smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](C)C[C@H](O)CN(C)[C@H]1CC1(C)C ZINC000572420255 398142455 /nfs/dbraw/zinc/14/24/55/398142455.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 1 244.379 0.656 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC1(C)C ZINC000572420255 398142458 /nfs/dbraw/zinc/14/24/58/398142458.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 1 244.379 0.656 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CC1(C)C ZINC000572420256 398142623 /nfs/dbraw/zinc/14/26/23/398142623.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 1 244.379 0.656 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CC1(C)C ZINC000572420256 398142625 /nfs/dbraw/zinc/14/26/25/398142625.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 1 244.379 0.656 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000044761254 168321943 /nfs/dbraw/zinc/32/19/43/168321943.db2.gz PMXPKSMHPQCFFG-UHFFFAOYSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@]1(C[N@@H+](CCCO)C2CC2)CC[NH2+]C1 ZINC000379468278 398147039 /nfs/dbraw/zinc/14/70/39/398147039.db2.gz ZIDBXDPVNYLRAW-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP CC[C@@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000336768982 187323145 /nfs/dbraw/zinc/32/31/45/187323145.db2.gz REPAYSLQNAMSGE-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000063166303 349501021 /nfs/dbraw/zinc/50/10/21/349501021.db2.gz RLZMCJSZPNRJIS-VIFPVBQESA-N 2 1 214.309 0.479 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1C ZINC000649333343 398149638 /nfs/dbraw/zinc/14/96/38/398149638.db2.gz NQNHGZLCUPKNKP-JCIQBVFBSA-N 2 1 237.347 0.051 20 0 BCADMP COC[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000389980044 398154820 /nfs/dbraw/zinc/15/48/20/398154820.db2.gz IAJMJMHSFMYLDI-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341524 398157562 /nfs/dbraw/zinc/15/75/62/398157562.db2.gz DKZSJFLXDQPWSM-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP [NH3+]Cc1noc(C[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000647160020 398173420 /nfs/dbraw/zinc/17/34/20/398173420.db2.gz ARSCBXVGQIRCHQ-YUMQZZPRSA-N 2 1 210.281 0.588 20 0 BCADMP c1[nH]nnc1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177741 /nfs/dbraw/zinc/17/77/41/398177741.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 1 249.362 0.765 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348653 398162579 /nfs/dbraw/zinc/16/25/79/398162579.db2.gz PXGIMJUDZMXHSG-NELYUFSOSA-N 2 1 249.358 0.336 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000576237579 365533440 /nfs/dbraw/zinc/53/34/40/365533440.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000576237579 365533448 /nfs/dbraw/zinc/53/34/48/365533448.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000576237579 365533456 /nfs/dbraw/zinc/53/34/56/365533456.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000576237579 365533462 /nfs/dbraw/zinc/53/34/62/365533462.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000647807491 398216649 /nfs/dbraw/zinc/21/66/49/398216649.db2.gz CLCSMRMTGYHJPE-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP Cn1cc(C[C@H]2CC[N@@H+](CCC[NH3+])C2)cn1 ZINC000649414262 398212914 /nfs/dbraw/zinc/21/29/14/398212914.db2.gz OZLONYFVTRONBL-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000386841602 398221143 /nfs/dbraw/zinc/22/11/43/398221143.db2.gz AZNNXYOLZSAROI-UWVGGRQHSA-N 2 1 212.337 0.972 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000576411358 365589522 /nfs/dbraw/zinc/58/95/22/365589522.db2.gz DVGOOVIVNVHUHG-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000381073504 398223112 /nfs/dbraw/zinc/22/31/12/398223112.db2.gz PAYAUSQXPDNPRO-NEPJUHHUSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563907 398227598 /nfs/dbraw/zinc/22/75/98/398227598.db2.gz XYRDOUNNWFLZOS-GXSJLCMTSA-N 2 1 248.392 0.384 20 0 BCADMP C[C@H](CNC(=O)CC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430764796 398231103 /nfs/dbraw/zinc/23/11/03/398231103.db2.gz TWULJYSJZVTCOI-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCC1 ZINC000629951139 361796177 /nfs/dbraw/zinc/79/61/77/361796177.db2.gz PTUOQIZPIPDOMG-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000629951139 361796185 /nfs/dbraw/zinc/79/61/85/361796185.db2.gz PTUOQIZPIPDOMG-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000629951139 361796189 /nfs/dbraw/zinc/79/61/89/361796189.db2.gz PTUOQIZPIPDOMG-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000576466257 365603713 /nfs/dbraw/zinc/60/37/13/365603713.db2.gz JPBDVIOOZMQCRH-APPZFPTMSA-N 2 1 247.289 0.192 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000175839058 365604656 /nfs/dbraw/zinc/60/46/56/365604656.db2.gz QJSNZAMZVIVZBZ-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000175839058 365604662 /nfs/dbraw/zinc/60/46/62/365604662.db2.gz QJSNZAMZVIVZBZ-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP C[N@H+](CC(=O)NC(C)(C)C)CC1CC[NH2+]CC1 ZINC000094024300 398244056 /nfs/dbraw/zinc/24/40/56/398244056.db2.gz JKWSWPNPJWHKIN-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000576519721 365616150 /nfs/dbraw/zinc/61/61/50/365616150.db2.gz FXNYITFFBMHSPI-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000669528889 488176598 /nfs/dbraw/zinc/17/65/98/488176598.db2.gz PPVRYQHALLWSKT-QXEWZRGKSA-N 2 1 240.351 0.116 20 0 BCADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000576585245 365632261 /nfs/dbraw/zinc/63/22/61/365632261.db2.gz RWZQQEFOLJKXHV-ZJUUUORDSA-N 2 1 243.376 0.297 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381603459 398254286 /nfs/dbraw/zinc/25/42/86/398254286.db2.gz OVTDLFWDNXOODW-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220011758 136230511 /nfs/dbraw/zinc/23/05/11/136230511.db2.gz SJWXHBNEDOMPSW-NSHDSACASA-N 2 1 241.379 0.690 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000036192255 398257453 /nfs/dbraw/zinc/25/74/53/398257453.db2.gz JKBNOCBCFMMYCB-SNVBAGLBSA-N 2 1 243.376 0.202 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418484663 192040026 /nfs/dbraw/zinc/04/00/26/192040026.db2.gz GSJKHKZUWHZQPN-GARJFASQSA-N 2 1 242.367 0.315 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335131336 398280978 /nfs/dbraw/zinc/28/09/78/398280978.db2.gz UCZRAVLEEYQYDR-RYUDHWBXSA-N 2 1 237.347 0.150 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335131336 398280981 /nfs/dbraw/zinc/28/09/81/398280981.db2.gz UCZRAVLEEYQYDR-RYUDHWBXSA-N 2 1 237.347 0.150 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249231 168382616 /nfs/dbraw/zinc/38/26/16/168382616.db2.gz VHPJFKUYPFOHGJ-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249231 168382618 /nfs/dbraw/zinc/38/26/18/168382618.db2.gz VHPJFKUYPFOHGJ-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742430 342746035 /nfs/dbraw/zinc/74/60/35/342746035.db2.gz DZAVOMHXKHOWIH-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP COCC[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649484715 398281632 /nfs/dbraw/zinc/28/16/32/398281632.db2.gz JRRXFQYENURKNR-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP COCC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649484715 398281635 /nfs/dbraw/zinc/28/16/35/398281635.db2.gz JRRXFQYENURKNR-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000605331992 342752824 /nfs/dbraw/zinc/75/28/24/342752824.db2.gz WPPWSHBSKIJTDQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000605331992 342752825 /nfs/dbraw/zinc/75/28/25/342752825.db2.gz WPPWSHBSKIJTDQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000605331992 342752827 /nfs/dbraw/zinc/75/28/27/342752827.db2.gz WPPWSHBSKIJTDQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000630007090 361891587 /nfs/dbraw/zinc/89/15/87/361891587.db2.gz AOGFIIQTJXJRTC-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC000630007090 361891589 /nfs/dbraw/zinc/89/15/89/361891589.db2.gz AOGFIIQTJXJRTC-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000630007090 361891598 /nfs/dbraw/zinc/89/15/98/361891598.db2.gz AOGFIIQTJXJRTC-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438631 398288182 /nfs/dbraw/zinc/28/81/82/398288182.db2.gz TUYJVEMXPNLSOC-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680781 342818608 /nfs/dbraw/zinc/81/86/08/342818608.db2.gz MJQFWWKVBSWFGS-GFCCVEGCSA-N 2 1 221.304 0.290 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000335464743 398289780 /nfs/dbraw/zinc/28/97/80/398289780.db2.gz METUWCLVXVMRKB-GHMZBOCLSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164350 398294111 /nfs/dbraw/zinc/29/41/11/398294111.db2.gz WVTWMOCBLLQVCN-FGNRJIRKSA-N 2 1 239.363 0.855 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418522497 192047220 /nfs/dbraw/zinc/04/72/20/192047220.db2.gz JFXRIWFTBOXIQR-MXWKQRLJSA-N 2 1 242.367 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC(C)(C)C1)C1CC1 ZINC000382036101 539008306 /nfs/dbraw/zinc/00/83/06/539008306.db2.gz GKQWNOPOXMKHDK-NSHDSACASA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883466 398299194 /nfs/dbraw/zinc/29/91/94/398299194.db2.gz WKNQLZXQSGSYFI-GXSJLCMTSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000625081967 342850073 /nfs/dbraw/zinc/85/00/73/342850073.db2.gz VSCGNDLBOUHEJB-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCOCC1CC1 ZINC000583999486 342866197 /nfs/dbraw/zinc/86/61/97/342866197.db2.gz LMRVOWSKTJGBEG-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCOCC1CC1 ZINC000583999486 342866198 /nfs/dbraw/zinc/86/61/98/342866198.db2.gz LMRVOWSKTJGBEG-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000300359271 259326977 /nfs/dbraw/zinc/32/69/77/259326977.db2.gz IIQVLAGHDAFYGW-HBNTYKKESA-N 2 1 225.336 0.195 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000639489102 398316980 /nfs/dbraw/zinc/31/69/80/398316980.db2.gz MZTNGMPZFNJAIP-GFCCVEGCSA-N 2 1 234.347 0.903 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cnccn2)C1 ZINC000639489102 398316982 /nfs/dbraw/zinc/31/69/82/398316982.db2.gz MZTNGMPZFNJAIP-GFCCVEGCSA-N 2 1 234.347 0.903 20 0 BCADMP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[N@@H+](C)C1CC1 ZINC000167339724 136245467 /nfs/dbraw/zinc/24/54/67/136245467.db2.gz ALRLVBSBMRAOPZ-JTQLQIEISA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418556563 192050286 /nfs/dbraw/zinc/05/02/86/192050286.db2.gz AOEYGZXBPTYHDF-NSHDSACASA-N 2 1 242.367 0.459 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474769 136245933 /nfs/dbraw/zinc/24/59/33/136245933.db2.gz GRZDOUNXLITWFK-GWNIPJSYSA-N 2 1 249.358 0.419 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023801 342916334 /nfs/dbraw/zinc/91/63/34/342916334.db2.gz SZPAPAYGOCOIHD-IVZWLZJFSA-N 2 1 211.309 0.077 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000418583830 192053570 /nfs/dbraw/zinc/05/35/70/192053570.db2.gz ATXJBCXALGQJGT-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP CC(C)([NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392940437 398336322 /nfs/dbraw/zinc/33/63/22/398336322.db2.gz ZWHQKBGHOBYJLI-UHFFFAOYSA-N 2 1 225.336 0.492 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000561159717 398337959 /nfs/dbraw/zinc/33/79/59/398337959.db2.gz YDMFKNZPHHJJTH-UHFFFAOYSA-N 2 1 244.383 0.709 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccncc1 ZINC000037632037 398333324 /nfs/dbraw/zinc/33/33/24/398333324.db2.gz HNFRKQJVASCQRO-UHFFFAOYSA-N 2 1 234.347 0.419 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000580309948 346890031 /nfs/dbraw/zinc/89/00/31/346890031.db2.gz UWBXUJHZZUWHAV-IUCAKERBSA-N 2 1 249.305 0.203 20 0 BCADMP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904465 398335190 /nfs/dbraw/zinc/33/51/90/398335190.db2.gz QILUGIKPGFAOMH-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904463 398335213 /nfs/dbraw/zinc/33/52/13/398335213.db2.gz QILUGIKPGFAOMH-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308676 398340610 /nfs/dbraw/zinc/34/06/10/398340610.db2.gz KSRCJIBGGUUIIQ-QWRGUYRKSA-N 3 1 215.341 0.021 20 0 BCADMP CC[C@H]1CN(CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308676 398340611 /nfs/dbraw/zinc/34/06/11/398340611.db2.gz KSRCJIBGGUUIIQ-QWRGUYRKSA-N 2 1 215.341 0.021 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351770213 136253179 /nfs/dbraw/zinc/25/31/79/136253179.db2.gz NMNSMVAJJAAQKI-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CSC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000580314452 346897013 /nfs/dbraw/zinc/89/70/13/346897013.db2.gz SQMSBNYJMSNCSP-ZYHUDNBSSA-N 2 1 244.404 0.784 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351770214 136253224 /nfs/dbraw/zinc/25/32/24/136253224.db2.gz NMNSMVAJJAAQKI-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351770211 136253227 /nfs/dbraw/zinc/25/32/27/136253227.db2.gz NMNSMVAJJAAQKI-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000354574509 187209909 /nfs/dbraw/zinc/20/99/09/187209909.db2.gz GYHKJHGXKHWBOL-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359298651 187216224 /nfs/dbraw/zinc/21/62/24/187216224.db2.gz FOSQTHAGOSQFIC-GRYCIOLGSA-N 2 1 237.347 0.147 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044808427 343008112 /nfs/dbraw/zinc/00/81/12/343008112.db2.gz NRELEFTYOFIPFP-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)Cc1nncn1C ZINC000162609090 349767152 /nfs/dbraw/zinc/76/71/52/349767152.db2.gz HRMYAYNIOSHMPM-UHFFFAOYSA-N 2 1 248.334 0.842 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000309204387 259342472 /nfs/dbraw/zinc/34/24/72/259342472.db2.gz CCWBQBPEZASQNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000309204387 259342474 /nfs/dbraw/zinc/34/24/74/259342474.db2.gz CCWBQBPEZASQNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000309204387 259342476 /nfs/dbraw/zinc/34/24/76/259342476.db2.gz CCWBQBPEZASQNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000309204387 259342477 /nfs/dbraw/zinc/34/24/77/259342477.db2.gz CCWBQBPEZASQNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373054360 187223087 /nfs/dbraw/zinc/22/30/87/187223087.db2.gz VSDPKSBJGHDNJE-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121164195 187223096 /nfs/dbraw/zinc/22/30/96/187223096.db2.gz ZSVLRJALUKTRIU-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121164195 187223099 /nfs/dbraw/zinc/22/30/99/187223099.db2.gz ZSVLRJALUKTRIU-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000576823098 365695206 /nfs/dbraw/zinc/69/52/06/365695206.db2.gz NNVYWJDSEFXOBT-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000235718250 343058258 /nfs/dbraw/zinc/05/82/58/343058258.db2.gz HZPKOHUSEQDRML-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000235718250 343058259 /nfs/dbraw/zinc/05/82/59/343058259.db2.gz HZPKOHUSEQDRML-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC000576942144 365728480 /nfs/dbraw/zinc/72/84/80/365728480.db2.gz XXCNXCIZVACDEG-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP Cn1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000124721142 343164524 /nfs/dbraw/zinc/16/45/24/343164524.db2.gz UMHOIRHBZGHHCA-ZJUUUORDSA-N 2 1 208.309 0.780 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000129080916 343176184 /nfs/dbraw/zinc/17/61/84/343176184.db2.gz XPYQBTPMGIMFMN-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634683661 343205264 /nfs/dbraw/zinc/20/52/64/343205264.db2.gz WUGILWMRRZUZIA-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634683661 343205267 /nfs/dbraw/zinc/20/52/67/343205267.db2.gz WUGILWMRRZUZIA-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000163553490 343206864 /nfs/dbraw/zinc/20/68/64/343206864.db2.gz ZTRNBBWYRMZPQO-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037681 343226926 /nfs/dbraw/zinc/22/69/26/343226926.db2.gz VJPLVOXMAQXPOK-TUAOUCFPSA-N 3 1 209.337 0.137 20 0 BCADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037681 343226928 /nfs/dbraw/zinc/22/69/28/343226928.db2.gz VJPLVOXMAQXPOK-TUAOUCFPSA-N 3 1 209.337 0.137 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091217 136284382 /nfs/dbraw/zinc/28/43/82/136284382.db2.gz SXHIALZJKHAQMU-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)NC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000047944614 136277213 /nfs/dbraw/zinc/27/72/13/136277213.db2.gz MWMJECFTIVHRQA-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217558892 136277811 /nfs/dbraw/zinc/27/78/11/136277811.db2.gz KDUOHLRORJAKJP-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217558892 136277812 /nfs/dbraw/zinc/27/78/12/136277812.db2.gz KDUOHLRORJAKJP-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@H+](Cc1cccc2ncccc12)C[C@H](O)C[NH3+] ZINC000634687863 343245101 /nfs/dbraw/zinc/24/51/01/343245101.db2.gz BLNHRKVNPZYALG-GFCCVEGCSA-N 2 1 245.326 0.986 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000634687982 343245532 /nfs/dbraw/zinc/24/55/32/343245532.db2.gz FAFMVBQHLRDRBQ-WCQYABFASA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000634687982 343245536 /nfs/dbraw/zinc/24/55/36/343245536.db2.gz FAFMVBQHLRDRBQ-WCQYABFASA-N 2 1 234.347 0.776 20 0 BCADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000634688008 343245878 /nfs/dbraw/zinc/24/58/78/343245878.db2.gz FICKOOAVIZZABF-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908625 343327574 /nfs/dbraw/zinc/32/75/74/343327574.db2.gz KDHJJDXICLPTGG-LMLFDSFASA-N 2 1 200.326 0.686 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613224 136295720 /nfs/dbraw/zinc/29/57/20/136295720.db2.gz TWICHOCDOZZTIA-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613222 136295769 /nfs/dbraw/zinc/29/57/69/136295769.db2.gz TWICHOCDOZZTIA-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000037887207 187253674 /nfs/dbraw/zinc/25/36/74/187253674.db2.gz CZYMHFHLJDNFLP-GHMZBOCLSA-N 2 1 202.342 0.933 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373560 343316707 /nfs/dbraw/zinc/31/67/07/343316707.db2.gz KUWWGSKRVVDUBZ-UPJWGTAASA-N 2 1 244.379 0.249 20 0 BCADMP Cc1nn(C)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401801830 343375866 /nfs/dbraw/zinc/37/58/66/343375866.db2.gz NNSRRWCYFWVUMG-UHFFFAOYSA-N 2 1 233.319 0.794 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000037691448 343351182 /nfs/dbraw/zinc/35/11/82/343351182.db2.gz OAKDXCMEIBKEFE-VXGBXAGGSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000166230468 136315642 /nfs/dbraw/zinc/31/56/42/136315642.db2.gz ADQPXUTWIRFGTN-CYBMUJFWSA-N 2 1 225.380 0.870 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166230812 136315750 /nfs/dbraw/zinc/31/57/50/136315750.db2.gz YHYUMLOTWXLBHV-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000166235081 136316262 /nfs/dbraw/zinc/31/62/62/136316262.db2.gz QKHDOPJEKSNHDZ-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000166235081 136316263 /nfs/dbraw/zinc/31/62/63/136316263.db2.gz QKHDOPJEKSNHDZ-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000349079177 136322599 /nfs/dbraw/zinc/32/25/99/136322599.db2.gz ISFMAYROMXRPKP-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C ZINC000310312004 343423878 /nfs/dbraw/zinc/42/38/78/343423878.db2.gz WRBAZEGKNNTMFR-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C ZINC000310312004 343423882 /nfs/dbraw/zinc/42/38/82/343423882.db2.gz WRBAZEGKNNTMFR-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000310312005 343424127 /nfs/dbraw/zinc/42/41/27/343424127.db2.gz WRBAZEGKNNTMFR-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000310312005 343424128 /nfs/dbraw/zinc/42/41/28/343424128.db2.gz WRBAZEGKNNTMFR-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000082419859 343440472 /nfs/dbraw/zinc/44/04/72/343440472.db2.gz RJZNSPMAGCBQSP-LBPRGKRZSA-N 2 1 212.337 0.954 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000335683024 136329228 /nfs/dbraw/zinc/32/92/28/136329228.db2.gz PQRGKXSGFCOMDX-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000335683024 136329229 /nfs/dbraw/zinc/32/92/29/136329229.db2.gz PQRGKXSGFCOMDX-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000310389029 343469955 /nfs/dbraw/zinc/46/99/55/343469955.db2.gz KQEFSVGEGNQTPK-UTUOFQBUSA-N 2 1 242.363 0.191 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000310389029 343469956 /nfs/dbraw/zinc/46/99/56/343469956.db2.gz KQEFSVGEGNQTPK-UTUOFQBUSA-N 2 1 242.363 0.191 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000083961264 343511506 /nfs/dbraw/zinc/51/15/06/343511506.db2.gz DHJDALCJSFFJGK-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP NC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000078716434 343512005 /nfs/dbraw/zinc/51/20/05/343512005.db2.gz NBSVJRXPZHEEES-UHFFFAOYSA-N 2 1 240.351 0.505 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000310490054 343515036 /nfs/dbraw/zinc/51/50/36/343515036.db2.gz FTJCQIUIIDYLIM-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000310490054 343515039 /nfs/dbraw/zinc/51/50/39/343515039.db2.gz FTJCQIUIIDYLIM-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000310490054 343515043 /nfs/dbraw/zinc/51/50/43/343515043.db2.gz FTJCQIUIIDYLIM-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618189541 343528899 /nfs/dbraw/zinc/52/88/99/343528899.db2.gz MPXCBQDDNBVXPM-UHFFFAOYSA-N 2 1 236.319 0.212 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC1([NH+](C)C)CC1 ZINC000622721592 343574517 /nfs/dbraw/zinc/57/45/17/343574517.db2.gz YLVCAVWGSGQGAN-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000618190749 343557138 /nfs/dbraw/zinc/55/71/38/343557138.db2.gz DWWIGIYKGHPMTK-LBPRGKRZSA-N 2 1 239.363 0.491 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152478321 343557694 /nfs/dbraw/zinc/55/76/94/343557694.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152478321 343557695 /nfs/dbraw/zinc/55/76/95/343557695.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152478321 343557696 /nfs/dbraw/zinc/55/76/96/343557696.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000086068911 343609496 /nfs/dbraw/zinc/60/94/96/343609496.db2.gz ZNWDRCSIZMYHPB-VIFPVBQESA-N 2 1 213.325 0.052 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399089756 488227137 /nfs/dbraw/zinc/22/71/37/488227137.db2.gz WAKFPZNNVJBETD-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000380004299 365795041 /nfs/dbraw/zinc/79/50/41/365795041.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000380004299 365795047 /nfs/dbraw/zinc/79/50/47/365795047.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000380004299 365795057 /nfs/dbraw/zinc/79/50/57/365795057.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@](C)([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641166652 362250164 /nfs/dbraw/zinc/25/01/64/362250164.db2.gz XBZYKMXYSVLWNM-LBPRGKRZSA-N 2 1 246.318 0.888 20 0 BCADMP CC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000088050140 343698981 /nfs/dbraw/zinc/69/89/81/343698981.db2.gz RPXXHWHEJLTBNB-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP CCCCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088329839 343723066 /nfs/dbraw/zinc/72/30/66/343723066.db2.gz DUICHIIQLGALHJ-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP CSC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000187887045 259370243 /nfs/dbraw/zinc/37/02/43/259370243.db2.gz BHEZZKZUUNKIRS-LLVKDONJSA-N 2 1 232.393 0.736 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418727626 192065644 /nfs/dbraw/zinc/06/56/44/192065644.db2.gz MNIRVVMTOYMCAC-LLVKDONJSA-N 2 1 240.351 0.285 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135288 537811727 /nfs/dbraw/zinc/81/17/27/537811727.db2.gz XIDLQNMHUXSTNO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135288 537811734 /nfs/dbraw/zinc/81/17/34/537811734.db2.gz XIDLQNMHUXSTNO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248135288 537811739 /nfs/dbraw/zinc/81/17/39/537811739.db2.gz XIDLQNMHUXSTNO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248135288 537811744 /nfs/dbraw/zinc/81/17/44/537811744.db2.gz XIDLQNMHUXSTNO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261651731 349854518 /nfs/dbraw/zinc/85/45/18/349854518.db2.gz HIVPROXZAQFOSF-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CSC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000187887015 259370361 /nfs/dbraw/zinc/37/03/61/259370361.db2.gz BHEZZKZUUNKIRS-NSHDSACASA-N 2 1 232.393 0.736 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CSC)C1 ZINC000187923543 259371087 /nfs/dbraw/zinc/37/10/87/259371087.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000187923543 259371088 /nfs/dbraw/zinc/37/10/88/259371088.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000187923543 259371089 /nfs/dbraw/zinc/37/10/89/259371089.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000381044628 343886103 /nfs/dbraw/zinc/88/61/03/343886103.db2.gz GVCPYUCEAUAMPV-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000381044628 343886104 /nfs/dbraw/zinc/88/61/04/343886104.db2.gz GVCPYUCEAUAMPV-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000381044628 343886106 /nfs/dbraw/zinc/88/61/06/343886106.db2.gz GVCPYUCEAUAMPV-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906119 187356673 /nfs/dbraw/zinc/35/66/73/187356673.db2.gz WTKKQLKHCXIXRH-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635788 323065512 /nfs/dbraw/zinc/06/55/12/323065512.db2.gz WKMILBXVHYCZEJ-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733749 344113837 /nfs/dbraw/zinc/11/38/37/344113837.db2.gz MUNPLJPMZNVAEF-RQJABVFESA-N 2 1 237.391 0.964 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842174 344093977 /nfs/dbraw/zinc/09/39/77/344093977.db2.gz ZDSLXQZPEFLAON-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842174 344093978 /nfs/dbraw/zinc/09/39/78/344093978.db2.gz ZDSLXQZPEFLAON-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000130332291 344130920 /nfs/dbraw/zinc/13/09/20/344130920.db2.gz HMZYIDYEKRSSII-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000130356302 344133139 /nfs/dbraw/zinc/13/31/39/344133139.db2.gz YUSDQYLSNVRRIO-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC)C1 ZINC000130575487 344149254 /nfs/dbraw/zinc/14/92/54/344149254.db2.gz LXDIVPNLXRVOGA-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP COCC[N@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000309967571 344153528 /nfs/dbraw/zinc/15/35/28/344153528.db2.gz ODAJMUWKSAIDIH-UHFFFAOYSA-N 2 1 226.324 0.468 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000309967571 344153530 /nfs/dbraw/zinc/15/35/30/344153530.db2.gz ODAJMUWKSAIDIH-UHFFFAOYSA-N 2 1 226.324 0.468 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)O1 ZINC000384894149 344216187 /nfs/dbraw/zinc/21/61/87/344216187.db2.gz LRIXFAKSUCRVMN-DNIRFERGSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)O1 ZINC000384894149 344216190 /nfs/dbraw/zinc/21/61/90/344216190.db2.gz LRIXFAKSUCRVMN-DNIRFERGSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)O1 ZINC000384894149 344216191 /nfs/dbraw/zinc/21/61/91/344216191.db2.gz LRIXFAKSUCRVMN-DNIRFERGSA-N 2 1 242.363 0.597 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236648618 187290154 /nfs/dbraw/zinc/29/01/54/187290154.db2.gz UKFGNLPOTPNXHW-FOSCPWQOSA-N 2 1 239.363 0.726 20 0 BCADMP Cn1cncc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000569550071 344310652 /nfs/dbraw/zinc/31/06/52/344310652.db2.gz PZRRPZSQINRQMO-UHFFFAOYSA-N 2 1 222.336 0.946 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+](C)CCOCC[NH3+] ZINC000600742299 344367587 /nfs/dbraw/zinc/36/75/87/344367587.db2.gz UOCSZMPLAZZLRO-JTQLQIEISA-N 2 1 232.324 0.235 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+](C)CCOCC[NH3+] ZINC000600742299 344367589 /nfs/dbraw/zinc/36/75/89/344367589.db2.gz UOCSZMPLAZZLRO-JTQLQIEISA-N 2 1 232.324 0.235 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000600706305 344360475 /nfs/dbraw/zinc/36/04/75/344360475.db2.gz UEZKHXYKBLCNQS-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000132466047 344303161 /nfs/dbraw/zinc/30/31/61/344303161.db2.gz VYZOMKQLDFAXDU-WAAKLRNESA-N 2 1 212.337 0.972 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000236825463 344406562 /nfs/dbraw/zinc/40/65/62/344406562.db2.gz UQBTUWQDXKRJRK-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132445893 344460040 /nfs/dbraw/zinc/46/00/40/344460040.db2.gz GCYWPJUNKJSZJX-SKDRFNHKSA-N 2 1 249.314 0.255 20 0 BCADMP O=C([C@H]1CCCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812578 344590683 /nfs/dbraw/zinc/59/06/83/344590683.db2.gz RTISIMNQMCYPQL-VXGBXAGGSA-N 2 1 237.347 0.435 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827007 344593614 /nfs/dbraw/zinc/59/36/14/344593614.db2.gz ZJXJNZIIODZNPF-ZYHUDNBSSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000309416085 347057500 /nfs/dbraw/zinc/05/75/00/347057500.db2.gz WDLAIRPAZPGQJF-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641426707 362410780 /nfs/dbraw/zinc/41/07/80/362410780.db2.gz VWPFKUJCPZJMEG-NSHDSACASA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000237066812 344587764 /nfs/dbraw/zinc/58/77/64/344587764.db2.gz UQBTUWQDXKRJRK-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000237066789 344588198 /nfs/dbraw/zinc/58/81/98/344588198.db2.gz DUTULJCKJDZMPU-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464905 347069107 /nfs/dbraw/zinc/06/91/07/347069107.db2.gz PTDCCCMWGCWDMM-JQWIXIFHSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038864 344688192 /nfs/dbraw/zinc/68/81/92/344688192.db2.gz GCKJIYRTKKYSLH-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088896 537871583 /nfs/dbraw/zinc/87/15/83/537871583.db2.gz DSCHOTQXZYPWIS-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)on1 ZINC000631113516 344923219 /nfs/dbraw/zinc/92/32/19/344923219.db2.gz YQSLXGHAZHHEDD-NSHDSACASA-N 2 1 225.292 0.139 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000153738664 344962879 /nfs/dbraw/zinc/96/28/79/344962879.db2.gz GHEGNJIMUAOFSF-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP CC[C@H]1C[N@@H+](CCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000122747171 344972165 /nfs/dbraw/zinc/97/21/65/344972165.db2.gz XFVUEFFJHRIPDN-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CC[N@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000583448661 344995011 /nfs/dbraw/zinc/99/50/11/344995011.db2.gz KJRGHLBMZBXNTC-UHFFFAOYSA-N 2 1 224.308 0.160 20 0 BCADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000583448661 344995015 /nfs/dbraw/zinc/99/50/15/344995015.db2.gz KJRGHLBMZBXNTC-UHFFFAOYSA-N 2 1 224.308 0.160 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887291 187299270 /nfs/dbraw/zinc/29/92/70/187299270.db2.gz LAFXKLUNCKENMC-ZDUSSCGKSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000310450674 259382472 /nfs/dbraw/zinc/38/24/72/259382472.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000310450674 259382474 /nfs/dbraw/zinc/38/24/74/259382474.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](COC)C1 ZINC000310450674 259382476 /nfs/dbraw/zinc/38/24/76/259382476.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP C[N@@H+](C[C@H](O)CNC1CC[NH+](C)CC1)C1CC1 ZINC000310430732 259382516 /nfs/dbraw/zinc/38/25/16/259382516.db2.gz SPVPHGLQGPEFSJ-CYBMUJFWSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634990845 345173137 /nfs/dbraw/zinc/17/31/37/345173137.db2.gz FOIWMWPUTKSKDD-RYUDHWBXSA-N 3 1 213.369 0.759 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634990845 345173139 /nfs/dbraw/zinc/17/31/39/345173139.db2.gz FOIWMWPUTKSKDD-RYUDHWBXSA-N 3 1 213.369 0.759 20 0 BCADMP C[C@@H]1[C@H](C)N(CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000634994672 345182426 /nfs/dbraw/zinc/18/24/26/345182426.db2.gz KDKNRBPSYMVLAW-IALDZJHCSA-N 2 1 223.364 0.763 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000634995744 345185282 /nfs/dbraw/zinc/18/52/82/345185282.db2.gz NRJJWCLRTCHLGZ-GRYCIOLGSA-N 3 1 213.369 0.947 20 0 BCADMP C[C@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCO1 ZINC000634996070 345186551 /nfs/dbraw/zinc/18/65/51/345186551.db2.gz YOHKDEALVLJZKU-MOENNCHZSA-N 2 1 210.321 0.897 20 0 BCADMP CNC(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156145689 345128318 /nfs/dbraw/zinc/12/83/18/345128318.db2.gz AULLIQPVKISPNQ-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C([N@@H+]1CC[C@@H]2OCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996196 345187542 /nfs/dbraw/zinc/18/75/42/345187542.db2.gz CKCOVXXVQZBDKC-QBHFIFKDSA-N 2 1 222.332 0.849 20 0 BCADMP C([N@H+]1CC[C@@H]2OCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996196 345187546 /nfs/dbraw/zinc/18/75/46/345187546.db2.gz CKCOVXXVQZBDKC-QBHFIFKDSA-N 2 1 222.332 0.849 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996166 345187769 /nfs/dbraw/zinc/18/77/69/345187769.db2.gz BJRAVQHHJLSCCB-YNEHKIRRSA-N 3 1 243.395 0.513 20 0 BCADMP CCO[C@@H]1CN(C[C@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996166 345187770 /nfs/dbraw/zinc/18/77/70/345187770.db2.gz BJRAVQHHJLSCCB-YNEHKIRRSA-N 2 1 243.395 0.513 20 0 BCADMP C[NH+](C)CC1(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000635057452 345231553 /nfs/dbraw/zinc/23/15/53/345231553.db2.gz XWXAYGOFUVHRFE-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+](C)C ZINC000635068886 345237614 /nfs/dbraw/zinc/23/76/14/345237614.db2.gz MOWYPMPQLQPFSS-UHFFFAOYSA-N 2 1 238.335 0.684 20 0 BCADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000635078300 345242779 /nfs/dbraw/zinc/24/27/79/345242779.db2.gz QQNMKGDSOBREAO-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP COC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475023 345253108 /nfs/dbraw/zinc/25/31/08/345253108.db2.gz JROZEBMGFYUWAD-MRVPVSSYSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@]1(CO)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994268 345192916 /nfs/dbraw/zinc/19/29/16/345192916.db2.gz XKZOXVMAJIYBET-MOENNCHZSA-N 2 1 210.321 0.585 20 0 BCADMP C[C@]1(CO)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994268 345192917 /nfs/dbraw/zinc/19/29/17/345192917.db2.gz XKZOXVMAJIYBET-MOENNCHZSA-N 2 1 210.321 0.585 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnc3cnccn23)C[C@H]1C[NH3+] ZINC000634998073 345197275 /nfs/dbraw/zinc/19/72/75/345197275.db2.gz AHIGSBYOLPOPEF-GHMZBOCLSA-N 2 1 245.330 0.756 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@H]1C[NH3+] ZINC000634998073 345197277 /nfs/dbraw/zinc/19/72/77/345197277.db2.gz AHIGSBYOLPOPEF-GHMZBOCLSA-N 2 1 245.330 0.756 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999554 345199944 /nfs/dbraw/zinc/19/99/44/345199944.db2.gz WCJVOCGKHDEBHF-PSASIEDQSA-N 2 1 208.309 0.745 20 0 BCADMP C1C[C@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000157432563 345264227 /nfs/dbraw/zinc/26/42/27/345264227.db2.gz OMHPFRBJLVWDAJ-UTUOFQBUSA-N 2 1 209.337 0.565 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC1CC[NH2+]CC1 ZINC000577072096 365805183 /nfs/dbraw/zinc/80/51/83/365805183.db2.gz XUBBDMGKFFPWEK-UHFFFAOYSA-N 2 1 235.278 0.086 20 0 BCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000635255885 345288718 /nfs/dbraw/zinc/28/87/18/345288718.db2.gz YCUHWQDGPVPUAW-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000635255888 345288978 /nfs/dbraw/zinc/28/89/78/345288978.db2.gz YCUHWQDGPVPUAW-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132885220 345350623 /nfs/dbraw/zinc/35/06/23/345350623.db2.gz BLCJVGDLLZILSX-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N(C)C ZINC000168986253 345418374 /nfs/dbraw/zinc/41/83/74/345418374.db2.gz BSCIRPNBNUPIBX-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000082241807 345497797 /nfs/dbraw/zinc/49/77/97/345497797.db2.gz CIBLYKQFBCMEGR-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262842036 535000463 /nfs/dbraw/zinc/00/04/63/535000463.db2.gz JAWKHVDMRDSCLH-QWRGUYRKSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CO ZINC000196724654 345743497 /nfs/dbraw/zinc/74/34/97/345743497.db2.gz UADKQUVEIVBWKQ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CO ZINC000196724654 345743499 /nfs/dbraw/zinc/74/34/99/345743499.db2.gz UADKQUVEIVBWKQ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP COC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000082717628 345702031 /nfs/dbraw/zinc/70/20/31/345702031.db2.gz MZCKHKGJAKJJDT-UWVGGRQHSA-N 2 1 212.293 0.091 20 0 BCADMP C[NH+](C)CCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635561242 345764020 /nfs/dbraw/zinc/76/40/20/345764020.db2.gz QPXJLTFSKXWBEM-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+](C)CCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635561243 345764307 /nfs/dbraw/zinc/76/43/07/345764307.db2.gz QPXJLTFSKXWBEM-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000635601383 345888101 /nfs/dbraw/zinc/88/81/01/345888101.db2.gz ATOXWWMCQZGJID-UTUOFQBUSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635605418 345889598 /nfs/dbraw/zinc/88/95/98/345889598.db2.gz BQRXSRYVKLZASY-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391815 187311020 /nfs/dbraw/zinc/31/10/20/187311020.db2.gz JCURTFLEXLQYAX-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000635665107 345967637 /nfs/dbraw/zinc/96/76/37/345967637.db2.gz UZLRFSMLJGRFLJ-MXWKQRLJSA-N 2 1 239.363 0.678 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC2)C1 ZINC000635726003 346038198 /nfs/dbraw/zinc/03/81/98/346038198.db2.gz YZNHIOUADXWKHL-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000635807573 346072568 /nfs/dbraw/zinc/07/25/68/346072568.db2.gz NVZNBNRCAFSEQJ-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000051821954 346085570 /nfs/dbraw/zinc/08/55/70/346085570.db2.gz XWUXIIDLHNICHO-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635993836 346144091 /nfs/dbraw/zinc/14/40/91/346144091.db2.gz BKQCLFHNDOAUKW-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635993836 346144094 /nfs/dbraw/zinc/14/40/94/346144094.db2.gz BKQCLFHNDOAUKW-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429410433 192098069 /nfs/dbraw/zinc/09/80/69/192098069.db2.gz QTSGBTRSFPMBDD-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CCC1CC[NH+](Cc2nncn2C)CC1 ZINC000150286049 346169957 /nfs/dbraw/zinc/16/99/57/346169957.db2.gz GKBJFBNRPURTBF-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP C[C@H](c1nnnn1C)[NH+]1CCC(CC[NH3+])CC1 ZINC000563276152 323107439 /nfs/dbraw/zinc/10/74/39/323107439.db2.gz ZNMLXSMCHNRBKY-SECBINFHSA-N 2 1 238.339 0.332 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+](C)C ZINC000636008947 346151846 /nfs/dbraw/zinc/15/18/46/346151846.db2.gz GMYCTFBMCUVPQZ-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000381540107 346302174 /nfs/dbraw/zinc/30/21/74/346302174.db2.gz IIBHURLRDQRBEM-RYUDHWBXSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000381540107 346302177 /nfs/dbraw/zinc/30/21/77/346302177.db2.gz IIBHURLRDQRBEM-RYUDHWBXSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000636156675 346338820 /nfs/dbraw/zinc/33/88/20/346338820.db2.gz UYUTWYUQPXRERN-GHMZBOCLSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+](C)C ZINC000636272575 346374642 /nfs/dbraw/zinc/37/46/42/346374642.db2.gz OHAAFXJUFMTZKD-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360131 346432182 /nfs/dbraw/zinc/43/21/82/346432182.db2.gz UFPKXUKDCPAQTK-PWSUYJOCSA-N 2 1 225.336 0.339 20 0 BCADMP Cn1cncc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000641799965 362744471 /nfs/dbraw/zinc/74/44/71/362744471.db2.gz UAAMQRAFMDPDJU-UHFFFAOYSA-N 2 1 208.309 0.384 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@H](C)C[NH2+]1 ZINC000641798613 362745063 /nfs/dbraw/zinc/74/50/63/362745063.db2.gz KDUCSXRSMPZVJX-GHMZBOCLSA-N 2 1 222.336 0.645 20 0 BCADMP C[N@@H+](CCCN1CCOCC1)C1CC[NH2+]CC1 ZINC000215991715 349965732 /nfs/dbraw/zinc/96/57/32/349965732.db2.gz PBNWXWUZOPCCBU-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248942655 346462036 /nfs/dbraw/zinc/46/20/36/346462036.db2.gz AAWDSAKXXYMWMI-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641799068 362746262 /nfs/dbraw/zinc/74/62/62/362746262.db2.gz JERNODQMOAGLDC-TXEJJXNPSA-N 2 1 234.347 0.789 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cncn1C ZINC000641799325 362748337 /nfs/dbraw/zinc/74/83/37/362748337.db2.gz UJUQCSCQIKLWJC-LBPRGKRZSA-N 3 1 224.352 0.926 20 0 BCADMP CC(C)[C@H]1CN(CCc2c[nH+]cn2C)CC[NH2+]1 ZINC000641800171 362749827 /nfs/dbraw/zinc/74/98/27/362749827.db2.gz XTHCYTNUIGVXGN-CYBMUJFWSA-N 2 1 236.363 0.892 20 0 BCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801446 362755062 /nfs/dbraw/zinc/75/50/62/362755062.db2.gz QYNKEIRVIWRHBM-MNOVXSKESA-N 2 1 237.351 0.822 20 0 BCADMP c1n[nH]cc1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000641801959 362757971 /nfs/dbraw/zinc/75/79/71/362757971.db2.gz WMSSEOBKDJHLLY-NEPJUHHUSA-N 2 1 220.320 0.684 20 0 BCADMP C[C@@H]1CC[C@H](CN)[N@H+](CCOCC[NH3+])[C@H]1C ZINC000641805696 362760021 /nfs/dbraw/zinc/76/00/21/362760021.db2.gz GMLDLTWXYNVPCA-GRYCIOLGSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000641805696 362760025 /nfs/dbraw/zinc/76/00/25/362760025.db2.gz GMLDLTWXYNVPCA-GRYCIOLGSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOCC[NH3+])[C@H]1C ZINC000641805696 362760029 /nfs/dbraw/zinc/76/00/29/362760029.db2.gz GMLDLTWXYNVPCA-GRYCIOLGSA-N 3 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000641805696 362760033 /nfs/dbraw/zinc/76/00/33/362760033.db2.gz GMLDLTWXYNVPCA-GRYCIOLGSA-N 3 1 229.368 0.409 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807478 362766671 /nfs/dbraw/zinc/76/66/71/362766671.db2.gz URYWQWJQTLMZFA-AXFHLTTASA-N 2 1 241.379 0.863 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336559305 187369444 /nfs/dbraw/zinc/36/94/44/187369444.db2.gz DRJAFJLYVRGSSG-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000580644714 365832045 /nfs/dbraw/zinc/83/20/45/365832045.db2.gz VNLPYMORJZUUQN-GXSJLCMTSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+]1CC(C)C1 ZINC000577132230 365832265 /nfs/dbraw/zinc/83/22/65/365832265.db2.gz GOSSFNUYHWKMQA-LLVKDONJSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000580196504 346652082 /nfs/dbraw/zinc/65/20/82/346652082.db2.gz OKPREGFBGYYGIG-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000167322523 346705443 /nfs/dbraw/zinc/70/54/43/346705443.db2.gz DXMLAUDGRCPYCT-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580650418 365845305 /nfs/dbraw/zinc/84/53/05/365845305.db2.gz QMMALZARLGRCQH-LOWVWBTDSA-N 2 1 237.347 0.196 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037173268 346676864 /nfs/dbraw/zinc/67/68/64/346676864.db2.gz WIHWHIUXXVMMAL-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000352711299 187370421 /nfs/dbraw/zinc/37/04/21/187370421.db2.gz AKEYFXSZXCYMQK-LLVKDONJSA-N 2 1 244.383 0.576 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699016 346779850 /nfs/dbraw/zinc/77/98/50/346779850.db2.gz QIXFURBKYNCOHF-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699016 346779855 /nfs/dbraw/zinc/77/98/55/346779855.db2.gz QIXFURBKYNCOHF-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766810 346793094 /nfs/dbraw/zinc/79/30/94/346793094.db2.gz URQKOGYUTMWHSP-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000622004858 370655786 /nfs/dbraw/zinc/65/57/86/370655786.db2.gz VTRAFYPUHCJLTC-YPMHNXCESA-N 2 1 226.364 0.936 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331868 362799911 /nfs/dbraw/zinc/79/99/11/362799911.db2.gz OPKNAKVJRNXKJA-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC/C=C/C[NH3+] ZINC000641863058 362791814 /nfs/dbraw/zinc/79/18/14/362791814.db2.gz XBMLFYKQYPWZIW-ZWNMCFTASA-N 2 1 240.351 0.237 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCOC)CC(C)C ZINC000310572056 347295437 /nfs/dbraw/zinc/29/54/37/347295437.db2.gz ZLRZVVHYEUODQF-CYBMUJFWSA-N 2 1 246.395 0.903 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCOC)CC(C)C ZINC000310572056 347295441 /nfs/dbraw/zinc/29/54/41/347295441.db2.gz ZLRZVVHYEUODQF-CYBMUJFWSA-N 2 1 246.395 0.903 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCOC)CC(C)C ZINC000310572056 347295445 /nfs/dbraw/zinc/29/54/45/347295445.db2.gz ZLRZVVHYEUODQF-CYBMUJFWSA-N 2 1 246.395 0.903 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCOC)CC(C)C ZINC000310572056 347295448 /nfs/dbraw/zinc/29/54/48/347295448.db2.gz ZLRZVVHYEUODQF-CYBMUJFWSA-N 2 1 246.395 0.903 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310307303 347260763 /nfs/dbraw/zinc/26/07/63/347260763.db2.gz SAFWZIWLTPRPCN-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP CN(Cc1c[nH]cn1)C(=O)[C@@H]1CCCN1C ZINC000616925394 347455570 /nfs/dbraw/zinc/45/55/70/347455570.db2.gz GKVPZLUOBTUDER-JTQLQIEISA-N 2 1 222.292 0.462 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088050909 362841493 /nfs/dbraw/zinc/84/14/93/362841493.db2.gz HDGTZVQZNKDEDE-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000188166484 259395693 /nfs/dbraw/zinc/39/56/93/259395693.db2.gz CLBNEXDPHBMCRZ-LLVKDONJSA-N 2 1 243.376 0.929 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000082476689 347618400 /nfs/dbraw/zinc/61/84/00/347618400.db2.gz SCANZYUVVIHKNX-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343472274 133685842 /nfs/dbraw/zinc/68/58/42/133685842.db2.gz GGKKWPDFZFOQAH-RKDXNWHRSA-N 2 1 249.305 0.345 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000252882376 347670229 /nfs/dbraw/zinc/67/02/29/347670229.db2.gz ZJTBOPNSRAYPRX-GUBZILKMSA-N 2 1 225.336 0.323 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000308534949 347820841 /nfs/dbraw/zinc/82/08/41/347820841.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000308534949 347820844 /nfs/dbraw/zinc/82/08/44/347820844.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000308534949 347820846 /nfs/dbraw/zinc/82/08/46/347820846.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000308534949 347820849 /nfs/dbraw/zinc/82/08/49/347820849.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290231 365919458 /nfs/dbraw/zinc/91/94/58/365919458.db2.gz HILTYISVMWKSHN-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290231 365919462 /nfs/dbraw/zinc/91/94/62/365919462.db2.gz HILTYISVMWKSHN-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290231 365919477 /nfs/dbraw/zinc/91/94/77/365919477.db2.gz HILTYISVMWKSHN-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C(C)C ZINC000577317281 365925008 /nfs/dbraw/zinc/92/50/08/365925008.db2.gz VKNHYXLQKOZQAW-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C(C)C ZINC000577317281 365925013 /nfs/dbraw/zinc/92/50/13/365925013.db2.gz VKNHYXLQKOZQAW-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC000577317281 365925019 /nfs/dbraw/zinc/92/50/19/365925019.db2.gz VKNHYXLQKOZQAW-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC000577317281 365925024 /nfs/dbraw/zinc/92/50/24/365925024.db2.gz VKNHYXLQKOZQAW-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@@H+](CCn1nnnc1C[NH3+])Cc1ccccc1 ZINC000577370200 365936604 /nfs/dbraw/zinc/93/66/04/365936604.db2.gz ZAMWTXICIIVGRF-UHFFFAOYSA-N 2 1 246.318 0.264 20 0 BCADMP CC[NH+]1CCC(NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000038098248 348052915 /nfs/dbraw/zinc/05/29/15/348052915.db2.gz AZNZZRPRRNXWMW-JTQLQIEISA-N 2 1 243.376 0.249 20 0 BCADMP COC(=O)[C@](C)(CCF)[NH2+]CC1CC[NH2+]CC1 ZINC000594738200 348109863 /nfs/dbraw/zinc/10/98/63/348109863.db2.gz BQVXJGQWFRYPHV-LBPRGKRZSA-N 2 1 246.326 0.867 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC1 ZINC000594739305 348110313 /nfs/dbraw/zinc/11/03/13/348110313.db2.gz UINSNXBVYQERJP-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000669382312 538000121 /nfs/dbraw/zinc/00/01/21/538000121.db2.gz JTNDTOKMISEURP-VXGBXAGGSA-N 2 1 226.320 0.087 20 0 BCADMP CCc1nc(N2CC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000045954719 490158411 /nfs/dbraw/zinc/15/84/11/490158411.db2.gz DDQUNGOWVXTNSY-SECBINFHSA-N 2 1 206.293 0.885 20 0 BCADMP CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903543 348395409 /nfs/dbraw/zinc/39/54/09/348395409.db2.gz XYCZOJFDQANUNB-AXFHLTTASA-N 2 1 225.336 0.275 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000652350132 490190386 /nfs/dbraw/zinc/19/03/86/490190386.db2.gz HOGPFDXNGRNFOJ-AVGNSLFASA-N 2 1 223.364 0.657 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000054133589 348892251 /nfs/dbraw/zinc/89/22/51/348892251.db2.gz YTOKSCYTGFLGNL-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054074460 348889460 /nfs/dbraw/zinc/88/94/60/348889460.db2.gz DAKCGJDQNXMKIX-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+]CCCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420142208 192169321 /nfs/dbraw/zinc/16/93/21/192169321.db2.gz TYITXPNRRBXVOR-UHFFFAOYSA-N 2 1 246.318 0.992 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CC)CCCO ZINC000308897958 349056248 /nfs/dbraw/zinc/05/62/48/349056248.db2.gz ZZVIBRZYSQOTOI-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@@H+](C)CC ZINC000308897958 349056252 /nfs/dbraw/zinc/05/62/52/349056252.db2.gz ZZVIBRZYSQOTOI-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@H+](C)CC ZINC000308897958 349056255 /nfs/dbraw/zinc/05/62/55/349056255.db2.gz ZZVIBRZYSQOTOI-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCCO ZINC000308897958 349056259 /nfs/dbraw/zinc/05/62/59/349056259.db2.gz ZZVIBRZYSQOTOI-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCCO ZINC000308897958 349056264 /nfs/dbraw/zinc/05/62/64/349056264.db2.gz ZZVIBRZYSQOTOI-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CC)CCCO ZINC000308897959 349056596 /nfs/dbraw/zinc/05/65/96/349056596.db2.gz ZZVIBRZYSQOTOI-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@@H+](C)CC ZINC000308897959 349056599 /nfs/dbraw/zinc/05/65/99/349056599.db2.gz ZZVIBRZYSQOTOI-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@H+](C)CC ZINC000308897959 349056601 /nfs/dbraw/zinc/05/66/01/349056601.db2.gz ZZVIBRZYSQOTOI-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCCO ZINC000308897959 349056604 /nfs/dbraw/zinc/05/66/04/349056604.db2.gz ZZVIBRZYSQOTOI-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCCO ZINC000308897959 349056606 /nfs/dbraw/zinc/05/66/06/349056606.db2.gz ZZVIBRZYSQOTOI-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCCC1 ZINC000421829899 192387084 /nfs/dbraw/zinc/38/70/84/192387084.db2.gz JGMMVRZBPPGNND-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599268755 349136473 /nfs/dbraw/zinc/13/64/73/349136473.db2.gz ICJABZQKJIJFLA-PHIMTYICSA-N 2 1 226.320 0.481 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149281 349167076 /nfs/dbraw/zinc/16/70/76/349167076.db2.gz VSGTXUYRTWDVAS-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CN1CC[N@H+](C)C[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250400873 349171163 /nfs/dbraw/zinc/17/11/63/349171163.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 2 1 240.395 0.092 20 0 BCADMP CN1CC[N@@H+](C)C[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250400873 349171165 /nfs/dbraw/zinc/17/11/65/349171165.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 2 1 240.395 0.092 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250522423 349175232 /nfs/dbraw/zinc/17/52/32/349175232.db2.gz TYXWYLDIRDPVBW-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000252765042 349212604 /nfs/dbraw/zinc/21/26/04/349212604.db2.gz GHRCDYQKIINECV-YNEHKIRRSA-N 2 1 242.363 0.994 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000252765042 349212607 /nfs/dbraw/zinc/21/26/07/349212607.db2.gz GHRCDYQKIINECV-YNEHKIRRSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252851470 349218621 /nfs/dbraw/zinc/21/86/21/349218621.db2.gz IBQUEOKFVAYRRW-YFKTTZPYSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000252850248 349218962 /nfs/dbraw/zinc/21/89/62/349218962.db2.gz HMQSQMKLXQZWDF-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CCOC(=O)CC[NH+]1CCC([NH2+]C)CC1 ZINC000309044742 349401014 /nfs/dbraw/zinc/40/10/14/349401014.db2.gz NQQHNZFUTOWTTD-UHFFFAOYSA-N 2 1 214.309 0.623 20 0 BCADMP C[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070541433 350018672 /nfs/dbraw/zinc/01/86/72/350018672.db2.gz LORMGDICYITRSS-UHFFFAOYSA-N 2 1 247.342 0.575 20 0 BCADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000380971536 350021205 /nfs/dbraw/zinc/02/12/05/350021205.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 1 232.368 0.656 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000070617358 350031220 /nfs/dbraw/zinc/03/12/20/350031220.db2.gz GKYSAOYVWGQHFG-NSHDSACASA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309121084 350036319 /nfs/dbraw/zinc/03/63/19/350036319.db2.gz UCJZRXIZEHGOLH-SCVCMEIPSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309121084 350036320 /nfs/dbraw/zinc/03/63/20/350036320.db2.gz UCJZRXIZEHGOLH-SCVCMEIPSA-N 2 1 212.337 0.687 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000563098572 350036864 /nfs/dbraw/zinc/03/68/64/350036864.db2.gz XOYBYZBKMRYACT-SNVBAGLBSA-N 2 1 213.325 0.276 20 0 BCADMP COCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389819 350119539 /nfs/dbraw/zinc/11/95/39/350119539.db2.gz VOWFLQIDHVTESV-ZDUSSCGKSA-N 2 1 241.379 0.345 20 0 BCADMP COCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389819 350119549 /nfs/dbraw/zinc/11/95/49/350119549.db2.gz VOWFLQIDHVTESV-ZDUSSCGKSA-N 2 1 241.379 0.345 20 0 BCADMP Cc1cnn(CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000304447523 350153825 /nfs/dbraw/zinc/15/38/25/350153825.db2.gz WUOPUHLVBVQCNY-VXGBXAGGSA-N 2 1 222.336 0.861 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219997484 350154864 /nfs/dbraw/zinc/15/48/64/350154864.db2.gz GMFQYOXQIFXQJW-GXSJLCMTSA-N 2 1 227.352 0.569 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000359211895 180113352 /nfs/dbraw/zinc/11/33/52/180113352.db2.gz NCHLWDXHNPUNOV-UHFFFAOYSA-N 2 1 249.362 0.792 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000359211895 180113354 /nfs/dbraw/zinc/11/33/54/180113354.db2.gz NCHLWDXHNPUNOV-UHFFFAOYSA-N 2 1 249.362 0.792 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133789110 191042836 /nfs/dbraw/zinc/04/28/36/191042836.db2.gz BHGXIKBYMBENEH-VXGBXAGGSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H](O)C[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313866138 350165729 /nfs/dbraw/zinc/16/57/29/350165729.db2.gz KLPRBXKHSDGUCD-NSHDSACASA-N 2 1 241.335 0.028 20 0 BCADMP C[C@H](O)C[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313866138 350165732 /nfs/dbraw/zinc/16/57/32/350165732.db2.gz KLPRBXKHSDGUCD-NSHDSACASA-N 2 1 241.335 0.028 20 0 BCADMP Cc1ncc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000357102165 180136644 /nfs/dbraw/zinc/13/66/44/180136644.db2.gz IVOXDSJGLSFPAG-UHFFFAOYSA-N 2 1 229.349 0.859 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000316602185 350221913 /nfs/dbraw/zinc/22/19/13/350221913.db2.gz PKZQZMOMHHDODB-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000316602185 350221916 /nfs/dbraw/zinc/22/19/16/350221916.db2.gz PKZQZMOMHHDODB-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426433318 191083728 /nfs/dbraw/zinc/08/37/28/191083728.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426433318 191083731 /nfs/dbraw/zinc/08/37/31/191083731.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426433318 191083732 /nfs/dbraw/zinc/08/37/32/191083732.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427592101 191083486 /nfs/dbraw/zinc/08/34/86/191083486.db2.gz OEWGEERCHIWCRA-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(CO)CC1 ZINC000275487461 180247323 /nfs/dbraw/zinc/24/73/23/180247323.db2.gz PDYNHYPBNBAWQV-UHFFFAOYSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(CO)CC1 ZINC000275487461 180247325 /nfs/dbraw/zinc/24/73/25/180247325.db2.gz PDYNHYPBNBAWQV-UHFFFAOYSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[N@@H+](C)C(C)C ZINC000299497525 180258334 /nfs/dbraw/zinc/25/83/34/180258334.db2.gz QHEMJBLBFBIPFH-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[N@H+](C)C(C)C ZINC000299497525 180258337 /nfs/dbraw/zinc/25/83/37/180258337.db2.gz QHEMJBLBFBIPFH-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])C(C)C ZINC000261590027 180259845 /nfs/dbraw/zinc/25/98/45/180259845.db2.gz UHRIAZOOFNSLBO-SNVBAGLBSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)CC(N)=O ZINC000273389025 180244733 /nfs/dbraw/zinc/24/47/33/180244733.db2.gz DWDFOOJBOPHABP-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)C(C)C ZINC000086124507 180262917 /nfs/dbraw/zinc/26/29/17/180262917.db2.gz QIUUYAQFFRIEDP-LLVKDONJSA-N 2 1 211.309 0.798 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1([NH3+])CC1 ZINC000262171015 180264819 /nfs/dbraw/zinc/26/48/19/180264819.db2.gz XIEZWMCBNLPYKY-SECBINFHSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H](C)[NH3+] ZINC000178718174 180264892 /nfs/dbraw/zinc/26/48/92/180264892.db2.gz UCUYZQJYTFDGJW-BDAKNGLRSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCC[NH3+] ZINC000237393041 180265533 /nfs/dbraw/zinc/26/55/33/180265533.db2.gz VYWMPHSEUSFHGL-SNVBAGLBSA-N 2 1 238.335 0.683 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](C)[NH3+] ZINC000237561003 180265593 /nfs/dbraw/zinc/26/55/93/180265593.db2.gz UCUYZQJYTFDGJW-DTWKUNHWSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H](C)C[NH3+] ZINC000285789889 180266989 /nfs/dbraw/zinc/26/69/89/180266989.db2.gz ORXIHYKBSOIWJV-NXEZZACHSA-N 2 1 238.335 0.539 20 0 BCADMP Cc1ncn(C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000289778965 180288017 /nfs/dbraw/zinc/28/80/17/180288017.db2.gz KWQOTYMSRHYXIJ-GFCCVEGCSA-N 2 1 223.320 0.955 20 0 BCADMP Cc1[nH+]cn(C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289778965 180288021 /nfs/dbraw/zinc/28/80/21/180288021.db2.gz KWQOTYMSRHYXIJ-GFCCVEGCSA-N 2 1 223.320 0.955 20 0 BCADMP Cc1[nH+]cn(C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000289778965 180288022 /nfs/dbraw/zinc/28/80/22/180288022.db2.gz KWQOTYMSRHYXIJ-GFCCVEGCSA-N 2 1 223.320 0.955 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606344811 350314836 /nfs/dbraw/zinc/31/48/36/350314836.db2.gz IABRUKIRVWUYFN-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000606345341 350315105 /nfs/dbraw/zinc/31/51/05/350315105.db2.gz ZKCYXKWKFGIAKT-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606371682 350319093 /nfs/dbraw/zinc/31/90/93/350319093.db2.gz PHQXCNNPIPQJRZ-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000069277099 350351436 /nfs/dbraw/zinc/35/14/36/350351436.db2.gz XGIKGKCBBWDIIM-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000069277099 350351438 /nfs/dbraw/zinc/35/14/38/350351438.db2.gz XGIKGKCBBWDIIM-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000309281556 323340274 /nfs/dbraw/zinc/34/02/74/323340274.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000309281556 323340280 /nfs/dbraw/zinc/34/02/80/323340280.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CC(C)(C)O ZINC000309281556 323340282 /nfs/dbraw/zinc/34/02/82/323340282.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CC(C)(C)O ZINC000309281556 323340287 /nfs/dbraw/zinc/34/02/87/323340287.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 2 1 232.368 0.392 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389421 350427010 /nfs/dbraw/zinc/42/70/10/350427010.db2.gz CFNOIKPKFIQRCT-JTQLQIEISA-N 2 1 245.392 0.279 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152314 180374270 /nfs/dbraw/zinc/37/42/70/180374270.db2.gz PQUZVNXHGPPKLN-GXSJLCMTSA-N 2 1 222.336 0.898 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000122900636 350653060 /nfs/dbraw/zinc/65/30/60/350653060.db2.gz PZQJALHSWGFPHI-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)COC1 ZINC000252546308 535151752 /nfs/dbraw/zinc/15/17/52/535151752.db2.gz KJBRTVHHOFOSIC-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)COC1 ZINC000252546308 535151754 /nfs/dbraw/zinc/15/17/54/535151754.db2.gz KJBRTVHHOFOSIC-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000346696405 365992346 /nfs/dbraw/zinc/99/23/46/365992346.db2.gz PGVYGTSNTFPTHN-NTZNESFSSA-N 2 1 241.379 0.124 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1(C)C ZINC000623559619 362982368 /nfs/dbraw/zinc/98/23/68/362982368.db2.gz ICWCUAFMMUZGLR-MXWKQRLJSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]([NH3+])C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000571208255 350869992 /nfs/dbraw/zinc/86/99/92/350869992.db2.gz MNTKWJUFEXPFHB-SNVBAGLBSA-N 2 1 211.353 0.785 20 0 BCADMP Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)n1C ZINC000623085906 350843624 /nfs/dbraw/zinc/84/36/24/350843624.db2.gz MSDVJFBWNKUCPG-UHFFFAOYSA-N 2 1 233.319 0.794 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571174723 350867008 /nfs/dbraw/zinc/86/70/08/350867008.db2.gz TUEHXZFQTACEMG-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079515874 351070476 /nfs/dbraw/zinc/07/04/76/351070476.db2.gz BTBGHFPGLBMUSQ-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252717075 535159909 /nfs/dbraw/zinc/15/99/09/535159909.db2.gz ZSEGQNVXHALTGD-GRYCIOLGSA-N 2 1 214.353 0.933 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000577637036 366027913 /nfs/dbraw/zinc/02/79/13/366027913.db2.gz GOUAWTHSDBZGHT-WHOHXGKFSA-N 2 1 237.347 0.467 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637814950 351653720 /nfs/dbraw/zinc/65/37/20/351653720.db2.gz RICGPQLHIYXENU-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000637815444 351654858 /nfs/dbraw/zinc/65/48/58/351654858.db2.gz AWUUBTNKYHQCSU-VIFPVBQESA-N 2 1 222.292 0.012 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637817097 351658528 /nfs/dbraw/zinc/65/85/28/351658528.db2.gz POLABZDAGPITNX-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000637818926 351658602 /nfs/dbraw/zinc/65/86/02/351658602.db2.gz NNYCSBYUXOCZEW-JTQLQIEISA-N 2 1 222.292 0.012 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH2+]CC2)C1 ZINC000637798717 351627344 /nfs/dbraw/zinc/62/73/44/351627344.db2.gz PMYKMXZSNSIQGH-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000637801353 351631785 /nfs/dbraw/zinc/63/17/85/351631785.db2.gz JFDQGGWXXCCOPJ-JTQLQIEISA-N 2 1 222.292 0.012 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC(C)(C)C[NH3+] ZINC000637830720 351680822 /nfs/dbraw/zinc/68/08/22/351680822.db2.gz DGMBLGCGSLRNOO-UHFFFAOYSA-N 2 1 210.281 0.045 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000637837298 351691010 /nfs/dbraw/zinc/69/10/10/351691010.db2.gz CYNMAIOTCHDECJ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH2+]C1 ZINC000637837368 351691506 /nfs/dbraw/zinc/69/15/06/351691506.db2.gz FJENVYPZESNHRZ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637840679 351696809 /nfs/dbraw/zinc/69/68/09/351696809.db2.gz HFZABZPQFYTNSO-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637845215 351701040 /nfs/dbraw/zinc/70/10/40/351701040.db2.gz VNOPTZIDDWFSSA-JTQLQIEISA-N 2 1 229.368 0.770 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH3+])C(C)C ZINC000637849856 351707610 /nfs/dbraw/zinc/70/76/10/351707610.db2.gz YVYLYFZCRBDELG-JTQLQIEISA-N 2 1 224.308 0.291 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH3+] ZINC000637825498 351667475 /nfs/dbraw/zinc/66/74/75/351667475.db2.gz WSZLWURUVYBCJN-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000637823657 351668827 /nfs/dbraw/zinc/66/88/27/351668827.db2.gz SLNIMTNGATYGLH-MNOVXSKESA-N 2 1 225.336 0.135 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000637827449 351669737 /nfs/dbraw/zinc/66/97/37/351669737.db2.gz HKAJTZQPQXPBEV-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637858992 351720143 /nfs/dbraw/zinc/72/01/43/351720143.db2.gz GLCIPUDSRBABGC-NEPJUHHUSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000637862754 351723849 /nfs/dbraw/zinc/72/38/49/351723849.db2.gz UNCWPGJRQQBJSZ-UHFFFAOYSA-N 2 1 238.335 0.635 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637865931 351725919 /nfs/dbraw/zinc/72/59/19/351725919.db2.gz GMNGBNPVACGYNH-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)Cn1cc[nH+]c1C ZINC000637866102 351726811 /nfs/dbraw/zinc/72/68/11/351726811.db2.gz HXIUBJGOOLMBGP-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000626986085 363084759 /nfs/dbraw/zinc/08/47/59/363084759.db2.gz ADMLFSCBNCVFTH-HBNTYKKESA-N 2 1 240.351 0.130 20 0 BCADMP CN(CCC[NH3+])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637854241 351713076 /nfs/dbraw/zinc/71/30/76/351713076.db2.gz FSFWLBVFYNPGKM-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049842 351927630 /nfs/dbraw/zinc/92/76/30/351927630.db2.gz OZHWCLXCMMLBGU-NWDGAFQWSA-N 2 1 237.347 0.634 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000638060542 351933182 /nfs/dbraw/zinc/93/31/82/351933182.db2.gz WTSINQWYJPXICA-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000638068044 351938118 /nfs/dbraw/zinc/93/81/18/351938118.db2.gz ALQOGZUEHHGHME-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000638069834 351941350 /nfs/dbraw/zinc/94/13/50/351941350.db2.gz UNPXBTTXDNJENM-JTQLQIEISA-N 2 1 245.392 0.149 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638147598 352008936 /nfs/dbraw/zinc/00/89/36/352008936.db2.gz WOWZXNVODQWFOR-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000638147363 352009002 /nfs/dbraw/zinc/00/90/02/352009002.db2.gz RTNRFHDJMGUNTH-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000638079531 351952780 /nfs/dbraw/zinc/95/27/80/351952780.db2.gz UGWSOYZLCUWUPE-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000638082288 351956896 /nfs/dbraw/zinc/95/68/96/351956896.db2.gz GULOYBINILUYDY-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638154268 352014553 /nfs/dbraw/zinc/01/45/53/352014553.db2.gz GOYJCCPBONPEPI-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638150228 352011001 /nfs/dbraw/zinc/01/10/01/352011001.db2.gz VPVSEBFUUOLDJR-GXSJLCMTSA-N 2 1 236.319 0.387 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085534 351961956 /nfs/dbraw/zinc/96/19/56/351961956.db2.gz MGZDSVHGXYTPPQ-JQWIXIFHSA-N 2 1 237.347 0.492 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085535 351962032 /nfs/dbraw/zinc/96/20/32/351962032.db2.gz MGZDSVHGXYTPPQ-PWSUYJOCSA-N 2 1 237.347 0.492 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CCC1C[NH2+]C1 ZINC000638091497 351969378 /nfs/dbraw/zinc/96/93/78/351969378.db2.gz WIYCHYJDGRZBRP-UHFFFAOYSA-N 2 1 236.319 0.307 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638151783 352012109 /nfs/dbraw/zinc/01/21/09/352012109.db2.gz AMHBHNAWZONLPZ-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000638096613 351976870 /nfs/dbraw/zinc/97/68/70/351976870.db2.gz KNWUKDUCDNVEEA-WDEREUQCSA-N 2 1 229.368 0.831 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000638096960 351976884 /nfs/dbraw/zinc/97/68/84/351976884.db2.gz ONMBQBOCBRPXGD-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000638096610 351977118 /nfs/dbraw/zinc/97/71/18/351977118.db2.gz KNWUKDUCDNVEEA-GHMZBOCLSA-N 2 1 229.368 0.831 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098316 351977634 /nfs/dbraw/zinc/97/76/34/351977634.db2.gz BLWDHLXHMICNKB-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000638099650 351979628 /nfs/dbraw/zinc/97/96/28/351979628.db2.gz IHNCOKFFUPMEKK-STQMWFEESA-N 2 1 249.358 0.634 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000638099647 351980071 /nfs/dbraw/zinc/98/00/71/351980071.db2.gz IHNCOKFFUPMEKK-OLZOCXBDSA-N 2 1 249.358 0.634 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000638100578 351980490 /nfs/dbraw/zinc/98/04/90/351980490.db2.gz KFRATBXVYWMEBL-VHSXEESVSA-N 2 1 227.352 0.583 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000638121800 351995441 /nfs/dbraw/zinc/99/54/41/351995441.db2.gz HJVZTXXRUORSFD-QJPTWQEYSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000638123418 351996026 /nfs/dbraw/zinc/99/60/26/351996026.db2.gz OFXGRIOYBZKCSS-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000638126913 351998103 /nfs/dbraw/zinc/99/81/03/351998103.db2.gz RNLCDWRRNNYSAO-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000638130641 352000784 /nfs/dbraw/zinc/00/07/84/352000784.db2.gz LZAGNIBJLSFUQT-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138681 352003755 /nfs/dbraw/zinc/00/37/55/352003755.db2.gz JFGJWYJBIHHYLW-LBPRGKRZSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638176698 352042820 /nfs/dbraw/zinc/04/28/20/352042820.db2.gz GKWSRKBQMGJSIR-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638201028 352061272 /nfs/dbraw/zinc/06/12/72/352061272.db2.gz AASJVASLUQEWRC-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638201033 352061869 /nfs/dbraw/zinc/06/18/69/352061869.db2.gz ACTGEQGJINVTAA-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638198663 352061948 /nfs/dbraw/zinc/06/19/48/352061948.db2.gz KZAFZQXTMCQSIA-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213840 352075893 /nfs/dbraw/zinc/07/58/93/352075893.db2.gz JYUQYOJLZLGIFU-SDDRHHMPSA-N 2 1 237.347 0.006 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000638209926 352072718 /nfs/dbraw/zinc/07/27/18/352072718.db2.gz FYDZLEVQWPEQFU-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638157971 352025304 /nfs/dbraw/zinc/02/53/04/352025304.db2.gz YCIGMHGQAUXNJY-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C[NH2+]1 ZINC000638160883 352028152 /nfs/dbraw/zinc/02/81/52/352028152.db2.gz ZVEHCJJRTQOPDS-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638211998 352073964 /nfs/dbraw/zinc/07/39/64/352073964.db2.gz XJRYRNOSBPSNMA-MWLCHTKSSA-N 2 1 236.319 0.448 20 0 BCADMP C[N@@H+]1CC[C@@H](CC(=O)NCC(F)(F)C[NH3+])C1 ZINC000638173927 352036928 /nfs/dbraw/zinc/03/69/28/352036928.db2.gz HLTQINZPBXQLJX-QMMMGPOBSA-N 2 1 235.278 0.038 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC(F)(F)C[NH3+])C1 ZINC000638173927 352036931 /nfs/dbraw/zinc/03/69/31/352036931.db2.gz HLTQINZPBXQLJX-QMMMGPOBSA-N 2 1 235.278 0.038 20 0 BCADMP C[N@@H+]1CC[C@H](CC(=O)NCC(F)(F)C[NH3+])C1 ZINC000638173926 352037249 /nfs/dbraw/zinc/03/72/49/352037249.db2.gz HLTQINZPBXQLJX-MRVPVSSYSA-N 2 1 235.278 0.038 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC(F)(F)C[NH3+])C1 ZINC000638173926 352037250 /nfs/dbraw/zinc/03/72/50/352037250.db2.gz HLTQINZPBXQLJX-MRVPVSSYSA-N 2 1 235.278 0.038 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638219086 352078986 /nfs/dbraw/zinc/07/89/86/352078986.db2.gz GMCNNWQZJJVSKJ-LBPRGKRZSA-N 2 1 236.319 0.389 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638245623 352092940 /nfs/dbraw/zinc/09/29/40/352092940.db2.gz WLMVWBMVURAXBF-NSHDSACASA-N 2 1 248.330 0.450 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638246471 352092992 /nfs/dbraw/zinc/09/29/92/352092992.db2.gz JJXXUJLIRINKGT-NEPJUHHUSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638253243 352096555 /nfs/dbraw/zinc/09/65/55/352096555.db2.gz JCSYNJPZDZYNIB-ZYHUDNBSSA-N 2 1 241.310 0.194 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638256826 352100202 /nfs/dbraw/zinc/10/02/02/352100202.db2.gz UCFKSEBQDGTWAR-QMMMGPOBSA-N 2 1 246.261 0.290 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638257096 352100679 /nfs/dbraw/zinc/10/06/79/352100679.db2.gz SROOQGARGCTVQH-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000638257783 352101532 /nfs/dbraw/zinc/10/15/32/352101532.db2.gz WOBLDEQXLVIULM-CHWFTXMASA-N 2 1 227.352 0.569 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638259757 352102909 /nfs/dbraw/zinc/10/29/09/352102909.db2.gz SOEHFDSMMZNANM-IUCAKERBSA-N 2 1 249.305 0.427 20 0 BCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638259312 352103000 /nfs/dbraw/zinc/10/30/00/352103000.db2.gz ORAFUDZFDCVNKC-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638259312 352103001 /nfs/dbraw/zinc/10/30/01/352103001.db2.gz ORAFUDZFDCVNKC-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH3+])C1 ZINC000638256230 352103633 /nfs/dbraw/zinc/10/36/33/352103633.db2.gz RPMFPPFCZXPDTA-KPPDAEKUSA-N 2 1 225.336 0.276 20 0 BCADMP [NH3+]CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960731 352105702 /nfs/dbraw/zinc/10/57/02/352105702.db2.gz DUFSCAHPHHSSRS-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960728 352105843 /nfs/dbraw/zinc/10/58/43/352105843.db2.gz JPOAFKIOIQYIOS-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638332996 352151146 /nfs/dbraw/zinc/15/11/46/352151146.db2.gz TYHQFIZQDKMBFV-LLVKDONJSA-N 2 1 236.319 0.387 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cn2ccnc2)[C@H](C)C1 ZINC000288512841 352153722 /nfs/dbraw/zinc/15/37/22/352153722.db2.gz QWPGNVSFBTYVHE-LLVKDONJSA-N 2 1 236.319 0.436 20 0 BCADMP CCN1CCN(C(=O)Cn2ccnc2)[C@H](C)C1 ZINC000288512841 352153724 /nfs/dbraw/zinc/15/37/24/352153724.db2.gz QWPGNVSFBTYVHE-LLVKDONJSA-N 2 1 236.319 0.436 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C[NH3+])C1CC1 ZINC000638332048 352153750 /nfs/dbraw/zinc/15/37/50/352153750.db2.gz LZXSHYCPVLRKQA-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638331947 352153890 /nfs/dbraw/zinc/15/38/90/352153890.db2.gz ABMJZVFRVYFXMR-JTQLQIEISA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncnn1C ZINC000638336121 352154600 /nfs/dbraw/zinc/15/46/00/352154600.db2.gz YWPMHHXDDCOSNQ-JTQLQIEISA-N 2 1 248.334 0.746 20 0 BCADMP C[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC000638347487 352165135 /nfs/dbraw/zinc/16/51/35/352165135.db2.gz SSFSSBTUBMEHQH-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000638312237 352137998 /nfs/dbraw/zinc/13/79/98/352137998.db2.gz FCRDSNJQNUMJJV-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@H]2C1 ZINC000638313326 352139956 /nfs/dbraw/zinc/13/99/56/352139956.db2.gz UAEZXTVRPIBFLO-WXHSDQCUSA-N 2 1 249.358 0.587 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427221 352235406 /nfs/dbraw/zinc/23/54/06/352235406.db2.gz VFAOPWCUUMJHBZ-NWDGAFQWSA-N 2 1 237.347 0.634 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]CC)C1 ZINC000638427590 352235755 /nfs/dbraw/zinc/23/57/55/352235755.db2.gz VGSDCFWXAFUCED-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]CC)C1 ZINC000638427589 352235825 /nfs/dbraw/zinc/23/58/25/352235825.db2.gz VGSDCFWXAFUCED-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428579 352236986 /nfs/dbraw/zinc/23/69/86/352236986.db2.gz YAEJYKPEUKVCHV-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638396539 352203146 /nfs/dbraw/zinc/20/31/46/352203146.db2.gz KXHOIUDLNSKDJJ-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](C)[NH3+] ZINC000638437924 352244995 /nfs/dbraw/zinc/24/49/95/352244995.db2.gz GPIANRCFAYQLMD-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638437751 352245250 /nfs/dbraw/zinc/24/52/50/352245250.db2.gz UNCZUIJKEDPNMH-NSHDSACASA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442069 352249073 /nfs/dbraw/zinc/24/90/73/352249073.db2.gz NZKKABRZCWIDIT-AAEUAGOBSA-N 2 1 248.330 0.531 20 0 BCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)C(C)C ZINC000638490261 352299083 /nfs/dbraw/zinc/29/90/83/352299083.db2.gz TYVTZBBAHNKAPQ-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(CC[NH3+])C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000638516684 352345525 /nfs/dbraw/zinc/34/55/25/352345525.db2.gz WDHKTCGJFFVGMJ-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638528506 352362026 /nfs/dbraw/zinc/36/20/26/352362026.db2.gz KCBGKNDBRBCNHM-QJPTWQEYSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000452978148 352395613 /nfs/dbraw/zinc/39/56/13/352395613.db2.gz RTHMPBGPRQPRRN-SDDRHHMPSA-N 2 1 239.363 0.489 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638574509 352404603 /nfs/dbraw/zinc/40/46/03/352404603.db2.gz UZTNFZFTDSREJO-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638638247 352479759 /nfs/dbraw/zinc/47/97/59/352479759.db2.gz BSRFFITUOMFJRH-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C[NH2+]1 ZINC000638642258 352485333 /nfs/dbraw/zinc/48/53/33/352485333.db2.gz WCJWAFDVXHQKOK-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C[NH2+]1 ZINC000638642257 352485395 /nfs/dbraw/zinc/48/53/95/352485395.db2.gz WCJWAFDVXHQKOK-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638727430 352586352 /nfs/dbraw/zinc/58/63/52/352586352.db2.gz HQTYLFSCPKIHEV-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638730065 352592447 /nfs/dbraw/zinc/59/24/47/352592447.db2.gz RBJLPBKSBUXXMJ-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638730070 352592709 /nfs/dbraw/zinc/59/27/09/352592709.db2.gz RELDJENSIIENGC-GMXVVIOVSA-N 2 1 237.347 0.196 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042165743 352614003 /nfs/dbraw/zinc/61/40/03/352614003.db2.gz IYBUSEASHCWARG-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000300422201 352563360 /nfs/dbraw/zinc/56/33/60/352563360.db2.gz WUVZITFKJYAFDA-JBLDHEPKSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531318 352654510 /nfs/dbraw/zinc/65/45/10/352654510.db2.gz LBUOIZNILFZBKD-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531318 352654513 /nfs/dbraw/zinc/65/45/13/352654513.db2.gz LBUOIZNILFZBKD-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775320 352722293 /nfs/dbraw/zinc/72/22/93/352722293.db2.gz BQZNLZWULJLILG-WHOHXGKFSA-N 2 1 239.363 0.726 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC([NH+](C)C)C1 ZINC000334215127 352814075 /nfs/dbraw/zinc/81/40/75/352814075.db2.gz QMWSJTQPZNYIDK-PHIMTYICSA-N 2 1 239.363 0.632 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000334198310 352790786 /nfs/dbraw/zinc/79/07/86/352790786.db2.gz LMBJPJXPTYNWAK-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334198310 352790790 /nfs/dbraw/zinc/79/07/90/352790790.db2.gz LMBJPJXPTYNWAK-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577853824 366085681 /nfs/dbraw/zinc/08/56/81/366085681.db2.gz VPCYDFLXVVGOSJ-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924791 353085593 /nfs/dbraw/zinc/08/55/93/353085593.db2.gz FTNNKOQKWPJGCP-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000638931532 353093038 /nfs/dbraw/zinc/09/30/38/353093038.db2.gz PXUXJPWQRKKRSE-FIQHERPVSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638935603 353099289 /nfs/dbraw/zinc/09/92/89/353099289.db2.gz OAHHKTSIXLCPQK-ZJUUUORDSA-N 2 1 213.325 0.275 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638935600 353099381 /nfs/dbraw/zinc/09/93/81/353099381.db2.gz OAHHKTSIXLCPQK-NXEZZACHSA-N 2 1 213.325 0.275 20 0 BCADMP C[N@H+](CCn1cncn1)C[C@@H]1CCC[NH+](C)C1 ZINC000336700577 188012080 /nfs/dbraw/zinc/01/20/80/188012080.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP C[N@@H+](CCn1cncn1)C[C@@H]1CCC[NH+](C)C1 ZINC000336700577 188012081 /nfs/dbraw/zinc/01/20/81/188012081.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP C[NH+](CCn1cncn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336700577 188012083 /nfs/dbraw/zinc/01/20/83/188012083.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP C[NH+](CCn1cncn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336700577 188012084 /nfs/dbraw/zinc/01/20/84/188012084.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332708604 188053717 /nfs/dbraw/zinc/05/37/17/188053717.db2.gz OGZLRJAQOSHFLB-OUAUKWLOSA-N 2 1 239.363 0.855 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000639018812 353274070 /nfs/dbraw/zinc/27/40/70/353274070.db2.gz WUTZISXSPQUFSO-IJLUTSLNSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000639018811 353274388 /nfs/dbraw/zinc/27/43/88/353274388.db2.gz WUTZISXSPQUFSO-GRYCIOLGSA-N 2 1 239.363 0.522 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000639018406 353274634 /nfs/dbraw/zinc/27/46/34/353274634.db2.gz IGEZGAXVSVEHLH-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](C)C ZINC000122116583 324029740 /nfs/dbraw/zinc/02/97/40/324029740.db2.gz YSCZKPPXZQUTQB-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[NH+](C)C ZINC000360410604 188243166 /nfs/dbraw/zinc/24/31/66/188243166.db2.gz IWQSWUARVLPOFT-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000362769638 188244909 /nfs/dbraw/zinc/24/49/09/188244909.db2.gz NCCKYKRGZWIMEP-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362769638 188244911 /nfs/dbraw/zinc/24/49/11/188244911.db2.gz NCCKYKRGZWIMEP-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362769638 188244913 /nfs/dbraw/zinc/24/49/13/188244913.db2.gz NCCKYKRGZWIMEP-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726754 188258104 /nfs/dbraw/zinc/25/81/04/188258104.db2.gz XIXZOYXWRJCXHL-ZYHUDNBSSA-N 2 1 239.363 0.713 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000252841691 353312332 /nfs/dbraw/zinc/31/23/32/353312332.db2.gz APCRVSADWOGUKO-UMSGYPCISA-N 2 1 224.348 0.689 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919911 188271803 /nfs/dbraw/zinc/27/18/03/188271803.db2.gz OCTUGLDWMBHEFP-IUCAKERBSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919911 188271804 /nfs/dbraw/zinc/27/18/04/188271804.db2.gz OCTUGLDWMBHEFP-IUCAKERBSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000252151386 353296862 /nfs/dbraw/zinc/29/68/62/353296862.db2.gz OQVMXYUGNLLGJF-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000165313367 353296907 /nfs/dbraw/zinc/29/69/07/353296907.db2.gz WBKFIERAGXUFFJ-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030353 353297652 /nfs/dbraw/zinc/29/76/52/353297652.db2.gz UEXZDSPJGYCGOP-XYPYZODXSA-N 2 1 236.319 0.578 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639033335 353304932 /nfs/dbraw/zinc/30/49/32/353304932.db2.gz LKGSBWUDJPBSSM-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710515 353335821 /nfs/dbraw/zinc/33/58/21/353335821.db2.gz ZDBBOQGQOSPDMQ-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865885 353313051 /nfs/dbraw/zinc/31/30/51/353313051.db2.gz PZECWSHAZXPQEI-FIQHERPVSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865885 353313053 /nfs/dbraw/zinc/31/30/53/353313053.db2.gz PZECWSHAZXPQEI-FIQHERPVSA-N 2 1 240.347 0.997 20 0 BCADMP COCC1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC1 ZINC000639049231 353343701 /nfs/dbraw/zinc/34/37/01/353343701.db2.gz LAWRQZSDRVEBNE-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP COCC1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000639049231 353343703 /nfs/dbraw/zinc/34/37/03/353343703.db2.gz LAWRQZSDRVEBNE-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP CCC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049614 353344041 /nfs/dbraw/zinc/34/40/41/353344041.db2.gz WCDDDVFOMUHJMF-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049614 353344044 /nfs/dbraw/zinc/34/40/44/353344044.db2.gz WCDDDVFOMUHJMF-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812658 358477987 /nfs/dbraw/zinc/47/79/87/358477987.db2.gz SVFVKHKJNNADDZ-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049151 353347954 /nfs/dbraw/zinc/34/79/54/353347954.db2.gz JDZIXBQIWPAULH-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049151 353347955 /nfs/dbraw/zinc/34/79/55/353347955.db2.gz JDZIXBQIWPAULH-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000110653815 188352869 /nfs/dbraw/zinc/35/28/69/188352869.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000110653815 188352871 /nfs/dbraw/zinc/35/28/71/188352871.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000110653815 188352872 /nfs/dbraw/zinc/35/28/72/188352872.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778659 188354816 /nfs/dbraw/zinc/35/48/16/188354816.db2.gz LXWNTKSMSLDCTP-JQWIXIFHSA-N 2 1 222.336 0.882 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366559575 188370164 /nfs/dbraw/zinc/37/01/64/188370164.db2.gz RDRIWLDBVLXYCJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366559575 188370166 /nfs/dbraw/zinc/37/01/66/188370166.db2.gz RDRIWLDBVLXYCJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366559575 188370168 /nfs/dbraw/zinc/37/01/68/188370168.db2.gz RDRIWLDBVLXYCJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000343301768 353467228 /nfs/dbraw/zinc/46/72/28/353467228.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000343301768 353467230 /nfs/dbraw/zinc/46/72/30/353467230.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000343301768 353467234 /nfs/dbraw/zinc/46/72/34/353467234.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000334514255 353579360 /nfs/dbraw/zinc/57/93/60/353579360.db2.gz HTDLMFBHSQZXGD-WDEREUQCSA-N 2 1 227.352 0.535 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000230896475 353551076 /nfs/dbraw/zinc/55/10/76/353551076.db2.gz ZGDQYWWXESQSOA-CYBMUJFWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000577864665 366090132 /nfs/dbraw/zinc/09/01/32/366090132.db2.gz RAFOVMWHJGIADC-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000232014744 353680461 /nfs/dbraw/zinc/68/04/61/353680461.db2.gz BCJNEUKROUPJDA-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713938 /nfs/dbraw/zinc/71/39/38/353713938.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 2 1 233.315 0.781 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713940 /nfs/dbraw/zinc/71/39/40/353713940.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 2 1 233.315 0.781 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713944 /nfs/dbraw/zinc/71/39/44/353713944.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 2 1 233.315 0.781 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713947 /nfs/dbraw/zinc/71/39/47/353713947.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 2 1 233.315 0.781 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627106043 363264893 /nfs/dbraw/zinc/26/48/93/363264893.db2.gz FWCFRZOSSFQZJS-OUAUKWLOSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CN(C)C ZINC000343672922 353950866 /nfs/dbraw/zinc/95/08/66/353950866.db2.gz RBZFGMLNTZIGOJ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000343672922 353950867 /nfs/dbraw/zinc/95/08/67/353950867.db2.gz RBZFGMLNTZIGOJ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000343672922 353950869 /nfs/dbraw/zinc/95/08/69/353950869.db2.gz RBZFGMLNTZIGOJ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP COCC[NH+](C)CCC[N@@H+](C)CCOC ZINC000343643010 353951978 /nfs/dbraw/zinc/95/19/78/353951978.db2.gz FPWWCGBWSFIQNG-UHFFFAOYSA-N 2 1 218.341 0.533 20 0 BCADMP COCC[NH+](C)CCC[N@H+](C)CCOC ZINC000343643010 353951980 /nfs/dbraw/zinc/95/19/80/353951980.db2.gz FPWWCGBWSFIQNG-UHFFFAOYSA-N 2 1 218.341 0.533 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000343835186 354035113 /nfs/dbraw/zinc/03/51/13/354035113.db2.gz TYXBIPSNKYVBEH-ONGXEEELSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000343835186 354035115 /nfs/dbraw/zinc/03/51/15/354035115.db2.gz TYXBIPSNKYVBEH-ONGXEEELSA-N 2 1 225.336 0.147 20 0 BCADMP CC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000334572661 354101654 /nfs/dbraw/zinc/10/16/54/354101654.db2.gz IPBJLFVJPTVNPZ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000344182377 354176419 /nfs/dbraw/zinc/17/64/19/354176419.db2.gz HKZXGRTXHIPVSQ-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682476 202001743 /nfs/dbraw/zinc/00/17/43/202001743.db2.gz HIFUFEWOVZVPKQ-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000334614743 354300102 /nfs/dbraw/zinc/30/01/02/354300102.db2.gz DRBVYCBUOKVIMB-MNOVXSKESA-N 3 1 247.333 0.963 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000345327062 354611660 /nfs/dbraw/zinc/61/16/60/354611660.db2.gz SQAHYCFZXKIIOM-SDDRHHMPSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335108011 354694177 /nfs/dbraw/zinc/69/41/77/354694177.db2.gz QQLKWHUYGWNKAS-IUCAKERBSA-N 2 1 247.289 0.052 20 0 BCADMP C[C@@H](O)C[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000351948807 134016188 /nfs/dbraw/zinc/01/61/88/134016188.db2.gz IPYAQEAJYKQBIN-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000235162016 363438666 /nfs/dbraw/zinc/43/86/66/363438666.db2.gz JFFGINSENRTGCI-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000235162016 363438670 /nfs/dbraw/zinc/43/86/70/363438670.db2.gz JFFGINSENRTGCI-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000054128941 491069136 /nfs/dbraw/zinc/06/91/36/491069136.db2.gz KPRUXQZETOWVGR-JTQLQIEISA-N 2 1 215.341 0.285 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220373 324538389 /nfs/dbraw/zinc/53/83/89/324538389.db2.gz NTCHYVXUWMFALA-BDAKNGLRSA-N 2 1 211.309 0.125 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000346542701 354982335 /nfs/dbraw/zinc/98/23/35/354982335.db2.gz IWHQSQHIIWGYMM-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685156 355012042 /nfs/dbraw/zinc/01/20/42/355012042.db2.gz QGOZDIBHBDZAHJ-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685156 355012044 /nfs/dbraw/zinc/01/20/44/355012044.db2.gz QGOZDIBHBDZAHJ-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686314 355012532 /nfs/dbraw/zinc/01/25/32/355012532.db2.gz UAOVNTWDFWGCSL-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686314 355012535 /nfs/dbraw/zinc/01/25/35/355012535.db2.gz UAOVNTWDFWGCSL-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000346825133 355126941 /nfs/dbraw/zinc/12/69/41/355126941.db2.gz PMFDVGKHRBZGKR-LBPRGKRZSA-N 2 1 241.379 0.520 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000346825133 355126945 /nfs/dbraw/zinc/12/69/45/355126945.db2.gz PMFDVGKHRBZGKR-LBPRGKRZSA-N 2 1 241.379 0.520 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346832643 355129476 /nfs/dbraw/zinc/12/94/76/355129476.db2.gz RHZFAQMLXIOKQL-WCQGTBRESA-N 2 1 220.320 0.887 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346848360 355136908 /nfs/dbraw/zinc/13/69/08/355136908.db2.gz QEKDCJGSPKVHKE-QWRGUYRKSA-N 2 1 229.368 0.111 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000335255635 355187480 /nfs/dbraw/zinc/18/74/80/355187480.db2.gz IBRSWXYOLDZAPZ-TXEJJXNPSA-N 3 1 223.364 0.657 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989449 355189432 /nfs/dbraw/zinc/18/94/32/355189432.db2.gz RLALOXKMEVKCAC-QWHCGFSZSA-N 3 1 225.380 0.870 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989449 355189434 /nfs/dbraw/zinc/18/94/34/355189434.db2.gz RLALOXKMEVKCAC-QWHCGFSZSA-N 3 1 225.380 0.870 20 0 BCADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623748935 355297009 /nfs/dbraw/zinc/29/70/09/355297009.db2.gz OJWXEDZOSYKUIN-WUHRBBMRSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144930 191442636 /nfs/dbraw/zinc/44/26/36/191442636.db2.gz UGEQQOJIGQJWSP-WYUUTHIRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144930 191442638 /nfs/dbraw/zinc/44/26/38/191442638.db2.gz UGEQQOJIGQJWSP-WYUUTHIRSA-N 2 1 212.337 0.687 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000335616442 355323170 /nfs/dbraw/zinc/32/31/70/355323170.db2.gz GVAMPWRXRGOHGJ-MNOVXSKESA-N 2 1 242.367 0.315 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820135 191583184 /nfs/dbraw/zinc/58/31/84/191583184.db2.gz AKKQPFQPBRWGMT-JTQLQIEISA-N 2 1 228.336 0.917 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC(CF)CC1 ZINC000583573341 355656034 /nfs/dbraw/zinc/65/60/34/355656034.db2.gz QWPZLIURDQROHF-LBPRGKRZSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573341 355656036 /nfs/dbraw/zinc/65/60/36/355656036.db2.gz QWPZLIURDQROHF-LBPRGKRZSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573341 355656038 /nfs/dbraw/zinc/65/60/38/355656038.db2.gz QWPZLIURDQROHF-LBPRGKRZSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573341 355656041 /nfs/dbraw/zinc/65/60/41/355656041.db2.gz QWPZLIURDQROHF-LBPRGKRZSA-N 2 1 232.343 0.981 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000417886835 355630944 /nfs/dbraw/zinc/63/09/44/355630944.db2.gz ZGUDSWHAQZDEOW-ATZCPNFKSA-N 2 1 240.351 0.116 20 0 BCADMP [NH3+]CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000335892545 355685439 /nfs/dbraw/zinc/68/54/39/355685439.db2.gz IPAYCVDZFINLJY-UHFFFAOYSA-N 2 1 219.288 0.472 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000167198814 355969696 /nfs/dbraw/zinc/96/96/96/355969696.db2.gz SPNUYTMKJIAADH-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000617556647 356112816 /nfs/dbraw/zinc/11/28/16/356112816.db2.gz USBDAZHJAFKCMH-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000617556647 356112819 /nfs/dbraw/zinc/11/28/19/356112819.db2.gz USBDAZHJAFKCMH-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000617556290 356117446 /nfs/dbraw/zinc/11/74/46/356117446.db2.gz NJZKVOJUOPVGOV-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](C)C1 ZINC000617556290 356117449 /nfs/dbraw/zinc/11/74/49/356117449.db2.gz NJZKVOJUOPVGOV-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](C)C1 ZINC000617556290 356117450 /nfs/dbraw/zinc/11/74/50/356117450.db2.gz NJZKVOJUOPVGOV-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000617556291 356117656 /nfs/dbraw/zinc/11/76/56/356117656.db2.gz NJZKVOJUOPVGOV-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](C)C1 ZINC000617556291 356117661 /nfs/dbraw/zinc/11/76/61/356117661.db2.gz NJZKVOJUOPVGOV-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](C)C1 ZINC000617556291 356117663 /nfs/dbraw/zinc/11/76/63/356117663.db2.gz NJZKVOJUOPVGOV-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000351861580 356099305 /nfs/dbraw/zinc/09/93/05/356099305.db2.gz KSPBIAGIJBQJNN-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[NH2+]CCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000418279714 192013007 /nfs/dbraw/zinc/01/30/07/192013007.db2.gz PUJXVWXXISQJMF-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000351904556 356175963 /nfs/dbraw/zinc/17/59/63/356175963.db2.gz CPDKQNDCYHINHO-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000418310796 192022107 /nfs/dbraw/zinc/02/21/07/192022107.db2.gz KTJBLWZFEXSJDK-NSHDSACASA-N 2 1 242.367 0.317 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000167511407 356199155 /nfs/dbraw/zinc/19/91/55/356199155.db2.gz WZHVFZNZYJITFH-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+][C@H](C)CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420244441 192185231 /nfs/dbraw/zinc/18/52/31/192185231.db2.gz QBLOUQKYKPKQJO-SECBINFHSA-N 2 1 246.318 0.991 20 0 BCADMP C[C@H](O)CNc1cc(N[C@@H](C)[C@H](C)[NH3+])nc[nH+]1 ZINC000420256925 192189406 /nfs/dbraw/zinc/18/94/06/192189406.db2.gz DJBOYVNTNPFLCO-CIUDSAMLSA-N 2 1 239.323 0.417 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319872 192194928 /nfs/dbraw/zinc/19/49/28/192194928.db2.gz ASFDWZPPZMKQSD-CHWSQXEVSA-N 3 1 241.379 0.283 20 0 BCADMP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH]1 ZINC000639457269 356242768 /nfs/dbraw/zinc/24/27/68/356242768.db2.gz RQPVTINRNMWFPZ-PHIMTYICSA-N 2 1 219.288 0.438 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420292903 192203728 /nfs/dbraw/zinc/20/37/28/192203728.db2.gz QHEGIBREDYFQLB-WDEREUQCSA-N 2 1 240.347 0.999 20 0 BCADMP NC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292662 192203748 /nfs/dbraw/zinc/20/37/48/192203748.db2.gz PUQANGORTNXRLO-NEPJUHHUSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292662 192203750 /nfs/dbraw/zinc/20/37/50/192203750.db2.gz PUQANGORTNXRLO-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292662 192203752 /nfs/dbraw/zinc/20/37/52/192203752.db2.gz PUQANGORTNXRLO-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291289 192203899 /nfs/dbraw/zinc/20/38/99/192203899.db2.gz NCNCBCKDGYTAEL-NSHDSACASA-N 3 1 213.369 0.903 20 0 BCADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)CN ZINC000420291289 192203903 /nfs/dbraw/zinc/20/39/03/192203903.db2.gz NCNCBCKDGYTAEL-NSHDSACASA-N 2 1 213.369 0.903 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)CN ZINC000420291289 192203905 /nfs/dbraw/zinc/20/39/05/192203905.db2.gz NCNCBCKDGYTAEL-NSHDSACASA-N 2 1 213.369 0.903 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420299675 192206761 /nfs/dbraw/zinc/20/67/61/192206761.db2.gz BGFVJVVUQSUFBK-TUAOUCFPSA-N 2 1 240.347 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420319073 192195160 /nfs/dbraw/zinc/19/51/60/192195160.db2.gz OUWBHBDHOYRENH-GHMZBOCLSA-N 2 1 228.336 0.997 20 0 BCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC000420319085 192195185 /nfs/dbraw/zinc/19/51/85/192195185.db2.gz XBFPUCRTKUIZKU-NSHDSACASA-N 2 1 245.342 0.666 20 0 BCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+](C)C ZINC000336125170 134092478 /nfs/dbraw/zinc/09/24/78/134092478.db2.gz XROAGHIHLNNMFV-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)[C@H](C)[NH3+] ZINC000420269250 192195618 /nfs/dbraw/zinc/19/56/18/192195618.db2.gz SYKAJQBRLKFLCU-DTWKUNHWSA-N 2 1 237.303 0.828 20 0 BCADMP COC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420318925 192195964 /nfs/dbraw/zinc/19/59/64/192195964.db2.gz QQZNVNMINDIRLY-PWSUYJOCSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302239 192207076 /nfs/dbraw/zinc/20/70/76/192207076.db2.gz BMZPOMJIPWDSGC-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@@H]1CC[NH2+]C1 ZINC000420302239 192207080 /nfs/dbraw/zinc/20/70/80/192207080.db2.gz BMZPOMJIPWDSGC-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301261 192206659 /nfs/dbraw/zinc/20/66/59/192206659.db2.gz LFZAHWUNCWKNGW-NEPJUHHUSA-N 2 1 244.404 0.786 20 0 BCADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000617759508 356316053 /nfs/dbraw/zinc/31/60/53/356316053.db2.gz IRFFJMZHLYGGOH-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@@H+](CC(=O)NCC[C@H](C)[NH+](C)C)C1CC1 ZINC000617755969 356316639 /nfs/dbraw/zinc/31/66/39/356316639.db2.gz ZLUPHQDHVPYKLI-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420316553 192213152 /nfs/dbraw/zinc/21/31/52/192213152.db2.gz YIYXZQIANOSCJS-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+][C@H](C)[C@@H]2C)CCO1 ZINC000420315510 192213380 /nfs/dbraw/zinc/21/33/80/192213380.db2.gz RSOZSQAQUGFIBT-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+][C@H](C)[C@@H]2C)CCO1 ZINC000420315510 192213381 /nfs/dbraw/zinc/21/33/81/192213381.db2.gz RSOZSQAQUGFIBT-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332530 192214033 /nfs/dbraw/zinc/21/40/33/192214033.db2.gz RUNTVKIOROCUBD-GHMZBOCLSA-N 2 1 226.320 0.481 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332539 192214509 /nfs/dbraw/zinc/21/45/09/192214509.db2.gz RUNTVKIOROCUBD-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CC[NH2+]C1 ZINC000420342546 192216842 /nfs/dbraw/zinc/21/68/42/192216842.db2.gz QXTGYJCSYDYRDO-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420353021 192218172 /nfs/dbraw/zinc/21/81/72/192218172.db2.gz BEQYVHHLCXELFL-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000420352693 192218418 /nfs/dbraw/zinc/21/84/18/192218418.db2.gz ASRPYOLJUSKZRU-LLVKDONJSA-N 2 1 216.325 0.319 20 0 BCADMP COC[C@@](C)(CCO)[NH2+]CCc1c[nH+]cn1C ZINC000639513389 356350712 /nfs/dbraw/zinc/35/07/12/356350712.db2.gz RGFSZYQPNHCNPH-GFCCVEGCSA-N 2 1 241.335 0.340 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250824116 181268148 /nfs/dbraw/zinc/26/81/48/181268148.db2.gz GWGBYWACNLWZSG-NEPJUHHUSA-N 2 1 239.363 0.716 20 0 BCADMP O=C1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1C1CC1 ZINC000420307152 192209550 /nfs/dbraw/zinc/20/95/50/192209550.db2.gz RHEAJQFBRROOSD-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP O=C1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1C1CC1 ZINC000420307152 192209552 /nfs/dbraw/zinc/20/95/52/192209552.db2.gz RHEAJQFBRROOSD-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CCOC(=O)CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000420308782 192211105 /nfs/dbraw/zinc/21/11/05/192211105.db2.gz DEZBXISPOGYKGT-SNVBAGLBSA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420308782 192211107 /nfs/dbraw/zinc/21/11/07/192211107.db2.gz DEZBXISPOGYKGT-SNVBAGLBSA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420308782 192211109 /nfs/dbraw/zinc/21/11/09/192211109.db2.gz DEZBXISPOGYKGT-SNVBAGLBSA-N 2 1 214.309 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420312970 192211257 /nfs/dbraw/zinc/21/12/57/192211257.db2.gz SUDWXZKDYQZCQX-QJPTWQEYSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420313184 192211340 /nfs/dbraw/zinc/21/13/40/192211340.db2.gz PIKDTOJHKRQKTK-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000420313184 192211341 /nfs/dbraw/zinc/21/13/41/192211341.db2.gz PIKDTOJHKRQKTK-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP CO[C@@H](C)C[N@@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000420314591 192212612 /nfs/dbraw/zinc/21/26/12/192212612.db2.gz ZBSJHJCCAPDUDB-ZDUSSCGKSA-N 2 1 243.395 0.637 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCn1cccn1 ZINC000420313429 192212829 /nfs/dbraw/zinc/21/28/29/192212829.db2.gz JBNZTGBCKKBVGL-GFCCVEGCSA-N 2 1 222.336 0.815 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000420366828 192225930 /nfs/dbraw/zinc/22/59/30/192225930.db2.gz MOMCXQAPAJMINH-KKOKHZNYSA-N 2 1 212.337 0.999 20 0 BCADMP CCC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420370864 192226867 /nfs/dbraw/zinc/22/68/67/192226867.db2.gz ZIPIVQQLUWWHDZ-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CCC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420370864 192226870 /nfs/dbraw/zinc/22/68/70/192226870.db2.gz ZIPIVQQLUWWHDZ-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP C[C@@H]1CN(CC[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000420328985 192228963 /nfs/dbraw/zinc/22/89/63/192228963.db2.gz IPLZWINDGFPPIY-VOMCLLRMSA-N 2 1 227.352 0.129 20 0 BCADMP COC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420327260 192229949 /nfs/dbraw/zinc/22/99/49/192229949.db2.gz YAEQNDRCRUQGDS-SNVBAGLBSA-N 2 1 202.298 0.513 20 0 BCADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360746 192222126 /nfs/dbraw/zinc/22/21/26/192222126.db2.gz MCVGGNLAFJMUNF-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+](CCCc1ccsc1)C[C@H](O)C[NH3+] ZINC000420359417 192222537 /nfs/dbraw/zinc/22/25/37/192222537.db2.gz VYNUNVAKBOZJDO-LLVKDONJSA-N 2 1 228.361 0.932 20 0 BCADMP C[N@@H+](CCCc1ccsc1)C[C@@H](O)C[NH3+] ZINC000420359419 192222806 /nfs/dbraw/zinc/22/28/06/192222806.db2.gz VYNUNVAKBOZJDO-NSHDSACASA-N 2 1 228.361 0.932 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000420365861 192223551 /nfs/dbraw/zinc/22/35/51/192223551.db2.gz SWPBOAHCJHDGAJ-JTQLQIEISA-N 2 1 214.309 0.623 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367397 192225090 /nfs/dbraw/zinc/22/50/90/192225090.db2.gz VRFIRTJHBBFRMM-GHMZBOCLSA-N 2 1 228.336 0.727 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389686 192234477 /nfs/dbraw/zinc/23/44/77/192234477.db2.gz MIIZWWZEGVSXSZ-CHWSQXEVSA-N 2 1 242.363 0.995 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389689 192235339 /nfs/dbraw/zinc/23/53/39/192235339.db2.gz MIIZWWZEGVSXSZ-QWHCGFSZSA-N 2 1 242.363 0.995 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420392349 192237561 /nfs/dbraw/zinc/23/75/61/192237561.db2.gz PJQVEFFKQSCSOZ-NSHDSACASA-N 2 1 244.335 0.378 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420392349 192237563 /nfs/dbraw/zinc/23/75/63/192237563.db2.gz PJQVEFFKQSCSOZ-NSHDSACASA-N 2 1 244.335 0.378 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420419822 192241217 /nfs/dbraw/zinc/24/12/17/192241217.db2.gz XUOIFFHXSALCEW-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379986 192233774 /nfs/dbraw/zinc/23/37/74/192233774.db2.gz BYDVGSCPTJIJLJ-CHWSQXEVSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379986 192233776 /nfs/dbraw/zinc/23/37/76/192233776.db2.gz BYDVGSCPTJIJLJ-CHWSQXEVSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@@H]1CC(=O)NCC[N@H+]1CCc1cncn1C ZINC000639552060 356439739 /nfs/dbraw/zinc/43/97/39/356439739.db2.gz XJIWPBDROYYGKH-SNVBAGLBSA-N 2 1 236.319 0.173 20 0 BCADMP CC[NH+](CCC[N@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352220535 134109145 /nfs/dbraw/zinc/10/91/45/134109145.db2.gz IFBKPKMKTKTJGZ-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412390 356483220 /nfs/dbraw/zinc/48/32/20/356483220.db2.gz NEUYQFLDSSDPKS-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CN(C(=O)[C@@H]1CSC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019802034 356484863 /nfs/dbraw/zinc/48/48/63/356484863.db2.gz USDNVYXAFRHEGI-JTQLQIEISA-N 2 1 243.376 0.202 20 0 BCADMP C[NH+]1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000088170308 491094993 /nfs/dbraw/zinc/09/49/93/491094993.db2.gz NKTOGJAYRVCDPU-UHFFFAOYSA-N 2 1 200.326 0.689 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H](CC)C(=O)NC)CC1 ZINC000449773849 202032544 /nfs/dbraw/zinc/03/25/44/202032544.db2.gz KUGSWMFHRSEOND-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000336212341 134135295 /nfs/dbraw/zinc/13/52/95/134135295.db2.gz OEMDCIUNHCLWGG-JQWIXIFHSA-N 2 1 243.326 0.146 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336212468 134135324 /nfs/dbraw/zinc/13/53/24/134135324.db2.gz ZEPMOWGEPRAPLI-BXKDBHETSA-N 2 1 245.342 0.520 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630088268 363481834 /nfs/dbraw/zinc/48/18/34/363481834.db2.gz ANJAZBZNMKTDFE-MWLCHTKSSA-N 2 1 236.319 0.448 20 0 BCADMP Cn1cncc1CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000639666007 356580424 /nfs/dbraw/zinc/58/04/24/356580424.db2.gz NVUCOUJHVCZPDO-YPMHNXCESA-N 2 1 234.347 0.599 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000630093299 363522675 /nfs/dbraw/zinc/52/26/75/363522675.db2.gz UYCBCJQHGNWQKV-YPMHNXCESA-N 2 1 248.330 0.450 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000167601008 134152642 /nfs/dbraw/zinc/15/26/42/134152642.db2.gz NNJDPDCFIGBVHE-WOPDTQHZSA-N 2 1 212.337 0.940 20 0 BCADMP c1cc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000088288155 356655584 /nfs/dbraw/zinc/65/55/84/356655584.db2.gz PFXKOJNHLALYAV-BETUJISGSA-N 2 1 217.316 0.775 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627226738 363555031 /nfs/dbraw/zinc/55/50/31/363555031.db2.gz QZCIMYFBJQDNMF-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC000639756975 356664126 /nfs/dbraw/zinc/66/41/26/356664126.db2.gz BHOGBFBMIRAVMP-UHFFFAOYSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](CCOCCO)C2)CC1 ZINC000639755395 356657967 /nfs/dbraw/zinc/65/79/67/356657967.db2.gz JSAGCFSIGKGQCZ-UHFFFAOYSA-N 2 1 242.363 0.413 20 0 BCADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000639758812 356669897 /nfs/dbraw/zinc/66/98/97/356669897.db2.gz WQEHLHZPXBHAIT-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP CC[C@H](C[N@H+]1CCC[C@](O)(CN(C)C)C1)OC ZINC000639760862 356675673 /nfs/dbraw/zinc/67/56/73/356675673.db2.gz BWKPDESOHXDBRN-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)OC ZINC000639760862 356675676 /nfs/dbraw/zinc/67/56/76/356675676.db2.gz BWKPDESOHXDBRN-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC(C)[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761941 356680460 /nfs/dbraw/zinc/68/04/60/356680460.db2.gz IBGZQFRUPZSOOE-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761941 356680464 /nfs/dbraw/zinc/68/04/64/356680464.db2.gz IBGZQFRUPZSOOE-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(C)(C)O)C1 ZINC000639763304 356688922 /nfs/dbraw/zinc/68/89/22/356688922.db2.gz PZLBJJOBJRSWEP-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763322 356689039 /nfs/dbraw/zinc/68/90/39/356689039.db2.gz QLRQVCWHLPLZJA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763322 356689041 /nfs/dbraw/zinc/68/90/41/356689041.db2.gz QLRQVCWHLPLZJA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623341945 356742051 /nfs/dbraw/zinc/74/20/51/356742051.db2.gz ZFRJYLPNLBQNFU-LLVKDONJSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623341945 356742054 /nfs/dbraw/zinc/74/20/54/356742054.db2.gz ZFRJYLPNLBQNFU-LLVKDONJSA-N 2 1 241.379 0.973 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000357245503 356820506 /nfs/dbraw/zinc/82/05/06/356820506.db2.gz VDFVQQYQTLQBDF-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387799 356919840 /nfs/dbraw/zinc/91/98/40/356919840.db2.gz WEOOTRKXDUXWLC-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000623393656 357003192 /nfs/dbraw/zinc/00/31/92/357003192.db2.gz MXQYWATUXDOYSM-WDEREUQCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639869345 357015208 /nfs/dbraw/zinc/01/52/08/357015208.db2.gz BDFHFJYGEDROSI-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000582425713 357145835 /nfs/dbraw/zinc/14/58/35/357145835.db2.gz KMUJICHECVJQGG-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000393564977 357287339 /nfs/dbraw/zinc/28/73/39/357287339.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000393564977 357287342 /nfs/dbraw/zinc/28/73/42/357287342.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000393564977 357287344 /nfs/dbraw/zinc/28/73/44/357287344.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP COC(C)(C)C[N@@H+](C)CCOCC[NH3+] ZINC000393607189 357289302 /nfs/dbraw/zinc/28/93/02/357289302.db2.gz ZWFAWHKJTDWDRI-UHFFFAOYSA-N 2 1 204.314 0.319 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000393876236 357304385 /nfs/dbraw/zinc/30/43/85/357304385.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 1 244.379 0.657 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CCCC1(C)C ZINC000393882840 357305104 /nfs/dbraw/zinc/30/51/04/357305104.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000393911920 357307162 /nfs/dbraw/zinc/30/71/62/357307162.db2.gz ADLHEGCUJGDOOD-NSHDSACASA-N 2 1 232.368 0.704 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000393911920 357307164 /nfs/dbraw/zinc/30/71/64/357307164.db2.gz ADLHEGCUJGDOOD-NSHDSACASA-N 2 1 232.368 0.704 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000393342407 357307994 /nfs/dbraw/zinc/30/79/94/357307994.db2.gz GJGFJKMKMOYZQN-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000393342407 357307998 /nfs/dbraw/zinc/30/79/98/357307998.db2.gz GJGFJKMKMOYZQN-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000393342407 357308002 /nfs/dbraw/zinc/30/80/02/357308002.db2.gz GJGFJKMKMOYZQN-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000393342407 357308007 /nfs/dbraw/zinc/30/80/07/357308007.db2.gz GJGFJKMKMOYZQN-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000394071849 357323051 /nfs/dbraw/zinc/32/30/51/357323051.db2.gz KPMGSGJUSBEMPN-DGCLKSJQSA-N 2 1 244.379 0.296 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000394071849 357323053 /nfs/dbraw/zinc/32/30/53/357323053.db2.gz KPMGSGJUSBEMPN-DGCLKSJQSA-N 2 1 244.379 0.296 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000394479664 357351177 /nfs/dbraw/zinc/35/11/77/357351177.db2.gz CNCGXUKUQLIBBR-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000394479664 357351180 /nfs/dbraw/zinc/35/11/80/357351180.db2.gz CNCGXUKUQLIBBR-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000394479664 357351183 /nfs/dbraw/zinc/35/11/83/357351183.db2.gz CNCGXUKUQLIBBR-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000394479671 357351455 /nfs/dbraw/zinc/35/14/55/357351455.db2.gz CNCGXUKUQLIBBR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000394479671 357351460 /nfs/dbraw/zinc/35/14/60/357351460.db2.gz CNCGXUKUQLIBBR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000394479671 357351465 /nfs/dbraw/zinc/35/14/65/357351465.db2.gz CNCGXUKUQLIBBR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582673562 357360332 /nfs/dbraw/zinc/36/03/32/357360332.db2.gz QEEXHNXMEFZCMS-RKDXNWHRSA-N 2 1 247.289 0.181 20 0 BCADMP CC(C)C[C@H](C[NH3+])Cc1nc(C[NH3+])no1 ZINC000582796311 357398068 /nfs/dbraw/zinc/39/80/68/357398068.db2.gz BLWKQHXVTLRGQS-QMMMGPOBSA-N 2 1 212.297 0.692 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408518 357405736 /nfs/dbraw/zinc/40/57/36/357405736.db2.gz YVTXJHWIHXAAGY-VXGBXAGGSA-N 2 1 243.395 0.371 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000582905783 357428588 /nfs/dbraw/zinc/42/85/88/357428588.db2.gz OFLRKZIFZJBPDW-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000582905783 357428591 /nfs/dbraw/zinc/42/85/91/357428591.db2.gz OFLRKZIFZJBPDW-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)O ZINC000395369370 357432984 /nfs/dbraw/zinc/43/29/84/357432984.db2.gz MLGIIGVHEHMXNT-USWWRNFRSA-N 2 1 230.352 0.191 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)O ZINC000395369370 357432991 /nfs/dbraw/zinc/43/29/91/357432991.db2.gz MLGIIGVHEHMXNT-USWWRNFRSA-N 2 1 230.352 0.191 20 0 BCADMP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376867 357434649 /nfs/dbraw/zinc/43/46/49/357434649.db2.gz PWDISCAJOUOXQF-MROQNXINSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376867 357434652 /nfs/dbraw/zinc/43/46/52/357434652.db2.gz PWDISCAJOUOXQF-MROQNXINSA-N 2 1 224.348 0.831 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000392383413 357501106 /nfs/dbraw/zinc/50/11/06/357501106.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 1 237.351 0.585 20 0 BCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023698 357452445 /nfs/dbraw/zinc/45/24/45/357452445.db2.gz GJYRLVSOGAFTIQ-GHMZBOCLSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000583091162 357478491 /nfs/dbraw/zinc/47/84/91/357478491.db2.gz JAZCRBKYMJFWSK-JGVFFNPUSA-N 2 1 235.278 0.227 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000583091164 357478665 /nfs/dbraw/zinc/47/86/65/357478665.db2.gz JAZCRBKYMJFWSK-YUMQZZPRSA-N 2 1 235.278 0.227 20 0 BCADMP Cn1ccc(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000230899245 357578752 /nfs/dbraw/zinc/57/87/52/357578752.db2.gz GLQWCUMXWKYYPO-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415169 357762984 /nfs/dbraw/zinc/76/29/84/357762984.db2.gz BICUMAJUPILOCN-AAEUAGOBSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000192105911 357823179 /nfs/dbraw/zinc/82/31/79/357823179.db2.gz WANAKIFZQQNHHY-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000583272493 357782308 /nfs/dbraw/zinc/78/23/08/357782308.db2.gz MSELOLDOEGQKDX-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000583272493 357782309 /nfs/dbraw/zinc/78/23/09/357782309.db2.gz MSELOLDOEGQKDX-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000583272493 357782310 /nfs/dbraw/zinc/78/23/10/357782310.db2.gz MSELOLDOEGQKDX-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000583272493 357782311 /nfs/dbraw/zinc/78/23/11/357782311.db2.gz MSELOLDOEGQKDX-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022201 357829862 /nfs/dbraw/zinc/82/98/62/357829862.db2.gz DUPWIAHDGFILAL-WXHSDQCUSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022201 357829864 /nfs/dbraw/zinc/82/98/64/357829864.db2.gz DUPWIAHDGFILAL-WXHSDQCUSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022201 357829868 /nfs/dbraw/zinc/82/98/68/357829868.db2.gz DUPWIAHDGFILAL-WXHSDQCUSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022201 357829871 /nfs/dbraw/zinc/82/98/71/357829871.db2.gz DUPWIAHDGFILAL-WXHSDQCUSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132937580 325255375 /nfs/dbraw/zinc/25/53/75/325255375.db2.gz DIDCVDIMUICVEU-RYUDHWBXSA-N 2 1 241.379 0.973 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000234846036 357838835 /nfs/dbraw/zinc/83/88/35/357838835.db2.gz OPBWRIFTZFXABY-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000234846036 357838839 /nfs/dbraw/zinc/83/88/39/357838839.db2.gz OPBWRIFTZFXABY-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235349085 357866699 /nfs/dbraw/zinc/86/66/99/357866699.db2.gz AFRSBEZGIVYQIR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235349085 357866702 /nfs/dbraw/zinc/86/67/02/357866702.db2.gz AFRSBEZGIVYQIR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000398645749 357889092 /nfs/dbraw/zinc/88/90/92/357889092.db2.gz WYLVDWMINFGXIN-MDZLAQPJSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000398645749 357889095 /nfs/dbraw/zinc/88/90/95/357889095.db2.gz WYLVDWMINFGXIN-MDZLAQPJSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399307527 357902062 /nfs/dbraw/zinc/90/20/62/357902062.db2.gz ZVXNQLRDGCYVHI-LLVKDONJSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939329 /nfs/dbraw/zinc/93/93/29/357939329.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939333 /nfs/dbraw/zinc/93/93/33/357939333.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939336 /nfs/dbraw/zinc/93/93/36/357939336.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@](C)(CO)COC ZINC000639958324 357982756 /nfs/dbraw/zinc/98/27/56/357982756.db2.gz SAOUGLCJWVPPNC-LBPRGKRZSA-N 2 1 232.368 0.705 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975720 358001315 /nfs/dbraw/zinc/00/13/15/358001315.db2.gz WBIBOJLNCHCNTP-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000133645545 325306033 /nfs/dbraw/zinc/30/60/33/325306033.db2.gz YCUKUQBTCGTFEB-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000584537396 358048059 /nfs/dbraw/zinc/04/80/59/358048059.db2.gz CXPGLCHGYVRDFQ-GHMZBOCLSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220861626 358055561 /nfs/dbraw/zinc/05/55/61/358055561.db2.gz JWRVXONYFBGRIC-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553406 134248453 /nfs/dbraw/zinc/24/84/53/134248453.db2.gz LBUOIZNILFZBKD-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553406 134248454 /nfs/dbraw/zinc/24/84/54/134248454.db2.gz LBUOIZNILFZBKD-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000037476897 358071541 /nfs/dbraw/zinc/07/15/41/358071541.db2.gz XMQGNXAFUIUCBG-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000037480103 358071661 /nfs/dbraw/zinc/07/16/61/358071661.db2.gz CTFJHAGEYHYQRQ-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037484895 358072750 /nfs/dbraw/zinc/07/27/50/358072750.db2.gz XMMQGGJSKJBKQH-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482590 358072765 /nfs/dbraw/zinc/07/27/65/358072765.db2.gz UOCPWPLUKZRBIV-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482590 358072769 /nfs/dbraw/zinc/07/27/69/358072769.db2.gz UOCPWPLUKZRBIV-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000169110894 134249712 /nfs/dbraw/zinc/24/97/12/134249712.db2.gz ZHTOUSYTAYNHJR-PHIMTYICSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000169110894 134249713 /nfs/dbraw/zinc/24/97/13/134249713.db2.gz ZHTOUSYTAYNHJR-PHIMTYICSA-N 2 1 211.353 0.668 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555125 134248101 /nfs/dbraw/zinc/24/81/01/134248101.db2.gz BSWXODMJASWRNM-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555125 134248102 /nfs/dbraw/zinc/24/81/02/134248102.db2.gz BSWXODMJASWRNM-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252391530 535406127 /nfs/dbraw/zinc/40/61/27/535406127.db2.gz RJKXMPYNIGBTPZ-NOOOWODRSA-N 2 1 241.379 0.829 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252391530 535406129 /nfs/dbraw/zinc/40/61/29/535406129.db2.gz RJKXMPYNIGBTPZ-NOOOWODRSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nncn1C ZINC000222941547 358216114 /nfs/dbraw/zinc/21/61/14/358216114.db2.gz GDKLXWJGJDFOQN-AEJSXWLSSA-N 2 1 223.324 0.736 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000224973041 358242899 /nfs/dbraw/zinc/24/28/99/358242899.db2.gz RPMDZAIXHXCYIB-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226396609 358338192 /nfs/dbraw/zinc/33/81/92/358338192.db2.gz BGJPUERENPFPBQ-AAEUAGOBSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](CNC(=O)C[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000229094137 358345197 /nfs/dbraw/zinc/34/51/97/358345197.db2.gz OHNJAXZOEIJVJW-SECBINFHSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000226869225 358345890 /nfs/dbraw/zinc/34/58/90/358345890.db2.gz ZZSZCJGJSKXNMZ-NTZNESFSSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1nn(C)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000227743799 358362732 /nfs/dbraw/zinc/36/27/32/358362732.db2.gz SONDHUOTAHKUSZ-UHFFFAOYSA-N 2 1 210.325 0.818 20 0 BCADMP Cc1nn(C)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000227743799 358362733 /nfs/dbraw/zinc/36/27/33/358362733.db2.gz SONDHUOTAHKUSZ-UHFFFAOYSA-N 2 1 210.325 0.818 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613661078 363608284 /nfs/dbraw/zinc/60/82/84/363608284.db2.gz RMZGJYUBWMOALI-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538880 358389419 /nfs/dbraw/zinc/38/94/19/358389419.db2.gz OPSVMRKQUWZLCQ-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539016 358390851 /nfs/dbraw/zinc/39/08/51/358390851.db2.gz VSGTXUYRTWDVAS-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000086270689 358567141 /nfs/dbraw/zinc/56/71/41/358567141.db2.gz LJAWZFOCMUHUOJ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000086270687 358567399 /nfs/dbraw/zinc/56/73/99/358567399.db2.gz LJAWZFOCMUHUOJ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000086271923 358573670 /nfs/dbraw/zinc/57/36/70/358573670.db2.gz GFBFLVOYQARZMK-ONGXEEELSA-N 2 1 225.336 0.195 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130648575 358638375 /nfs/dbraw/zinc/63/83/75/358638375.db2.gz DWIFAELSDXRBIG-UMSGYPCISA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130648575 358638380 /nfs/dbraw/zinc/63/83/80/358638380.db2.gz DWIFAELSDXRBIG-UMSGYPCISA-N 2 1 242.363 0.863 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cnnn1C ZINC000129752174 358595975 /nfs/dbraw/zinc/59/59/75/358595975.db2.gz KMXCVRSLSFBBRE-ONGXEEELSA-N 2 1 223.324 0.245 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000167196330 358652774 /nfs/dbraw/zinc/65/27/74/358652774.db2.gz MBTIKOZIVUQAAG-DTWKUNHWSA-N 2 1 201.314 0.180 20 0 BCADMP [NH3+]C1(CNC(=O)[C@H]2CSC[NH2+]2)CCCCC1 ZINC000131517390 358680221 /nfs/dbraw/zinc/68/02/21/358680221.db2.gz ZISRFNXHGKUERX-SECBINFHSA-N 2 1 243.376 0.427 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000176389653 134291178 /nfs/dbraw/zinc/29/11/78/134291178.db2.gz UCIJJWFGPMDNHK-UHFFFAOYSA-N 2 1 215.341 0.347 20 0 BCADMP CCC[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049954048 358708065 /nfs/dbraw/zinc/70/80/65/358708065.db2.gz VHSUGIUGSHELMP-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049954047 358708112 /nfs/dbraw/zinc/70/81/12/358708112.db2.gz VHSUGIUGSHELMP-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000050120200 358716884 /nfs/dbraw/zinc/71/68/84/358716884.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000050120200 358716886 /nfs/dbraw/zinc/71/68/86/358716886.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000050120200 358716889 /nfs/dbraw/zinc/71/68/89/358716889.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249201 358722355 /nfs/dbraw/zinc/72/23/55/358722355.db2.gz YPLWCFLAWWUWHX-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249201 358722358 /nfs/dbraw/zinc/72/23/58/358722358.db2.gz YPLWCFLAWWUWHX-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247009352 359183035 /nfs/dbraw/zinc/18/30/35/359183035.db2.gz QHQGYKRQQMCZLD-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247009352 359183037 /nfs/dbraw/zinc/18/30/37/359183037.db2.gz QHQGYKRQQMCZLD-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247009352 359183039 /nfs/dbraw/zinc/18/30/39/359183039.db2.gz QHQGYKRQQMCZLD-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161598 359197552 /nfs/dbraw/zinc/19/75/52/359197552.db2.gz XUDWYTXXJQBJFB-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252205349 359310868 /nfs/dbraw/zinc/31/08/68/359310868.db2.gz XBRAAYKMEQSXBP-FRRDWIJNSA-N 2 1 244.379 0.845 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CCC[NH2+]1 ZINC000423416509 192749107 /nfs/dbraw/zinc/74/91/07/192749107.db2.gz QTLFZUYTCRRDNM-YVECIDJPSA-N 2 1 242.363 0.911 20 0 BCADMP CC(C)C1CC([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423510273 192798408 /nfs/dbraw/zinc/79/84/08/192798408.db2.gz JLXJLZVMZGKYPA-BPCQOVAHSA-N 2 1 225.380 0.914 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000574992091 359531471 /nfs/dbraw/zinc/53/14/71/359531471.db2.gz WPYSLKIUEMRCKF-PHIMTYICSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578364847 366540597 /nfs/dbraw/zinc/54/05/97/366540597.db2.gz KUZCANZJRPBDQN-VHSXEESVSA-N 2 1 215.341 0.570 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000578669032 366624626 /nfs/dbraw/zinc/62/46/26/366624626.db2.gz YMRVPPQQXDWITM-UTUOFQBUSA-N 3 1 227.352 0.224 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000088129660 359937280 /nfs/dbraw/zinc/93/72/80/359937280.db2.gz JDSBOQXMMBFZGB-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]C[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000578782326 366647441 /nfs/dbraw/zinc/64/74/41/366647441.db2.gz WPDHHHLLELHXAR-QMMMGPOBSA-N 2 1 235.278 0.168 20 0 BCADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000578877899 366664586 /nfs/dbraw/zinc/66/45/86/366664586.db2.gz KZLOFSLOKUTXAJ-IUCAKERBSA-N 2 1 249.305 0.475 20 0 BCADMP CC[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000069732823 360108375 /nfs/dbraw/zinc/10/83/75/360108375.db2.gz OMJPZXJIUPERSR-UHFFFAOYSA-N 2 1 213.325 0.280 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666124 360121726 /nfs/dbraw/zinc/12/17/26/360121726.db2.gz GRXKAPBOLWAQIC-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666124 360121727 /nfs/dbraw/zinc/12/17/27/360121727.db2.gz GRXKAPBOLWAQIC-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666491 360122406 /nfs/dbraw/zinc/12/24/06/360122406.db2.gz DGXLURJTCQBAGI-JHJVBQTASA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666491 360122409 /nfs/dbraw/zinc/12/24/09/360122409.db2.gz DGXLURJTCQBAGI-JHJVBQTASA-N 2 1 240.347 0.618 20 0 BCADMP CCN(CC[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000626950556 360529701 /nfs/dbraw/zinc/52/97/01/360529701.db2.gz URXUARBYGQDBQG-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822679 360925938 /nfs/dbraw/zinc/92/59/38/360925938.db2.gz NTRFOANFQOITMM-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP Cc1ncccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629386932 361038683 /nfs/dbraw/zinc/03/86/83/361038683.db2.gz ADZHOTHKMVSGKU-UHFFFAOYSA-N 2 1 235.331 0.988 20 0 BCADMP CCN1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629392653 361042392 /nfs/dbraw/zinc/04/23/92/361042392.db2.gz RINOZKTYUYBKQE-UHFFFAOYSA-N 2 1 229.368 0.296 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629521486 361117921 /nfs/dbraw/zinc/11/79/21/361117921.db2.gz SWSFQNVSVGQOKA-MWLCHTKSSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629521486 361117924 /nfs/dbraw/zinc/11/79/24/361117924.db2.gz SWSFQNVSVGQOKA-MWLCHTKSSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629519619 361119063 /nfs/dbraw/zinc/11/90/63/361119063.db2.gz DVLDIWJCWKBQBC-NWDGAFQWSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629530329 361144582 /nfs/dbraw/zinc/14/45/82/361144582.db2.gz CQOIKDLCDQSBBV-CYBMUJFWSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1c[nH+]ccc1N ZINC000629524373 361124118 /nfs/dbraw/zinc/12/41/18/361124118.db2.gz PYCQXDLSDZWJHH-IWSPIJDZSA-N 2 1 234.303 0.409 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000629525736 361126311 /nfs/dbraw/zinc/12/63/11/361126311.db2.gz AIQMHOOTUJQKIP-WRWGMCAJSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@H](O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000158588905 361205488 /nfs/dbraw/zinc/20/54/88/361205488.db2.gz ZZOACBUQTAJTEL-JTQLQIEISA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424368629 200923745 /nfs/dbraw/zinc/92/37/45/200923745.db2.gz BLWWJFMDDVWJLU-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP O[C@]12C[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000640483002 361258079 /nfs/dbraw/zinc/25/80/79/361258079.db2.gz UINGQJFVUOTFOW-STQMWFEESA-N 2 1 224.348 0.929 20 0 BCADMP O[C@]12C[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000640483002 361258081 /nfs/dbraw/zinc/25/80/81/361258081.db2.gz UINGQJFVUOTFOW-STQMWFEESA-N 2 1 224.348 0.929 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000044726843 181327860 /nfs/dbraw/zinc/32/78/60/181327860.db2.gz NPWJVJBQXIVNHV-SNVBAGLBSA-N 2 1 237.347 0.611 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000579229569 366739968 /nfs/dbraw/zinc/73/99/68/366739968.db2.gz JBELVLOMCLUJIE-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950103 201051868 /nfs/dbraw/zinc/05/18/68/201051868.db2.gz DDVVLYLHULQPSB-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954362 201052608 /nfs/dbraw/zinc/05/26/08/201052608.db2.gz IIEKNKOSGXTBCU-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429061998 201063200 /nfs/dbraw/zinc/06/32/00/201063200.db2.gz DAGPVJPBZVJWPN-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429104438 201068119 /nfs/dbraw/zinc/06/81/19/201068119.db2.gz OULCBUMIQJMFGQ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189009 201078854 /nfs/dbraw/zinc/07/88/54/201078854.db2.gz ATRJMORIIAZFKA-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000429335029 201101091 /nfs/dbraw/zinc/10/10/91/201101091.db2.gz NTZVMZSLBVTCPC-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CNC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539407 201113132 /nfs/dbraw/zinc/11/31/32/201113132.db2.gz KXRWZXFFUKDPCN-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH3+] ZINC000429651247 201124971 /nfs/dbraw/zinc/12/49/71/201124971.db2.gz RTQDMXIFEDQIMM-AOOOYVTPSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429657899 201125046 /nfs/dbraw/zinc/12/50/46/201125046.db2.gz NCHPYLDGSDTYQC-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629540592 361414270 /nfs/dbraw/zinc/41/42/70/361414270.db2.gz VDXPFEZJUDFFHK-NEPJUHHUSA-N 3 1 229.368 0.472 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429552118 201113830 /nfs/dbraw/zinc/11/38/30/201113830.db2.gz IALWHJAWVRJFPM-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000629546432 361427203 /nfs/dbraw/zinc/42/72/03/361427203.db2.gz WWNDESOMUPWAEZ-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629546195 361428117 /nfs/dbraw/zinc/42/81/17/361428117.db2.gz OXUHRYAHHXSKNE-YNEHKIRRSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629546195 361428121 /nfs/dbraw/zinc/42/81/21/361428121.db2.gz OXUHRYAHHXSKNE-YNEHKIRRSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC1CCC(C[NH3+])CC1 ZINC000629547870 361431245 /nfs/dbraw/zinc/43/12/45/361431245.db2.gz VUGMAUISBZSJJB-WNYYMSAVSA-N 2 1 211.353 0.844 20 0 BCADMP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000629548255 361433073 /nfs/dbraw/zinc/43/30/73/361433073.db2.gz DQVCAQJQDKLCRB-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000629548255 361433079 /nfs/dbraw/zinc/43/30/79/361433079.db2.gz DQVCAQJQDKLCRB-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C1C[C@@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629553612 361438369 /nfs/dbraw/zinc/43/83/69/361438369.db2.gz BMVSODYCIXCVSY-DDHJBXDOSA-N 2 1 209.337 0.326 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556386 361449716 /nfs/dbraw/zinc/44/97/16/361449716.db2.gz OXUHRYAHHXSKNE-AGIUHOORSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556386 361449719 /nfs/dbraw/zinc/44/97/19/361449719.db2.gz OXUHRYAHHXSKNE-AGIUHOORSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551157 361444442 /nfs/dbraw/zinc/44/44/42/361444442.db2.gz RRVPKEYWBUVIMU-ZDEQEGDKSA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551157 361444449 /nfs/dbraw/zinc/44/44/49/361444449.db2.gz RRVPKEYWBUVIMU-ZDEQEGDKSA-N 2 1 241.379 0.423 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430939999 201158534 /nfs/dbraw/zinc/15/85/34/201158534.db2.gz IITAALJZOHDTAJ-GXSJLCMTSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430939999 201158536 /nfs/dbraw/zinc/15/85/36/201158536.db2.gz IITAALJZOHDTAJ-GXSJLCMTSA-N 2 1 223.320 0.030 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1CCC1 ZINC000629570938 361460632 /nfs/dbraw/zinc/46/06/32/361460632.db2.gz HNGAOZKRUNGROV-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cnccn1 ZINC000629571025 361460800 /nfs/dbraw/zinc/46/08/00/361460800.db2.gz FYESHIFDPRXYST-NSHDSACASA-N 2 1 238.335 0.705 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000629571025 361460802 /nfs/dbraw/zinc/46/08/02/361460802.db2.gz FYESHIFDPRXYST-NSHDSACASA-N 2 1 238.335 0.705 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC[C@@H]1CCCO1 ZINC000629579338 361465575 /nfs/dbraw/zinc/46/55/75/361465575.db2.gz SDBFNNYESRGCMQ-LBPRGKRZSA-N 2 1 246.351 0.089 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581894 361472169 /nfs/dbraw/zinc/47/21/69/361472169.db2.gz JFQYUBMLYYQSEF-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430940950 201160265 /nfs/dbraw/zinc/16/02/65/201160265.db2.gz SLKUAVDOPYDLLX-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430940950 201160269 /nfs/dbraw/zinc/16/02/69/201160269.db2.gz SLKUAVDOPYDLLX-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000629595430 361482243 /nfs/dbraw/zinc/48/22/43/361482243.db2.gz PCBQRSZSDJZSIZ-LBPRGKRZSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000629595430 361482248 /nfs/dbraw/zinc/48/22/48/361482248.db2.gz PCBQRSZSDJZSIZ-LBPRGKRZSA-N 2 1 227.352 0.587 20 0 BCADMP CC(=O)NC[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000629595184 361482401 /nfs/dbraw/zinc/48/24/01/361482401.db2.gz KTLVWJXKCSTSKZ-LLVKDONJSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629593187 361484982 /nfs/dbraw/zinc/48/49/82/361484982.db2.gz HQRBVDUVWNBVEJ-MCIONIFRSA-N 3 1 237.391 0.917 20 0 BCADMP Cc1ncccc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000629598560 361488570 /nfs/dbraw/zinc/48/85/70/361488570.db2.gz NFSNCAAAYYMZBT-AWEZNQCLSA-N 2 1 249.358 0.935 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000629598560 361488576 /nfs/dbraw/zinc/48/85/76/361488576.db2.gz NFSNCAAAYYMZBT-AWEZNQCLSA-N 2 1 249.358 0.935 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660312 361565253 /nfs/dbraw/zinc/56/52/53/361565253.db2.gz RJRRLUUTVOSUDB-PWSUYJOCSA-N 3 1 211.353 0.716 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629649994 361546613 /nfs/dbraw/zinc/54/66/13/361546613.db2.gz NMPFRGSZSPVZGM-CHWSQXEVSA-N 2 1 240.347 0.629 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)COC ZINC000629652655 361551189 /nfs/dbraw/zinc/55/11/89/361551189.db2.gz BDGSWYHDIAAGTL-LLVKDONJSA-N 2 1 218.341 0.437 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCOC1 ZINC000629654379 361551412 /nfs/dbraw/zinc/55/14/12/361551412.db2.gz QAOPRYNAOMZYST-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629653186 361553411 /nfs/dbraw/zinc/55/34/11/361553411.db2.gz HSTSBYPFUDMAGI-STQMWFEESA-N 3 1 243.395 0.542 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cnc2ccccn12 ZINC000629662915 361595468 /nfs/dbraw/zinc/59/54/68/361595468.db2.gz IFYBJGCBANDJSM-UHFFFAOYSA-N 2 1 248.330 0.741 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cnc2cnccn12 ZINC000629664613 361595671 /nfs/dbraw/zinc/59/56/71/361595671.db2.gz OZRJPBPHGHJUOA-UHFFFAOYSA-N 2 1 249.318 0.136 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CC[C@H](C)[NH3+] ZINC000434674819 201232262 /nfs/dbraw/zinc/23/22/62/201232262.db2.gz WRZDLQJGQCMWCC-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434707046 201235874 /nfs/dbraw/zinc/23/58/74/201235874.db2.gz PFZXBEVXLLRBQO-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434712116 201236053 /nfs/dbraw/zinc/23/60/53/201236053.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCOC1 ZINC000154352252 201275096 /nfs/dbraw/zinc/27/50/96/201275096.db2.gz DKFPZIWBPCYLKN-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000436067725 201308074 /nfs/dbraw/zinc/30/80/74/201308074.db2.gz URUGZSTUVVICNG-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1[NH2+]CCN(CCC[NH+]2CCOCC2)[C@H]1C ZINC000436067728 201308630 /nfs/dbraw/zinc/30/86/30/201308630.db2.gz URUGZSTUVVICNG-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417616433 219912868 /nfs/dbraw/zinc/91/28/68/219912868.db2.gz ZCVFBQDZAUJBRU-UHFFFAOYSA-N 2 1 230.356 0.366 20 0 BCADMP [NH3+]CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000019687516 181350286 /nfs/dbraw/zinc/35/02/86/181350286.db2.gz RFEZNZURLKCXQU-UHFFFAOYSA-N 2 1 247.342 0.332 20 0 BCADMP [NH3+]CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000229010260 181352121 /nfs/dbraw/zinc/35/21/21/181352121.db2.gz VVBCLSLPABRXBX-UHFFFAOYSA-N 2 1 247.342 0.510 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000630387715 364103461 /nfs/dbraw/zinc/10/34/61/364103461.db2.gz YZPXPVFJNRNVSZ-LBPRGKRZSA-N 2 1 236.363 0.942 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605053 364323435 /nfs/dbraw/zinc/32/34/35/364323435.db2.gz VWZKYUAFYNHCTI-NSHDSACASA-N 2 1 235.335 0.626 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398972655 364401284 /nfs/dbraw/zinc/40/12/84/364401284.db2.gz XELDRAKQWDYBJB-GMTAPVOTSA-N 2 1 200.326 0.999 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC000579512083 366841704 /nfs/dbraw/zinc/84/17/04/366841704.db2.gz OXBZWHVWEWNKMK-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC000579512083 366841707 /nfs/dbraw/zinc/84/17/07/366841707.db2.gz OXBZWHVWEWNKMK-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC000579512083 366841712 /nfs/dbraw/zinc/84/17/12/366841712.db2.gz OXBZWHVWEWNKMK-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000140259123 364523303 /nfs/dbraw/zinc/52/33/03/364523303.db2.gz HXZAQEZNAXPUCA-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000615303207 364681358 /nfs/dbraw/zinc/68/13/58/364681358.db2.gz QVURRSMFHFYMSP-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000567351352 364728941 /nfs/dbraw/zinc/72/89/41/364728941.db2.gz JBLXPXTVYNOJJA-RITPCOANSA-N 2 1 228.321 0.067 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573447194 364834966 /nfs/dbraw/zinc/83/49/66/364834966.db2.gz BFDJADRTJMQATN-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445405 364835258 /nfs/dbraw/zinc/83/52/58/364835258.db2.gz VEIBTKZVHDWSEP-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP [NH3+]Cc1noc([C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000573487716 364845699 /nfs/dbraw/zinc/84/56/99/364845699.db2.gz JUYWMRSDWOZLMD-VIFPVBQESA-N 2 1 236.250 0.758 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000573608659 364874145 /nfs/dbraw/zinc/87/41/45/364874145.db2.gz ALOQFFWDCSWMLG-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC1CCOCC1 ZINC000574046941 364975032 /nfs/dbraw/zinc/97/50/32/364975032.db2.gz QSUVOAHGXJZTAO-CYBMUJFWSA-N 2 1 244.379 0.705 20 0 BCADMP [NH3+]Cc1nc(C(=O)NCC2([NH3+])CCC2)cs1 ZINC000574450174 365063206 /nfs/dbraw/zinc/06/32/06/365063206.db2.gz JVGGGYAKZJXRNC-UHFFFAOYSA-N 2 1 240.332 0.213 20 0 BCADMP C(CC1CC[NH2+]CC1)C[NH+]1CCNCC1 ZINC000238010945 541451627 /nfs/dbraw/zinc/45/16/27/541451627.db2.gz JSUYQYVKEGCVKR-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756802 365137131 /nfs/dbraw/zinc/13/71/31/365137131.db2.gz DKMJSQUARCHKIL-FRRDWIJNSA-N 3 1 223.364 0.670 20 0 BCADMP C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756802 365137137 /nfs/dbraw/zinc/13/71/37/365137137.db2.gz DKMJSQUARCHKIL-FRRDWIJNSA-N 2 1 223.364 0.670 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000574699908 365124823 /nfs/dbraw/zinc/12/48/23/365124823.db2.gz MQXVLXHTJKRCLF-MRVPVSSYSA-N 2 1 237.294 0.604 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444164615 193038315 /nfs/dbraw/zinc/03/83/15/193038315.db2.gz GDGSOMRTVARXLM-AAEUAGOBSA-N 2 1 239.363 0.442 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444172536 193039121 /nfs/dbraw/zinc/03/91/21/193039121.db2.gz BALAATGFDNSKSL-AAEUAGOBSA-N 2 1 248.330 0.307 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179217 193039211 /nfs/dbraw/zinc/03/92/11/193039211.db2.gz YTGBDQPHAHTJKE-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444179016 193039286 /nfs/dbraw/zinc/03/92/86/193039286.db2.gz CEOTZHNHRLMOPU-NTZNESFSSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444179016 193039288 /nfs/dbraw/zinc/03/92/88/193039288.db2.gz CEOTZHNHRLMOPU-NTZNESFSSA-N 2 1 237.347 0.149 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]1 ZINC000444177211 193039862 /nfs/dbraw/zinc/03/98/62/193039862.db2.gz SZSQZGSEQNWFMN-GARJFASQSA-N 2 1 223.320 0.091 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444179018 193040250 /nfs/dbraw/zinc/04/02/50/193040250.db2.gz CEOTZHNHRLMOPU-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444179018 193040253 /nfs/dbraw/zinc/04/02/53/193040253.db2.gz CEOTZHNHRLMOPU-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2CC[NH2+]2)cc[nH+]1 ZINC000444269237 193043766 /nfs/dbraw/zinc/04/37/66/193043766.db2.gz LPWDBJVWHDMQGX-SECBINFHSA-N 2 1 220.276 0.448 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)C(C)C ZINC000379827320 365283659 /nfs/dbraw/zinc/28/36/59/365283659.db2.gz XJCPSIMZIFSAST-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C(C)C ZINC000379827320 365283663 /nfs/dbraw/zinc/28/36/63/365283663.db2.gz XJCPSIMZIFSAST-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)C(C)C ZINC000379827320 365283668 /nfs/dbraw/zinc/28/36/68/365283668.db2.gz XJCPSIMZIFSAST-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C(C)C ZINC000379827320 365283671 /nfs/dbraw/zinc/28/36/71/365283671.db2.gz XJCPSIMZIFSAST-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]1C(=O)NCCN1CCCc1c[nH+]cn1C ZINC000575759673 365356461 /nfs/dbraw/zinc/35/64/61/365356461.db2.gz UWTIHJSKENDVEC-SNVBAGLBSA-N 2 1 236.319 0.173 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575923850 365416690 /nfs/dbraw/zinc/41/66/90/365416690.db2.gz NNLHJLDZCQHOGT-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CF ZINC000575879065 365404214 /nfs/dbraw/zinc/40/42/14/365404214.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 1 218.316 0.733 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575917324 365412200 /nfs/dbraw/zinc/41/22/00/365412200.db2.gz UYPWFQBEWVJSCJ-HBNTYKKESA-N 2 1 232.393 0.783 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989077 365436697 /nfs/dbraw/zinc/43/66/97/365436697.db2.gz NOONYBGDYKDEAC-RYUDHWBXSA-N 2 1 211.353 0.527 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000173881522 365454126 /nfs/dbraw/zinc/45/41/26/365454126.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP COC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000579583119 366889892 /nfs/dbraw/zinc/88/98/92/366889892.db2.gz DXOGCDCFWGBLAH-WXRRBKDZSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000579597162 366898977 /nfs/dbraw/zinc/89/89/77/366898977.db2.gz AVAFQZOLFYRKSM-LPEHRKFASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607615 366905772 /nfs/dbraw/zinc/90/57/72/366905772.db2.gz HEJJKKAMYXUJPR-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@@H]1CC[NH2+]C1 ZINC000579607615 366905778 /nfs/dbraw/zinc/90/57/78/366905778.db2.gz HEJJKKAMYXUJPR-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607613 366906160 /nfs/dbraw/zinc/90/61/60/366906160.db2.gz HEJJKKAMYXUJPR-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1CC[C@H]1CC[NH2+]C1 ZINC000579607613 366906164 /nfs/dbraw/zinc/90/61/64/366906164.db2.gz HEJJKKAMYXUJPR-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC1(C)C)C1CC1 ZINC000379900374 541476440 /nfs/dbraw/zinc/47/64/40/541476440.db2.gz FGOUWUVTMWADKK-QWRGUYRKSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC1(C)C)C1CC1 ZINC000379900374 541476443 /nfs/dbraw/zinc/47/64/43/541476443.db2.gz FGOUWUVTMWADKK-QWRGUYRKSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000579709844 366986857 /nfs/dbraw/zinc/98/68/57/366986857.db2.gz KAVGVNHHIWDKRC-QXEWZRGKSA-N 2 1 231.315 0.130 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000580823450 367176675 /nfs/dbraw/zinc/17/66/75/367176675.db2.gz PSKIAZWFYVHWCB-LLVKDONJSA-N 2 1 233.315 0.860 20 0 BCADMP C[C@H]1OCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000380493567 367223783 /nfs/dbraw/zinc/22/37/83/367223783.db2.gz BLWRMANSKIUWDX-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000380493556 367224438 /nfs/dbraw/zinc/22/44/38/367224438.db2.gz BLWRMANSKIUWDX-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021521 367240012 /nfs/dbraw/zinc/24/00/12/367240012.db2.gz YIEIOKLVCLHYCZ-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000381063512 367345150 /nfs/dbraw/zinc/34/51/50/367345150.db2.gz LWBHNMZSBUWMEY-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542690 367303699 /nfs/dbraw/zinc/30/36/99/367303699.db2.gz DKJACDWDPXAVMH-SDDRHHMPSA-N 2 1 212.337 0.762 20 0 BCADMP COC[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542690 367303701 /nfs/dbraw/zinc/30/37/01/367303701.db2.gz DKJACDWDPXAVMH-SDDRHHMPSA-N 2 1 212.337 0.762 20 0 BCADMP COC[C@@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542690 367303703 /nfs/dbraw/zinc/30/37/03/367303703.db2.gz DKJACDWDPXAVMH-SDDRHHMPSA-N 2 1 212.337 0.762 20 0 BCADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000380971546 367326794 /nfs/dbraw/zinc/32/67/94/367326794.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 1 232.368 0.656 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381362846 367387902 /nfs/dbraw/zinc/38/79/02/367387902.db2.gz FKLMBQMSAHWEDL-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381362846 367387908 /nfs/dbraw/zinc/38/79/08/367387908.db2.gz FKLMBQMSAHWEDL-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000381438770 367404898 /nfs/dbraw/zinc/40/48/98/367404898.db2.gz YPLUTMYGKNYEDY-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000381438770 367404905 /nfs/dbraw/zinc/40/49/05/367404905.db2.gz YPLUTMYGKNYEDY-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@H]1C ZINC000581437606 367471111 /nfs/dbraw/zinc/47/11/11/367471111.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000581437606 367471115 /nfs/dbraw/zinc/47/11/15/367471115.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000581437606 367471118 /nfs/dbraw/zinc/47/11/18/367471118.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000383490199 367629375 /nfs/dbraw/zinc/62/93/75/367629375.db2.gz AROHQUKLIDPFTK-YPMHNXCESA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000383490199 367629378 /nfs/dbraw/zinc/62/93/78/367629378.db2.gz AROHQUKLIDPFTK-YPMHNXCESA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383301356 367611737 /nfs/dbraw/zinc/61/17/37/367611737.db2.gz HQKMKFLNNHYSPR-CMPLNLGQSA-N 2 1 239.363 0.727 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600685 367642682 /nfs/dbraw/zinc/64/26/82/367642682.db2.gz QCZWVLGCFBNUSA-QWHCGFSZSA-N 2 1 244.379 0.702 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600685 367642686 /nfs/dbraw/zinc/64/26/86/367642686.db2.gz QCZWVLGCFBNUSA-QWHCGFSZSA-N 2 1 244.379 0.702 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCOCC1 ZINC000383679961 367648613 /nfs/dbraw/zinc/64/86/13/367648613.db2.gz QMTLHARXRNLIQU-YPMHNXCESA-N 2 1 244.379 0.704 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383855343 367656000 /nfs/dbraw/zinc/65/60/00/367656000.db2.gz MWUGFKRZKMKERU-BETUJISGSA-N 2 1 242.363 0.581 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COC(C)C ZINC000383743172 367651467 /nfs/dbraw/zinc/65/14/67/367651467.db2.gz CQKVTVDOSBTZTB-LBPRGKRZSA-N 2 1 241.335 0.567 20 0 BCADMP [NH3+]CCCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566010569 325983741 /nfs/dbraw/zinc/98/37/41/325983741.db2.gz JJWQEJLFCVHNDA-MRVPVSSYSA-N 2 1 235.278 0.181 20 0 BCADMP C[C@H](CCCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384445052 367691139 /nfs/dbraw/zinc/69/11/39/367691139.db2.gz ZFPQGJQAIUFBLR-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CCCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384445052 367691145 /nfs/dbraw/zinc/69/11/45/367691145.db2.gz ZFPQGJQAIUFBLR-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CCCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384445051 367691182 /nfs/dbraw/zinc/69/11/82/367691182.db2.gz ZFPQGJQAIUFBLR-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CCCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384445051 367691190 /nfs/dbraw/zinc/69/11/90/367691190.db2.gz ZFPQGJQAIUFBLR-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793650 367732284 /nfs/dbraw/zinc/73/22/84/367732284.db2.gz WEAYSEMKGBQJGW-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC([NH3+])C1 ZINC000384923490 367758878 /nfs/dbraw/zinc/75/88/78/367758878.db2.gz BYPRZBHSERPFFX-UHFFFAOYSA-N 2 1 233.315 0.707 20 0 BCADMP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC([NH3+])C1 ZINC000384923490 367758882 /nfs/dbraw/zinc/75/88/82/367758882.db2.gz BYPRZBHSERPFFX-UHFFFAOYSA-N 2 1 233.315 0.707 20 0 BCADMP C[C@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824322 367832502 /nfs/dbraw/zinc/83/25/02/367832502.db2.gz FZTCDCOJBNNTEV-RYUDHWBXSA-N 3 1 211.353 0.575 20 0 BCADMP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000385966756 367891042 /nfs/dbraw/zinc/89/10/42/367891042.db2.gz ZPURBSAZQSWYAJ-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000385966756 367891047 /nfs/dbraw/zinc/89/10/47/367891047.db2.gz ZPURBSAZQSWYAJ-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000386377110 367958467 /nfs/dbraw/zinc/95/84/67/367958467.db2.gz QYZQPKFJWFDZSC-STQMWFEESA-N 2 1 244.379 0.440 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CO ZINC000039118715 368273318 /nfs/dbraw/zinc/27/33/18/368273318.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CO ZINC000039118715 368273326 /nfs/dbraw/zinc/27/33/26/368273326.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CO ZINC000039118715 368273333 /nfs/dbraw/zinc/27/33/33/368273333.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)[C@H]1CC[NH2+]C1 ZINC000566797200 326083723 /nfs/dbraw/zinc/08/37/23/326083723.db2.gz ZDQQJOMPGPMJOA-LBPRGKRZSA-N 2 1 222.336 0.875 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000567159325 326125621 /nfs/dbraw/zinc/12/56/21/326125621.db2.gz GBPQUCCNUZKTFK-QWHCGFSZSA-N 2 1 241.379 0.343 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)C)C1 ZINC000072860468 368782955 /nfs/dbraw/zinc/78/29/55/368782955.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000072860468 368782956 /nfs/dbraw/zinc/78/29/56/368782956.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000072860468 368782957 /nfs/dbraw/zinc/78/29/57/368782957.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000631821332 368972135 /nfs/dbraw/zinc/97/21/35/368972135.db2.gz VKJLVRGCZZRISD-JTQLQIEISA-N 2 1 206.293 0.566 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000631821332 368972141 /nfs/dbraw/zinc/97/21/41/368972141.db2.gz VKJLVRGCZZRISD-JTQLQIEISA-N 2 1 206.293 0.566 20 0 BCADMP CCn1ncnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000088584795 368918767 /nfs/dbraw/zinc/91/87/67/368918767.db2.gz JGKHTICGTLEELA-SNVBAGLBSA-N 2 1 237.351 0.857 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000631828997 369004709 /nfs/dbraw/zinc/00/47/09/369004709.db2.gz DGKCEUVWELMZTJ-YVECIDJPSA-N 2 1 242.363 0.707 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000631828994 369004736 /nfs/dbraw/zinc/00/47/36/369004736.db2.gz DGKCEUVWELMZTJ-FDYHWXHSSA-N 2 1 242.363 0.707 20 0 BCADMP COCCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838744 369122200 /nfs/dbraw/zinc/12/22/00/369122200.db2.gz UNSOWAVXWYRZMZ-GHMZBOCLSA-N 2 1 216.325 0.176 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631839734 369170004 /nfs/dbraw/zinc/17/00/04/369170004.db2.gz KEYOGEJKPGWXBZ-UTUOFQBUSA-N 2 1 239.363 0.522 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000310410436 326192084 /nfs/dbraw/zinc/19/20/84/326192084.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000310410436 326192086 /nfs/dbraw/zinc/19/20/86/326192086.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000310410436 326192087 /nfs/dbraw/zinc/19/20/87/326192087.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000310410436 326192089 /nfs/dbraw/zinc/19/20/89/326192089.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CCC[NH+]1CCOCC1 ZINC000631860901 369469319 /nfs/dbraw/zinc/46/93/19/369469319.db2.gz RGPDRWNOHPSEHN-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H]1COC[C@@H]1OC ZINC000459834494 203375220 /nfs/dbraw/zinc/37/52/20/203375220.db2.gz WDQOAWLZNSAGEE-NEPJUHHUSA-N 2 1 230.352 0.722 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000619900449 369631614 /nfs/dbraw/zinc/63/16/14/369631614.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000619900449 369631619 /nfs/dbraw/zinc/63/16/19/369631619.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000619900449 369631623 /nfs/dbraw/zinc/63/16/23/369631623.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCC[NH3+])C1 ZINC000567982572 326290962 /nfs/dbraw/zinc/29/09/62/326290962.db2.gz BMSOQPTZTUQZJC-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[C@@H](NC(=O)[C@@H]1CCCN1C)c1nccn1C ZINC000620599544 369949079 /nfs/dbraw/zinc/94/90/79/369949079.db2.gz GDXSMKIDQXGCLB-ZJUUUORDSA-N 2 1 236.319 0.692 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699180 370117476 /nfs/dbraw/zinc/11/74/76/370117476.db2.gz RQYDUFDXBXIRNG-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321839 /nfs/dbraw/zinc/32/18/39/326321839.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321842 /nfs/dbraw/zinc/32/18/42/326321842.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321844 /nfs/dbraw/zinc/32/18/44/326321844.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194119 370161426 /nfs/dbraw/zinc/16/14/26/370161426.db2.gz POINZBWRPOJIHR-CMPLNLGQSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194119 370161430 /nfs/dbraw/zinc/16/14/30/370161430.db2.gz POINZBWRPOJIHR-CMPLNLGQSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000309530549 370223530 /nfs/dbraw/zinc/22/35/30/370223530.db2.gz VVAKXVCLNGFZJY-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)CC(C)C ZINC000310572057 370352854 /nfs/dbraw/zinc/35/28/54/370352854.db2.gz ZLRZVVHYEUODQF-ZDUSSCGKSA-N 2 1 246.395 0.903 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)CC(C)C ZINC000310572057 370352860 /nfs/dbraw/zinc/35/28/60/370352860.db2.gz ZLRZVVHYEUODQF-ZDUSSCGKSA-N 2 1 246.395 0.903 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)CC(C)C ZINC000310572057 370352865 /nfs/dbraw/zinc/35/28/65/370352865.db2.gz ZLRZVVHYEUODQF-ZDUSSCGKSA-N 2 1 246.395 0.903 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)CC(C)C ZINC000310572057 370352870 /nfs/dbraw/zinc/35/28/70/370352870.db2.gz ZLRZVVHYEUODQF-ZDUSSCGKSA-N 2 1 246.395 0.903 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310364556 370339889 /nfs/dbraw/zinc/33/98/89/370339889.db2.gz LNUKMLTWUXMPBR-RKDXNWHRSA-N 2 1 249.305 0.427 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310364550 370340479 /nfs/dbraw/zinc/34/04/79/370340479.db2.gz LNUKMLTWUXMPBR-BDAKNGLRSA-N 2 1 249.305 0.427 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621680656 370430075 /nfs/dbraw/zinc/43/00/75/370430075.db2.gz GHWNIJCBKTVENS-WCBMZHEXSA-N 2 1 247.289 0.310 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000621703833 370452141 /nfs/dbraw/zinc/45/21/41/370452141.db2.gz SPTSZQQHKSRMRF-IVZWLZJFSA-N 2 1 213.325 0.180 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785012 370538101 /nfs/dbraw/zinc/53/81/01/370538101.db2.gz XSVQCGNSSZLQOO-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785012 370538103 /nfs/dbraw/zinc/53/81/03/370538103.db2.gz XSVQCGNSSZLQOO-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1=O ZINC000621779165 370528269 /nfs/dbraw/zinc/52/82/69/370528269.db2.gz AZQLCKVBXJTLCS-GXTWGEPZSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1=O ZINC000621779165 370528274 /nfs/dbraw/zinc/52/82/74/370528274.db2.gz AZQLCKVBXJTLCS-GXTWGEPZSA-N 2 1 247.342 0.699 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621897534 370587649 /nfs/dbraw/zinc/58/76/49/370587649.db2.gz AYEGPYDIPKEELP-UHFFFAOYSA-N 2 1 238.335 0.707 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120197 371319885 /nfs/dbraw/zinc/31/98/85/371319885.db2.gz UHPCJRNVALJYSH-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2C)CC[N@H+]1C ZINC000624174263 371365325 /nfs/dbraw/zinc/36/53/25/371365325.db2.gz UVCCXYHPXAQQDR-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1C ZINC000624219012 371407059 /nfs/dbraw/zinc/40/70/59/371407059.db2.gz IMDQSPQNGIAMSO-FIQHERPVSA-N 2 1 212.337 0.830 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000631749628 372550163 /nfs/dbraw/zinc/55/01/63/372550163.db2.gz PUBFVLJQJVCJDU-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631822634 372598504 /nfs/dbraw/zinc/59/85/04/372598504.db2.gz JUWUDYZKNUQLHB-CMPLNLGQSA-N 2 1 237.351 0.728 20 0 BCADMP Cc1nccnc1C[N@H+](C)CCOCC[NH3+] ZINC000631830192 372613324 /nfs/dbraw/zinc/61/33/24/372613324.db2.gz MDIQQJJVGNFSGK-UHFFFAOYSA-N 2 1 224.308 0.192 20 0 BCADMP Cc1nccnc1C[N@@H+](C)CCOCC[NH3+] ZINC000631830192 372613329 /nfs/dbraw/zinc/61/33/29/372613329.db2.gz MDIQQJJVGNFSGK-UHFFFAOYSA-N 2 1 224.308 0.192 20 0 BCADMP Cc1noc(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837064 372627363 /nfs/dbraw/zinc/62/73/63/372627363.db2.gz MJHGGDLPEDEBRP-MWLCHTKSSA-N 2 1 238.335 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000631840317 372636081 /nfs/dbraw/zinc/63/60/81/372636081.db2.gz BQMWGXZVDJHDJR-ZYHUDNBSSA-N 2 1 235.331 0.412 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825885 372603848 /nfs/dbraw/zinc/60/38/48/372603848.db2.gz XVWWUDNZUBWDPB-JQWIXIFHSA-N 2 1 235.335 0.436 20 0 BCADMP OCC[NH2+]C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631862825 372665327 /nfs/dbraw/zinc/66/53/27/372665327.db2.gz OHHWUPLWZNIUOX-LBPRGKRZSA-N 2 1 241.379 0.032 20 0 BCADMP FC(F)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000631865830 372666994 /nfs/dbraw/zinc/66/69/94/372666994.db2.gz POLFHJPCRYKJKR-UWVGGRQHSA-N 2 1 234.290 0.952 20 0 BCADMP FC(F)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000631865830 372666997 /nfs/dbraw/zinc/66/69/97/372666997.db2.gz POLFHJPCRYKJKR-UWVGGRQHSA-N 2 1 234.290 0.952 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889125 372683883 /nfs/dbraw/zinc/68/38/83/372683883.db2.gz GCAHCJQGOILUMJ-RYUDHWBXSA-N 3 1 227.352 0.036 20 0 BCADMP [NH3+]CCOCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889125 372683894 /nfs/dbraw/zinc/68/38/94/372683894.db2.gz GCAHCJQGOILUMJ-RYUDHWBXSA-N 2 1 227.352 0.036 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890737 372686513 /nfs/dbraw/zinc/68/65/13/372686513.db2.gz SOSOXQACWWPQPL-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890737 372686517 /nfs/dbraw/zinc/68/65/17/372686517.db2.gz SOSOXQACWWPQPL-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890549 372687144 /nfs/dbraw/zinc/68/71/44/372687144.db2.gz QHFOHYLJZYIZOE-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890740 372687332 /nfs/dbraw/zinc/68/73/32/372687332.db2.gz SOSOXQACWWPQPL-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890740 372687334 /nfs/dbraw/zinc/68/73/34/372687334.db2.gz SOSOXQACWWPQPL-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726697 182028433 /nfs/dbraw/zinc/02/84/33/182028433.db2.gz PVGSQDHCMWNFJX-MNOVXSKESA-N 2 1 237.347 0.481 20 0 BCADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC000178993081 205646825 /nfs/dbraw/zinc/64/68/25/205646825.db2.gz DNMXSXBOBSLDLX-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000634300667 374126649 /nfs/dbraw/zinc/12/66/49/374126649.db2.gz HETMWTJSPVQEDD-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300818 374128402 /nfs/dbraw/zinc/12/84/02/374128402.db2.gz MPIBTKFUCQAPEP-SNVBAGLBSA-N 2 1 213.325 0.004 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000424129660 206031637 /nfs/dbraw/zinc/03/16/37/206031637.db2.gz GJVGWLNDALQWTP-KKOKHZNYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000424130318 206032879 /nfs/dbraw/zinc/03/28/79/206032879.db2.gz HJXABNVMGASDLD-KXNHARMFSA-N 2 1 239.363 0.570 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000251425212 182301331 /nfs/dbraw/zinc/30/13/31/182301331.db2.gz STCNJOBUEJXWHN-QJPTWQEYSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000037023694 182336762 /nfs/dbraw/zinc/33/67/62/182336762.db2.gz SZHOSNJOPBWCLC-SRVKXCTJSA-N 2 1 237.347 0.481 20 0 BCADMP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250309591 170059483 /nfs/dbraw/zinc/05/94/83/170059483.db2.gz SEGDWIYREPBKFQ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250309591 170059485 /nfs/dbraw/zinc/05/94/85/170059485.db2.gz SEGDWIYREPBKFQ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747649 134311114 /nfs/dbraw/zinc/31/11/14/134311114.db2.gz ARRPBWBTXIVPGO-LBPRGKRZSA-N 2 1 237.347 0.435 20 0 BCADMP OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413893 183056590 /nfs/dbraw/zinc/05/65/90/183056590.db2.gz IIMGOABYLYBMRS-JHJVBQTASA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413893 183056591 /nfs/dbraw/zinc/05/65/91/183056591.db2.gz IIMGOABYLYBMRS-JHJVBQTASA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413893 183056594 /nfs/dbraw/zinc/05/65/94/183056594.db2.gz IIMGOABYLYBMRS-JHJVBQTASA-N 2 1 224.348 0.785 20 0 BCADMP OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360911593 183076156 /nfs/dbraw/zinc/07/61/56/183076156.db2.gz DRXOGGAONBCDEU-UTUOFQBUSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360911593 183076159 /nfs/dbraw/zinc/07/61/59/183076159.db2.gz DRXOGGAONBCDEU-UTUOFQBUSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360911593 183076162 /nfs/dbraw/zinc/07/61/62/183076162.db2.gz DRXOGGAONBCDEU-UTUOFQBUSA-N 2 1 210.321 0.395 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827035 169005835 /nfs/dbraw/zinc/00/58/35/169005835.db2.gz QKSLBPRASHNCQL-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000037480378 169006197 /nfs/dbraw/zinc/00/61/97/169006197.db2.gz POPHMZPVHTZDIX-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726721 169008204 /nfs/dbraw/zinc/00/82/04/169008204.db2.gz BCSCPJHJYOHSDC-PWSUYJOCSA-N 2 1 239.363 0.857 20 0 BCADMP OC[C@H]1[C@@H]2C[N@@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000368334411 183133112 /nfs/dbraw/zinc/13/31/12/183133112.db2.gz WKZHTDJFSRKSBU-ITGUQSILSA-N 2 1 224.348 0.642 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000359258240 169068174 /nfs/dbraw/zinc/06/81/74/169068174.db2.gz DDNCIPAIZTUOKN-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000359254189 169070386 /nfs/dbraw/zinc/07/03/86/169070386.db2.gz SPDHKLVJAWEIJR-SNVBAGLBSA-N 2 1 215.341 0.395 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC ZINC000359249917 169072468 /nfs/dbraw/zinc/07/24/68/169072468.db2.gz YFGKXJDETBAERK-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000359249917 169072471 /nfs/dbraw/zinc/07/24/71/169072471.db2.gz YFGKXJDETBAERK-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000359249917 169072474 /nfs/dbraw/zinc/07/24/74/169072474.db2.gz YFGKXJDETBAERK-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C ZINC000309653827 169073230 /nfs/dbraw/zinc/07/32/30/169073230.db2.gz UVAHUYXYVWCEKK-VIFPVBQESA-N 2 1 201.314 0.052 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357290712 169073268 /nfs/dbraw/zinc/07/32/68/169073268.db2.gz DIDGNZGUYHMXLM-DMDPSCGWSA-N 2 1 241.379 0.831 20 0 BCADMP O[C@@H]1C[N@H+](CCC[NH+]2CCCC2)CC12CC2 ZINC000364864782 183206418 /nfs/dbraw/zinc/20/64/18/183206418.db2.gz VBMLAFQRHKLELG-GFCCVEGCSA-N 2 1 224.348 0.929 20 0 BCADMP O[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)CC12CC2 ZINC000364864782 183206422 /nfs/dbraw/zinc/20/64/22/183206422.db2.gz VBMLAFQRHKLELG-GFCCVEGCSA-N 2 1 224.348 0.929 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000340292132 169077649 /nfs/dbraw/zinc/07/76/49/169077649.db2.gz RVSCWFVFVDFWCB-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000340292132 169077650 /nfs/dbraw/zinc/07/76/50/169077650.db2.gz RVSCWFVFVDFWCB-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000340292132 169077652 /nfs/dbraw/zinc/07/76/52/169077652.db2.gz RVSCWFVFVDFWCB-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000340292132 169077654 /nfs/dbraw/zinc/07/76/54/169077654.db2.gz RVSCWFVFVDFWCB-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000236762344 169078287 /nfs/dbraw/zinc/07/82/87/169078287.db2.gz PANRKCKJPVFITN-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC)C1 ZINC000357925961 169078325 /nfs/dbraw/zinc/07/83/25/169078325.db2.gz CYLNAQHLJBZKMD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000357925961 169078327 /nfs/dbraw/zinc/07/83/27/169078327.db2.gz CYLNAQHLJBZKMD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000357925961 169078329 /nfs/dbraw/zinc/07/83/29/169078329.db2.gz CYLNAQHLJBZKMD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359398419 169067280 /nfs/dbraw/zinc/06/72/80/169067280.db2.gz XRLBDMXLIUMPMW-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@@H]1CCC[NH2+]C1 ZINC000043493584 169094777 /nfs/dbraw/zinc/09/47/77/169094777.db2.gz ODYWSLFLNAANNC-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CCC[NH2+]C1 ZINC000043493584 169094778 /nfs/dbraw/zinc/09/47/78/169094778.db2.gz ODYWSLFLNAANNC-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CCC[NH2+]C ZINC000226406898 169120649 /nfs/dbraw/zinc/12/06/49/169120649.db2.gz KEAPKWFRXCVVTM-UHFFFAOYSA-N 2 1 229.368 0.834 20 0 BCADMP CCC[N@H+](CCC[NH3+])CC(=O)N(C)C ZINC000036731898 169156728 /nfs/dbraw/zinc/15/67/28/169156728.db2.gz DVBJSRZBEKMDER-UHFFFAOYSA-N 2 1 201.314 0.135 20 0 BCADMP CCC[N@@H+](CCC[NH3+])CC(=O)N(C)C ZINC000036731898 169156731 /nfs/dbraw/zinc/15/67/31/169156731.db2.gz DVBJSRZBEKMDER-UHFFFAOYSA-N 2 1 201.314 0.135 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)CCOCCO)CC1 ZINC000304282875 169186031 /nfs/dbraw/zinc/18/60/31/169186031.db2.gz KULWXKXVMQDHKG-UHFFFAOYSA-N 2 1 244.379 0.802 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC)CC1 ZINC000035136283 169189320 /nfs/dbraw/zinc/18/93/20/169189320.db2.gz BVAXHLGFALFTQB-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000236763579 169195234 /nfs/dbraw/zinc/19/52/34/169195234.db2.gz BOBWZNRZRWDKJF-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134899 169199859 /nfs/dbraw/zinc/19/98/59/169199859.db2.gz KKPAKTYDPUGOCM-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751240 169206711 /nfs/dbraw/zinc/20/67/11/169206711.db2.gz CESKDRMLDRUDRE-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250391345 169220640 /nfs/dbraw/zinc/22/06/40/169220640.db2.gz HOCFGBUJMJYYEL-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250391345 169220641 /nfs/dbraw/zinc/22/06/41/169220641.db2.gz HOCFGBUJMJYYEL-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368561460 169387759 /nfs/dbraw/zinc/38/77/59/169387759.db2.gz LKFSDLZUMGACKX-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368561462 169388077 /nfs/dbraw/zinc/38/80/77/169388077.db2.gz LKFSDLZUMGACKX-SFYZADRCSA-N 2 1 235.278 0.179 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815575 134315782 /nfs/dbraw/zinc/31/57/82/134315782.db2.gz HSDPWMBBRFGBOA-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000221284196 134322558 /nfs/dbraw/zinc/32/25/58/134322558.db2.gz VRLADSUTZSUZFZ-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000224045430 134344662 /nfs/dbraw/zinc/34/46/62/134344662.db2.gz HHPWQHLPGUFKJT-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224044661 134344711 /nfs/dbraw/zinc/34/47/11/134344711.db2.gz MAJFXMKLOKIFJY-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226081465 134358690 /nfs/dbraw/zinc/35/86/90/134358690.db2.gz XXJBMHGTUZTWIT-NXEZZACHSA-N 2 1 245.392 0.277 20 0 BCADMP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226324963 134360518 /nfs/dbraw/zinc/36/05/18/134360518.db2.gz VDLATPRSGAZCCJ-NSHDSACASA-N 2 1 232.393 0.784 20 0 BCADMP O=C(C1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812575 383862021 /nfs/dbraw/zinc/86/20/21/383862021.db2.gz GQIMEQAUJLHCFL-GFCCVEGCSA-N 2 1 237.347 0.293 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000309319040 383876955 /nfs/dbraw/zinc/87/69/55/383876955.db2.gz ZTTAOFLPMSWUTN-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP Cn1cnnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569363849 383918966 /nfs/dbraw/zinc/91/89/66/383918966.db2.gz NPBXYMAQWDGWQX-LBPRGKRZSA-N 2 1 249.362 0.637 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449343943 383923686 /nfs/dbraw/zinc/92/36/86/383923686.db2.gz OJMYVLHNFXBOEB-VXGBXAGGSA-N 2 1 241.379 0.688 20 0 BCADMP C[N@@H+](CCNC(=O)CC[NH3+])C1CCCC1 ZINC000071377502 383992269 /nfs/dbraw/zinc/99/22/69/383992269.db2.gz FJRUMEYQCGUUCJ-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C2CC2)CC1 ZINC000335876415 384053681 /nfs/dbraw/zinc/05/36/81/384053681.db2.gz VNZWNSYIUZSUCS-JSGCOSHPSA-N 2 1 249.358 0.293 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000565959174 384032182 /nfs/dbraw/zinc/03/21/82/384032182.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000565959174 384032190 /nfs/dbraw/zinc/03/21/90/384032190.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000565959174 384032196 /nfs/dbraw/zinc/03/21/96/384032196.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000648128659 384072364 /nfs/dbraw/zinc/07/23/64/384072364.db2.gz GZBDPVBFKDMPLX-GZMMTYOYSA-N 2 1 237.303 0.158 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@H+]1C ZINC000648130992 384091500 /nfs/dbraw/zinc/09/15/00/384091500.db2.gz RISDCOGZGZQBQE-NQBHXWOUSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC1CC1 ZINC000405263704 384101180 /nfs/dbraw/zinc/10/11/80/384101180.db2.gz QDTDOYSDTUHCNU-UJNFCWOMSA-N 2 1 225.336 0.369 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000163209062 384164650 /nfs/dbraw/zinc/16/46/50/384164650.db2.gz OJSSRNKBDSNBCQ-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000163209062 384164653 /nfs/dbraw/zinc/16/46/53/384164653.db2.gz OJSSRNKBDSNBCQ-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310496852 384182505 /nfs/dbraw/zinc/18/25/05/384182505.db2.gz IJXAOPXEEQFZQJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](C(=O)N(C)C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599572 384206457 /nfs/dbraw/zinc/20/64/57/384206457.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000132923046 384213341 /nfs/dbraw/zinc/21/33/41/384213341.db2.gz GWTDEJXCYCNVQR-RKDXNWHRSA-N 2 1 213.325 0.323 20 0 BCADMP Cn1cncc1C[NH2+]CC(=O)NC(C)(C)C ZINC000112340277 384217063 /nfs/dbraw/zinc/21/70/63/384217063.db2.gz UXBRODRIJBZAFB-UHFFFAOYSA-N 2 1 224.308 0.424 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648144547 384264140 /nfs/dbraw/zinc/26/41/40/384264140.db2.gz PKHUNTLSEFVKSD-GMTAPVOTSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)([NH3+])CCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000648144598 384265012 /nfs/dbraw/zinc/26/50/12/384265012.db2.gz WWLXXSGSPRKJRV-LBPRGKRZSA-N 2 1 245.342 0.664 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000564986616 384304403 /nfs/dbraw/zinc/30/44/03/384304403.db2.gz AKVOKEAXAJQPCE-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773198 384294226 /nfs/dbraw/zinc/29/42/26/384294226.db2.gz NAVSNAVGFMAKOW-RHYQMDGZSA-N 2 1 237.347 0.276 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397338437 384298650 /nfs/dbraw/zinc/29/86/50/384298650.db2.gz ZEDIGUHTEZIZBC-XQQFMLRXSA-N 2 1 244.379 0.955 20 0 BCADMP CC[NH+](C/C=C/C[N@@H+](CC)CCO)CCO ZINC000123056708 384350191 /nfs/dbraw/zinc/35/01/91/384350191.db2.gz FDRKSNWHUQKEOT-AATRIKPKSA-N 2 1 230.352 0.171 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC000222732817 384398394 /nfs/dbraw/zinc/39/83/94/384398394.db2.gz QCIBDOVOWLACPH-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676991 384404544 /nfs/dbraw/zinc/40/45/44/384404544.db2.gz SUIYMEZWKVNYPX-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983191 384445570 /nfs/dbraw/zinc/44/55/70/384445570.db2.gz FXERRLMPWAGLDD-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C(C)C)C1COC1 ZINC000566425957 384446781 /nfs/dbraw/zinc/44/67/81/384446781.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648145429 384448605 /nfs/dbraw/zinc/44/86/05/384448605.db2.gz ROEUPIVLLDFJLA-ZYUZMQFOSA-N 2 1 213.325 0.179 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000335653175 384439418 /nfs/dbraw/zinc/43/94/18/384439418.db2.gz WCIRDCCNTNBJFF-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)CC(C)C ZINC000037482572 384502611 /nfs/dbraw/zinc/50/26/11/384502611.db2.gz LBWMYKDAAIPGJM-UHFFFAOYSA-N 2 1 213.369 0.870 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484147 384505418 /nfs/dbraw/zinc/50/54/18/384505418.db2.gz ZPNTVKWFQUGPAH-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP O=C1CC[N@H+](CCC[NH+]2CCCC2)CCN1 ZINC000161617398 384508497 /nfs/dbraw/zinc/50/84/97/384508497.db2.gz TYYWBHACSOZKDJ-UHFFFAOYSA-N 2 1 225.336 0.294 20 0 BCADMP O=C1CC[N@@H+](CCC[NH+]2CCCC2)CCN1 ZINC000161617398 384508502 /nfs/dbraw/zinc/50/85/02/384508502.db2.gz TYYWBHACSOZKDJ-UHFFFAOYSA-N 2 1 225.336 0.294 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251642698 384489553 /nfs/dbraw/zinc/48/95/53/384489553.db2.gz SEPUZIDVGRGBDW-AXFHLTTASA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C ZINC000249626303 384519281 /nfs/dbraw/zinc/51/92/81/384519281.db2.gz UCHSGKKDRQIREP-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236649851 384543778 /nfs/dbraw/zinc/54/37/78/384543778.db2.gz VUCFRUWGVVZNCW-GFCCVEGCSA-N 2 1 229.368 0.816 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639418 384544149 /nfs/dbraw/zinc/54/41/49/384544149.db2.gz BZDPNFHLYPCUBC-GMTAPVOTSA-N 2 1 241.379 0.816 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000236710851 384554634 /nfs/dbraw/zinc/55/46/34/384554634.db2.gz VMJCLJXFQGPROX-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CO)CCC1)C1CC1 ZINC000647523506 384554961 /nfs/dbraw/zinc/55/49/61/384554961.db2.gz RQHOOJHONNEOLM-LBPRGKRZSA-N 2 1 242.363 0.194 20 0 BCADMP COCC[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566120035 384538227 /nfs/dbraw/zinc/53/82/27/384538227.db2.gz FBOHVUNWFBYTGV-YPMHNXCESA-N 2 1 244.379 0.704 20 0 BCADMP COCC[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566120035 384538229 /nfs/dbraw/zinc/53/82/29/384538229.db2.gz FBOHVUNWFBYTGV-YPMHNXCESA-N 2 1 244.379 0.704 20 0 BCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH3+] ZINC000236753560 384570771 /nfs/dbraw/zinc/57/07/71/384570771.db2.gz UGVIWWGFIYIDOP-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124160 384580030 /nfs/dbraw/zinc/58/00/30/384580030.db2.gz UJHLXTSLQCIDNS-FVCCEPFGSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124160 384580036 /nfs/dbraw/zinc/58/00/36/384580036.db2.gz UJHLXTSLQCIDNS-FVCCEPFGSA-N 2 1 224.348 0.830 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975862 384583448 /nfs/dbraw/zinc/58/34/48/384583448.db2.gz KRCJJIAHBZYZTD-AEJSXWLSSA-N 2 1 211.309 0.029 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523663171 259654171 /nfs/dbraw/zinc/65/41/71/259654171.db2.gz RDXVEEMSLZWVKH-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747061 384592660 /nfs/dbraw/zinc/59/26/60/384592660.db2.gz OTZDRQSWEKAPAS-FOSCPWQOSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872440 384601125 /nfs/dbraw/zinc/60/11/25/384601125.db2.gz TXXCPWOVVMIACV-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534045 384645394 /nfs/dbraw/zinc/64/53/94/384645394.db2.gz FKTPYXXGBGFUMF-CHWSQXEVSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534045 384645399 /nfs/dbraw/zinc/64/53/99/384645399.db2.gz FKTPYXXGBGFUMF-CHWSQXEVSA-N 3 1 223.364 0.670 20 0 BCADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000044533825 384659190 /nfs/dbraw/zinc/65/91/90/384659190.db2.gz UISWQPMMOZLYFB-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000044533825 384659201 /nfs/dbraw/zinc/65/92/01/384659201.db2.gz UISWQPMMOZLYFB-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000300359102 384684190 /nfs/dbraw/zinc/68/41/90/384684190.db2.gz MTNSINHKECHIKY-VHSXEESVSA-N 2 1 215.341 0.570 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000300359982 384686638 /nfs/dbraw/zinc/68/66/38/384686638.db2.gz QVNOYBUESTUPKG-UTUOFQBUSA-N 2 1 230.352 0.720 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178838458 384709874 /nfs/dbraw/zinc/70/98/74/384709874.db2.gz SDBCGCNKARXOEA-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236873141 384718891 /nfs/dbraw/zinc/71/88/91/384718891.db2.gz HIVPROXZAQFOSF-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932343 384722637 /nfs/dbraw/zinc/72/26/37/384722637.db2.gz MHILTEGARHRASF-LPEHRKFASA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000335028464 384777290 /nfs/dbraw/zinc/77/72/90/384777290.db2.gz LEYFCGXRRUNIMB-MWLCHTKSSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000335028464 384777296 /nfs/dbraw/zinc/77/72/96/384777296.db2.gz LEYFCGXRRUNIMB-MWLCHTKSSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000518183949 384777411 /nfs/dbraw/zinc/77/74/11/384777411.db2.gz QZRQSJKZQOCXPF-QMMMGPOBSA-N 2 1 222.292 0.827 20 0 BCADMP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCOC1 ZINC000359427336 384728351 /nfs/dbraw/zinc/72/83/51/384728351.db2.gz PGRYPESBZFOEHF-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546222 384728980 /nfs/dbraw/zinc/72/89/80/384728980.db2.gz GBMZLJAFTWPZSD-LOWDOPEQSA-N 3 1 223.364 0.701 20 0 BCADMP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546420 384730963 /nfs/dbraw/zinc/73/09/63/384730963.db2.gz JLEPFRWRSXTKPY-XQHKEYJVSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547258 384735797 /nfs/dbraw/zinc/73/57/97/384735797.db2.gz TTZYRYSQRVKGMJ-NWDGAFQWSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547019 384736402 /nfs/dbraw/zinc/73/64/02/384736402.db2.gz KXRBTOQLEMBYIU-VXGBXAGGSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547018 384737033 /nfs/dbraw/zinc/73/70/33/384737033.db2.gz KXRBTOQLEMBYIU-RYUDHWBXSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547256 384737958 /nfs/dbraw/zinc/73/79/58/384737958.db2.gz TTZYRYSQRVKGMJ-NEPJUHHUSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548078 384751438 /nfs/dbraw/zinc/75/14/38/384751438.db2.gz USRXDWRQKSGOIO-NNYUYHANSA-N 3 1 211.353 0.701 20 0 BCADMP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647550955 384764113 /nfs/dbraw/zinc/76/41/13/384764113.db2.gz QEGLEJSYJDZSAU-WDEREUQCSA-N 2 1 248.392 0.399 20 0 BCADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[NH2+]C1 ZINC000335057579 384788251 /nfs/dbraw/zinc/78/82/51/384788251.db2.gz ITNHPRIXWLTERH-GHMZBOCLSA-N 2 1 237.347 0.339 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCCn1ccnc1 ZINC000518200694 384790407 /nfs/dbraw/zinc/79/04/07/384790407.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 2 1 240.351 0.175 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314112624 384803395 /nfs/dbraw/zinc/80/33/95/384803395.db2.gz GAWLZNUYTDYHLR-UTUOFQBUSA-N 2 1 229.368 0.375 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314112624 384803403 /nfs/dbraw/zinc/80/34/03/384803403.db2.gz GAWLZNUYTDYHLR-UTUOFQBUSA-N 2 1 229.368 0.375 20 0 BCADMP CC[C@H](C[NH2+][C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040016 384809901 /nfs/dbraw/zinc/80/99/01/384809901.db2.gz XNJFFPVEXGARQC-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000335658175 384812133 /nfs/dbraw/zinc/81/21/33/384812133.db2.gz XJYZVMGMOJYDJV-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1C[NH2+]C1 ZINC000646902663 384814681 /nfs/dbraw/zinc/81/46/81/384814681.db2.gz PVHLFTYEGGQADR-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1C[NH2+]C1 ZINC000646902664 384815066 /nfs/dbraw/zinc/81/50/66/384815066.db2.gz PVHLFTYEGGQADR-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336079420 384877294 /nfs/dbraw/zinc/87/72/94/384877294.db2.gz DQYSRXAIRJNNAM-PHIMTYICSA-N 2 1 220.320 0.678 20 0 BCADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336079420 384877300 /nfs/dbraw/zinc/87/73/00/384877300.db2.gz DQYSRXAIRJNNAM-PHIMTYICSA-N 2 1 220.320 0.678 20 0 BCADMP Cn1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000127298261 384883140 /nfs/dbraw/zinc/88/31/40/384883140.db2.gz CMANKBIIOFAVHV-LBPRGKRZSA-N 2 1 225.336 0.427 20 0 BCADMP COc1nccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000449288950 384883876 /nfs/dbraw/zinc/88/38/76/384883876.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 1 248.330 0.479 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647613733 384955465 /nfs/dbraw/zinc/95/54/65/384955465.db2.gz MYXGEFYTJXEYCL-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1OC ZINC000234855611 384904544 /nfs/dbraw/zinc/90/45/44/384904544.db2.gz SSYPRMDQOYUCMQ-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC([NH3+])CC2)CC[N@H+]1C ZINC000647603385 384921283 /nfs/dbraw/zinc/92/12/83/384921283.db2.gz VXYYYLPWSKWPBK-MWLCHTKSSA-N 2 1 225.336 0.276 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000257362116 384925438 /nfs/dbraw/zinc/92/54/38/384925438.db2.gz AEXFFJPCAWSWDI-ZDCRXTMVSA-N 2 1 223.320 0.077 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH3+] ZINC000647605523 384929433 /nfs/dbraw/zinc/92/94/33/384929433.db2.gz QFPDBBUZXSQXNM-SECBINFHSA-N 2 1 224.308 0.472 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226086314 384930579 /nfs/dbraw/zinc/93/05/79/384930579.db2.gz YRGDUHRTSZKUQO-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(N)=O ZINC000644569335 384967503 /nfs/dbraw/zinc/96/75/03/384967503.db2.gz ITSOUXZNCWAFBA-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH2+]CC2)CC[N@H+]1C ZINC000647615251 384968307 /nfs/dbraw/zinc/96/83/07/384968307.db2.gz YQPAMJCMXRJXOV-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)O)CC1 ZINC000644562765 384969458 /nfs/dbraw/zinc/96/94/58/384969458.db2.gz YMMHWCGAOSPSOK-CYBMUJFWSA-N 2 1 243.395 0.375 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000557481185 384969566 /nfs/dbraw/zinc/96/95/66/384969566.db2.gz HPFNRPDJCAUFLY-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000156915824 385022490 /nfs/dbraw/zinc/02/24/90/385022490.db2.gz VZARLHDVIPQDNU-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000648148569 385001659 /nfs/dbraw/zinc/00/16/59/385001659.db2.gz PNJFAKWKLFDGNI-DDHJBXDOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310353751 385002356 /nfs/dbraw/zinc/00/23/56/385002356.db2.gz QEHAVJJDKOLIPP-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310353751 385002361 /nfs/dbraw/zinc/00/23/61/385002361.db2.gz QEHAVJJDKOLIPP-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310353751 385002365 /nfs/dbraw/zinc/00/23/65/385002365.db2.gz QEHAVJJDKOLIPP-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000518373272 385002923 /nfs/dbraw/zinc/00/29/23/385002923.db2.gz SWJNXMFBZDHGBY-GFCCVEGCSA-N 2 1 248.330 0.293 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129545075 385004554 /nfs/dbraw/zinc/00/45/54/385004554.db2.gz LKBZZMOWLUCHEL-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129545075 385004560 /nfs/dbraw/zinc/00/45/60/385004560.db2.gz LKBZZMOWLUCHEL-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129544680 385005047 /nfs/dbraw/zinc/00/50/47/385005047.db2.gz LKBZZMOWLUCHEL-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129544680 385005058 /nfs/dbraw/zinc/00/50/58/385005058.db2.gz LKBZZMOWLUCHEL-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398689 385007649 /nfs/dbraw/zinc/00/76/49/385007649.db2.gz NXFLQGNHFNVOAH-JQWIXIFHSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398333 385008486 /nfs/dbraw/zinc/00/84/86/385008486.db2.gz NXFLQGNHFNVOAH-CMPLNLGQSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226398805 385008692 /nfs/dbraw/zinc/00/86/92/385008692.db2.gz ZGOLJVGELNXKHG-GWCFXTLKSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@]1(C[NH2+]CC(=O)NCC2CC2)CC[NH2+]C1 ZINC000518376121 385008673 /nfs/dbraw/zinc/00/86/73/385008673.db2.gz ZTADOINIXGCGBJ-LBPRGKRZSA-N 2 1 225.336 0.102 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398091 385009297 /nfs/dbraw/zinc/00/92/97/385009297.db2.gz RGZVHDIDRCORHI-ZYHUDNBSSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226396826 385009484 /nfs/dbraw/zinc/00/94/84/385009484.db2.gz PTMDGJNBUHZJNS-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300876533 385015001 /nfs/dbraw/zinc/01/50/01/385015001.db2.gz NWFKVZRTXYMWLV-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300876533 385015005 /nfs/dbraw/zinc/01/50/05/385015005.db2.gz NWFKVZRTXYMWLV-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@]1(C[NH2+]C2CC[NH+](C)CC2)CCOC1 ZINC000156905997 385020987 /nfs/dbraw/zinc/02/09/87/385020987.db2.gz DAOJXNXLUDDAKA-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226741924 385047733 /nfs/dbraw/zinc/04/77/33/385047733.db2.gz ZQZRPYIDITVDRC-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080993434 385053953 /nfs/dbraw/zinc/05/39/53/385053953.db2.gz XVYGKWCNDGUBLF-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648165749 385066552 /nfs/dbraw/zinc/06/65/52/385066552.db2.gz ARIVOACSUSZOGV-GDNZZTSVSA-N 2 1 237.347 0.004 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOCC[NH3+] ZINC000336671094 385069852 /nfs/dbraw/zinc/06/98/52/385069852.db2.gz NQMRFLUZWDNDNM-LLVKDONJSA-N 3 1 217.357 0.267 20 0 BCADMP CC(C)[C@H]([NH3+])CCN(C)CCOCC[NH3+] ZINC000336671094 385069863 /nfs/dbraw/zinc/06/98/63/385069863.db2.gz NQMRFLUZWDNDNM-LLVKDONJSA-N 2 1 217.357 0.267 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646941367 385071083 /nfs/dbraw/zinc/07/10/83/385071083.db2.gz YMXAJBGGFIXGSS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800932 385076955 /nfs/dbraw/zinc/07/69/55/385076955.db2.gz ACIOGNVRLVMBGF-CIUDSAMLSA-N 2 1 213.325 0.179 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646945891 385080887 /nfs/dbraw/zinc/08/08/87/385080887.db2.gz NJGCCWOZRMJORM-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646945894 385081685 /nfs/dbraw/zinc/08/16/85/385081685.db2.gz NJGCCWOZRMJORM-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931631 385082272 /nfs/dbraw/zinc/08/22/72/385082272.db2.gz JVKNFRXJFDQDJP-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP COC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000128416155 385033041 /nfs/dbraw/zinc/03/30/41/385033041.db2.gz FZBGYEWVINDHSX-GFCCVEGCSA-N 2 1 241.335 0.521 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000128416155 385033049 /nfs/dbraw/zinc/03/30/49/385033049.db2.gz FZBGYEWVINDHSX-GFCCVEGCSA-N 2 1 241.335 0.521 20 0 BCADMP C[N@H+](Cc1cnccn1)CC1CC[NH2+]CC1 ZINC000086703066 385040742 /nfs/dbraw/zinc/04/07/42/385040742.db2.gz NCWZPYYOARHFKZ-UHFFFAOYSA-N 2 1 220.320 0.908 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000530836244 385108731 /nfs/dbraw/zinc/10/87/31/385108731.db2.gz NQQUHRLEZOBILZ-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000530836244 385108737 /nfs/dbraw/zinc/10/87/37/385108737.db2.gz NQQUHRLEZOBILZ-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000530836244 385108740 /nfs/dbraw/zinc/10/87/40/385108740.db2.gz NQQUHRLEZOBILZ-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009790 385133557 /nfs/dbraw/zinc/13/35/57/385133557.db2.gz IYRRTQRTTOUAAZ-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246435 385138797 /nfs/dbraw/zinc/13/87/97/385138797.db2.gz ZYTPYHDDSHWDSH-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)NC)C1 ZINC000559642315 385100764 /nfs/dbraw/zinc/10/07/64/385100764.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)NC)C1 ZINC000559642315 385100767 /nfs/dbraw/zinc/10/07/67/385100767.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000559642315 385100774 /nfs/dbraw/zinc/10/07/74/385100774.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000246545012 385191225 /nfs/dbraw/zinc/19/12/25/385191225.db2.gz SPQPQRHEZKMQRB-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054858 385192281 /nfs/dbraw/zinc/19/22/81/385192281.db2.gz ARCHLUQGBIUAMX-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP Cc1nnsc1C[NH2+]CCc1c[nH+]cn1C ZINC000401654568 385147467 /nfs/dbraw/zinc/14/74/67/385147467.db2.gz SIQKMPDUFFOFPP-UHFFFAOYSA-N 2 1 237.332 0.912 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404901352 385155995 /nfs/dbraw/zinc/15/59/95/385155995.db2.gz QDQQACJODQRRIK-IUCAKERBSA-N 2 1 213.325 0.226 20 0 BCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000336357285 385165144 /nfs/dbraw/zinc/16/51/44/385165144.db2.gz YLNDTNQTATUXGY-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000647034764 385170859 /nfs/dbraw/zinc/17/08/59/385170859.db2.gz XDYJGOLORQPJSJ-AAEUAGOBSA-N 2 1 239.363 0.491 20 0 BCADMP COC1(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319976576 385209527 /nfs/dbraw/zinc/20/95/27/385209527.db2.gz XCIRHJMYHZIVNT-NWDGAFQWSA-N 2 1 242.363 0.994 20 0 BCADMP COC1(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319976576 385209533 /nfs/dbraw/zinc/20/95/33/385209533.db2.gz XCIRHJMYHZIVNT-NWDGAFQWSA-N 2 1 242.363 0.994 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064861 385210663 /nfs/dbraw/zinc/21/06/63/385210663.db2.gz QZMLBHPQQVSGEU-CABZTGNLSA-N 2 1 243.326 0.144 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647064408 385210694 /nfs/dbraw/zinc/21/06/94/385210694.db2.gz PPMLUKUKZOQKGL-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000308849319 385211208 /nfs/dbraw/zinc/21/12/08/385211208.db2.gz QPXYRKNSYMFZMT-SSDOTTSWSA-N 2 1 223.267 0.037 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000252714115 385221648 /nfs/dbraw/zinc/22/16/48/385221648.db2.gz RAIPGGPAACBXRA-VXGBXAGGSA-N 2 1 222.336 0.813 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164669561 385225607 /nfs/dbraw/zinc/22/56/07/385225607.db2.gz OCQANUFYAOFVSQ-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164669561 385225610 /nfs/dbraw/zinc/22/56/10/385225610.db2.gz OCQANUFYAOFVSQ-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124522 385240663 /nfs/dbraw/zinc/24/06/63/385240663.db2.gz SJMYKKQYBBYCML-NNYUYHANSA-N 2 1 237.347 0.276 20 0 BCADMP C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000647090342 385255300 /nfs/dbraw/zinc/25/53/00/385255300.db2.gz XCADHDUNYWWACH-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP Cc1cnn(CC[NH+]2CCC([NH3+])CC2)c1 ZINC000308948410 385310252 /nfs/dbraw/zinc/31/02/52/385310252.db2.gz VURKMHMBBAQCAA-UHFFFAOYSA-N 2 1 208.309 0.615 20 0 BCADMP C[C@@H]([NH3+])CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000178701340 385318952 /nfs/dbraw/zinc/31/89/52/385318952.db2.gz ZYDBAFJKSWKCJZ-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H]([NH3+])CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000178701340 385318960 /nfs/dbraw/zinc/31/89/60/385318960.db2.gz ZYDBAFJKSWKCJZ-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP COCC(C)(C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492519 385298524 /nfs/dbraw/zinc/29/85/24/385298524.db2.gz GWXDGJDBZRZWNH-UHFFFAOYSA-N 2 1 243.395 0.496 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[NH3+])C1 ZINC000164997523 385335216 /nfs/dbraw/zinc/33/52/16/385335216.db2.gz UJFVDJDDAXPZPY-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000309011688 385359554 /nfs/dbraw/zinc/35/95/54/385359554.db2.gz SAEWCUNGVXUYQG-NEPJUHHUSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000309011688 385359556 /nfs/dbraw/zinc/35/95/56/385359556.db2.gz SAEWCUNGVXUYQG-NEPJUHHUSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000309011688 385359560 /nfs/dbraw/zinc/35/95/60/385359560.db2.gz SAEWCUNGVXUYQG-NEPJUHHUSA-N 2 1 213.369 0.866 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309049627 385384237 /nfs/dbraw/zinc/38/42/37/385384237.db2.gz QDGRGRPAUWHTBH-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309049627 385384239 /nfs/dbraw/zinc/38/42/39/385384239.db2.gz QDGRGRPAUWHTBH-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCC1 ZINC000309162410 385442869 /nfs/dbraw/zinc/44/28/69/385442869.db2.gz ZOOGRNHAXVAKBR-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000405260783 385431080 /nfs/dbraw/zinc/43/10/80/385431080.db2.gz OOQPUMPWTQQHII-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000405260778 385431200 /nfs/dbraw/zinc/43/12/00/385431200.db2.gz OOQPUMPWTQQHII-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NC1CC1 ZINC000405263700 385431218 /nfs/dbraw/zinc/43/12/18/385431218.db2.gz QDTDOYSDTUHCNU-FXBDTBDDSA-N 2 1 225.336 0.369 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257698330 385488072 /nfs/dbraw/zinc/48/80/72/385488072.db2.gz NNJYCXGRGOTARH-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000335919018 385477801 /nfs/dbraw/zinc/47/78/01/385477801.db2.gz ZOPORTOVUKLQIX-ZDUSSCGKSA-N 2 1 234.347 0.877 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599226 385478608 /nfs/dbraw/zinc/47/86/08/385478608.db2.gz KRRHFKJQYFCHDR-AAEUAGOBSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cncn1 ZINC000309210014 385480022 /nfs/dbraw/zinc/48/00/22/385480022.db2.gz NQDJZCGKVCEOMT-WDEREUQCSA-N 2 1 223.324 0.208 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000257668305 385485162 /nfs/dbraw/zinc/48/51/62/385485162.db2.gz FTMKEICLDQMQDY-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000257656431 385486257 /nfs/dbraw/zinc/48/62/57/385486257.db2.gz CKKANVLPXNFTAC-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000257708813 385490619 /nfs/dbraw/zinc/49/06/19/385490619.db2.gz QFIMTYAEKMKSFF-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP Cn1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000257745301 385496928 /nfs/dbraw/zinc/49/69/28/385496928.db2.gz TVGXXDJUUQXCKU-AWEZNQCLSA-N 2 1 248.374 0.505 20 0 BCADMP C[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000309243165 385498885 /nfs/dbraw/zinc/49/88/85/385498885.db2.gz YQHVNWLVKUBOMZ-UHFFFAOYSA-N 2 1 212.337 0.975 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC1OCCO1 ZINC000180214740 385514359 /nfs/dbraw/zinc/51/43/59/385514359.db2.gz ADUGLILRZUAXJF-UHFFFAOYSA-N 2 1 225.292 0.578 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000257708761 385490083 /nfs/dbraw/zinc/49/00/83/385490083.db2.gz QCQLKXRBGPWSME-VHSXEESVSA-N 2 1 213.325 0.039 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000364863534 385533201 /nfs/dbraw/zinc/53/32/01/385533201.db2.gz SFNJWYWCQKZCCY-GFCCVEGCSA-N 2 1 237.351 0.694 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000364863534 385533203 /nfs/dbraw/zinc/53/32/03/385533203.db2.gz SFNJWYWCQKZCCY-GFCCVEGCSA-N 2 1 237.351 0.694 20 0 BCADMP Cc1noc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000082475044 385551565 /nfs/dbraw/zinc/55/15/65/385551565.db2.gz KKQIBSRQOMZMHY-MRVPVSSYSA-N 2 1 224.308 0.937 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309381428 385558814 /nfs/dbraw/zinc/55/88/14/385558814.db2.gz RODXZURHJPLDEI-HBNTYKKESA-N 2 1 226.320 0.609 20 0 BCADMP CC[N@@H+](CCOC)C[C@@H](O)CN(C)C1CC1 ZINC000309394398 385561513 /nfs/dbraw/zinc/56/15/13/385561513.db2.gz IDZCNCLBWATUMI-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054076741 385594650 /nfs/dbraw/zinc/59/46/50/385594650.db2.gz XACGCHKTCMXVMR-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309447301 385586946 /nfs/dbraw/zinc/58/69/46/385586946.db2.gz LRKFNSVDEWDSPL-LBPRGKRZSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309447301 385586948 /nfs/dbraw/zinc/58/69/48/385586948.db2.gz LRKFNSVDEWDSPL-LBPRGKRZSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309447301 385586949 /nfs/dbraw/zinc/58/69/49/385586949.db2.gz LRKFNSVDEWDSPL-LBPRGKRZSA-N 2 1 211.353 0.657 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354020029 385587432 /nfs/dbraw/zinc/58/74/32/385587432.db2.gz NCSNYULGZPYILO-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000309456220 385588841 /nfs/dbraw/zinc/58/88/41/385588841.db2.gz MMWMNXXMGHGQNQ-NWDGAFQWSA-N 2 1 228.336 0.068 20 0 BCADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000309456220 385588844 /nfs/dbraw/zinc/58/88/44/385588844.db2.gz MMWMNXXMGHGQNQ-NWDGAFQWSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000336649279 385591307 /nfs/dbraw/zinc/59/13/07/385591307.db2.gz GVBPWFTWZZYKEI-MRVPVSSYSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000082651674 385627163 /nfs/dbraw/zinc/62/71/63/385627163.db2.gz XRGJNIPRTRWWDF-RYUDHWBXSA-N 2 1 222.336 0.942 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1CC1)C1CC1 ZINC000336681079 385632551 /nfs/dbraw/zinc/63/25/51/385632551.db2.gz IZNIIRQTDZRDCB-GFCCVEGCSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)CC1CC1)C1CC1 ZINC000336681079 385632557 /nfs/dbraw/zinc/63/25/57/385632557.db2.gz IZNIIRQTDZRDCB-GFCCVEGCSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000336681079 385632561 /nfs/dbraw/zinc/63/25/61/385632561.db2.gz IZNIIRQTDZRDCB-GFCCVEGCSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000336681079 385632565 /nfs/dbraw/zinc/63/25/65/385632565.db2.gz IZNIIRQTDZRDCB-GFCCVEGCSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C)C[C@](C)(O)CNc1[nH+]cnc2[nH]ccc21 ZINC000269914832 385647834 /nfs/dbraw/zinc/64/78/34/385647834.db2.gz WSGWFQGXTQMIMD-GFCCVEGCSA-N 2 1 249.318 0.682 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414851783 385665709 /nfs/dbraw/zinc/66/57/09/385665709.db2.gz PQVPHMXUQRAQMT-TUAOUCFPSA-N 3 1 213.369 0.962 20 0 BCADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000336734577 385663214 /nfs/dbraw/zinc/66/32/14/385663214.db2.gz NIWLNNBLPKQHLY-NEPJUHHUSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000336734577 385663219 /nfs/dbraw/zinc/66/32/19/385663219.db2.gz NIWLNNBLPKQHLY-NEPJUHHUSA-N 2 1 212.337 0.831 20 0 BCADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221702131 385687798 /nfs/dbraw/zinc/68/77/98/385687798.db2.gz PYCISRSOMRCECU-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP Cc1nc(N)nc(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000310958581 385704847 /nfs/dbraw/zinc/70/48/47/385704847.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 2 1 248.334 0.294 20 0 BCADMP CCCCOCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336653739 385712810 /nfs/dbraw/zinc/71/28/10/385712810.db2.gz MAYBUSZDTJKVEP-JTQLQIEISA-N 2 1 204.314 0.055 20 0 BCADMP CCCCOCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336653739 385712815 /nfs/dbraw/zinc/71/28/15/385712815.db2.gz MAYBUSZDTJKVEP-JTQLQIEISA-N 2 1 204.314 0.055 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648348 385731122 /nfs/dbraw/zinc/73/11/22/385731122.db2.gz NFJTWCYJOQVWQP-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C)[C@@H](C)C1 ZINC000414859812 385738952 /nfs/dbraw/zinc/73/89/52/385738952.db2.gz NXGOWGFHKOAHSV-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C)[C@@H](C)C1 ZINC000414859812 385738954 /nfs/dbraw/zinc/73/89/54/385738954.db2.gz NXGOWGFHKOAHSV-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C)[C@@H](C)C1 ZINC000414859812 385738957 /nfs/dbraw/zinc/73/89/57/385738957.db2.gz NXGOWGFHKOAHSV-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336703443 385776227 /nfs/dbraw/zinc/77/62/27/385776227.db2.gz KOKBWZQZVNYIMO-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336703443 385776231 /nfs/dbraw/zinc/77/62/31/385776231.db2.gz KOKBWZQZVNYIMO-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336703443 385776232 /nfs/dbraw/zinc/77/62/32/385776232.db2.gz KOKBWZQZVNYIMO-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590022 385720892 /nfs/dbraw/zinc/72/08/92/385720892.db2.gz UNLDDVXFPZMMPI-GXSJLCMTSA-N 2 1 241.360 0.860 20 0 BCADMP CCN(C)C(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186816575 385800393 /nfs/dbraw/zinc/80/03/93/385800393.db2.gz VXEYXWIYISVSLK-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414947728 385804607 /nfs/dbraw/zinc/80/46/07/385804607.db2.gz VWUWTUUPNIXTJG-NEPJUHHUSA-N 2 1 230.352 0.770 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414947732 385805702 /nfs/dbraw/zinc/80/57/02/385805702.db2.gz VWUWTUUPNIXTJG-RYUDHWBXSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845303 385885922 /nfs/dbraw/zinc/88/59/22/385885922.db2.gz USNMXVBPQDOXNY-DGCLKSJQSA-N 2 1 249.358 0.945 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647844386 385894858 /nfs/dbraw/zinc/89/48/58/385894858.db2.gz RNPDGQFOAFKAJN-ZYHUDNBSSA-N 2 1 235.331 0.554 20 0 BCADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849526 385901160 /nfs/dbraw/zinc/90/11/60/385901160.db2.gz WXNDEZGGXKYFRA-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849526 385901163 /nfs/dbraw/zinc/90/11/63/385901163.db2.gz WXNDEZGGXKYFRA-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP Cn1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1=O ZINC000647857548 385906426 /nfs/dbraw/zinc/90/64/26/385906426.db2.gz DCYOMUFJGIDEHM-UHFFFAOYSA-N 2 1 237.347 0.802 20 0 BCADMP C[N@H+](CCC(N)=O)CC[C@@H]1CCCC[NH+]1C ZINC000353208840 385908730 /nfs/dbraw/zinc/90/87/30/385908730.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353208840 385908736 /nfs/dbraw/zinc/90/87/36/385908736.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353208840 385908740 /nfs/dbraw/zinc/90/87/40/385908740.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830610 385872278 /nfs/dbraw/zinc/87/22/78/385872278.db2.gz WELKWSHLKWBMGP-RWMBFGLXSA-N 2 1 239.363 0.130 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000647827163 385874496 /nfs/dbraw/zinc/87/44/96/385874496.db2.gz NAAKKIVAWXAJTH-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP COCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835893 385880323 /nfs/dbraw/zinc/88/03/23/385880323.db2.gz UDAFUAYPVDQBMF-UHFFFAOYSA-N 2 1 243.395 0.640 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417450342 385975769 /nfs/dbraw/zinc/97/57/69/385975769.db2.gz ZYNWIVABNMZGEH-MNOVXSKESA-N 2 1 244.383 0.611 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221300062 385988466 /nfs/dbraw/zinc/98/84/66/385988466.db2.gz UFJRPTZJWCJOQR-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221300062 385988472 /nfs/dbraw/zinc/98/84/72/385988472.db2.gz UFJRPTZJWCJOQR-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251145393 385935104 /nfs/dbraw/zinc/93/51/04/385935104.db2.gz XDFLYTPRJATLSD-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H](CO)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)CO ZINC000342087821 385936922 /nfs/dbraw/zinc/93/69/22/385936922.db2.gz RGCLWSRWKRKAIN-GKKDLHFNSA-N 2 1 230.352 0.168 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000521437838 385942993 /nfs/dbraw/zinc/94/29/93/385942993.db2.gz FYCJMOKDDYNESW-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP CN1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924316 385949647 /nfs/dbraw/zinc/94/96/47/385949647.db2.gz XRIOYOQVHQMJEQ-SECBINFHSA-N 2 1 211.309 0.030 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417446804 385958638 /nfs/dbraw/zinc/95/86/38/385958638.db2.gz NHGKKHYJNZEVGU-WDEREUQCSA-N 2 1 244.383 0.705 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000338361070 385971618 /nfs/dbraw/zinc/97/16/18/385971618.db2.gz LNZUNADECHUEJH-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000338348181 385973074 /nfs/dbraw/zinc/97/30/74/385973074.db2.gz MQCRIFCTISYYAC-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417449377 385973807 /nfs/dbraw/zinc/97/38/07/385973807.db2.gz XTLQNPATOMPZLK-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417450341 385974405 /nfs/dbraw/zinc/97/44/05/385974405.db2.gz ZYNWIVABNMZGEH-GHMZBOCLSA-N 2 1 244.383 0.611 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C[C@H]1C ZINC000414113836 386009471 /nfs/dbraw/zinc/00/94/71/386009471.db2.gz LABFYJXBMJPRBN-RHYQMDGZSA-N 2 1 214.353 0.933 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000417463785 386019373 /nfs/dbraw/zinc/01/93/73/386019373.db2.gz PMGBGQMJXHLSSG-LLVKDONJSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977922 386037403 /nfs/dbraw/zinc/03/74/03/386037403.db2.gz QZZOXOKTGLTXQU-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414979697 386046516 /nfs/dbraw/zinc/04/65/16/386046516.db2.gz OHWVBWWENAEDRT-JTQLQIEISA-N 2 1 233.319 0.795 20 0 BCADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000414986153 386102035 /nfs/dbraw/zinc/10/20/35/386102035.db2.gz XKIFUOHTARGOKV-GFCCVEGCSA-N 2 1 235.331 0.873 20 0 BCADMP CN(C)c1nc(N2CC[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000338689598 386103164 /nfs/dbraw/zinc/10/31/64/386103164.db2.gz PDEOOENWOISNQV-LLVKDONJSA-N 2 1 249.362 0.931 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)CCc1cnc[nH]1 ZINC000287251892 386106637 /nfs/dbraw/zinc/10/66/37/386106637.db2.gz QYEPZYQKFHUVID-VIFPVBQESA-N 2 1 224.308 0.409 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133683 386109959 /nfs/dbraw/zinc/10/99/59/386109959.db2.gz KRKLMZNOTKSVBV-GFCCVEGCSA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000054133502 386110515 /nfs/dbraw/zinc/11/05/15/386110515.db2.gz XZZNENGXDKXBNS-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000054133441 386111490 /nfs/dbraw/zinc/11/14/90/386111490.db2.gz KTFNDUQKMNAZQV-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000525804007 386114063 /nfs/dbraw/zinc/11/40/63/386114063.db2.gz FJZVFBNTKQUUOJ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000525804009 386115030 /nfs/dbraw/zinc/11/50/30/386115030.db2.gz FJZVFBNTKQUUOJ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000525804008 386115591 /nfs/dbraw/zinc/11/55/91/386115591.db2.gz FJZVFBNTKQUUOJ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP c1ncc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839228 386119754 /nfs/dbraw/zinc/11/97/54/386119754.db2.gz FSEUEYBSKNLKPU-OLZOCXBDSA-N 2 1 248.330 0.429 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414651698 386073677 /nfs/dbraw/zinc/07/36/77/386073677.db2.gz FWGVDFJMGSWUFY-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H](CN2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414651698 386073684 /nfs/dbraw/zinc/07/36/84/386073684.db2.gz FWGVDFJMGSWUFY-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CCO)COC)[C@@H](C)C1 ZINC000345239847 386074969 /nfs/dbraw/zinc/07/49/69/386074969.db2.gz IMPGKHGOHPWNSX-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@H]2C)CC[NH2+]1 ZINC000414652795 386075102 /nfs/dbraw/zinc/07/51/02/386075102.db2.gz HJNXDOKASDHYMI-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000414652795 386075110 /nfs/dbraw/zinc/07/51/10/386075110.db2.gz HJNXDOKASDHYMI-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000414887614 386091173 /nfs/dbraw/zinc/09/11/73/386091173.db2.gz QSFBLTPZUJRKRE-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP CC[N@H+](CCO)CCNCc1c(C)n[nH]c1C ZINC000274377775 386095928 /nfs/dbraw/zinc/09/59/28/386095928.db2.gz IDJVUGWCRYRNKK-UHFFFAOYSA-N 2 1 240.351 0.430 20 0 BCADMP CC[N@@H+](CCO)CCNCc1c(C)n[nH]c1C ZINC000274377775 386095932 /nfs/dbraw/zinc/09/59/32/386095932.db2.gz IDJVUGWCRYRNKK-UHFFFAOYSA-N 2 1 240.351 0.430 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674210 386147365 /nfs/dbraw/zinc/14/73/65/386147365.db2.gz DHYQIGNQUGHCKR-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676147 386150065 /nfs/dbraw/zinc/15/00/65/386150065.db2.gz UUTFSVVLAXZXLZ-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000334476057 386154059 /nfs/dbraw/zinc/15/40/59/386154059.db2.gz OLNYYAOQUAVMJR-JQWIXIFHSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334476057 386154064 /nfs/dbraw/zinc/15/40/64/386154064.db2.gz OLNYYAOQUAVMJR-JQWIXIFHSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334476057 386154072 /nfs/dbraw/zinc/15/40/72/386154072.db2.gz OLNYYAOQUAVMJR-JQWIXIFHSA-N 2 1 237.347 0.434 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCC[NH2+]C)C1CC1 ZINC000417489972 386155553 /nfs/dbraw/zinc/15/55/53/386155553.db2.gz RAFVWJDRTMCUEX-UHFFFAOYSA-N 2 1 242.367 0.379 20 0 BCADMP C[C@@]1(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000414993213 386166386 /nfs/dbraw/zinc/16/63/86/386166386.db2.gz CGJQVYHPTYOMMR-WDEREUQCSA-N 3 1 247.333 0.820 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346229976 386176084 /nfs/dbraw/zinc/17/60/84/386176084.db2.gz SUGRZBMCZUUYGI-SDDRHHMPSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000310379979 386180878 /nfs/dbraw/zinc/18/08/78/386180878.db2.gz BFCPWOVRGNCWOM-NWDGAFQWSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000310379979 386180881 /nfs/dbraw/zinc/18/08/81/386180881.db2.gz BFCPWOVRGNCWOM-NWDGAFQWSA-N 2 1 241.379 0.973 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC000338764511 386133089 /nfs/dbraw/zinc/13/30/89/386133089.db2.gz AVQIXNUNYCPYKS-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000338764511 386133094 /nfs/dbraw/zinc/13/30/94/386133094.db2.gz AVQIXNUNYCPYKS-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC000338764511 386133096 /nfs/dbraw/zinc/13/30/96/386133096.db2.gz AVQIXNUNYCPYKS-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000414669915 386134837 /nfs/dbraw/zinc/13/48/37/386134837.db2.gz CFAMYIMCZJVKNB-UTUOFQBUSA-N 2 1 241.379 0.946 20 0 BCADMP C[C@@H](C(=O)NC1CC1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365520815 386142079 /nfs/dbraw/zinc/14/20/79/386142079.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 1 237.347 0.147 20 0 BCADMP COC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414671620 386142409 /nfs/dbraw/zinc/14/24/09/386142409.db2.gz GOCQVEQURMVVGF-ZJUUUORDSA-N 2 1 214.309 0.479 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698900 386202098 /nfs/dbraw/zinc/20/20/98/386202098.db2.gz IKRLFIWETGZQSQ-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](CCC[NH3+])C1 ZINC000414702259 386207834 /nfs/dbraw/zinc/20/78/34/386207834.db2.gz IENWKAHBWMABHS-SNVBAGLBSA-N 2 1 200.282 0.220 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414700659 386208356 /nfs/dbraw/zinc/20/83/56/386208356.db2.gz ZQAYSWPENXAVQV-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCCC1 ZINC000131540020 386209358 /nfs/dbraw/zinc/20/93/58/386209358.db2.gz HBGKGIGWKWKCTE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCCCC1 ZINC000131540020 386209363 /nfs/dbraw/zinc/20/93/63/386209363.db2.gz HBGKGIGWKWKCTE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702531 386210954 /nfs/dbraw/zinc/21/09/54/386210954.db2.gz HWOIFBPMCMMHRT-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC000343190004 386214633 /nfs/dbraw/zinc/21/46/33/386214633.db2.gz CNADQMDAAXYYPS-JTQLQIEISA-N 2 1 248.334 0.746 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131696613 386215161 /nfs/dbraw/zinc/21/51/61/386215161.db2.gz AMEHLEPIADMURA-VWYCJHECSA-N 2 1 241.379 0.959 20 0 BCADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647881521 386216103 /nfs/dbraw/zinc/21/61/03/386216103.db2.gz BIQOPQHODQSWCJ-QWHCGFSZSA-N 2 1 239.363 0.444 20 0 BCADMP CNC(=O)CCC[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712973 386230418 /nfs/dbraw/zinc/23/04/18/386230418.db2.gz VBDLAOYUVYQIPN-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712973 386230422 /nfs/dbraw/zinc/23/04/22/386230422.db2.gz VBDLAOYUVYQIPN-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP [NH3+]CCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000414715079 386235831 /nfs/dbraw/zinc/23/58/31/386235831.db2.gz XDTSYYKHXNSLQB-ZDUSSCGKSA-N 2 1 247.342 0.898 20 0 BCADMP [NH3+]CCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000414715079 386235837 /nfs/dbraw/zinc/23/58/37/386235837.db2.gz XDTSYYKHXNSLQB-ZDUSSCGKSA-N 2 1 247.342 0.898 20 0 BCADMP O=C(CN1CCC(n2ccnc2)CC1)N1CCC1 ZINC000264639735 386256445 /nfs/dbraw/zinc/25/64/45/386256445.db2.gz UQIMMMLNZHRFKY-UHFFFAOYSA-N 2 1 248.330 0.752 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)CCOCC(F)(F)F ZINC000414694180 386192178 /nfs/dbraw/zinc/19/21/78/386192178.db2.gz MQPNEGNDKVQQAF-UHFFFAOYSA-N 2 1 244.257 0.208 20 0 BCADMP CC[C@@H](C(=O)NCc1cnc[nH]1)[NH+](C)C ZINC000338964884 386192604 /nfs/dbraw/zinc/19/26/04/386192604.db2.gz DHYHELBXDCCQFJ-VIFPVBQESA-N 2 1 210.281 0.366 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695886 386195316 /nfs/dbraw/zinc/19/53/16/386195316.db2.gz AAWLUDCHGWVTPG-NEPJUHHUSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695886 386195319 /nfs/dbraw/zinc/19/53/19/386195319.db2.gz AAWLUDCHGWVTPG-NEPJUHHUSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CO)C1 ZINC000414696734 386197126 /nfs/dbraw/zinc/19/71/26/386197126.db2.gz QFJXZLQQGGPFJG-GHMZBOCLSA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CO)C1 ZINC000414696734 386197133 /nfs/dbraw/zinc/19/71/33/386197133.db2.gz QFJXZLQQGGPFJG-GHMZBOCLSA-N 2 1 200.326 0.674 20 0 BCADMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC[NH3+] ZINC000414737240 386307642 /nfs/dbraw/zinc/30/76/42/386307642.db2.gz AHSBAZZEPULCAB-VWYCJHECSA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC[NH3+] ZINC000414737240 386307645 /nfs/dbraw/zinc/30/76/45/386307645.db2.gz AHSBAZZEPULCAB-VWYCJHECSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CO ZINC000414738383 386316771 /nfs/dbraw/zinc/31/67/71/386316771.db2.gz JFOMKQQEJRTHJR-LPWJVIDDSA-N 2 1 226.364 0.935 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC[NH3+])C(C)C ZINC000236857404 386317858 /nfs/dbraw/zinc/31/78/58/386317858.db2.gz VFUZUYMTMOEKQO-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP CC[N@@H+](CCNC(=O)c1cnc(C)[nH]1)C1CC1 ZINC000264841755 386275442 /nfs/dbraw/zinc/27/54/42/386275442.db2.gz LCKPTARTDWZSTE-UHFFFAOYSA-N 2 1 236.319 0.932 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[N@H+]1C ZINC000133150210 386279125 /nfs/dbraw/zinc/27/91/25/386279125.db2.gz KYPUKFULLNOADH-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000336682191 386341697 /nfs/dbraw/zinc/34/16/97/386341697.db2.gz CZFGOAQJSAVZLC-CYBMUJFWSA-N 2 1 241.379 0.202 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000336682191 386341702 /nfs/dbraw/zinc/34/17/02/386341702.db2.gz CZFGOAQJSAVZLC-CYBMUJFWSA-N 2 1 241.379 0.202 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417547561 386347672 /nfs/dbraw/zinc/34/76/72/386347672.db2.gz HAXAFPLWDQPYNZ-ZJUUUORDSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417547559 386347925 /nfs/dbraw/zinc/34/79/25/386347925.db2.gz HAXAFPLWDQPYNZ-UWVGGRQHSA-N 2 1 242.367 0.458 20 0 BCADMP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCC[NH3+] ZINC000414753118 386386629 /nfs/dbraw/zinc/38/66/29/386386629.db2.gz DBBBLSDAXVYNRH-MNOVXSKESA-N 2 1 244.335 0.378 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000336732009 386356254 /nfs/dbraw/zinc/35/62/54/386356254.db2.gz ZBPFADARIPVKAF-SECBINFHSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H](CNC(=O)NCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000417553480 386358249 /nfs/dbraw/zinc/35/82/49/386358249.db2.gz UHDJQRRPUZWOGO-VIFPVBQESA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C(=O)[C@H]2C)CC[NH2+]1 ZINC000414748056 386360326 /nfs/dbraw/zinc/36/03/26/386360326.db2.gz VWANEBGIJONVFE-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000417554556 386362586 /nfs/dbraw/zinc/36/25/86/386362586.db2.gz WITVKXQTRBXAGT-KXUCPTDWSA-N 2 1 242.367 0.504 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCC[NH3+])C1 ZINC000414749858 386369026 /nfs/dbraw/zinc/36/90/26/386369026.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 2 1 225.380 0.999 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000112925365 386370183 /nfs/dbraw/zinc/37/01/83/386370183.db2.gz VOEHFWILCMKJIK-UHFFFAOYSA-N 2 1 215.341 0.395 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC000112926163 386370481 /nfs/dbraw/zinc/37/04/81/386370481.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000112926163 386370484 /nfs/dbraw/zinc/37/04/84/386370484.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000112926163 386370489 /nfs/dbraw/zinc/37/04/89/386370489.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000336774460 386374885 /nfs/dbraw/zinc/37/48/85/386374885.db2.gz ZVINYSRPTNRUGH-NSHDSACASA-N 2 1 212.337 0.689 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH3+])C1 ZINC000417550775 386376053 /nfs/dbraw/zinc/37/60/53/386376053.db2.gz MFEOEIRUWFYDEQ-LLVKDONJSA-N 2 1 242.367 0.365 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000417550776 386376682 /nfs/dbraw/zinc/37/66/82/386376682.db2.gz MFEOEIRUWFYDEQ-NSHDSACASA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417556168 386379571 /nfs/dbraw/zinc/37/95/71/386379571.db2.gz ZXYODESCDDWLOO-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP CO[C@H]1C[NH+](CCn2cc[nH+]c2C)C[C@@H]1OC ZINC000336697436 386382615 /nfs/dbraw/zinc/38/26/15/386382615.db2.gz SSIYAQIBBUSWQJ-RYUDHWBXSA-N 2 1 239.319 0.537 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000236908046 386326386 /nfs/dbraw/zinc/32/63/86/386326386.db2.gz HOGDPGBWRQLNOK-ONGXEEELSA-N 2 1 238.335 0.681 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000226396709 386386044 /nfs/dbraw/zinc/38/60/44/386386044.db2.gz OASMTCGHOTUGGY-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000647989046 386332849 /nfs/dbraw/zinc/33/28/49/386332849.db2.gz BOLBIWGLRPDUGO-GRYCIOLGSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000647989048 386334190 /nfs/dbraw/zinc/33/41/90/386334190.db2.gz BOLBIWGLRPDUGO-UTUOFQBUSA-N 2 1 211.353 0.620 20 0 BCADMP C[N@@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CCCC1 ZINC000399199026 386446087 /nfs/dbraw/zinc/44/60/87/386446087.db2.gz BSGNBHIYJNIKCF-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992610 386447382 /nfs/dbraw/zinc/44/73/82/386447382.db2.gz RIZUEMNSFVPHKA-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992610 386447389 /nfs/dbraw/zinc/44/73/89/386447389.db2.gz RIZUEMNSFVPHKA-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@H](CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336732724 386404940 /nfs/dbraw/zinc/40/49/40/386404940.db2.gz GBADISIQFBZEGS-VIFPVBQESA-N 2 1 243.376 0.923 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579840 386409011 /nfs/dbraw/zinc/40/90/11/386409011.db2.gz BTQAFHVGHDEBRG-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759396 386409990 /nfs/dbraw/zinc/40/99/90/386409990.db2.gz OERQXWCSONKEJI-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414758724 386413641 /nfs/dbraw/zinc/41/36/41/386413641.db2.gz VNMAUARUKOCPPY-YPMHNXCESA-N 2 1 241.379 0.818 20 0 BCADMP C[N@@H+](CCO)C1CC[NH+](C2CCOCC2)CC1 ZINC000336707707 386413981 /nfs/dbraw/zinc/41/39/81/386413981.db2.gz HLAKUPCZMCBMJW-UHFFFAOYSA-N 2 1 242.363 0.554 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414758723 386414562 /nfs/dbraw/zinc/41/45/62/386414562.db2.gz VNMAUARUKOCPPY-WCQYABFASA-N 2 1 241.379 0.818 20 0 BCADMP CCOCC[N@H+]1CCN(C[C@@H](C)[NH3+])C[C@@H]1CC ZINC000442664855 386416992 /nfs/dbraw/zinc/41/69/92/386416992.db2.gz XMSGEIHRKMWOCC-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP C[C@@H]([NH3+])CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000442665604 386417101 /nfs/dbraw/zinc/41/71/01/386417101.db2.gz NEPYRVYGHWWYAT-VXGBXAGGSA-N 2 1 241.379 0.519 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761584 386421310 /nfs/dbraw/zinc/42/13/10/386421310.db2.gz JNRLDTYUOGSXOG-GRYCIOLGSA-N 2 1 230.327 0.781 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000336709849 386421796 /nfs/dbraw/zinc/42/17/96/386421796.db2.gz QCJXTTBRHCRRNW-ZDUSSCGKSA-N 2 1 236.363 0.846 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761505 386422498 /nfs/dbraw/zinc/42/24/98/386422498.db2.gz UABRMEYMDMUEAR-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763434 386426905 /nfs/dbraw/zinc/42/69/05/386426905.db2.gz CMNVPBWNGDWVNS-AAVRWANBSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763434 386426908 /nfs/dbraw/zinc/42/69/08/386426908.db2.gz CMNVPBWNGDWVNS-AAVRWANBSA-N 2 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763437 386426923 /nfs/dbraw/zinc/42/69/23/386426923.db2.gz CMNVPBWNGDWVNS-MQYQWHSLSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763437 386426928 /nfs/dbraw/zinc/42/69/28/386426928.db2.gz CMNVPBWNGDWVNS-MQYQWHSLSA-N 2 1 237.391 0.916 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339426410 386427707 /nfs/dbraw/zinc/42/77/07/386427707.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426410 386427713 /nfs/dbraw/zinc/42/77/13/386427713.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426410 386427719 /nfs/dbraw/zinc/42/77/19/386427719.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763442 386428285 /nfs/dbraw/zinc/42/82/85/386428285.db2.gz CMNVPBWNGDWVNS-YIYPIFLZSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763442 386428288 /nfs/dbraw/zinc/42/82/88/386428288.db2.gz CMNVPBWNGDWVNS-YIYPIFLZSA-N 2 1 237.391 0.916 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417621314 386467232 /nfs/dbraw/zinc/46/72/32/386467232.db2.gz FHFOJWYMIQXCJM-LLVKDONJSA-N 2 1 242.367 0.363 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417287953 386475817 /nfs/dbraw/zinc/47/58/17/386475817.db2.gz PYSDBVJMUHMESN-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP C[N@@H+](CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417633957 386479536 /nfs/dbraw/zinc/47/95/36/386479536.db2.gz YMDDSSRLGRYTFN-UHFFFAOYSA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@H]1C[N@@H+](CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934789 386480561 /nfs/dbraw/zinc/48/05/61/386480561.db2.gz QGNFYFJERRLDCQ-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCN1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1=O ZINC000391604175 386482345 /nfs/dbraw/zinc/48/23/45/386482345.db2.gz KXGOBJGXLYXHTR-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCOC2)CC1(C)C ZINC000441375547 386487816 /nfs/dbraw/zinc/48/78/16/386487816.db2.gz BPSFTQDSEXTHFL-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335435882 386495335 /nfs/dbraw/zinc/49/53/35/386495335.db2.gz KMGCPBLQYBCKJE-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335435883 386495384 /nfs/dbraw/zinc/49/53/84/386495384.db2.gz KMGCPBLQYBCKJE-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]([NH2+]CCSCCCO)[C@@H]1CCC[NH2+]1 ZINC000400427595 386495394 /nfs/dbraw/zinc/49/53/94/386495394.db2.gz ZLVBYHPYPZQQQU-MNOVXSKESA-N 2 1 232.393 0.832 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415049145 386505535 /nfs/dbraw/zinc/50/55/35/386505535.db2.gz APZXROIHRNQVDO-LBELIVKGSA-N 2 1 223.364 0.524 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044303 386530134 /nfs/dbraw/zinc/53/01/34/386530134.db2.gz BQDDCNFQNPWJDF-PWSUYJOCSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCSCC[N@@H+]1CCOC[C@@H]1C ZINC000519640009 386514243 /nfs/dbraw/zinc/51/42/43/386514243.db2.gz GJQRWSWVWOKDPF-JTQLQIEISA-N 2 1 218.366 0.660 20 0 BCADMP C[NH2+]CCSCC[N@H+]1CCOC[C@@H]1C ZINC000519640009 386514247 /nfs/dbraw/zinc/51/42/47/386514247.db2.gz GJQRWSWVWOKDPF-JTQLQIEISA-N 2 1 218.366 0.660 20 0 BCADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n[nH]1 ZINC000335448083 386516672 /nfs/dbraw/zinc/51/66/72/386516672.db2.gz MARSSAKOFBJSGE-PHIMTYICSA-N 2 1 220.320 0.841 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518006 /nfs/dbraw/zinc/51/80/06/386518006.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518009 /nfs/dbraw/zinc/51/80/09/386518009.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 2 1 208.309 0.887 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449148 386518188 /nfs/dbraw/zinc/51/81/88/386518188.db2.gz WCVNRUGOXJKJSM-GHMZBOCLSA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449148 386518190 /nfs/dbraw/zinc/51/81/90/386518190.db2.gz WCVNRUGOXJKJSM-GHMZBOCLSA-N 3 1 209.337 0.267 20 0 BCADMP COC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415043427 386530220 /nfs/dbraw/zinc/53/02/20/386530220.db2.gz UKLXLYMUKSPXGA-ITGUQSILSA-N 2 1 246.310 0.781 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000417620076 386457214 /nfs/dbraw/zinc/45/72/14/386457214.db2.gz CKUVEZSPFKXUPI-NSHDSACASA-N 2 1 240.351 0.117 20 0 BCADMP C[N@@H+](CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000059931339 386462153 /nfs/dbraw/zinc/46/21/53/386462153.db2.gz HOPPJLLZWYAKBV-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417625042 386463154 /nfs/dbraw/zinc/46/31/54/386463154.db2.gz LKSZYUCVSDKPSQ-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417625828 386463185 /nfs/dbraw/zinc/46/31/85/386463185.db2.gz MZCADUYFAWKPLH-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978234 386576663 /nfs/dbraw/zinc/57/66/63/386576663.db2.gz OUOJOJLATIXLEK-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418733 386587115 /nfs/dbraw/zinc/58/71/15/386587115.db2.gz SXFJPEHXIUBHDT-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@@H](N)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414801455 386587261 /nfs/dbraw/zinc/58/72/61/386587261.db2.gz UDIWYMBQIPHROX-WOPDTQHZSA-N 2 1 213.369 0.947 20 0 BCADMP c1cc2c(c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c1)NCC2 ZINC000415045666 386531198 /nfs/dbraw/zinc/53/11/98/386531198.db2.gz WMVABVHGIUAYED-IMRBUKKESA-N 2 1 229.327 0.962 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417675230 386532434 /nfs/dbraw/zinc/53/24/34/386532434.db2.gz BRROMWVYZFSHLM-JTQLQIEISA-N 2 1 240.351 0.132 20 0 BCADMP CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519703079 386537443 /nfs/dbraw/zinc/53/74/43/386537443.db2.gz DUWAQSCVJSRLLC-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000335467433 386555457 /nfs/dbraw/zinc/55/54/57/386555457.db2.gz OEMDCIUNHCLWGG-PWSUYJOCSA-N 2 1 243.326 0.146 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC000354090216 386555621 /nfs/dbraw/zinc/55/56/21/386555621.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000354090216 386555627 /nfs/dbraw/zinc/55/56/27/386555627.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000354090216 386555630 /nfs/dbraw/zinc/55/56/30/386555630.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335467502 386555829 /nfs/dbraw/zinc/55/58/29/386555829.db2.gz SNGRTYWBEQANJQ-CABZTGNLSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000335467434 386556972 /nfs/dbraw/zinc/55/69/72/386556972.db2.gz OEMDCIUNHCLWGG-ZYHUDNBSSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417691477 386558309 /nfs/dbraw/zinc/55/83/09/386558309.db2.gz WVBQCAXRSZQVQL-VHSXEESVSA-N 2 1 240.351 0.260 20 0 BCADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000415105316 386623964 /nfs/dbraw/zinc/62/39/64/386623964.db2.gz LVFOLRHCXCUQFN-WDEREUQCSA-N 2 1 239.363 0.713 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179184022 386625335 /nfs/dbraw/zinc/62/53/35/386625335.db2.gz XANYLKTVBKCRSK-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP c1cn(CCC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000425555136 386626789 /nfs/dbraw/zinc/62/67/89/386626789.db2.gz XNVLZHOLYSVYER-LLVKDONJSA-N 2 1 246.318 0.881 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(C)(C)[NH3+] ZINC000415114442 386627822 /nfs/dbraw/zinc/62/78/22/386627822.db2.gz XSCNMCPYNXHWDB-UWVGGRQHSA-N 2 1 216.325 0.459 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1CC(C)(C)[NH3+] ZINC000415114442 386627826 /nfs/dbraw/zinc/62/78/26/386627826.db2.gz XSCNMCPYNXHWDB-UWVGGRQHSA-N 2 1 216.325 0.459 20 0 BCADMP CO[C@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336646664 386639762 /nfs/dbraw/zinc/63/97/62/386639762.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP CO[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336646664 386639767 /nfs/dbraw/zinc/63/97/67/386639767.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000428105203 386640320 /nfs/dbraw/zinc/64/03/20/386640320.db2.gz WQVFOZPUSXHMQR-BPCQOVAHSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000428105203 386640325 /nfs/dbraw/zinc/64/03/25/386640325.db2.gz WQVFOZPUSXHMQR-BPCQOVAHSA-N 2 1 242.363 0.599 20 0 BCADMP COCCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000062912527 386653513 /nfs/dbraw/zinc/65/35/13/386653513.db2.gz MIRPWIYKCPDEMD-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP Cc1nc[nH]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279241185 386653866 /nfs/dbraw/zinc/65/38/66/386653866.db2.gz SLPCXUJXXCABEA-LBPRGKRZSA-N 2 1 248.330 0.961 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414922395 386600109 /nfs/dbraw/zinc/60/01/09/386600109.db2.gz GADVAKZKJDYAGT-VWYCJHECSA-N 2 1 200.326 0.857 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520510 386659989 /nfs/dbraw/zinc/65/99/89/386659989.db2.gz FJEFBDXMHUYBQV-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[NH2+]CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414820102 386665438 /nfs/dbraw/zinc/66/54/38/386665438.db2.gz AGQRECWRYOKHSO-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000335468102 386684547 /nfs/dbraw/zinc/68/45/47/386684547.db2.gz KDRMCCISQAFKMB-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+]CCOCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000357032710 386698036 /nfs/dbraw/zinc/69/80/36/386698036.db2.gz SBRBZVZBDZOIFW-NSHDSACASA-N 2 1 228.336 0.463 20 0 BCADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(C)c1C ZINC000414829046 386701720 /nfs/dbraw/zinc/70/17/20/386701720.db2.gz AGXXPHVVVXAIOC-SECBINFHSA-N 2 1 224.352 0.982 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357066866 386707209 /nfs/dbraw/zinc/70/72/09/386707209.db2.gz CTRDYJSKRUGNLY-NXEZZACHSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357066866 386707214 /nfs/dbraw/zinc/70/72/14/386707214.db2.gz CTRDYJSKRUGNLY-NXEZZACHSA-N 2 1 234.290 0.809 20 0 BCADMP CC(C)N1CCC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000335541278 386722989 /nfs/dbraw/zinc/72/29/89/386722989.db2.gz VMVWXKBZBKENJM-LBPRGKRZSA-N 2 1 239.363 0.809 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000357239577 386745538 /nfs/dbraw/zinc/74/55/38/386745538.db2.gz INXHDYNXWRZKGX-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357240658 386746299 /nfs/dbraw/zinc/74/62/99/386746299.db2.gz JTDHONXKKJOJJS-OPRDCNLKSA-N 2 1 225.336 0.323 20 0 BCADMP CN(C)c1nccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414930082 386746480 /nfs/dbraw/zinc/74/64/80/386746480.db2.gz SLMWNKXGZVRGFH-MNOVXSKESA-N 2 1 249.362 0.902 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000165932057 386751027 /nfs/dbraw/zinc/75/10/27/386751027.db2.gz MSTAKUXVEXNZMN-LLVKDONJSA-N 2 1 235.331 0.582 20 0 BCADMP CC[NH2+]CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414843194 386757168 /nfs/dbraw/zinc/75/71/68/386757168.db2.gz JOCYFTBEWPUMQP-UHFFFAOYSA-N 2 1 228.336 0.917 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CCn1cncn1 ZINC000269185826 386760481 /nfs/dbraw/zinc/76/04/81/386760481.db2.gz LRFSHPOLJOYUBN-UHFFFAOYSA-N 2 1 234.307 0.497 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000394974040 386769945 /nfs/dbraw/zinc/76/99/45/386769945.db2.gz ZNMHCGCTLVEEMX-MWLCHTKSSA-N 2 1 225.336 0.337 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC1C[NH2+]C1 ZINC000417811318 386790728 /nfs/dbraw/zinc/79/07/28/386790728.db2.gz JPFHPSAFHIEGMP-UHFFFAOYSA-N 2 1 242.367 0.237 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414845318 386792004 /nfs/dbraw/zinc/79/20/04/386792004.db2.gz SFSIETYUSWEMRR-JTQLQIEISA-N 2 1 235.331 0.731 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000394974041 386770446 /nfs/dbraw/zinc/77/04/46/386770446.db2.gz ZNMHCGCTLVEEMX-ONGXEEELSA-N 2 1 225.336 0.337 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125272626 386771736 /nfs/dbraw/zinc/77/17/36/386771736.db2.gz YTGAIPBPUWUIBE-UHTWSYAYSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000340814209 386779387 /nfs/dbraw/zinc/77/93/87/386779387.db2.gz HJCGZEVSFMLLOW-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000340814209 386779392 /nfs/dbraw/zinc/77/93/92/386779392.db2.gz HJCGZEVSFMLLOW-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000340814209 386779400 /nfs/dbraw/zinc/77/94/00/386779400.db2.gz HJCGZEVSFMLLOW-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417814187 386782832 /nfs/dbraw/zinc/78/28/32/386782832.db2.gz NDBIMNAXTCVFTE-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCCCC[NH3+] ZINC000417806905 386788565 /nfs/dbraw/zinc/78/85/65/386788565.db2.gz BXCGGXONRSDNPJ-UHFFFAOYSA-N 2 1 244.383 0.756 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@H+]1C ZINC000417995305 386802908 /nfs/dbraw/zinc/80/29/08/386802908.db2.gz DCIWVOPFYACCMP-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000417869959 386806970 /nfs/dbraw/zinc/80/69/70/386806970.db2.gz GQBLROHEQSSCKP-NSHDSACASA-N 2 1 242.367 0.222 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993832 386809620 /nfs/dbraw/zinc/80/96/20/386809620.db2.gz BBMYQEVVBLNDOX-VWYCJHECSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000417993717 386809847 /nfs/dbraw/zinc/80/98/47/386809847.db2.gz BAKRDTIDCZEWMW-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538777 386833427 /nfs/dbraw/zinc/83/34/27/386833427.db2.gz JJNCQGUDLDTSQA-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334784413 386842198 /nfs/dbraw/zinc/84/21/98/386842198.db2.gz KDNGAKPNFIIEJH-SNVBAGLBSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336675161 386854485 /nfs/dbraw/zinc/85/44/85/386854485.db2.gz VCTLBEMMRIHCDT-MNOVXSKESA-N 2 1 226.320 0.481 20 0 BCADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919287 386873855 /nfs/dbraw/zinc/87/38/55/386873855.db2.gz MWTGIGVPRXBLSR-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000334837889 386880538 /nfs/dbraw/zinc/88/05/38/386880538.db2.gz OHYHRYFJSHHSHS-QWRGUYRKSA-N 2 1 229.393 0.375 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334839183 386881803 /nfs/dbraw/zinc/88/18/03/386881803.db2.gz YGNVINVTMFLDOG-CYBMUJFWSA-N 3 1 223.364 0.801 20 0 BCADMP [NH3+]CC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334839183 386881809 /nfs/dbraw/zinc/88/18/09/386881809.db2.gz YGNVINVTMFLDOG-CYBMUJFWSA-N 3 1 223.364 0.801 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418010095 386882790 /nfs/dbraw/zinc/88/27/90/386882790.db2.gz VKDUBHXCHAPSGW-MXWKQRLJSA-N 2 1 242.367 0.376 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341309530 386891039 /nfs/dbraw/zinc/89/10/39/386891039.db2.gz XVFJVMRJUUDKSE-LLVKDONJSA-N 2 1 229.368 0.641 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000358247153 386918840 /nfs/dbraw/zinc/91/88/40/386918840.db2.gz HRPNJGBMFHBXKZ-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000358247153 386918844 /nfs/dbraw/zinc/91/88/44/386918844.db2.gz HRPNJGBMFHBXKZ-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852873 386902345 /nfs/dbraw/zinc/90/23/45/386902345.db2.gz BKJNDGJXJNLGIV-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902914 /nfs/dbraw/zinc/90/29/14/386902914.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902916 /nfs/dbraw/zinc/90/29/16/386902916.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902917 /nfs/dbraw/zinc/90/29/17/386902917.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418012776 386906282 /nfs/dbraw/zinc/90/62/82/386906282.db2.gz YKNSVOBQXYXWLB-IVZWLZJFSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259723 386922198 /nfs/dbraw/zinc/92/21/98/386922198.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259723 386922202 /nfs/dbraw/zinc/92/22/02/386922202.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259723 386922206 /nfs/dbraw/zinc/92/22/06/386922206.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869594 386929054 /nfs/dbraw/zinc/92/90/54/386929054.db2.gz PMMKNUPFXMQKMH-JYBOHDQNSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869594 386929058 /nfs/dbraw/zinc/92/90/58/386929058.db2.gz PMMKNUPFXMQKMH-JYBOHDQNSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869594 386929062 /nfs/dbraw/zinc/92/90/62/386929062.db2.gz PMMKNUPFXMQKMH-JYBOHDQNSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871698 386932644 /nfs/dbraw/zinc/93/26/44/386932644.db2.gz ZPOJTERPCMMQRE-DMOGRIERSA-N 2 1 212.337 0.830 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000341777002 386959213 /nfs/dbraw/zinc/95/92/13/386959213.db2.gz OWPQEVZPJQGCGS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341777002 386959219 /nfs/dbraw/zinc/95/92/19/386959219.db2.gz OWPQEVZPJQGCGS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP Cc1noc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358521642 386971315 /nfs/dbraw/zinc/97/13/15/386971315.db2.gz XVSNZPSOGJMBTD-UHFFFAOYSA-N 2 1 236.319 0.954 20 0 BCADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398935 386975842 /nfs/dbraw/zinc/97/58/42/386975842.db2.gz ZIRTUEKBBQXYCQ-STQMWFEESA-N 2 1 240.395 0.141 20 0 BCADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398933 386976618 /nfs/dbraw/zinc/97/66/18/386976618.db2.gz ZIRTUEKBBQXYCQ-OLZOCXBDSA-N 2 1 240.395 0.141 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000334921171 386997602 /nfs/dbraw/zinc/99/76/02/386997602.db2.gz DLGMIPHDFUFFDL-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000333403437 387032774 /nfs/dbraw/zinc/03/27/74/387032774.db2.gz QHMAMIRHBQCKBE-SNVBAGLBSA-N 2 1 240.351 0.132 20 0 BCADMP C[NH+](C)CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000648107334 387044769 /nfs/dbraw/zinc/04/47/69/387044769.db2.gz BLPQCMQLBYVGID-SNVBAGLBSA-N 2 1 248.330 0.398 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000228005670 387060665 /nfs/dbraw/zinc/06/06/65/387060665.db2.gz XGJYCQVMMHGOCM-QWRGUYRKSA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000228005670 387060667 /nfs/dbraw/zinc/06/06/67/387060667.db2.gz XGJYCQVMMHGOCM-QWRGUYRKSA-N 2 1 227.352 0.380 20 0 BCADMP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000358784105 387013990 /nfs/dbraw/zinc/01/39/90/387013990.db2.gz BYGQIBHONJRNBM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@@H+]1CCCN(CCc2c[nH+]cn2C)CC1 ZINC000639469767 387014239 /nfs/dbraw/zinc/01/42/39/387014239.db2.gz ATLBYGDPEABYCY-UHFFFAOYSA-N 2 1 236.363 0.990 20 0 BCADMP CC[N@H+]1CCCN(CCc2c[nH+]cn2C)CC1 ZINC000639469767 387014247 /nfs/dbraw/zinc/01/42/47/387014247.db2.gz ATLBYGDPEABYCY-UHFFFAOYSA-N 2 1 236.363 0.990 20 0 BCADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000358784107 387014390 /nfs/dbraw/zinc/01/43/90/387014390.db2.gz BYGQIBHONJRNBM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000334939645 387015887 /nfs/dbraw/zinc/01/58/87/387015887.db2.gz UIRSHSAUNPTHCY-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560768 387075315 /nfs/dbraw/zinc/07/53/15/387075315.db2.gz HUKSSWOPPBAOOB-YPMHNXCESA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560768 387075319 /nfs/dbraw/zinc/07/53/19/387075319.db2.gz HUKSSWOPPBAOOB-YPMHNXCESA-N 3 1 223.364 0.978 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560768 387075324 /nfs/dbraw/zinc/07/53/24/387075324.db2.gz HUKSSWOPPBAOOB-YPMHNXCESA-N 3 1 223.364 0.978 20 0 BCADMP COC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334996258 387088560 /nfs/dbraw/zinc/08/85/60/387088560.db2.gz NOBCGPCVELQLNI-UHFFFAOYSA-N 2 1 212.293 0.235 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000067592182 387097464 /nfs/dbraw/zinc/09/74/64/387097464.db2.gz MTDKZGHOKVGNJF-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC000425970925 387097592 /nfs/dbraw/zinc/09/75/92/387097592.db2.gz KRSZTLJCARMHAO-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC000425970925 387097598 /nfs/dbraw/zinc/09/75/98/387097598.db2.gz KRSZTLJCARMHAO-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC000425970925 387097603 /nfs/dbraw/zinc/09/76/03/387097603.db2.gz KRSZTLJCARMHAO-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370304259 387107257 /nfs/dbraw/zinc/10/72/57/387107257.db2.gz XKWDHAUCPGLCGX-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645666135 387113128 /nfs/dbraw/zinc/11/31/28/387113128.db2.gz MDVIOSRTPFSTFW-VHSXEESVSA-N 2 1 225.336 0.052 20 0 BCADMP COC1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCCC1 ZINC000359701189 387150768 /nfs/dbraw/zinc/15/07/68/387150768.db2.gz RLERXROOYBGMSL-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP COC1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCCC1 ZINC000359701189 387150772 /nfs/dbraw/zinc/15/07/72/387150772.db2.gz RLERXROOYBGMSL-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000353210339 387159074 /nfs/dbraw/zinc/15/90/74/387159074.db2.gz YYWOWFMCYVZENB-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321956 387165225 /nfs/dbraw/zinc/16/52/25/387165225.db2.gz GRAGCBBXDFVIJB-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327439 387170710 /nfs/dbraw/zinc/17/07/10/387170710.db2.gz RODRJMHAULVXKR-OASPWFOLSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423327439 387170716 /nfs/dbraw/zinc/17/07/16/387170716.db2.gz RODRJMHAULVXKR-OASPWFOLSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423337687 387185395 /nfs/dbraw/zinc/18/53/95/387185395.db2.gz YRGZBMZFXPNLJH-XWIASGKRSA-N 2 1 223.364 0.939 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338973 387188393 /nfs/dbraw/zinc/18/83/93/387188393.db2.gz BGHWNTDNCVIELS-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CCC(CC)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571939393 387206372 /nfs/dbraw/zinc/20/63/72/387206372.db2.gz LLMAROOMAMJWQE-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CCC(CC)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571939394 387207887 /nfs/dbraw/zinc/20/78/87/387207887.db2.gz LLMAROOMAMJWQE-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(C)C ZINC000300413513 387208153 /nfs/dbraw/zinc/20/81/53/387208153.db2.gz ADKJOCBAMORIKI-QJPTWQEYSA-N 2 1 244.379 0.702 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000353462407 387208484 /nfs/dbraw/zinc/20/84/84/387208484.db2.gz SIVMHVNTLDCSLO-JGVFFNPUSA-N 2 1 235.278 0.085 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000353476120 387210651 /nfs/dbraw/zinc/21/06/51/387210651.db2.gz YLFZATRSEHQYNK-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP COCC[N@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362132 387211832 /nfs/dbraw/zinc/21/18/32/387211832.db2.gz MUDNZSQRPFMQQJ-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP COCCN1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423362132 387211840 /nfs/dbraw/zinc/21/18/40/387211840.db2.gz MUDNZSQRPFMQQJ-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366099 387217499 /nfs/dbraw/zinc/21/74/99/387217499.db2.gz XENIDKKPRFSLPM-DMDPSCGWSA-N 2 1 223.364 0.811 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418203755 387217571 /nfs/dbraw/zinc/21/75/71/387217571.db2.gz WGNZSMGBLJZFLD-WDEREUQCSA-N 2 1 242.367 0.376 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366100 387219215 /nfs/dbraw/zinc/21/92/15/387219215.db2.gz XENIDKKPRFSLPM-LOWVWBTDSA-N 2 1 223.364 0.811 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353520986 387220738 /nfs/dbraw/zinc/22/07/38/387220738.db2.gz QPEUVYMFDYCPGN-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353520988 387220971 /nfs/dbraw/zinc/22/09/71/387220971.db2.gz QPEUVYMFDYCPGN-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP C(C[C@H]1CCOC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602317 387225846 /nfs/dbraw/zinc/22/58/46/387225846.db2.gz TWXJQQOYPMJJSN-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000423373129 387227077 /nfs/dbraw/zinc/22/70/77/387227077.db2.gz WIEDMVYGNDHTDW-USWWRNFRSA-N 2 1 212.337 0.999 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396767 387231801 /nfs/dbraw/zinc/23/18/01/387231801.db2.gz SMOBSJZLWHDPHX-AVGNSLFASA-N 2 1 241.379 0.567 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396767 387231804 /nfs/dbraw/zinc/23/18/04/387231804.db2.gz SMOBSJZLWHDPHX-AVGNSLFASA-N 2 1 241.379 0.567 20 0 BCADMP CN(C)C(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000096981705 387232667 /nfs/dbraw/zinc/23/26/67/387232667.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423398856 387232847 /nfs/dbraw/zinc/23/28/47/387232847.db2.gz UIRAZIQCDUGPOT-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423398856 387232851 /nfs/dbraw/zinc/23/28/51/387232851.db2.gz UIRAZIQCDUGPOT-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406596 387242660 /nfs/dbraw/zinc/24/26/60/387242660.db2.gz UWSRNFDRNCLUCI-RHYQMDGZSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406596 387242664 /nfs/dbraw/zinc/24/26/64/387242664.db2.gz UWSRNFDRNCLUCI-RHYQMDGZSA-N 2 1 211.353 0.524 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348144 387197718 /nfs/dbraw/zinc/19/77/18/387197718.db2.gz SSVZHTLTYZSHCT-TUAOUCFPSA-N 2 1 211.353 0.526 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348144 387197723 /nfs/dbraw/zinc/19/77/23/387197723.db2.gz SSVZHTLTYZSHCT-TUAOUCFPSA-N 2 1 211.353 0.526 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423374253 387198151 /nfs/dbraw/zinc/19/81/51/387198151.db2.gz JQXUMFAMCDVNGZ-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423348436 387199232 /nfs/dbraw/zinc/19/92/32/387199232.db2.gz TWZJJDQBCLZHQH-YUMQZZPRSA-N 2 1 207.268 0.168 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCS[C@H](C)C1 ZINC000514943522 387311786 /nfs/dbraw/zinc/31/17/86/387311786.db2.gz FZXIOUDLDIHMIS-ZJUUUORDSA-N 2 1 218.366 0.394 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCS[C@H](C)C1 ZINC000514943522 387311789 /nfs/dbraw/zinc/31/17/89/387311789.db2.gz FZXIOUDLDIHMIS-ZJUUUORDSA-N 2 1 218.366 0.394 20 0 BCADMP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000423375547 387258231 /nfs/dbraw/zinc/25/82/31/387258231.db2.gz KSIXVRYBRZKVJQ-SNVBAGLBSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378771 387259051 /nfs/dbraw/zinc/25/90/51/387259051.db2.gz ZVFUBLCUTNALFJ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378771 387259054 /nfs/dbraw/zinc/25/90/54/387259054.db2.gz ZVFUBLCUTNALFJ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378774 387260448 /nfs/dbraw/zinc/26/04/48/387260448.db2.gz ZVFUBLCUTNALFJ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378774 387260450 /nfs/dbraw/zinc/26/04/50/387260450.db2.gz ZVFUBLCUTNALFJ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378694 387260496 /nfs/dbraw/zinc/26/04/96/387260496.db2.gz MPMAIXKTOGJIHO-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377569 387260794 /nfs/dbraw/zinc/26/07/94/387260794.db2.gz YZHOHFGNCYJXIX-ZDEQEGDKSA-N 2 1 225.380 0.914 20 0 BCADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423382340 387265966 /nfs/dbraw/zinc/26/59/66/387265966.db2.gz OJSIRGXFHRMHIG-IJLUTSLNSA-N 2 1 213.369 0.914 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360336182 387266062 /nfs/dbraw/zinc/26/60/62/387266062.db2.gz JALSCVWCABJWKP-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2coc(C[NH3+])c2)C1 ZINC000645684705 387267041 /nfs/dbraw/zinc/26/70/41/387267041.db2.gz DTNGVKNNRZJJLR-JTQLQIEISA-N 2 1 237.303 0.562 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423383512 387267976 /nfs/dbraw/zinc/26/79/76/387267976.db2.gz JLQWGEOMDXZJOZ-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423385902 387270631 /nfs/dbraw/zinc/27/06/31/387270631.db2.gz RJMZQJNAORTLFE-QKCSRTOESA-N 2 1 249.358 0.434 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000372105926 387274277 /nfs/dbraw/zinc/27/42/77/387274277.db2.gz SOOHBGSOADGGQE-RNJOBUHISA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372105926 387274281 /nfs/dbraw/zinc/27/42/81/387274281.db2.gz SOOHBGSOADGGQE-RNJOBUHISA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372105926 387274287 /nfs/dbraw/zinc/27/42/87/387274287.db2.gz SOOHBGSOADGGQE-RNJOBUHISA-N 2 1 249.358 0.291 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000514938582 387317816 /nfs/dbraw/zinc/31/78/16/387317816.db2.gz MRYRYAMYBPAGOU-GXSJLCMTSA-N 2 1 238.335 0.980 20 0 BCADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000423393107 387279251 /nfs/dbraw/zinc/27/92/51/387279251.db2.gz YKHMKAONZRRYIN-IJLUTSLNSA-N 2 1 213.369 0.914 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000514732466 387282960 /nfs/dbraw/zinc/28/29/60/387282960.db2.gz JORTZDZATZNWJP-GYSYKLTISA-N 2 1 249.358 0.339 20 0 BCADMP CC[NH2+]CCCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000643499228 387285991 /nfs/dbraw/zinc/28/59/91/387285991.db2.gz LOHAVVMUYDEGQL-NEPJUHHUSA-N 2 1 229.368 0.343 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258848034 387302906 /nfs/dbraw/zinc/30/29/06/387302906.db2.gz QWGDSSYVSLZVMQ-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121186690 387307314 /nfs/dbraw/zinc/30/73/14/387307314.db2.gz JDDLDFKYRSGJOJ-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530286 387358792 /nfs/dbraw/zinc/35/87/92/387358792.db2.gz YTHMCPWGTZDFCU-XQQFMLRXSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000423532485 387358821 /nfs/dbraw/zinc/35/88/21/387358821.db2.gz ZQOVTZZZCJROAD-MDZLAQPJSA-N 2 1 239.363 0.190 20 0 BCADMP CC(C)[C@H](C(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH3+] ZINC000423540548 387365999 /nfs/dbraw/zinc/36/59/99/387365999.db2.gz JTTXKIRKTHLJMQ-YUMQZZPRSA-N 2 1 237.294 0.316 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502389 387366459 /nfs/dbraw/zinc/36/64/59/387366459.db2.gz FEXZAJNEOQQGBU-NEPJUHHUSA-N 2 1 237.351 0.788 20 0 BCADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(N)=O ZINC000360953418 387371939 /nfs/dbraw/zinc/37/19/39/387371939.db2.gz AKEDMSACQILMRB-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462777 387320734 /nfs/dbraw/zinc/32/07/34/387320734.db2.gz LVWJYTBXCFHSJA-UPJWGTAASA-N 2 1 223.364 0.940 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423430542 387327517 /nfs/dbraw/zinc/32/75/17/387327517.db2.gz LAPNXKWDCJELQI-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+](CCCO)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000372882047 387333439 /nfs/dbraw/zinc/33/34/39/387333439.db2.gz MCXUZNBYZXLKIH-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP CC[NH2+]CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000515220962 387347396 /nfs/dbraw/zinc/34/73/96/387347396.db2.gz KBQAQMWEDJACKD-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000423782326 387424378 /nfs/dbraw/zinc/42/43/78/387424378.db2.gz ZAZGQFKIYIHVOE-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC[C@H](C)[NH3+] ZINC000423779059 387425722 /nfs/dbraw/zinc/42/57/22/387425722.db2.gz UMHGEYGTBPUVBB-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374157921 387427643 /nfs/dbraw/zinc/42/76/43/387427643.db2.gz GPQWTKCHCYRUBS-LOWDOPEQSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000374157921 387427649 /nfs/dbraw/zinc/42/76/49/387427649.db2.gz GPQWTKCHCYRUBS-LOWDOPEQSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000374157921 387427654 /nfs/dbraw/zinc/42/76/54/387427654.db2.gz GPQWTKCHCYRUBS-LOWDOPEQSA-N 2 1 224.348 0.783 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000423800325 387429982 /nfs/dbraw/zinc/42/99/82/387429982.db2.gz LJYDBYYBYUCWRE-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423842231 387434612 /nfs/dbraw/zinc/43/46/12/387434612.db2.gz GVPJVBAPVGMLJC-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837654 387435263 /nfs/dbraw/zinc/43/52/63/387435263.db2.gz BGEKEDAIMDWROR-ZYHUDNBSSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423855961 387437220 /nfs/dbraw/zinc/43/72/20/387437220.db2.gz XPQYDQDMXQAXFW-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](O)CCC[N@@H+](C)C1CCN(CCO)CC1 ZINC000354902840 387444970 /nfs/dbraw/zinc/44/49/70/387444970.db2.gz XOJOQPLDFRAFMJ-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423953221 387457420 /nfs/dbraw/zinc/45/74/20/387457420.db2.gz AXSUTXGEAXXRRB-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423953217 387458098 /nfs/dbraw/zinc/45/80/98/387458098.db2.gz AXSUTXGEAXXRRB-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[N@H+]1C ZINC000648112099 387394508 /nfs/dbraw/zinc/39/45/08/387394508.db2.gz UOJVDJSGVXMKLP-IRCOFANPSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000423776976 387423260 /nfs/dbraw/zinc/42/32/60/387423260.db2.gz QXOFSAXHCHZMAC-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000361695294 387521850 /nfs/dbraw/zinc/52/18/50/387521850.db2.gz DEOVLVLZPKKQRX-CABZTGNLSA-N 2 1 233.315 0.637 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000361695294 387521854 /nfs/dbraw/zinc/52/18/54/387521854.db2.gz DEOVLVLZPKKQRX-CABZTGNLSA-N 2 1 233.315 0.637 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106919956 387527814 /nfs/dbraw/zinc/52/78/14/387527814.db2.gz XXYKFSDFTPPCJF-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106919956 387527818 /nfs/dbraw/zinc/52/78/18/387527818.db2.gz XXYKFSDFTPPCJF-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423997945 387463635 /nfs/dbraw/zinc/46/36/35/387463635.db2.gz MABJEPWHWUAXAH-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000114072917 387469863 /nfs/dbraw/zinc/46/98/63/387469863.db2.gz CURNRDSNYPDDFM-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424046959 387470008 /nfs/dbraw/zinc/47/00/08/387470008.db2.gz MTELSFLAVMLGCK-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP C[C@H](O)C[NH+](C)C/C=C/C[N@H+](C)C[C@H](C)O ZINC000361499871 387475176 /nfs/dbraw/zinc/47/51/76/387475176.db2.gz WOQQEXFDSULKBT-WTIVYXKASA-N 2 1 230.352 0.168 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000304437636 387479793 /nfs/dbraw/zinc/47/97/93/387479793.db2.gz URNWZZSMETZMPP-NEPJUHHUSA-N 2 1 222.336 0.861 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000396746740 387488175 /nfs/dbraw/zinc/48/81/75/387488175.db2.gz ZRAZKPFAJIOPAE-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636572 387611465 /nfs/dbraw/zinc/61/14/65/387611465.db2.gz NCZGCUWIHLBNOJ-UTUOFQBUSA-N 3 1 229.368 0.267 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687714 387612733 /nfs/dbraw/zinc/61/27/33/387612733.db2.gz BYKASLQYIHTPCT-UPJWGTAASA-N 2 1 225.380 0.916 20 0 BCADMP CN(C(=O)C[NH2+][C@](C)(CN)C1CC1)C1CC1 ZINC000430588428 387629403 /nfs/dbraw/zinc/62/94/03/387629403.db2.gz ZDZDLQAGMPUPRY-GFCCVEGCSA-N 2 1 225.336 0.324 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422712257 387624682 /nfs/dbraw/zinc/62/46/82/387624682.db2.gz NUDKDOZLQUYEDE-AGIUHOORSA-N 2 1 241.379 0.567 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422712257 387624687 /nfs/dbraw/zinc/62/46/87/387624687.db2.gz NUDKDOZLQUYEDE-AGIUHOORSA-N 2 1 241.379 0.567 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712693 387626069 /nfs/dbraw/zinc/62/60/69/387626069.db2.gz ONTIPHKYGIMELX-FRRDWIJNSA-N 2 1 243.395 0.813 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422712693 387626071 /nfs/dbraw/zinc/62/60/71/387626071.db2.gz ONTIPHKYGIMELX-FRRDWIJNSA-N 2 1 243.395 0.813 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422712696 387626451 /nfs/dbraw/zinc/62/64/51/387626451.db2.gz ONTIPHKYGIMELX-YNEHKIRRSA-N 2 1 243.395 0.813 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422712696 387626455 /nfs/dbraw/zinc/62/64/55/387626455.db2.gz ONTIPHKYGIMELX-YNEHKIRRSA-N 2 1 243.395 0.813 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000426347159 387558495 /nfs/dbraw/zinc/55/84/95/387558495.db2.gz RZTVJVGCYJJCAR-YFKTTZPYSA-N 2 1 239.363 0.583 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000426347157 387558715 /nfs/dbraw/zinc/55/87/15/387558715.db2.gz RZTVJVGCYJJCAR-NNYUYHANSA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@H](COC)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305144963 387561588 /nfs/dbraw/zinc/56/15/88/387561588.db2.gz RKYFLMWRJTYKJS-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP Cn1nccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648935 387564507 /nfs/dbraw/zinc/56/45/07/387564507.db2.gz YDNFVFFGYPJARW-NSHDSACASA-N 2 1 234.347 0.994 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648935 387564511 /nfs/dbraw/zinc/56/45/11/387564511.db2.gz YDNFVFFGYPJARW-NSHDSACASA-N 2 1 234.347 0.994 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648935 387564515 /nfs/dbraw/zinc/56/45/15/387564515.db2.gz YDNFVFFGYPJARW-NSHDSACASA-N 2 1 234.347 0.994 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCOCC1 ZINC000430553024 387627794 /nfs/dbraw/zinc/62/77/94/387627794.db2.gz SOJCRXHDRWPZQB-LBPRGKRZSA-N 2 1 229.368 0.282 20 0 BCADMP CC(C)N(CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000124745813 387630402 /nfs/dbraw/zinc/63/04/02/387630402.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCSCC1 ZINC000422718039 387631312 /nfs/dbraw/zinc/63/13/12/387631312.db2.gz WQWFFDUFYXWYLE-VXGBXAGGSA-N 2 1 243.420 0.623 20 0 BCADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422725661 387636852 /nfs/dbraw/zinc/63/68/52/387636852.db2.gz YJTNVIZOFUKESZ-NWDGAFQWSA-N 3 1 225.380 0.916 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000376526322 387646932 /nfs/dbraw/zinc/64/69/32/387646932.db2.gz GVTXWCSFRHGWSS-GFCCVEGCSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430741803 387647203 /nfs/dbraw/zinc/64/72/03/387647203.db2.gz FAWGICLFOIDAFB-DCAQKATOSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422746167 387651288 /nfs/dbraw/zinc/65/12/88/387651288.db2.gz WBVXXFJVAAEFJY-GARJFASQSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422746167 387651292 /nfs/dbraw/zinc/65/12/92/387651292.db2.gz WBVXXFJVAAEFJY-GARJFASQSA-N 2 1 211.353 0.939 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000430795862 387652177 /nfs/dbraw/zinc/65/21/77/387652177.db2.gz IMXCEHWTVWYABR-HBNTYKKESA-N 2 1 227.352 0.665 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430889280 387657993 /nfs/dbraw/zinc/65/79/93/387657993.db2.gz KRAXNZAQDYHBOR-NEPJUHHUSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430899584 387658476 /nfs/dbraw/zinc/65/84/76/387658476.db2.gz MECWOTGCYAKNGR-GXSJLCMTSA-N 2 1 225.336 0.419 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430889282 387658876 /nfs/dbraw/zinc/65/88/76/387658876.db2.gz KRAXNZAQDYHBOR-RYUDHWBXSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430890637 387658961 /nfs/dbraw/zinc/65/89/61/387658961.db2.gz RHEYCIBDLHKVTP-VXGBXAGGSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430896930 387659536 /nfs/dbraw/zinc/65/95/36/387659536.db2.gz LRKJVBATWGHPFJ-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430921944 387660616 /nfs/dbraw/zinc/66/06/16/387660616.db2.gz VXYCHVSSJFGENO-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430922629 387660858 /nfs/dbraw/zinc/66/08/58/387660858.db2.gz BPPZAZWEMZRSJU-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430922629 387660860 /nfs/dbraw/zinc/66/08/60/387660860.db2.gz BPPZAZWEMZRSJU-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932887 387664227 /nfs/dbraw/zinc/66/42/27/387664227.db2.gz GRRUMFLVXGIYCF-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932887 387664229 /nfs/dbraw/zinc/66/42/29/387664229.db2.gz GRRUMFLVXGIYCF-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305841584 387664323 /nfs/dbraw/zinc/66/43/23/387664323.db2.gz RGZRPOJJGGTAPB-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305966087 387668315 /nfs/dbraw/zinc/66/83/15/387668315.db2.gz XUJIOXPHUDYDNB-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305966093 387668553 /nfs/dbraw/zinc/66/85/53/387668553.db2.gz XUJIOXPHUDYDNB-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422771350 387669904 /nfs/dbraw/zinc/66/99/04/387669904.db2.gz RDOLYFBTYMBZJM-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019069 387670415 /nfs/dbraw/zinc/67/04/15/387670415.db2.gz KPMGYJUXPFQRJC-KOLCDFICSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])C[N@H+]1C1CC1 ZINC000431027955 387670453 /nfs/dbraw/zinc/67/04/53/387670453.db2.gz ZPAHDVCCEIZOHM-ZJUUUORDSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431021690 387670898 /nfs/dbraw/zinc/67/08/98/387670898.db2.gz ARYGVWRYDLLVTK-DVVUODLYSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139005 387674103 /nfs/dbraw/zinc/67/41/03/387674103.db2.gz DRTYCTNMYTYPDW-YTWAJWBKSA-N 2 1 223.320 0.029 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000451944103 387684760 /nfs/dbraw/zinc/68/47/60/387684760.db2.gz FYFAZXXBWBQSOF-VXGBXAGGSA-N 2 1 239.319 0.585 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C ZINC000356644303 387685442 /nfs/dbraw/zinc/68/54/42/387685442.db2.gz MCAYPRGDHVSJPB-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000126522633 387686977 /nfs/dbraw/zinc/68/69/77/387686977.db2.gz KNMWYYHRIHHEKP-CHWSQXEVSA-N 2 1 249.362 0.885 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422786195 387687098 /nfs/dbraw/zinc/68/70/98/387687098.db2.gz SIOUCYMWYWSUHG-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422865989 387746272 /nfs/dbraw/zinc/74/62/72/387746272.db2.gz ZSBUBHFNCMYSGA-YNEHKIRRSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871525 387749794 /nfs/dbraw/zinc/74/97/94/387749794.db2.gz DABCFPYVAVJJSH-FOGDFJRCSA-N 2 1 209.337 0.421 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000422872951 387753405 /nfs/dbraw/zinc/75/34/05/387753405.db2.gz JHGVLCJWBNEHCL-UPJWGTAASA-N 2 1 242.363 0.770 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127034700 387704336 /nfs/dbraw/zinc/70/43/36/387704336.db2.gz CCGDZFOOOKSKRW-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@@H+](CCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422879550 387755492 /nfs/dbraw/zinc/75/54/92/387755492.db2.gz MLYQFCFELZRMTF-LLVKDONJSA-N 2 1 213.369 0.914 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422841394 387731693 /nfs/dbraw/zinc/73/16/93/387731693.db2.gz CWOQYDVKLSURRM-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422841394 387731699 /nfs/dbraw/zinc/73/16/99/387731699.db2.gz CWOQYDVKLSURRM-CHWSQXEVSA-N 3 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422841394 387731704 /nfs/dbraw/zinc/73/17/04/387731704.db2.gz CWOQYDVKLSURRM-CHWSQXEVSA-N 3 1 243.395 0.672 20 0 BCADMP COCCN(C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422841394 387731708 /nfs/dbraw/zinc/73/17/08/387731708.db2.gz CWOQYDVKLSURRM-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422848136 387735282 /nfs/dbraw/zinc/73/52/82/387735282.db2.gz SNPJDISCMZKOBH-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422852226 387738957 /nfs/dbraw/zinc/73/89/57/387738957.db2.gz XSDVHFYMTWFICM-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CC12CC2 ZINC000527889629 387774679 /nfs/dbraw/zinc/77/46/79/387774679.db2.gz HMJZZRIDWWAPLT-GVXVVHGQSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527889629 387774681 /nfs/dbraw/zinc/77/46/81/387774681.db2.gz HMJZZRIDWWAPLT-GVXVVHGQSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)CO ZINC000309442167 387779467 /nfs/dbraw/zinc/77/94/67/387779467.db2.gz OHLUASQZHHDBDK-FOGDFJRCSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)CO ZINC000309442167 387779470 /nfs/dbraw/zinc/77/94/70/387779470.db2.gz OHLUASQZHHDBDK-FOGDFJRCSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422937335 387783695 /nfs/dbraw/zinc/78/36/95/387783695.db2.gz JMOGOXICZLBAEU-USWWRNFRSA-N 2 1 234.347 0.997 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979520 387790002 /nfs/dbraw/zinc/79/00/02/387790002.db2.gz MYXMJFBVCZUYSP-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422981229 387790661 /nfs/dbraw/zinc/79/06/61/387790661.db2.gz SIHODQYCDHWVOF-YNEHKIRRSA-N 2 1 244.379 0.894 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422981227 387792190 /nfs/dbraw/zinc/79/21/90/387792190.db2.gz SIHODQYCDHWVOF-JHJVBQTASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422980509 387792416 /nfs/dbraw/zinc/79/24/16/387792416.db2.gz PYVHPKBOPBRCRQ-YUSALJHKSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@H]1CCC[NH2+]1 ZINC000422989668 387797113 /nfs/dbraw/zinc/79/71/13/387797113.db2.gz BAOXZNSLGUJVMU-HBNTYKKESA-N 2 1 230.377 0.585 20 0 BCADMP CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422988856 387797679 /nfs/dbraw/zinc/79/76/79/387797679.db2.gz ACNQGZDLBJJYEN-WOPDTQHZSA-N 2 1 244.404 0.975 20 0 BCADMP CSCC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422988364 387797884 /nfs/dbraw/zinc/79/78/84/387797884.db2.gz IUYQUOPLVVOOCC-GARJFASQSA-N 2 1 232.393 0.831 20 0 BCADMP CSCC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422988368 387798011 /nfs/dbraw/zinc/79/80/11/387798011.db2.gz IUYQUOPLVVOOCC-OUAUKWLOSA-N 2 1 232.393 0.831 20 0 BCADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988089 387798713 /nfs/dbraw/zinc/79/87/13/387798713.db2.gz ICTIXDATTJJFBX-VOAKCMCISA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988089 387798718 /nfs/dbraw/zinc/79/87/18/387798718.db2.gz ICTIXDATTJJFBX-VOAKCMCISA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990243 387799363 /nfs/dbraw/zinc/79/93/63/387799363.db2.gz MYZUIOXGLABICH-WYUUTHIRSA-N 2 1 211.353 0.524 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442614257 387807335 /nfs/dbraw/zinc/80/73/35/387807335.db2.gz GNWZCTGPJZNORU-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCCO)C1CC1 ZINC000309472337 387807426 /nfs/dbraw/zinc/80/74/26/387807426.db2.gz UMAFCPQQHHZGPC-LBPRGKRZSA-N 2 1 230.352 0.194 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCCO)C1CC1 ZINC000309472337 387807431 /nfs/dbraw/zinc/80/74/31/387807431.db2.gz UMAFCPQQHHZGPC-LBPRGKRZSA-N 2 1 230.352 0.194 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882208 387758440 /nfs/dbraw/zinc/75/84/40/387758440.db2.gz ANSOPOXLIDFQHJ-RWMBFGLXSA-N 2 1 241.379 0.424 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882208 387758442 /nfs/dbraw/zinc/75/84/42/387758442.db2.gz ANSOPOXLIDFQHJ-RWMBFGLXSA-N 2 1 241.379 0.424 20 0 BCADMP C[NH+](C)CCCCNC(=O)CC(F)(F)C[NH3+] ZINC000564096416 387826792 /nfs/dbraw/zinc/82/67/92/387826792.db2.gz ACUFWMPYARWPOC-UHFFFAOYSA-N 2 1 237.294 0.429 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000309598196 387831624 /nfs/dbraw/zinc/83/16/24/387831624.db2.gz JEOQSGNJTMZICW-NSHDSACASA-N 3 1 215.341 0.023 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](CC)[C@@H]1CCCC[NH2+]1 ZINC000423011703 387833094 /nfs/dbraw/zinc/83/30/94/387833094.db2.gz ZVSBTFNXJJDMGN-UPJWGTAASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCN(C2CC2)C1=O ZINC000442751174 387833880 /nfs/dbraw/zinc/83/38/80/387833880.db2.gz BTVJGUFSYGFANK-FOGDFJRCSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CCC1 ZINC000442767808 387835358 /nfs/dbraw/zinc/83/53/58/387835358.db2.gz RRMPSDRRNMZQJT-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1CCC1 ZINC000442767808 387835363 /nfs/dbraw/zinc/83/53/63/387835363.db2.gz RRMPSDRRNMZQJT-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC000442751176 387835857 /nfs/dbraw/zinc/83/58/57/387835857.db2.gz BTVJGUFSYGFANK-JFGNBEQYSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777710 387837793 /nfs/dbraw/zinc/83/77/93/387837793.db2.gz JQWTVBFTJHGUDT-SDDRHHMPSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000442792524 387841573 /nfs/dbraw/zinc/84/15/73/387841573.db2.gz QHVSIVAYKQVARA-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000442789396 387841656 /nfs/dbraw/zinc/84/16/56/387841656.db2.gz ZDJJHNMMPUEHIM-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423031334 387846450 /nfs/dbraw/zinc/84/64/50/387846450.db2.gz XBXKOAXTRXBXPO-WYUUTHIRSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](NC2CC[NH2+]CC2)CCC[N@H+]1C ZINC000423036417 387851345 /nfs/dbraw/zinc/85/13/45/387851345.db2.gz TZOWDYWYQQUECS-ZYHUDNBSSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1[C@H]([NH2+]C2CC[NH2+]CC2)CCCN1C ZINC000423036417 387851348 /nfs/dbraw/zinc/85/13/48/387851348.db2.gz TZOWDYWYQQUECS-ZYHUDNBSSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423036450 387851534 /nfs/dbraw/zinc/85/15/34/387851534.db2.gz UASDBGHJVKSRGG-MNOVXSKESA-N 2 1 212.337 0.737 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)O ZINC000423060767 387864404 /nfs/dbraw/zinc/86/44/04/387864404.db2.gz IVCDHUKZLGXLAA-ZJUUUORDSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536237 387867849 /nfs/dbraw/zinc/86/78/49/387867849.db2.gz OZYMGANMVXZUOY-QJPTWQEYSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)N)CC1 ZINC000442659114 387815165 /nfs/dbraw/zinc/81/51/65/387815165.db2.gz KIFSBHQEBKEIOP-NWDGAFQWSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@@H](O)C[NH+]1CCC(CN(C)C[C@H](C)[NH3+])CC1 ZINC000442659114 387815169 /nfs/dbraw/zinc/81/51/69/387815169.db2.gz KIFSBHQEBKEIOP-NWDGAFQWSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392920127 387815327 /nfs/dbraw/zinc/81/53/27/387815327.db2.gz JGEMSQDTPUVQTA-GHMZBOCLSA-N 2 1 225.336 0.348 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442662978 387816819 /nfs/dbraw/zinc/81/68/19/387816819.db2.gz GIEXOFCXOVXBLZ-RYUDHWBXSA-N 2 1 213.369 0.997 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)[C@H](C)[NH3+] ZINC000392920129 387817197 /nfs/dbraw/zinc/81/71/97/387817197.db2.gz JGEMSQDTPUVQTA-MNOVXSKESA-N 2 1 225.336 0.348 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)COCC1CC1)[C@H]1CCC[NH2+]1 ZINC000422969666 387819015 /nfs/dbraw/zinc/81/90/15/387819015.db2.gz DDABCXAEAXPYEO-WCFLWFBJSA-N 2 1 242.363 0.504 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000423104777 387891056 /nfs/dbraw/zinc/89/10/56/387891056.db2.gz MRBGLFPKOSXMTB-QWRGUYRKSA-N 2 1 212.337 0.879 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000444645121 387892498 /nfs/dbraw/zinc/89/24/98/387892498.db2.gz XCPWKGNXRJEFDH-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP OCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157939896 387885951 /nfs/dbraw/zinc/88/59/51/387885951.db2.gz RHWNFUPQQNRWHW-RYUDHWBXSA-N 2 1 212.337 0.975 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCO1 ZINC000313358097 387888094 /nfs/dbraw/zinc/88/80/94/387888094.db2.gz SRKMHERXJXRBKT-RYUDHWBXSA-N 2 1 228.336 0.605 20 0 BCADMP CC[N@@H+](CCNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000236856431 387907504 /nfs/dbraw/zinc/90/75/04/387907504.db2.gz NOXNBHVMJKPQPE-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648712761 387909881 /nfs/dbraw/zinc/90/98/81/387909881.db2.gz PUKRSQLBOYSNJA-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423132258 387910219 /nfs/dbraw/zinc/91/02/19/387910219.db2.gz PCOICTOSPPOROU-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648712933 387934475 /nfs/dbraw/zinc/93/44/75/387934475.db2.gz ZCDQIUYPBCYIPP-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648712933 387934483 /nfs/dbraw/zinc/93/44/83/387934483.db2.gz ZCDQIUYPBCYIPP-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000178831629 387926122 /nfs/dbraw/zinc/92/61/22/387926122.db2.gz QYWSQJFQXSKTNP-YPMHNXCESA-N 2 1 247.342 0.724 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533544 387937699 /nfs/dbraw/zinc/93/76/99/387937699.db2.gz PECOPLUTVMQINP-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533544 387937704 /nfs/dbraw/zinc/93/77/04/387937704.db2.gz PECOPLUTVMQINP-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423176040 387961644 /nfs/dbraw/zinc/96/16/44/387961644.db2.gz BQEYFYDKYKEDSN-STQMWFEESA-N 3 1 240.395 0.012 20 0 BCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@@H]1C ZINC000423195281 387979473 /nfs/dbraw/zinc/97/94/73/387979473.db2.gz ZFOUDIMLRMTLIK-HBNTYKKESA-N 2 1 228.336 0.903 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194368 387980529 /nfs/dbraw/zinc/98/05/29/387980529.db2.gz RIFYWLYSTIMCIR-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000424368047 387991531 /nfs/dbraw/zinc/99/15/31/387991531.db2.gz OQXGRXIIWFFITG-NSHDSACASA-N 3 1 247.333 0.820 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCOCC[NH3+])C1 ZINC000086435353 135084675 /nfs/dbraw/zinc/08/46/75/135084675.db2.gz QNOJPOGHVPDAFA-PHIMTYICSA-N 2 1 200.326 0.940 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245920717 387992870 /nfs/dbraw/zinc/99/28/70/387992870.db2.gz GZNIJTWFYIPXRY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245920717 387992875 /nfs/dbraw/zinc/99/28/75/387992875.db2.gz GZNIJTWFYIPXRY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000420405876 387999040 /nfs/dbraw/zinc/99/90/40/387999040.db2.gz NBISYCUBACMDNE-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423222207 388002137 /nfs/dbraw/zinc/00/21/37/388002137.db2.gz AFMOLAURXMYNRC-GMTAPVOTSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709994 135099214 /nfs/dbraw/zinc/09/92/14/135099214.db2.gz FJSLDWJPTWSGJU-IJLUTSLNSA-N 2 1 214.353 0.935 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371887 387996302 /nfs/dbraw/zinc/99/63/02/387996302.db2.gz VWWGONXHUCBQST-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423242924 388026240 /nfs/dbraw/zinc/02/62/40/388026240.db2.gz JQDKHFOXHBEUNR-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229378 388015412 /nfs/dbraw/zinc/01/54/12/388015412.db2.gz BASYYRQXCQEJNA-WZRBSPASSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000446374119 388017444 /nfs/dbraw/zinc/01/74/44/388017444.db2.gz FKNVQCUKBXYISZ-DCAQKATOSA-N 2 1 237.347 0.337 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423236372 388021323 /nfs/dbraw/zinc/02/13/23/388021323.db2.gz CBKAAUYOHOZEAO-WDEREUQCSA-N 2 1 211.353 0.811 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423256203 388036694 /nfs/dbraw/zinc/03/66/94/388036694.db2.gz BMMSIJQCHRXKFI-UHTWSYAYSA-N 2 1 241.379 0.199 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423257921 388038580 /nfs/dbraw/zinc/03/85/80/388038580.db2.gz ASNHBGLNSFKRTQ-OLZOCXBDSA-N 2 1 243.395 0.670 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000446821671 388040067 /nfs/dbraw/zinc/04/00/67/388040067.db2.gz ROWLRJVYNZUUEQ-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP CN(C)c1nc(N[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000082924387 388043281 /nfs/dbraw/zinc/04/32/81/388043281.db2.gz FWXKQQBBIMASFT-SECBINFHSA-N 2 1 221.308 0.707 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423244856 388028089 /nfs/dbraw/zinc/02/80/89/388028089.db2.gz XWMOPMZQAUYLGW-GRYCIOLGSA-N 2 1 223.364 0.953 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423248497 388031227 /nfs/dbraw/zinc/03/12/27/388031227.db2.gz QTXPDDVKCWKNND-GRYCIOLGSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423278844 388060034 /nfs/dbraw/zinc/06/00/34/388060034.db2.gz RRQBHCOQUPXPJF-SRVKXCTJSA-N 2 1 213.369 0.949 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278168 388060236 /nfs/dbraw/zinc/06/02/36/388060236.db2.gz QRDJZFOQJFSKAE-AGIUHOORSA-N 3 1 225.380 0.964 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H]2CCC[C@H]21 ZINC000453376906 388063719 /nfs/dbraw/zinc/06/37/19/388063719.db2.gz VFTCRMUTVJAGGO-RXGFPQBGSA-N 2 1 224.348 0.972 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447518314 388076248 /nfs/dbraw/zinc/07/62/48/388076248.db2.gz NOPSEHKJKZRKSY-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423325009 388078600 /nfs/dbraw/zinc/07/86/00/388078600.db2.gz LKHAKNNZVFAUFT-KXUCPTDWSA-N 2 1 235.322 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423325009 388078602 /nfs/dbraw/zinc/07/86/02/388078602.db2.gz LKHAKNNZVFAUFT-KXUCPTDWSA-N 2 1 235.322 0.899 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000084720486 388080495 /nfs/dbraw/zinc/08/04/95/388080495.db2.gz QERRZSHECRVXAO-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CCCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000084720486 388080497 /nfs/dbraw/zinc/08/04/97/388080497.db2.gz QERRZSHECRVXAO-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638134 388105981 /nfs/dbraw/zinc/10/59/81/388105981.db2.gz VEYNZEQIVSISRZ-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638134 388105984 /nfs/dbraw/zinc/10/59/84/388105984.db2.gz VEYNZEQIVSISRZ-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP COC(=O)C[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000086703488 388106555 /nfs/dbraw/zinc/10/65/55/388106555.db2.gz ATPHRUWSMFPVNN-UHFFFAOYSA-N 2 1 228.336 0.869 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271320 388049619 /nfs/dbraw/zinc/04/96/19/388049619.db2.gz IXZQUKPQMSZSPU-NWDGAFQWSA-N 2 1 229.368 0.280 20 0 BCADMP COCCN1CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000423271320 388049623 /nfs/dbraw/zinc/04/96/23/388049623.db2.gz IXZQUKPQMSZSPU-NWDGAFQWSA-N 2 1 229.368 0.280 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000646185811 388161023 /nfs/dbraw/zinc/16/10/23/388161023.db2.gz KJLRIYRAYGYGDL-AXFHLTTASA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222569 388167577 /nfs/dbraw/zinc/16/75/77/388167577.db2.gz JGZAJBDQCINXRV-MWLCHTKSSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222558 388167605 /nfs/dbraw/zinc/16/76/05/388167605.db2.gz JGZAJBDQCINXRV-GXSJLCMTSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000449320541 388172322 /nfs/dbraw/zinc/17/23/22/388172322.db2.gz OERKIQVJZLCBST-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000488503327 388183021 /nfs/dbraw/zinc/18/30/21/388183021.db2.gz UKIRAIUTIDFJOQ-VWYCJHECSA-N 2 1 227.352 0.250 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000646042437 388130780 /nfs/dbraw/zinc/13/07/80/388130780.db2.gz WNBRFNUAVLPLCR-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000646042437 388130782 /nfs/dbraw/zinc/13/07/82/388130782.db2.gz WNBRFNUAVLPLCR-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@@H]1CC[NH2+]C1 ZINC000646070925 388136888 /nfs/dbraw/zinc/13/68/88/388136888.db2.gz WSTZSOYYAFPOBF-NXEZZACHSA-N 2 1 209.293 0.967 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000449078812 388139867 /nfs/dbraw/zinc/13/98/67/388139867.db2.gz YTYOOZCJEMZDLV-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000449093779 388141397 /nfs/dbraw/zinc/14/13/97/388141397.db2.gz YKMVHMCUEKXZTP-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000449098791 388142058 /nfs/dbraw/zinc/14/20/58/388142058.db2.gz KYELVDVFYVSVNJ-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000449102787 388142925 /nfs/dbraw/zinc/14/29/25/388142925.db2.gz LPYAFIAYHLDFQY-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP CCOCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103328 388143321 /nfs/dbraw/zinc/14/33/21/388143321.db2.gz CKNKENVIFAQWAR-UHFFFAOYSA-N 2 1 242.363 0.820 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000449115270 388144410 /nfs/dbraw/zinc/14/44/10/388144410.db2.gz LBZAGSWCFVZMNP-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661771 388249816 /nfs/dbraw/zinc/24/98/16/388249816.db2.gz DHOMPDGDQWLGNW-SECBINFHSA-N 2 1 249.305 0.440 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C)CC2)CC[N@H+]1C ZINC000648714031 388250877 /nfs/dbraw/zinc/25/08/77/388250877.db2.gz OCUCAXJVHRSLGD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C)CC2)CC[NH+]1C ZINC000648714031 388250880 /nfs/dbraw/zinc/25/08/80/388250880.db2.gz OCUCAXJVHRSLGD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1C ZINC000648714031 388250882 /nfs/dbraw/zinc/25/08/82/388250882.db2.gz OCUCAXJVHRSLGD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000517926061 256553840 /nfs/dbraw/zinc/55/38/40/256553840.db2.gz WPSFQRZHWHJSKE-SCVCMEIPSA-N 2 1 230.352 0.455 20 0 BCADMP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000517926061 256553842 /nfs/dbraw/zinc/55/38/42/256553842.db2.gz WPSFQRZHWHJSKE-SCVCMEIPSA-N 2 1 230.352 0.455 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569497 388235154 /nfs/dbraw/zinc/23/51/54/388235154.db2.gz HMBMDVQETPBJRC-KXNHARMFSA-N 2 1 237.347 0.195 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449571380 388235686 /nfs/dbraw/zinc/23/56/86/388235686.db2.gz KDDUTXCFHGOMKD-JBLDHEPKSA-N 2 1 245.342 0.520 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576287 388236719 /nfs/dbraw/zinc/23/67/19/388236719.db2.gz RIUWJAQWDYQMHB-ZYHUDNBSSA-N 2 1 245.342 0.664 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449575390 388236834 /nfs/dbraw/zinc/23/68/34/388236834.db2.gz MFRHDZXTSQHAPD-JQWIXIFHSA-N 2 1 245.342 0.535 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449577694 388236960 /nfs/dbraw/zinc/23/69/60/388236960.db2.gz XNWPXJDDNKLGAS-CMPLNLGQSA-N 2 1 245.342 0.377 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608568 388241913 /nfs/dbraw/zinc/24/19/13/388241913.db2.gz IKABFTBXTUWDAO-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])CC ZINC000449608955 388242730 /nfs/dbraw/zinc/24/27/30/388242730.db2.gz LRZONCROTDVCLH-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CC[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491854573 388324933 /nfs/dbraw/zinc/32/49/33/388324933.db2.gz YHDLYSWZNXAJSL-WAYWQWQTSA-N 2 1 239.363 0.705 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491881093 388326012 /nfs/dbraw/zinc/32/60/12/388326012.db2.gz GCQIPPNYIBUJQC-KRZKBDHCSA-N 2 1 241.379 0.951 20 0 BCADMP CN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000491901826 388327026 /nfs/dbraw/zinc/32/70/26/388327026.db2.gz CHUZCESSFKZCQX-XYLWRLHESA-N 2 1 239.363 0.657 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460011 256638797 /nfs/dbraw/zinc/63/87/97/256638797.db2.gz QRVWWBVCEYQBPX-QJPTWQEYSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953519 388269106 /nfs/dbraw/zinc/26/91/06/388269106.db2.gz XUCCSJLGMZCWON-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953359 388269767 /nfs/dbraw/zinc/26/97/67/388269767.db2.gz QRWNDGBHGDNRBI-NSHDSACASA-N 2 1 225.336 0.326 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC000516562882 388348256 /nfs/dbraw/zinc/34/82/56/388348256.db2.gz DHVLTZAKPJOIDR-UHFFFAOYSA-N 2 1 230.352 0.459 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)COCC[NH3+] ZINC000646453831 388360820 /nfs/dbraw/zinc/36/08/20/388360820.db2.gz ILHWJZMVXHSJER-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CO[C@H]1CCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000234905456 388363411 /nfs/dbraw/zinc/36/34/11/388363411.db2.gz USNMBECRVDPUMK-QMMMGPOBSA-N 2 1 240.307 0.484 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000524652615 388370266 /nfs/dbraw/zinc/37/02/66/388370266.db2.gz VUCZCEOZUWWSCK-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000524652615 388370269 /nfs/dbraw/zinc/37/02/69/388370269.db2.gz VUCZCEOZUWWSCK-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000524652617 388370333 /nfs/dbraw/zinc/37/03/33/388370333.db2.gz VUCZCEOZUWWSCK-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000524652617 388370335 /nfs/dbraw/zinc/37/03/35/388370335.db2.gz VUCZCEOZUWWSCK-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CN(C)c1cc(NC(=O)COCC[NH3+])cc[nH+]1 ZINC000646512712 388373652 /nfs/dbraw/zinc/37/36/52/388373652.db2.gz RQCBEMVFUFQVRN-UHFFFAOYSA-N 2 1 238.291 0.061 20 0 BCADMP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000236107054 388378426 /nfs/dbraw/zinc/37/84/26/388378426.db2.gz FJKVTLMZTHRESH-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000236107054 388378428 /nfs/dbraw/zinc/37/84/28/388378428.db2.gz FJKVTLMZTHRESH-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000236860208 388384765 /nfs/dbraw/zinc/38/47/65/388384765.db2.gz FQAZLSBSZDXSES-NSHDSACASA-N 2 1 229.368 0.688 20 0 BCADMP CC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000236855833 388385146 /nfs/dbraw/zinc/38/51/46/388385146.db2.gz PKHVMDWRGNAEPH-UHFFFAOYSA-N 2 1 229.368 0.818 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237235578 388391650 /nfs/dbraw/zinc/39/16/50/388391650.db2.gz VJWREKLGQPOVKD-LBPRGKRZSA-N 2 1 249.358 0.843 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646594462 388391713 /nfs/dbraw/zinc/39/17/13/388391713.db2.gz JWEFAZPZMAACBI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H](CNC(=O)CC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401093 388393763 /nfs/dbraw/zinc/39/37/63/388393763.db2.gz XGTARNGSBHWAEV-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000237528855 388395479 /nfs/dbraw/zinc/39/54/79/388395479.db2.gz RVEFRBQVHMUWCM-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP COC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551807 388456790 /nfs/dbraw/zinc/45/67/90/388456790.db2.gz GELJUDBGEAYUOL-GARJFASQSA-N 2 1 226.320 0.479 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336659940 388460708 /nfs/dbraw/zinc/46/07/08/388460708.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336659940 388460709 /nfs/dbraw/zinc/46/07/09/388460709.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336659940 388460711 /nfs/dbraw/zinc/46/07/11/388460711.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000193823246 388465805 /nfs/dbraw/zinc/46/58/05/388465805.db2.gz WYNNNKUKWBHNCN-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336726947 388470357 /nfs/dbraw/zinc/47/03/57/388470357.db2.gz VQFGYHMYIZIXOL-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336726947 388470359 /nfs/dbraw/zinc/47/03/59/388470359.db2.gz VQFGYHMYIZIXOL-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000573164746 388427921 /nfs/dbraw/zinc/42/79/21/388427921.db2.gz XBQXINRRESWEGQ-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000034754752 388482029 /nfs/dbraw/zinc/48/20/29/388482029.db2.gz KLHMAELHTCGRPJ-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000340357315 388489527 /nfs/dbraw/zinc/48/95/27/388489527.db2.gz DDNSAKBUDQZHQG-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000340357315 388489530 /nfs/dbraw/zinc/48/95/30/388489530.db2.gz DDNSAKBUDQZHQG-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC[N@H+]1C ZINC000648926645 388502717 /nfs/dbraw/zinc/50/27/17/388502717.db2.gz LAFQAHRBHUTVNF-GHMZBOCLSA-N 2 1 241.379 0.783 20 0 BCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346845709 388520404 /nfs/dbraw/zinc/52/04/04/388520404.db2.gz KWQRPQRBSMQPIV-ZMLRMANQSA-N 2 1 235.335 0.374 20 0 BCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346845709 388520406 /nfs/dbraw/zinc/52/04/06/388520406.db2.gz KWQRPQRBSMQPIV-ZMLRMANQSA-N 2 1 235.335 0.374 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CC)CCOC1 ZINC000378853562 388522316 /nfs/dbraw/zinc/52/23/16/388522316.db2.gz WXTURGVIWPLNCJ-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CC)CCOC1 ZINC000378853562 388522319 /nfs/dbraw/zinc/52/23/19/388522319.db2.gz WXTURGVIWPLNCJ-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868143 388522653 /nfs/dbraw/zinc/52/26/53/388522653.db2.gz UGPGFXZIKBXYCU-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868143 388522655 /nfs/dbraw/zinc/52/26/55/388522655.db2.gz UGPGFXZIKBXYCU-IJLUTSLNSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000564345786 388527779 /nfs/dbraw/zinc/52/77/79/388527779.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000564345786 388527783 /nfs/dbraw/zinc/52/77/83/388527783.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000564345786 388527786 /nfs/dbraw/zinc/52/77/86/388527786.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000564345809 388527919 /nfs/dbraw/zinc/52/79/19/388527919.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000564345809 388527920 /nfs/dbraw/zinc/52/79/20/388527920.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000564345809 388527923 /nfs/dbraw/zinc/52/79/23/388527923.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000245969862 388612196 /nfs/dbraw/zinc/61/21/96/388612196.db2.gz NVFUAVBVSMXLGC-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000517580723 388554773 /nfs/dbraw/zinc/55/47/73/388554773.db2.gz HPZXOAJXZDUXTG-JGVFFNPUSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368611733 388569754 /nfs/dbraw/zinc/56/97/54/388569754.db2.gz DSROZCGHSRTCBS-WRWGMCAJSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810165 388573400 /nfs/dbraw/zinc/57/34/00/388573400.db2.gz MBDZZULCUKOODP-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578003 /nfs/dbraw/zinc/57/80/03/388578003.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578004 /nfs/dbraw/zinc/57/80/04/388578004.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578005 /nfs/dbraw/zinc/57/80/05/388578005.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301607 388584234 /nfs/dbraw/zinc/58/42/34/388584234.db2.gz GLJLIMIQVDAGPV-FHUSYTEZSA-N 2 1 249.358 0.195 20 0 BCADMP COC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248198535 388675203 /nfs/dbraw/zinc/67/52/03/388675203.db2.gz XWAUDGMAQPQILP-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP COC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248198536 388675647 /nfs/dbraw/zinc/67/56/47/388675647.db2.gz XWAUDGMAQPQILP-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H](CO)[NH+](C)CCCC[N@H+](C)[C@H](C)CO ZINC000551419161 388629228 /nfs/dbraw/zinc/62/92/28/388629228.db2.gz SPMQXJOMXGEJJM-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000328470467 388643618 /nfs/dbraw/zinc/64/36/18/388643618.db2.gz ZLLYANTYAMAKSZ-VXGBXAGGSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000328470467 388643620 /nfs/dbraw/zinc/64/36/20/388643620.db2.gz ZLLYANTYAMAKSZ-VXGBXAGGSA-N 2 1 242.363 0.599 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223654142 388656213 /nfs/dbraw/zinc/65/62/13/388656213.db2.gz QCTKLCXRMOBWIJ-AVGNSLFASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696475 388658481 /nfs/dbraw/zinc/65/84/81/388658481.db2.gz AMEHLEPIADMURA-GMTAPVOTSA-N 2 1 241.379 0.959 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803352 388758063 /nfs/dbraw/zinc/75/80/63/388758063.db2.gz DMBJQQZIYCDRBZ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000649000259 388690333 /nfs/dbraw/zinc/69/03/33/388690333.db2.gz SAYSILPPFKJQPQ-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000649000259 388690335 /nfs/dbraw/zinc/69/03/35/388690335.db2.gz SAYSILPPFKJQPQ-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[NH+](C)CCCCC(=O)NCC[N@@H+](C)C1CC1 ZINC000552362568 388697363 /nfs/dbraw/zinc/69/73/63/388697363.db2.gz CCSNSIBCVIXORF-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249084257 388707684 /nfs/dbraw/zinc/70/76/84/388707684.db2.gz BFEGUPIWRHQDDT-DCAQKATOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249084257 388707687 /nfs/dbraw/zinc/70/76/87/388707687.db2.gz BFEGUPIWRHQDDT-DCAQKATOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249084257 388707689 /nfs/dbraw/zinc/70/76/89/388707689.db2.gz BFEGUPIWRHQDDT-DCAQKATOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249084257 388707692 /nfs/dbraw/zinc/70/76/92/388707692.db2.gz BFEGUPIWRHQDDT-DCAQKATOSA-N 2 1 200.326 0.782 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC000522184205 388716015 /nfs/dbraw/zinc/71/60/15/388716015.db2.gz UCLOCMBZRJAWMB-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000522184205 388716020 /nfs/dbraw/zinc/71/60/20/388716020.db2.gz UCLOCMBZRJAWMB-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000522184205 388716022 /nfs/dbraw/zinc/71/60/22/388716022.db2.gz UCLOCMBZRJAWMB-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226398424 388718566 /nfs/dbraw/zinc/71/85/66/388718566.db2.gz PVPCPXNTSMCPCM-MRVPVSSYSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000540022476 388793256 /nfs/dbraw/zinc/79/32/56/388793256.db2.gz PJNRKYCVCVNKRH-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000553256730 388758833 /nfs/dbraw/zinc/75/88/33/388758833.db2.gz LDZHIJXIYRJTPB-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)C(=O)C(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000128478753 388762818 /nfs/dbraw/zinc/76/28/18/388762818.db2.gz YDRSMCYTSBJVNH-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CN(C)C(=O)C(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000128478753 388762824 /nfs/dbraw/zinc/76/28/24/388762824.db2.gz YDRSMCYTSBJVNH-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000553794142 388789684 /nfs/dbraw/zinc/78/96/84/388789684.db2.gz FYNFAMBDNZTDSR-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC000554544116 388820979 /nfs/dbraw/zinc/82/09/79/388820979.db2.gz ILHVMPBCCYASJX-UHFFFAOYSA-N 2 1 238.335 0.419 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000564826531 388891892 /nfs/dbraw/zinc/89/18/92/388891892.db2.gz WJSMWTVIFCZLJR-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855798 388893841 /nfs/dbraw/zinc/89/38/41/388893841.db2.gz FASMXVULPJBQAX-ZYHUDNBSSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855798 388893842 /nfs/dbraw/zinc/89/38/42/388893842.db2.gz FASMXVULPJBQAX-ZYHUDNBSSA-N 2 1 224.348 0.831 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000564917893 388898147 /nfs/dbraw/zinc/89/81/47/388898147.db2.gz CHHDGIBLUYXFIU-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP COC(=O)CCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000564989887 388906953 /nfs/dbraw/zinc/90/69/53/388906953.db2.gz ZGRFUAIIHKNWRQ-NSHDSACASA-N 2 1 214.309 0.657 20 0 BCADMP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000262160932 388907361 /nfs/dbraw/zinc/90/73/61/388907361.db2.gz VBQKYYZICIBDFB-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918412 /nfs/dbraw/zinc/91/84/12/388918412.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918420 /nfs/dbraw/zinc/91/84/20/388918420.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918430 /nfs/dbraw/zinc/91/84/30/388918430.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918416 /nfs/dbraw/zinc/91/84/16/388918416.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918424 /nfs/dbraw/zinc/91/84/24/388918424.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918428 /nfs/dbraw/zinc/91/84/28/388918428.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918434 /nfs/dbraw/zinc/91/84/34/388918434.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308785 388934563 /nfs/dbraw/zinc/93/45/63/388934563.db2.gz DPHIMRIEVPMNTD-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000564971291 388903973 /nfs/dbraw/zinc/90/39/73/388903973.db2.gz VFXDAVDKGJILRD-NSHDSACASA-N 2 1 208.309 0.509 20 0 BCADMP C[NH2+][C@H]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000564988102 388904687 /nfs/dbraw/zinc/90/46/87/388904687.db2.gz IAANUPWGRJYPJD-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+][C@H]1CCCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000564988102 388904691 /nfs/dbraw/zinc/90/46/91/388904691.db2.gz IAANUPWGRJYPJD-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCCCO)C1CC1 ZINC000565606751 388958324 /nfs/dbraw/zinc/95/83/24/388958324.db2.gz IQRVJPPTNIGYPM-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCCCO)C1CC1 ZINC000565606751 388958330 /nfs/dbraw/zinc/95/83/30/388958330.db2.gz IQRVJPPTNIGYPM-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCCCO)C1CC1 ZINC000565606751 388958320 /nfs/dbraw/zinc/95/83/20/388958320.db2.gz IQRVJPPTNIGYPM-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CCCCO)C1CC1 ZINC000565606751 388958326 /nfs/dbraw/zinc/95/83/26/388958326.db2.gz IQRVJPPTNIGYPM-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CCOC[C@H](O)CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565489530 388949086 /nfs/dbraw/zinc/94/90/86/388949086.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CCOC[C@H](O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565489530 388949084 /nfs/dbraw/zinc/94/90/84/388949084.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000565480205 388949142 /nfs/dbraw/zinc/94/91/42/388949142.db2.gz BGSDRZOCRNZMBA-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000565538333 388952563 /nfs/dbraw/zinc/95/25/63/388952563.db2.gz TXYVNOYPNMTFMX-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000566091319 388987436 /nfs/dbraw/zinc/98/74/36/388987436.db2.gz XFFYOTIXNJLCIJ-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]([NH2+]CCCN1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400511173 533382758 /nfs/dbraw/zinc/38/27/58/533382758.db2.gz FLXCCVAVLKCWPF-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400511174 533383564 /nfs/dbraw/zinc/38/35/64/533383564.db2.gz FLXCCVAVLKCWPF-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343606398 133695159 /nfs/dbraw/zinc/69/51/59/133695159.db2.gz UIECGERQSNRXLS-HRDYMLBCSA-N 2 1 247.289 0.179 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028957 134057942 /nfs/dbraw/zinc/05/79/42/134057942.db2.gz BKVYPCPCHMLVPT-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028957 134057943 /nfs/dbraw/zinc/05/79/43/134057943.db2.gz BKVYPCPCHMLVPT-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000336212042 134134786 /nfs/dbraw/zinc/13/47/86/134134786.db2.gz CYZUUWQNWXOCQV-RYUDHWBXSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000336212122 134135332 /nfs/dbraw/zinc/13/53/32/134135332.db2.gz IEBXDEYZGTYLFW-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000336213116 134135594 /nfs/dbraw/zinc/13/55/94/134135594.db2.gz CVVVXOIPVGCNDZ-VHSXEESVSA-N 2 1 237.347 0.609 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213351 134135714 /nfs/dbraw/zinc/13/57/14/134135714.db2.gz NRHZXORENDBSKJ-KOLCDFICSA-N 2 1 237.347 0.467 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC ZINC000358939839 134193159 /nfs/dbraw/zinc/19/31/59/134193159.db2.gz UQHAEWXXHGBWRA-SNVBAGLBSA-N 2 1 215.341 0.442 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000168927743 134248627 /nfs/dbraw/zinc/24/86/27/134248627.db2.gz IYHHZVCEUGEVAL-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000171480098 134258659 /nfs/dbraw/zinc/25/86/59/134258659.db2.gz CNZZHMJAYBPSPJ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000171480098 134258660 /nfs/dbraw/zinc/25/86/60/134258660.db2.gz CNZZHMJAYBPSPJ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000219864334 134292428 /nfs/dbraw/zinc/29/24/28/134292428.db2.gz NHBJQKOLQYMOQP-SECBINFHSA-N 2 1 223.324 0.374 20 0 BCADMP O=C([C@@H]1CC[NH2+]C1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747921 134310932 /nfs/dbraw/zinc/31/09/32/134310932.db2.gz RNXKOIUCMDXFSS-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])[C@H](C)C1 ZINC000178814225 134315768 /nfs/dbraw/zinc/31/57/68/134315768.db2.gz VXAYLOZXHBEMTR-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)[C@H](C)C1 ZINC000178814054 134315791 /nfs/dbraw/zinc/31/57/91/134315791.db2.gz JECQIJLBTFMYMS-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])C[N@H+]1C1CC1 ZINC000178867505 134315975 /nfs/dbraw/zinc/31/59/75/134315975.db2.gz KDNRQSQPUVZHGU-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418977 134332214 /nfs/dbraw/zinc/33/22/14/134332214.db2.gz VCUGZOOXABFCSJ-XQQFMLRXSA-N 2 1 240.347 0.354 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227075 134345227 /nfs/dbraw/zinc/34/52/27/134345227.db2.gz VHPJFKUYPFOHGJ-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227075 134345228 /nfs/dbraw/zinc/34/52/28/134345228.db2.gz VHPJFKUYPFOHGJ-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082706 134358461 /nfs/dbraw/zinc/35/84/61/134358461.db2.gz ZFUNWELBFSVSTP-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226873779 134371426 /nfs/dbraw/zinc/37/14/26/134371426.db2.gz DCIJECMRBAGGJE-XWLWVQCSSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226873779 134371427 /nfs/dbraw/zinc/37/14/27/134371427.db2.gz DCIJECMRBAGGJE-XWLWVQCSSA-N 2 1 200.326 0.828 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073145 134374050 /nfs/dbraw/zinc/37/40/50/134374050.db2.gz NEOKZEFTKGMEJL-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073145 134374051 /nfs/dbraw/zinc/37/40/51/134374051.db2.gz NEOKZEFTKGMEJL-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000227342771 134378330 /nfs/dbraw/zinc/37/83/30/134378330.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000227342771 134378331 /nfs/dbraw/zinc/37/83/31/134378331.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000227342771 134378332 /nfs/dbraw/zinc/37/83/32/134378332.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249848891 135046766 /nfs/dbraw/zinc/04/67/66/135046766.db2.gz IAZHUFAFLOFHEJ-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250357638 135052340 /nfs/dbraw/zinc/05/23/40/135052340.db2.gz BLCJVGDLLZILSX-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP C[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358572 135053112 /nfs/dbraw/zinc/05/31/12/135053112.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358572 135053114 /nfs/dbraw/zinc/05/31/14/135053114.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358572 135053116 /nfs/dbraw/zinc/05/31/16/135053116.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250357639 135053158 /nfs/dbraw/zinc/05/31/58/135053158.db2.gz BLCJVGDLLZILSX-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250392109 135053606 /nfs/dbraw/zinc/05/36/06/135053606.db2.gz YFKAYFBHZIUWDY-NWDGAFQWSA-N 2 1 241.379 0.675 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251041622 135061893 /nfs/dbraw/zinc/06/18/93/135061893.db2.gz LLMDEEHJTSSGNA-YFKTTZPYSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N(C)C ZINC000251026802 135061947 /nfs/dbraw/zinc/06/19/47/135061947.db2.gz HOFRLAXOHQZEIS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N(C)C ZINC000251026802 135061948 /nfs/dbraw/zinc/06/19/48/135061948.db2.gz HOFRLAXOHQZEIS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251041618 135062334 /nfs/dbraw/zinc/06/23/34/135062334.db2.gz LLMDEEHJTSSGNA-FIQHERPVSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251198569 135066362 /nfs/dbraw/zinc/06/63/62/135066362.db2.gz KFNZBTPDCRCACF-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251704137 135074776 /nfs/dbraw/zinc/07/47/76/135074776.db2.gz JASUVJIQZNIHFT-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2CCCNC2=O)CC[N@H+]1C ZINC000252165921 135085680 /nfs/dbraw/zinc/08/56/80/135085680.db2.gz QLWSMQFVIVBHBR-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C ZINC000252165921 135085683 /nfs/dbraw/zinc/08/56/83/135085683.db2.gz QLWSMQFVIVBHBR-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2)CC[N@@H+]1C ZINC000252196510 135086760 /nfs/dbraw/zinc/08/67/60/135086760.db2.gz VPIYXIUFJZTWPE-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2)CC[N@H+]1C ZINC000252196510 135086761 /nfs/dbraw/zinc/08/67/61/135086761.db2.gz VPIYXIUFJZTWPE-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252651588 135093262 /nfs/dbraw/zinc/09/32/62/135093262.db2.gz RYJLOFNCVMQKGF-QJPTWQEYSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252639466 135093332 /nfs/dbraw/zinc/09/33/32/135093332.db2.gz JXKAFVKRFKGZIE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252660867 135094307 /nfs/dbraw/zinc/09/43/07/135094307.db2.gz BQUURSZIJJYVRS-FIQHERPVSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252686202 135096798 /nfs/dbraw/zinc/09/67/98/135096798.db2.gz JHOWHZJEFBPWOB-RVMXOQNASA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252686202 135096800 /nfs/dbraw/zinc/09/68/00/135096800.db2.gz JHOWHZJEFBPWOB-RVMXOQNASA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252686201 135096803 /nfs/dbraw/zinc/09/68/03/135096803.db2.gz JHOWHZJEFBPWOB-RNJOBUHISA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252686201 135096805 /nfs/dbraw/zinc/09/68/05/135096805.db2.gz JHOWHZJEFBPWOB-RNJOBUHISA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000252709083 135098056 /nfs/dbraw/zinc/09/80/56/135098056.db2.gz BYAJVTYHQJETNV-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710941 135099581 /nfs/dbraw/zinc/09/95/81/135099581.db2.gz IBTPNMIELGOKPP-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000252715022 135101893 /nfs/dbraw/zinc/10/18/93/135101893.db2.gz UIQRIJGOWMEQOL-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252728277 135102300 /nfs/dbraw/zinc/10/23/00/135102300.db2.gz ARVFXOWXPPKYIX-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086930518 135102356 /nfs/dbraw/zinc/10/23/56/135102356.db2.gz OWWCSQBRLBTKBL-HBNTYKKESA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252761133 135107306 /nfs/dbraw/zinc/10/73/06/135107306.db2.gz GNHCSDNKAAYFSZ-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252761133 135107307 /nfs/dbraw/zinc/10/73/07/135107307.db2.gz GNHCSDNKAAYFSZ-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252761136 135107391 /nfs/dbraw/zinc/10/73/91/135107391.db2.gz GNHCSDNKAAYFSZ-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252761136 135107393 /nfs/dbraw/zinc/10/73/93/135107393.db2.gz GNHCSDNKAAYFSZ-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253158444 135122778 /nfs/dbraw/zinc/12/27/78/135122778.db2.gz RAEMDBDZAURNMP-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000253158444 135122779 /nfs/dbraw/zinc/12/27/79/135122779.db2.gz RAEMDBDZAURNMP-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)O ZINC000253182683 135123128 /nfs/dbraw/zinc/12/31/28/135123128.db2.gz GAHCYEJXHNQUQS-NXEZZACHSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)O ZINC000253182684 135123157 /nfs/dbraw/zinc/12/31/57/135123157.db2.gz GAHCYEJXHNQUQS-VHSXEESVSA-N 2 1 200.326 0.687 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253194572 135123905 /nfs/dbraw/zinc/12/39/05/135123905.db2.gz QHEVVPLKUDQDTG-WDEREUQCSA-N 2 1 228.336 0.856 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657956 135132765 /nfs/dbraw/zinc/13/27/65/135132765.db2.gz SKMCYAZBDLNUEX-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657951 135132819 /nfs/dbraw/zinc/13/28/19/135132819.db2.gz SKMCYAZBDLNUEX-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416252 135133000 /nfs/dbraw/zinc/13/30/00/135133000.db2.gz IZQHUBGGEJFXMT-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)CC(C)(C)[NH3+] ZINC000258701930 135133581 /nfs/dbraw/zinc/13/35/81/135133581.db2.gz CDTLEIAVWXBOJF-LLVKDONJSA-N 2 1 213.369 0.997 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(=O)N1C ZINC000257792578 135141545 /nfs/dbraw/zinc/14/15/45/135141545.db2.gz QJACVMIUDRGIID-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C(=O)N(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257768614 135141926 /nfs/dbraw/zinc/14/19/26/135141926.db2.gz BDGJVWFUEDZYHS-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261545705 135150387 /nfs/dbraw/zinc/15/03/87/135150387.db2.gz KERXZRKXILKGAW-PSASIEDQSA-N 2 1 208.309 0.887 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000261530958 135158939 /nfs/dbraw/zinc/15/89/39/135158939.db2.gz DQVCAQJQDKLCRB-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000261530958 135158940 /nfs/dbraw/zinc/15/89/40/135158940.db2.gz DQVCAQJQDKLCRB-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537942 135174280 /nfs/dbraw/zinc/17/42/80/135174280.db2.gz WUZKQMVGIWWQBO-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261538576 135176105 /nfs/dbraw/zinc/17/61/05/135176105.db2.gz YPZASNNSXXQWSF-ZJUUUORDSA-N 2 1 200.326 0.959 20 0 BCADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261539793 135178982 /nfs/dbraw/zinc/17/89/82/135178982.db2.gz DDTZQKOGGKUYAH-NEPJUHHUSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@]1(C[N@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541097 135180614 /nfs/dbraw/zinc/18/06/14/135180614.db2.gz FNCPZKSOUQIKRX-QWRGUYRKSA-N 2 1 210.321 0.443 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+]1C ZINC000261541920 135181660 /nfs/dbraw/zinc/18/16/60/135181660.db2.gz MOMQOJJWXBHRNB-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+]1C ZINC000261541920 135181661 /nfs/dbraw/zinc/18/16/61/135181661.db2.gz MOMQOJJWXBHRNB-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+]1C ZINC000261541921 135181807 /nfs/dbraw/zinc/18/18/07/135181807.db2.gz MOMQOJJWXBHRNB-JHJVBQTASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+]1C ZINC000261541921 135181809 /nfs/dbraw/zinc/18/18/09/135181809.db2.gz MOMQOJJWXBHRNB-JHJVBQTASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261543877 135184929 /nfs/dbraw/zinc/18/49/29/135184929.db2.gz WLGHSQBGXLXNMT-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261543877 135184930 /nfs/dbraw/zinc/18/49/30/135184930.db2.gz WLGHSQBGXLXNMT-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000261544483 135185105 /nfs/dbraw/zinc/18/51/05/135185105.db2.gz YRGDUHRTSZKUQO-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NC1CC1 ZINC000261544984 135186048 /nfs/dbraw/zinc/18/60/48/135186048.db2.gz FLQRERCPHYPXNG-UHFFFAOYSA-N 2 1 237.347 0.341 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000261549454 135188177 /nfs/dbraw/zinc/18/81/77/135188177.db2.gz OOUKLBNXNJCQHR-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC1(C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551154 135190412 /nfs/dbraw/zinc/19/04/12/135190412.db2.gz QFIANAOPNFPWSO-ZYHUDNBSSA-N 2 1 212.337 0.689 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261556706 135196867 /nfs/dbraw/zinc/19/68/67/135196867.db2.gz QVXQLNDCHOXNAA-AAEUAGOBSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261556706 135196868 /nfs/dbraw/zinc/19/68/68/135196868.db2.gz QVXQLNDCHOXNAA-AAEUAGOBSA-N 2 1 241.379 0.818 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261556704 135197215 /nfs/dbraw/zinc/19/72/15/135197215.db2.gz QVWVGPWBARJMAJ-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560374 135201537 /nfs/dbraw/zinc/20/15/37/135201537.db2.gz ZULZKWFFQGOQOA-SDDRHHMPSA-N 2 1 212.337 0.689 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561179 135201783 /nfs/dbraw/zinc/20/17/83/135201783.db2.gz AKWYJFLOKNJHKW-RYUDHWBXSA-N 2 1 228.336 0.191 20 0 BCADMP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000261587031 135228582 /nfs/dbraw/zinc/22/85/82/135228582.db2.gz ROIRNQGLVYZCBK-DTWKUNHWSA-N 2 1 214.309 0.607 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000261587031 135228583 /nfs/dbraw/zinc/22/85/83/135228583.db2.gz ROIRNQGLVYZCBK-DTWKUNHWSA-N 2 1 214.309 0.607 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261588867 135229154 /nfs/dbraw/zinc/22/91/54/135229154.db2.gz SRPVUFAECBQFQJ-WDEREUQCSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261588867 135229155 /nfs/dbraw/zinc/22/91/55/135229155.db2.gz SRPVUFAECBQFQJ-WDEREUQCSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261588864 135229645 /nfs/dbraw/zinc/22/96/45/135229645.db2.gz SRPVUFAECBQFQJ-GHMZBOCLSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261588864 135229646 /nfs/dbraw/zinc/22/96/46/135229646.db2.gz SRPVUFAECBQFQJ-GHMZBOCLSA-N 3 1 215.341 0.163 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261594966 135235253 /nfs/dbraw/zinc/23/52/53/135235253.db2.gz XWKAYKPPLMMOSQ-GARJFASQSA-N 3 1 211.353 0.783 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261594966 135235255 /nfs/dbraw/zinc/23/52/55/135235255.db2.gz XWKAYKPPLMMOSQ-GARJFASQSA-N 3 1 211.353 0.783 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261597528 135236902 /nfs/dbraw/zinc/23/69/02/135236902.db2.gz ZEMRZGKWEQUHJS-WDEREUQCSA-N 2 1 223.324 0.337 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547165 135240470 /nfs/dbraw/zinc/24/04/70/135240470.db2.gz LYOZCIQPKAIBEK-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261650001 135242621 /nfs/dbraw/zinc/24/26/21/135242621.db2.gz FJROVMJVEZYKEZ-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641473 135242923 /nfs/dbraw/zinc/24/29/23/135242923.db2.gz GJXNVXFLCHEJFT-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693634 135245704 /nfs/dbraw/zinc/24/57/04/135245704.db2.gz BPQSFNSFNGIRRA-GRYCIOLGSA-N 2 1 212.337 0.546 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716680 135247344 /nfs/dbraw/zinc/24/73/44/135247344.db2.gz FFKNHJZTGJLLBK-STQMWFEESA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@]1(C)C[N@@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000261749157 135249688 /nfs/dbraw/zinc/24/96/88/135249688.db2.gz CALNACDMDFHTTQ-BXKDBHETSA-N 2 1 228.336 0.855 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751545 135249864 /nfs/dbraw/zinc/24/98/64/135249864.db2.gz CGINDCVJXNTSAR-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751545 135249865 /nfs/dbraw/zinc/24/98/65/135249865.db2.gz CGINDCVJXNTSAR-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751547 135249998 /nfs/dbraw/zinc/24/99/98/135249998.db2.gz CGINDCVJXNTSAR-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751547 135249999 /nfs/dbraw/zinc/24/99/99/135249999.db2.gz CGINDCVJXNTSAR-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP O=C1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)CN1 ZINC000261766554 135251478 /nfs/dbraw/zinc/25/14/78/135251478.db2.gz DIXGOSRPBNQPLK-ZDUSSCGKSA-N 2 1 237.347 0.198 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261769098 135251818 /nfs/dbraw/zinc/25/18/18/135251818.db2.gz MKYWZZXTEUKWSW-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261769098 135251819 /nfs/dbraw/zinc/25/18/19/135251819.db2.gz MKYWZZXTEUKWSW-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261825094 135255800 /nfs/dbraw/zinc/25/58/00/135255800.db2.gz IOUGWVZZMCVUFG-YPMHNXCESA-N 2 1 242.363 0.722 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261830883 135255960 /nfs/dbraw/zinc/25/59/60/135255960.db2.gz NDMSVVJZWIYGER-AXFHLTTASA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261826348 135256114 /nfs/dbraw/zinc/25/61/14/135256114.db2.gz ISTJNHUCAZSBBE-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261900092 135260722 /nfs/dbraw/zinc/26/07/22/135260722.db2.gz YVSGLVHKLAHNFD-YWVKMMECSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000261899655 135260726 /nfs/dbraw/zinc/26/07/26/135260726.db2.gz UVENNRBTZBHIBE-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CC(=O)N[C@H](C)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261953004 135266179 /nfs/dbraw/zinc/26/61/79/135266179.db2.gz OEXVGMKPROMJFU-SNVBAGLBSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[N@@H+](CCN(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000261963960 135267142 /nfs/dbraw/zinc/26/71/42/135267142.db2.gz PQBHNRDQYMNDOJ-TXEJJXNPSA-N 2 1 243.395 0.765 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000261963960 135267143 /nfs/dbraw/zinc/26/71/43/135267143.db2.gz PQBHNRDQYMNDOJ-TXEJJXNPSA-N 2 1 243.395 0.765 20 0 BCADMP CC[N@H+](CCNC1=[NH+]CCCN1)C1CC1 ZINC000261967128 135267244 /nfs/dbraw/zinc/26/72/44/135267244.db2.gz LSQMOYPMPRUZEE-UHFFFAOYSA-N 2 1 210.325 0.410 20 0 BCADMP CC[N@@H+](CCNC1=[NH+]CCCN1)C1CC1 ZINC000261967128 135267245 /nfs/dbraw/zinc/26/72/45/135267245.db2.gz LSQMOYPMPRUZEE-UHFFFAOYSA-N 2 1 210.325 0.410 20 0 BCADMP C[C@@]1(C[N@H+]2CCSC[C@H]2CCO)CC[NH2+]C1 ZINC000261986608 135269322 /nfs/dbraw/zinc/26/93/22/135269322.db2.gz JTNDUOPDFVIFNV-VXGBXAGGSA-N 2 1 244.404 0.786 20 0 BCADMP COCCO[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262012419 135272372 /nfs/dbraw/zinc/27/23/72/135272372.db2.gz MKDDZVKMQSRBKB-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262018217 135273047 /nfs/dbraw/zinc/27/30/47/135273047.db2.gz ACKNLJNAKHNLHF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CC1(C)CNC(=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000262051667 135275834 /nfs/dbraw/zinc/27/58/34/135275834.db2.gz ZRBLLFSBFBOCPM-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262225925 135286412 /nfs/dbraw/zinc/28/64/12/135286412.db2.gz NGKIASCYHIYZGD-LBPRGKRZSA-N 2 1 244.404 0.786 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000262335003 135293583 /nfs/dbraw/zinc/29/35/83/135293583.db2.gz HDQCGLWQPYEMKQ-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262338331 135294083 /nfs/dbraw/zinc/29/40/83/135294083.db2.gz HOMLMPPIGYMTLL-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)C1C[NH2+]C1 ZINC000262402435 135295608 /nfs/dbraw/zinc/29/56/08/135295608.db2.gz PPSVWQBAMHXXON-VIFPVBQESA-N 2 1 248.330 0.942 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000262451684 135300202 /nfs/dbraw/zinc/30/02/02/135300202.db2.gz WAGGJXMEOHBUOW-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262484048 135302006 /nfs/dbraw/zinc/30/20/06/135302006.db2.gz ZWKDAFUINGZCAS-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342745128 135310185 /nfs/dbraw/zinc/31/01/85/135310185.db2.gz UNTJIRDDQZZKPR-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342753323 135311954 /nfs/dbraw/zinc/31/19/54/135311954.db2.gz PQTOIRXSWJOPIO-ZDUSSCGKSA-N 2 1 241.379 0.834 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000262854534 135321597 /nfs/dbraw/zinc/32/15/97/135321597.db2.gz SSWLPCMDNLQDLT-GFCCVEGCSA-N 2 1 236.363 0.942 20 0 BCADMP [NH3+]CCCCCCC(=O)NCC(F)(F)C[NH3+] ZINC000263079184 135331257 /nfs/dbraw/zinc/33/12/57/135331257.db2.gz KXIPHYSSZXZHKP-UHFFFAOYSA-N 2 1 237.294 0.606 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263106943 135333764 /nfs/dbraw/zinc/33/37/64/135333764.db2.gz ZZAMWZZKGISPET-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293776 135344940 /nfs/dbraw/zinc/34/49/40/135344940.db2.gz MAJMXLGDRTYKQN-NWDGAFQWSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000334306567 135349359 /nfs/dbraw/zinc/34/93/59/135349359.db2.gz GZSYBTHCDHSGGM-LBPRGKRZSA-N 2 1 225.336 0.102 20 0 BCADMP CCC[N@@H+](CCO)CCN1CC[NH+](CC)CC1 ZINC000344124568 135745092 /nfs/dbraw/zinc/74/50/92/135745092.db2.gz GJTLRWCJIPTMTP-UHFFFAOYSA-N 2 1 243.395 0.328 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335029405 135868363 /nfs/dbraw/zinc/86/83/63/135868363.db2.gz KBZJHBRAPXRMTG-NWDGAFQWSA-N 2 1 223.364 0.812 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000347649759 136001286 /nfs/dbraw/zinc/00/12/86/136001286.db2.gz JCPVLBNJFQWNRU-NSHDSACASA-N 2 1 235.331 0.582 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000347649759 136001287 /nfs/dbraw/zinc/00/12/87/136001287.db2.gz JCPVLBNJFQWNRU-NSHDSACASA-N 2 1 235.331 0.582 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000347759251 136011895 /nfs/dbraw/zinc/01/18/95/136011895.db2.gz RVOCFQXGXPOKHB-CYBMUJFWSA-N 2 1 236.363 0.989 20 0 BCADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000335306107 136020630 /nfs/dbraw/zinc/02/06/30/136020630.db2.gz XJVLZSSJTJWORO-ZYHUDNBSSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC000335306107 136020631 /nfs/dbraw/zinc/02/06/31/136020631.db2.gz XJVLZSSJTJWORO-ZYHUDNBSSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC000335306107 136020632 /nfs/dbraw/zinc/02/06/32/136020632.db2.gz XJVLZSSJTJWORO-ZYHUDNBSSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000335306107 136020633 /nfs/dbraw/zinc/02/06/33/136020633.db2.gz XJVLZSSJTJWORO-ZYHUDNBSSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335308989 136028094 /nfs/dbraw/zinc/02/80/94/136028094.db2.gz RXHOMTNLHPLAMM-JQWIXIFHSA-N 3 1 211.353 0.798 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000348127395 136033100 /nfs/dbraw/zinc/03/31/00/136033100.db2.gz ROTITAOWESLKEQ-CYBMUJFWSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382285 136087877 /nfs/dbraw/zinc/08/78/77/136087877.db2.gz XKEAQAUTAUIYAS-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)C[NH3+] ZINC000335562681 136106511 /nfs/dbraw/zinc/10/65/11/136106511.db2.gz KNFHWIPQDVFQMY-WDEREUQCSA-N 2 1 227.352 0.380 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000335570785 136109281 /nfs/dbraw/zinc/10/92/81/136109281.db2.gz IFMVLEMKXORSFT-NWDGAFQWSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCOC3)C2)C1 ZINC000335570785 136109282 /nfs/dbraw/zinc/10/92/82/136109282.db2.gz IFMVLEMKXORSFT-NWDGAFQWSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000335570785 136109283 /nfs/dbraw/zinc/10/92/83/136109283.db2.gz IFMVLEMKXORSFT-NWDGAFQWSA-N 2 1 210.321 0.803 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570981 136109309 /nfs/dbraw/zinc/10/93/09/136109309.db2.gz WURPFRCLPMHICP-RYUDHWBXSA-N 3 1 225.380 0.964 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000335570784 136109318 /nfs/dbraw/zinc/10/93/18/136109318.db2.gz IFMVLEMKXORSFT-NEPJUHHUSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000335570784 136109319 /nfs/dbraw/zinc/10/93/19/136109319.db2.gz IFMVLEMKXORSFT-NEPJUHHUSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000335570784 136109320 /nfs/dbraw/zinc/10/93/20/136109320.db2.gz IFMVLEMKXORSFT-NEPJUHHUSA-N 2 1 210.321 0.803 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000335570786 136109527 /nfs/dbraw/zinc/10/95/27/136109527.db2.gz IFMVLEMKXORSFT-RYUDHWBXSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCOC3)C2)C1 ZINC000335570786 136109528 /nfs/dbraw/zinc/10/95/28/136109528.db2.gz IFMVLEMKXORSFT-RYUDHWBXSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000335570786 136109529 /nfs/dbraw/zinc/10/95/29/136109529.db2.gz IFMVLEMKXORSFT-RYUDHWBXSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH2+]CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165322787 397750890 /nfs/dbraw/zinc/75/08/90/397750890.db2.gz DEOYVNODXRSOBH-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CC1([NH3+])CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000381713744 397805293 /nfs/dbraw/zinc/80/52/93/397805293.db2.gz KRZXGTORCSDKRR-NSHDSACASA-N 3 1 211.353 0.799 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000257708816 397827412 /nfs/dbraw/zinc/82/74/12/397827412.db2.gz QFIMTYAEKMKSFF-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CCN1CCC([N@@H+](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000649546836 397937566 /nfs/dbraw/zinc/93/75/66/397937566.db2.gz BKPDTDRKNSOBOE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC(N(C)C[C@@H]2CCC(=O)N2)CC1 ZINC000649546836 397937570 /nfs/dbraw/zinc/93/75/70/397937570.db2.gz BKPDTDRKNSOBOE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000649546836 397937574 /nfs/dbraw/zinc/93/75/74/397937574.db2.gz BKPDTDRKNSOBOE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000649546836 397937578 /nfs/dbraw/zinc/93/75/78/397937578.db2.gz BKPDTDRKNSOBOE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000649547235 397938631 /nfs/dbraw/zinc/93/86/31/397938631.db2.gz OSUMAJUVCBMLAK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000649547235 397938634 /nfs/dbraw/zinc/93/86/34/397938634.db2.gz OSUMAJUVCBMLAK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547235 397938638 /nfs/dbraw/zinc/93/86/38/397938638.db2.gz OSUMAJUVCBMLAK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547235 397938644 /nfs/dbraw/zinc/93/86/44/397938644.db2.gz OSUMAJUVCBMLAK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CN(C)c1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000382417533 397947554 /nfs/dbraw/zinc/94/75/54/397947554.db2.gz HZEZTYBGSQKDFZ-VHSXEESVSA-N 2 1 235.335 0.646 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446361409 397947702 /nfs/dbraw/zinc/94/77/02/397947702.db2.gz BPYITOFTNAUMRN-TXEJJXNPSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418201694 397992045 /nfs/dbraw/zinc/99/20/45/397992045.db2.gz SEYKXMLGOPPCEY-QWRGUYRKSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953161 398009558 /nfs/dbraw/zinc/00/95/58/398009558.db2.gz FVGXRAPNDJIGBH-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637863274 398032346 /nfs/dbraw/zinc/03/23/46/398032346.db2.gz WTVXNZNRGMCOAE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637863275 398032462 /nfs/dbraw/zinc/03/24/62/398032462.db2.gz WTVXNZNRGMCOAE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000564731741 398039205 /nfs/dbraw/zinc/03/92/05/398039205.db2.gz HJYJNHBITJXNLN-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071701 398064919 /nfs/dbraw/zinc/06/49/19/398064919.db2.gz VKNDFBBUWWRYIL-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1C ZINC000649744837 398082939 /nfs/dbraw/zinc/08/29/39/398082939.db2.gz PDFOLRKXZQCZQN-NWDGAFQWSA-N 2 1 239.319 0.273 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000649744837 398082941 /nfs/dbraw/zinc/08/29/41/398082941.db2.gz PDFOLRKXZQCZQN-NWDGAFQWSA-N 2 1 239.319 0.273 20 0 BCADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCN(C)C1=O)C2 ZINC000116391127 398089724 /nfs/dbraw/zinc/08/97/24/398089724.db2.gz BGRQSJZIQHHKGG-MNOVXSKESA-N 2 1 248.330 0.327 20 0 BCADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000383992550 398054702 /nfs/dbraw/zinc/05/47/02/398054702.db2.gz UZUXNBUPIUIXIQ-GXSJLCMTSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000383992550 398054705 /nfs/dbraw/zinc/05/47/05/398054705.db2.gz UZUXNBUPIUIXIQ-GXSJLCMTSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000414923819 398099962 /nfs/dbraw/zinc/09/99/62/398099962.db2.gz IBYRHEADMFEGAQ-UMSGYPCISA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000414923817 398100021 /nfs/dbraw/zinc/10/00/21/398100021.db2.gz IBYRHEADMFEGAQ-LPWJVIDDSA-N 3 1 225.380 0.962 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000309202941 398113950 /nfs/dbraw/zinc/11/39/50/398113950.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000309202941 398113951 /nfs/dbraw/zinc/11/39/51/398113951.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000309202941 398113953 /nfs/dbraw/zinc/11/39/53/398113953.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000309202941 398113955 /nfs/dbraw/zinc/11/39/55/398113955.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000389711681 398127402 /nfs/dbraw/zinc/12/74/02/398127402.db2.gz WCHVBFPSEHPKJM-ZJUUUORDSA-N 2 1 235.335 0.374 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334953653 398122003 /nfs/dbraw/zinc/12/20/03/398122003.db2.gz SNSRZQIKVRHTDA-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC2 ZINC000236813506 167035116 /nfs/dbraw/zinc/03/51/16/167035116.db2.gz NKUZSVLYKJCLPC-TUAOUCFPSA-N 2 1 239.363 0.807 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476931 167054021 /nfs/dbraw/zinc/05/40/21/167054021.db2.gz AQOYOJAOCNYVEN-QJPTWQEYSA-N 2 1 239.363 0.570 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662275922 487528958 /nfs/dbraw/zinc/52/89/58/487528958.db2.gz FPBUJNBHJOQGSR-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP COCCOCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126708902 174352158 /nfs/dbraw/zinc/35/21/58/174352158.db2.gz ZIQWGGAGCZICJK-NSHDSACASA-N 2 1 216.325 0.319 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000086853328 487566739 /nfs/dbraw/zinc/56/67/39/487566739.db2.gz WJQNFPYQBHHQDK-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH+](C)C ZINC000674361799 487566913 /nfs/dbraw/zinc/56/69/13/487566913.db2.gz ZFJZVEIWYULLNR-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420003 487574544 /nfs/dbraw/zinc/57/45/44/487574544.db2.gz ODKBSQFBBOBMTR-QWRGUYRKSA-N 2 1 229.368 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420003 487574548 /nfs/dbraw/zinc/57/45/48/487574548.db2.gz ODKBSQFBBOBMTR-QWRGUYRKSA-N 2 1 229.368 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420005 487575510 /nfs/dbraw/zinc/57/55/10/487575510.db2.gz PXMXVSMIZIAYFH-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420005 487575514 /nfs/dbraw/zinc/57/55/14/487575514.db2.gz PXMXVSMIZIAYFH-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420006 487575544 /nfs/dbraw/zinc/57/55/44/487575544.db2.gz WITQTBJQNKQJJN-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420006 487575547 /nfs/dbraw/zinc/57/55/47/487575547.db2.gz WITQTBJQNKQJJN-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420046 487575582 /nfs/dbraw/zinc/57/55/82/487575582.db2.gz CDIGLYXNMPMPLH-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420046 487575586 /nfs/dbraw/zinc/57/55/86/487575586.db2.gz CDIGLYXNMPMPLH-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000157727018 487578515 /nfs/dbraw/zinc/57/85/15/487578515.db2.gz IEVOZWRWVGXTGM-MNOVXSKESA-N 2 1 237.347 0.611 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC(C)(C)[NH3+])C1 ZINC000082244830 487582117 /nfs/dbraw/zinc/58/21/17/487582117.db2.gz CVCWMEVNVGPPSF-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000393850317 487586734 /nfs/dbraw/zinc/58/67/34/487586734.db2.gz QYCQDJVJRQWUFC-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000393850317 487586737 /nfs/dbraw/zinc/58/67/37/487586737.db2.gz QYCQDJVJRQWUFC-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000393850317 487586742 /nfs/dbraw/zinc/58/67/42/487586742.db2.gz QYCQDJVJRQWUFC-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP CC1(C(N)=O)C[NH+](Cc2cnc3n2CCC3)C1 ZINC000668271363 487599683 /nfs/dbraw/zinc/59/96/83/487599683.db2.gz BAHBXPBFKCXLSW-UHFFFAOYSA-N 2 1 234.303 0.137 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCO ZINC000308990443 487604544 /nfs/dbraw/zinc/60/45/44/487604544.db2.gz IAASKMDXRKEUML-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCO ZINC000308990443 487604547 /nfs/dbraw/zinc/60/45/47/487604547.db2.gz IAASKMDXRKEUML-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCO ZINC000308990443 487604550 /nfs/dbraw/zinc/60/45/50/487604550.db2.gz IAASKMDXRKEUML-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCO ZINC000308990443 487604553 /nfs/dbraw/zinc/60/45/53/487604553.db2.gz IAASKMDXRKEUML-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000674690143 487606097 /nfs/dbraw/zinc/60/60/97/487606097.db2.gz UZLRFSMLJGRFLJ-OUAUKWLOSA-N 2 1 239.363 0.678 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662263836 409559772 /nfs/dbraw/zinc/55/97/72/409559772.db2.gz OUBKGUCVFQWMBJ-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266324 409563636 /nfs/dbraw/zinc/56/36/36/409563636.db2.gz LZKVBSZIELGXRV-SRVKXCTJSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243796 409531857 /nfs/dbraw/zinc/53/18/57/409531857.db2.gz KGKNFTAOHXSOAC-GRYCIOLGSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243796 409531862 /nfs/dbraw/zinc/53/18/62/409531862.db2.gz KGKNFTAOHXSOAC-GRYCIOLGSA-N 2 1 239.363 0.177 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270759 409572782 /nfs/dbraw/zinc/57/27/82/409572782.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 2 1 227.352 0.034 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270759 409572792 /nfs/dbraw/zinc/57/27/92/409572792.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 2 1 227.352 0.034 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272880 409577552 /nfs/dbraw/zinc/57/75/52/409577552.db2.gz JOEWLSQZEHOJOB-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272880 409577560 /nfs/dbraw/zinc/57/75/60/409577560.db2.gz JOEWLSQZEHOJOB-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662276409 409591674 /nfs/dbraw/zinc/59/16/74/409591674.db2.gz IKPNATXARAVSBI-WOPDTQHZSA-N 2 1 240.347 0.617 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000662280514 409599559 /nfs/dbraw/zinc/59/95/59/409599559.db2.gz FTVKAAYNXCBCIA-TUAOUCFPSA-N 2 1 239.363 0.524 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000662280514 409599567 /nfs/dbraw/zinc/59/95/67/409599567.db2.gz FTVKAAYNXCBCIA-TUAOUCFPSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662515531 409743979 /nfs/dbraw/zinc/74/39/79/409743979.db2.gz VUFJITSQAUBIQQ-AXFHLTTASA-N 2 1 225.336 0.147 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662537558 409748792 /nfs/dbraw/zinc/74/87/92/409748792.db2.gz CFVSNJIMLBDUCI-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662681591 409829352 /nfs/dbraw/zinc/82/93/52/409829352.db2.gz JFYVBDUTSQDVHI-DCAQKATOSA-N 2 1 225.336 0.182 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653115776 409830654 /nfs/dbraw/zinc/83/06/54/409830654.db2.gz ZNEOFFGQVPGGOX-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623441 409793998 /nfs/dbraw/zinc/79/39/98/409793998.db2.gz XWPWGSRFFRJJLX-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])C[C@H]1CCOC1 ZINC000308805246 409906098 /nfs/dbraw/zinc/90/60/98/409906098.db2.gz OIRONVBRAKKSRK-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP CC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215297961 409908537 /nfs/dbraw/zinc/90/85/37/409908537.db2.gz UDJJRWIBLOXJGR-AAEUAGOBSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000308638511 409895564 /nfs/dbraw/zinc/89/55/64/409895564.db2.gz WVNOFWNOSUJGQO-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]C1(CNC(=O)[C@H]2CSC[NH2+]2)CCCC1 ZINC000662863492 409957620 /nfs/dbraw/zinc/95/76/20/409957620.db2.gz RLDXAGPWXGOHFZ-MRVPVSSYSA-N 2 1 229.349 0.037 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835018 409945489 /nfs/dbraw/zinc/94/54/89/409945489.db2.gz KAYXFYLKSYZDIH-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835016 409947209 /nfs/dbraw/zinc/94/72/09/409947209.db2.gz KAYXFYLKSYZDIH-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839429 409948614 /nfs/dbraw/zinc/94/86/14/409948614.db2.gz QPRWLDURWSQYMO-IJLUTSLNSA-N 2 1 239.363 0.857 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662839124 409949833 /nfs/dbraw/zinc/94/98/33/409949833.db2.gz NHPJQLMRKCFWTQ-GFCCVEGCSA-N 2 1 236.319 0.758 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176265 410151511 /nfs/dbraw/zinc/15/15/11/410151511.db2.gz OFJPOWDJAHSGJI-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@H]([NH3+])CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000634809013 410111922 /nfs/dbraw/zinc/11/19/22/410111922.db2.gz IKGOPIZLBPFAKC-VIFPVBQESA-N 2 1 237.307 0.072 20 0 BCADMP CCO[C@@H]1CN(Cc2[nH]ncc2C)C[C@H]1C[NH3+] ZINC000650714242 410348115 /nfs/dbraw/zinc/34/81/15/410348115.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 1 238.335 0.514 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714654 410348711 /nfs/dbraw/zinc/34/87/11/410348711.db2.gz WTVMWMWIXYPZMX-IRCOFANPSA-N 2 1 212.337 0.938 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262680778 410289358 /nfs/dbraw/zinc/28/93/58/410289358.db2.gz WWWRYYREMVSOPO-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000650724833 410359588 /nfs/dbraw/zinc/35/95/88/410359588.db2.gz NDDPGACTUJRPSF-QJPTWQEYSA-N 2 1 212.337 0.831 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000650742626 410378317 /nfs/dbraw/zinc/37/83/17/410378317.db2.gz AIYVHAQDHMZJAR-DTVLGXAZSA-N 2 1 245.326 0.985 20 0 BCADMP N[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761503 410409468 /nfs/dbraw/zinc/40/94/68/410409468.db2.gz ANTZBQLEXNSYCF-VXGBXAGGSA-N 2 1 211.353 0.846 20 0 BCADMP N[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761500 410410177 /nfs/dbraw/zinc/41/01/77/410410177.db2.gz ANTZBQLEXNSYCF-NEPJUHHUSA-N 2 1 211.353 0.846 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000393747826 410757004 /nfs/dbraw/zinc/75/70/04/410757004.db2.gz OGTUBEIUCJMTIK-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000393747826 410757008 /nfs/dbraw/zinc/75/70/08/410757008.db2.gz OGTUBEIUCJMTIK-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP c1ncn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000394303697 410784326 /nfs/dbraw/zinc/78/43/26/410784326.db2.gz SYHZHBFXJBEZMA-QWHCGFSZSA-N 2 1 249.362 0.885 20 0 BCADMP CCc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000394468065 410800883 /nfs/dbraw/zinc/80/08/83/410800883.db2.gz ASTBGDWZMHCOAI-SFYZADRCSA-N 2 1 208.309 0.917 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665296009 410802056 /nfs/dbraw/zinc/80/20/56/410802056.db2.gz LOPVFVJKXHEIOW-SDDRHHMPSA-N 2 1 211.353 0.811 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000665297214 410814280 /nfs/dbraw/zinc/81/42/80/410814280.db2.gz BGIRCNATIUYEKC-NXEZZACHSA-N 2 1 225.340 0.599 20 0 BCADMP CC[NH+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC000297399927 169778314 /nfs/dbraw/zinc/77/83/14/169778314.db2.gz PDANIBCFCZVXCT-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000398951580 411000969 /nfs/dbraw/zinc/00/09/69/411000969.db2.gz DRIUKSLEHTWQRN-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[C@@H](C)[NH3+] ZINC000399692550 411059589 /nfs/dbraw/zinc/05/95/89/411059589.db2.gz YMKBNQUSGLNPRO-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000390497851 411063499 /nfs/dbraw/zinc/06/34/99/411063499.db2.gz RYTCOKSFUMJKPE-GFCCVEGCSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000390497851 411063501 /nfs/dbraw/zinc/06/35/01/411063501.db2.gz RYTCOKSFUMJKPE-GFCCVEGCSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)C(C)C ZINC000390497851 411063504 /nfs/dbraw/zinc/06/35/04/411063504.db2.gz RYTCOKSFUMJKPE-GFCCVEGCSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)C(C)C ZINC000390497851 411063507 /nfs/dbraw/zinc/06/35/07/411063507.db2.gz RYTCOKSFUMJKPE-GFCCVEGCSA-N 2 1 232.368 0.390 20 0 BCADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000399190049 411023094 /nfs/dbraw/zinc/02/30/94/411023094.db2.gz YHHPDRHUHREULX-WDEREUQCSA-N 2 1 237.347 0.339 20 0 BCADMP CCn1cc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000301044071 411129660 /nfs/dbraw/zinc/12/96/60/411129660.db2.gz MCVOAABEWVXIOT-UHFFFAOYSA-N 2 1 226.324 0.310 20 0 BCADMP Cc1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000044514326 411137318 /nfs/dbraw/zinc/13/73/18/411137318.db2.gz FMZZWDFERBZGDD-UHFFFAOYSA-N 2 1 210.281 0.549 20 0 BCADMP C[N@@H+](CC(=O)NCC[NH3+])CC(C)(C)C ZINC000045068391 411143939 /nfs/dbraw/zinc/14/39/39/411143939.db2.gz MRGKYVQATUCXIC-UHFFFAOYSA-N 2 1 201.314 0.039 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(CC)CO ZINC000653635653 411151730 /nfs/dbraw/zinc/15/17/30/411151730.db2.gz YBMKCIVMODACQG-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(CC)CO ZINC000653635653 411151733 /nfs/dbraw/zinc/15/17/33/411151733.db2.gz YBMKCIVMODACQG-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(CC)CO ZINC000653635653 411151737 /nfs/dbraw/zinc/15/17/37/411151737.db2.gz YBMKCIVMODACQG-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(CC)CO ZINC000653635653 411151741 /nfs/dbraw/zinc/15/17/41/411151741.db2.gz YBMKCIVMODACQG-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000651939392 411155359 /nfs/dbraw/zinc/15/53/59/411155359.db2.gz DRVICHOOIYLWGY-YFKTTZPYSA-N 2 1 237.347 0.467 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000069733718 411158168 /nfs/dbraw/zinc/15/81/68/411158168.db2.gz CJDCWEPOYNRMMX-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000400656614 411159429 /nfs/dbraw/zinc/15/94/29/411159429.db2.gz XLRIXNBSNOGQIY-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000400656614 411159431 /nfs/dbraw/zinc/15/94/31/411159431.db2.gz XLRIXNBSNOGQIY-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H](O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655949089 411161263 /nfs/dbraw/zinc/16/12/63/411161263.db2.gz MDZMOEMNMIFNIC-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655947285 411161347 /nfs/dbraw/zinc/16/13/47/411161347.db2.gz QRBWWDHPHYHLIN-CYBMUJFWSA-N 2 1 242.363 0.995 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000653678605 411170557 /nfs/dbraw/zinc/17/05/57/411170557.db2.gz SEJIBRGVXXPONE-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000653678605 411170562 /nfs/dbraw/zinc/17/05/62/411170562.db2.gz SEJIBRGVXXPONE-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000653678605 411170566 /nfs/dbraw/zinc/17/05/66/411170566.db2.gz SEJIBRGVXXPONE-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000653678605 411170570 /nfs/dbraw/zinc/17/05/70/411170570.db2.gz SEJIBRGVXXPONE-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH3+] ZINC000652217942 411172999 /nfs/dbraw/zinc/17/29/99/411172999.db2.gz PKXKPNLLXUZWMY-LLVKDONJSA-N 2 1 244.383 0.611 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1C ZINC000132954353 411177740 /nfs/dbraw/zinc/17/77/40/411177740.db2.gz NNQNOGPJOOQIFP-GMTAPVOTSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309597509 411179404 /nfs/dbraw/zinc/17/94/04/411179404.db2.gz VDCOLQXDOPJFHW-OUAUKWLOSA-N 2 1 225.336 0.182 20 0 BCADMP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000656193951 411199469 /nfs/dbraw/zinc/19/94/69/411199469.db2.gz ZWBLEXPAQYLSOY-VHSXEESVSA-N 2 1 235.335 0.014 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)[C@H]1CCC[NH2+]1 ZINC000656201877 411207324 /nfs/dbraw/zinc/20/73/24/411207324.db2.gz UBMDHEMSOPQDFW-GMTAPVOTSA-N 2 1 249.362 0.403 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000130392088 411247041 /nfs/dbraw/zinc/24/70/41/411247041.db2.gz ILQMUVYMCQHWCY-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+](CCC[NH3+])CCOCC(F)(F)F ZINC000049310694 411231240 /nfs/dbraw/zinc/23/12/40/411231240.db2.gz URZGJHRPDDDWPO-UHFFFAOYSA-N 2 1 214.231 0.846 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(CO)CC1 ZINC000310441662 411238391 /nfs/dbraw/zinc/23/83/91/411238391.db2.gz VXOPJMRGDDUIDQ-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@@H](C[NH3+])n1cc(C[NH+]2CCCCC2)nn1 ZINC000656457432 411266258 /nfs/dbraw/zinc/26/62/58/411266258.db2.gz ANTCEGAHZOGIBL-JTQLQIEISA-N 2 1 223.324 0.784 20 0 BCADMP C[NH+](C)CCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458772 411267413 /nfs/dbraw/zinc/26/74/13/411267413.db2.gz GNFSZYUPEQXJAB-UHFFFAOYSA-N 2 1 247.302 0.259 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000659636430 411271023 /nfs/dbraw/zinc/27/10/23/411271023.db2.gz LMVJIOCYHIXEHL-SNVBAGLBSA-N 2 1 240.351 0.155 20 0 BCADMP C[C@H](O)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716307 411271334 /nfs/dbraw/zinc/27/13/34/411271334.db2.gz ROOJJDVWDKJMFJ-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401668967 411276845 /nfs/dbraw/zinc/27/68/45/411276845.db2.gz JTMZOZVFVCWMQG-YNEHKIRRSA-N 3 1 248.374 0.940 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000401689426 411283912 /nfs/dbraw/zinc/28/39/12/411283912.db2.gz ZQHUBXRWWXJCSZ-NXEZZACHSA-N 2 1 209.293 0.730 20 0 BCADMP C[NH+](C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889731 411284884 /nfs/dbraw/zinc/28/48/84/411284884.db2.gz PFMINRXJKRWPFA-ZDUSSCGKSA-N 2 1 225.380 0.870 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889751 411285464 /nfs/dbraw/zinc/28/54/64/411285464.db2.gz FMSKDOGKSDVPFF-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP CC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776878 411286531 /nfs/dbraw/zinc/28/65/31/411286531.db2.gz MVZNYEZVSRKDLU-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000656540447 411294100 /nfs/dbraw/zinc/29/41/00/411294100.db2.gz JCXOTRQLBMEURL-NSHDSACASA-N 2 1 244.383 0.578 20 0 BCADMP CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000656540447 411294101 /nfs/dbraw/zinc/29/41/01/411294101.db2.gz JCXOTRQLBMEURL-NSHDSACASA-N 2 1 244.383 0.578 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCCOC1 ZINC000402695959 411308668 /nfs/dbraw/zinc/30/86/68/411308668.db2.gz NESPZRYNOYZASX-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CCCOC1 ZINC000402695959 411308671 /nfs/dbraw/zinc/30/86/71/411308671.db2.gz NESPZRYNOYZASX-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H]1CCCOC1 ZINC000402695959 411308673 /nfs/dbraw/zinc/30/86/73/411308673.db2.gz NESPZRYNOYZASX-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000402695959 411308676 /nfs/dbraw/zinc/30/86/76/411308676.db2.gz NESPZRYNOYZASX-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[NH2+][C@@H](C)c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440899 411258687 /nfs/dbraw/zinc/25/86/87/411258687.db2.gz PAZHYDHVANXXEC-QMMMGPOBSA-N 2 1 203.249 0.943 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/CO)[C@@H](C)C1 ZINC000658135614 411260986 /nfs/dbraw/zinc/26/09/86/411260986.db2.gz UHAWPVWOXSSODP-XMXMHJJKSA-N 2 1 212.337 0.855 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000659325540 411352319 /nfs/dbraw/zinc/35/23/19/411352319.db2.gz UUUWFAHKVKYFJB-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792172 411372858 /nfs/dbraw/zinc/37/28/58/411372858.db2.gz OWDUBPXHSPHORS-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])[C@H](CC)CO1 ZINC000403791899 411359985 /nfs/dbraw/zinc/35/99/85/411359985.db2.gz IQCQJDOTOHGTAF-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787587 411365942 /nfs/dbraw/zinc/36/59/42/411365942.db2.gz NXTLPRKJSIMVDP-STQMWFEESA-N 2 1 249.362 0.600 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000656790729 411370415 /nfs/dbraw/zinc/37/04/15/411370415.db2.gz LZYQGHGYXHKUKN-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000656790729 411370418 /nfs/dbraw/zinc/37/04/18/411370418.db2.gz LZYQGHGYXHKUKN-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](c1ccccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148826 411334768 /nfs/dbraw/zinc/33/47/68/411334768.db2.gz MTVSCYDYFXGYSA-ZDUSSCGKSA-N 2 1 248.374 0.980 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710569 411336320 /nfs/dbraw/zinc/33/63/20/411336320.db2.gz KAFOOKPBFRNRKS-ZJUUUORDSA-N 2 1 236.306 0.934 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000069839784 411372112 /nfs/dbraw/zinc/37/21/12/411372112.db2.gz AILKYRUDLVTWTG-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792171 411372505 /nfs/dbraw/zinc/37/25/05/411372505.db2.gz OWDUBPXHSPHORS-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH2+]Cc1cn(CCn2cc[nH+]c2C)nn1 ZINC000052576116 411375790 /nfs/dbraw/zinc/37/57/90/411375790.db2.gz DQORYIRDZVSCPU-UHFFFAOYSA-N 2 1 234.307 0.593 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000659508304 411424184 /nfs/dbraw/zinc/42/41/84/411424184.db2.gz UGAATOCTRPKHBA-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000122242478 411425154 /nfs/dbraw/zinc/42/51/54/411425154.db2.gz SYUOJAKGDKADJN-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000122242478 411425157 /nfs/dbraw/zinc/42/51/57/411425157.db2.gz SYUOJAKGDKADJN-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000653587178 411426718 /nfs/dbraw/zinc/42/67/18/411426718.db2.gz TWMPMCWZFSKVRN-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000653587178 411426720 /nfs/dbraw/zinc/42/67/20/411426720.db2.gz TWMPMCWZFSKVRN-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000653587178 411426722 /nfs/dbraw/zinc/42/67/22/411426722.db2.gz TWMPMCWZFSKVRN-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000653587178 411426723 /nfs/dbraw/zinc/42/67/23/411426723.db2.gz TWMPMCWZFSKVRN-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525419 411428286 /nfs/dbraw/zinc/42/82/86/411428286.db2.gz GEAQCFRXBCFXTK-WDEREUQCSA-N 2 1 242.367 0.365 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])C1 ZINC000659529898 411429986 /nfs/dbraw/zinc/42/99/86/411429986.db2.gz MRCLHBCWNMKUJX-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])C1 ZINC000659529897 411430240 /nfs/dbraw/zinc/43/02/40/411430240.db2.gz MRCLHBCWNMKUJX-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659540790 411432269 /nfs/dbraw/zinc/43/22/69/411432269.db2.gz XAZYCLOATAIOGT-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP CCOCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405554594 411434444 /nfs/dbraw/zinc/43/44/44/411434444.db2.gz ALPLTTVSBOLISW-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000654737319 411437092 /nfs/dbraw/zinc/43/70/92/411437092.db2.gz OAFPWVSDTGUINI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000654737319 411437094 /nfs/dbraw/zinc/43/70/94/411437094.db2.gz OAFPWVSDTGUINI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000654737319 411437096 /nfs/dbraw/zinc/43/70/96/411437096.db2.gz OAFPWVSDTGUINI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659636426 411442296 /nfs/dbraw/zinc/44/22/96/411442296.db2.gz LJGASDDBXQNYOR-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+](C)CCC[NH3+])C1=O ZINC000309469584 411496440 /nfs/dbraw/zinc/49/64/40/411496440.db2.gz QTORNJXBFMOSAD-SNVBAGLBSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000309469584 411496443 /nfs/dbraw/zinc/49/64/43/411496443.db2.gz QTORNJXBFMOSAD-SNVBAGLBSA-N 2 1 213.325 0.276 20 0 BCADMP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438026 411509815 /nfs/dbraw/zinc/50/98/15/411509815.db2.gz YPWIEMVJIAPBIR-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438026 411509818 /nfs/dbraw/zinc/50/98/18/411509818.db2.gz YPWIEMVJIAPBIR-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438030 411509881 /nfs/dbraw/zinc/50/98/81/411509881.db2.gz YPWIEMVJIAPBIR-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438030 411509885 /nfs/dbraw/zinc/50/98/85/411509885.db2.gz YPWIEMVJIAPBIR-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000336752546 411514295 /nfs/dbraw/zinc/51/42/95/411514295.db2.gz GZOQSMARTQDPQX-AXFHLTTASA-N 2 1 214.353 0.933 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000336752557 411514319 /nfs/dbraw/zinc/51/43/19/411514319.db2.gz GZOQSMARTQDPQX-HBNTYKKESA-N 2 1 214.353 0.933 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547108 411517434 /nfs/dbraw/zinc/51/74/34/411517434.db2.gz AUTZHMRIFXFOFZ-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484129 170007464 /nfs/dbraw/zinc/00/74/64/170007464.db2.gz AIPDSPBCYCTRQA-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484129 170007465 /nfs/dbraw/zinc/00/74/65/170007465.db2.gz AIPDSPBCYCTRQA-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CSCN2)C1 ZINC000236901047 170008722 /nfs/dbraw/zinc/00/87/22/170008722.db2.gz AIPDSPBCYCTRQA-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236901047 170008723 /nfs/dbraw/zinc/00/87/23/170008723.db2.gz AIPDSPBCYCTRQA-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236901047 170008724 /nfs/dbraw/zinc/00/87/24/170008724.db2.gz AIPDSPBCYCTRQA-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335150623 170012341 /nfs/dbraw/zinc/01/23/41/170012341.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335150623 170012342 /nfs/dbraw/zinc/01/23/42/170012342.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335150623 170012343 /nfs/dbraw/zinc/01/23/43/170012343.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040464013 170014961 /nfs/dbraw/zinc/01/49/61/170014961.db2.gz GMMJRYOEPXPMCZ-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310390158 170015427 /nfs/dbraw/zinc/01/54/27/170015427.db2.gz RKFWHDXNGZKLHX-RKDXNWHRSA-N 2 1 249.305 0.427 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000107895344 170015488 /nfs/dbraw/zinc/01/54/88/170015488.db2.gz BFPXIUNGBSCZAX-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000107895344 170015490 /nfs/dbraw/zinc/01/54/90/170015490.db2.gz BFPXIUNGBSCZAX-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)[C@@H](C)C1 ZINC000246244327 170017015 /nfs/dbraw/zinc/01/70/15/170017015.db2.gz JECQIJLBTFMYMS-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018803 /nfs/dbraw/zinc/01/88/03/170018803.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018804 /nfs/dbraw/zinc/01/88/04/170018804.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018805 /nfs/dbraw/zinc/01/88/05/170018805.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019848 /nfs/dbraw/zinc/01/98/48/170019848.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019850 /nfs/dbraw/zinc/01/98/50/170019850.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019851 /nfs/dbraw/zinc/01/98/51/170019851.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](COC)OC)[C@@H](C)C1 ZINC000358428913 170021066 /nfs/dbraw/zinc/02/10/66/170021066.db2.gz DWKKBHSVJCZMOF-XQQFMLRXSA-N 2 1 244.379 0.968 20 0 BCADMP CCNC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369357 170050311 /nfs/dbraw/zinc/05/03/11/170050311.db2.gz FCWOHEBJXXRMBE-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366563052 170051409 /nfs/dbraw/zinc/05/14/09/170051409.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366563052 170051410 /nfs/dbraw/zinc/05/14/10/170051410.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366563052 170051411 /nfs/dbraw/zinc/05/14/11/170051411.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377267896 170051580 /nfs/dbraw/zinc/05/15/80/170051580.db2.gz QYOUSKRVDMSDRP-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000331154297 170060813 /nfs/dbraw/zinc/06/08/13/170060813.db2.gz CYOGMCLTVUUCOV-LBPRGKRZSA-N 2 1 249.314 0.671 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331916441 170096097 /nfs/dbraw/zinc/09/60/97/170096097.db2.gz GIZUUBJGDYHIBA-AXFHLTTASA-N 2 1 227.352 0.761 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368311493 170207208 /nfs/dbraw/zinc/20/72/08/170207208.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368311493 170207212 /nfs/dbraw/zinc/20/72/12/170207212.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368311493 170207214 /nfs/dbraw/zinc/20/72/14/170207214.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368311493 170207216 /nfs/dbraw/zinc/20/72/16/170207216.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730656 170219195 /nfs/dbraw/zinc/21/91/95/170219195.db2.gz YUBDNMZCQMFYPL-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP CCOC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129146564 170221002 /nfs/dbraw/zinc/22/10/02/170221002.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000251217991 170271222 /nfs/dbraw/zinc/27/12/22/170271222.db2.gz FMWGIKWPQRPTRV-VWYCJHECSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000251217991 170271225 /nfs/dbraw/zinc/27/12/25/170271225.db2.gz FMWGIKWPQRPTRV-VWYCJHECSA-N 2 1 228.336 0.997 20 0 BCADMP CCOCCN(CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310258612 170395305 /nfs/dbraw/zinc/39/53/05/170395305.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CCOCC[N@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000310258612 170395307 /nfs/dbraw/zinc/39/53/07/170395307.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CCOCC[N@@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000310258612 170395308 /nfs/dbraw/zinc/39/53/08/170395308.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cncn1)C2 ZINC000660660447 411614212 /nfs/dbraw/zinc/61/42/12/411614212.db2.gz VPRPTLCEJMSWEC-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cncn1)C2 ZINC000660660447 411614213 /nfs/dbraw/zinc/61/42/13/411614213.db2.gz VPRPTLCEJMSWEC-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cncn1)C2 ZINC000660660447 411614215 /nfs/dbraw/zinc/61/42/15/411614215.db2.gz VPRPTLCEJMSWEC-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000660660447 411614216 /nfs/dbraw/zinc/61/42/16/411614216.db2.gz VPRPTLCEJMSWEC-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOCCO)C2 ZINC000660659802 411614595 /nfs/dbraw/zinc/61/45/95/411614595.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOCCO)C2 ZINC000660659802 411614596 /nfs/dbraw/zinc/61/45/96/411614596.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOCCO)C2 ZINC000660659802 411614597 /nfs/dbraw/zinc/61/45/97/411614597.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOCCO)C2 ZINC000660659802 411614598 /nfs/dbraw/zinc/61/45/98/411614598.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CC(CF)(CF)C1 ZINC000657875762 411615075 /nfs/dbraw/zinc/61/50/75/411615075.db2.gz OVMFNUDRDJCXLY-JTQLQIEISA-N 2 1 236.306 0.586 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000660920167 411673483 /nfs/dbraw/zinc/67/34/83/411673483.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000660920167 411673487 /nfs/dbraw/zinc/67/34/87/411673487.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CCO ZINC000660920167 411673491 /nfs/dbraw/zinc/67/34/91/411673491.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000660920167 411673494 /nfs/dbraw/zinc/67/34/94/411673494.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP C[C@H]([NH3+])C1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494584 411674784 /nfs/dbraw/zinc/67/47/84/411674784.db2.gz JNDMHVYTBOBYLK-UHTWSYAYSA-N 2 1 223.364 0.655 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000663496224 411676647 /nfs/dbraw/zinc/67/66/47/411676647.db2.gz DQKLUWVBJGICGK-XDQVBPFNSA-N 3 1 235.375 0.657 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000663496224 411676652 /nfs/dbraw/zinc/67/66/52/411676652.db2.gz DQKLUWVBJGICGK-XDQVBPFNSA-N 3 1 235.375 0.657 20 0 BCADMP C(C[NH2+]C[C@]12C[C@H]1C[NH2+]C2)C[NH2+]C1CC1 ZINC000663496658 411676995 /nfs/dbraw/zinc/67/69/95/411676995.db2.gz HPBHCGXWEXSSSZ-JQWIXIFHSA-N 3 1 209.337 0.328 20 0 BCADMP CC1([NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663497445 411679791 /nfs/dbraw/zinc/67/97/91/411679791.db2.gz ORDZKIFHTGMNAU-CMPLNLGQSA-N 3 1 209.337 0.328 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnnn1C ZINC000663498587 411680704 /nfs/dbraw/zinc/68/07/04/411680704.db2.gz PWIFYWUAFSYZMX-SNVBAGLBSA-N 2 1 211.313 0.278 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663503575 411687635 /nfs/dbraw/zinc/68/76/35/411687635.db2.gz PTUUDMGUPUPFQM-IJLUTSLNSA-N 3 1 211.353 0.559 20 0 BCADMP c1cc(N[C@H]2CC[NH2+]C2)nc(N2CCCCC2)[nH+]1 ZINC000333484710 411703136 /nfs/dbraw/zinc/70/31/36/411703136.db2.gz FYSXYAIAGPDQNL-NSHDSACASA-N 2 1 247.346 1.241 20 0 BCADMP Cc1nccc(N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000361017916 411786118 /nfs/dbraw/zinc/78/61/18/411786118.db2.gz PYEJMXLZIBDHOW-LLVKDONJSA-N 2 1 249.362 0.833 20 0 BCADMP C[C@@H]([NH3+])CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000643035761 411823485 /nfs/dbraw/zinc/82/34/85/411823485.db2.gz ZGQKXMJNGYCEEQ-SNVBAGLBSA-N 2 1 235.335 1.226 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546834 411888956 /nfs/dbraw/zinc/88/89/56/411888956.db2.gz DEKNDINNIVYTJB-LLVKDONJSA-N 2 1 234.347 1.142 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1cnc(N)s1 ZINC000568087593 411901847 /nfs/dbraw/zinc/90/18/47/411901847.db2.gz LAMOBHUJKWUDJU-UHFFFAOYSA-N 2 1 200.311 0.424 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000420407259 411907003 /nfs/dbraw/zinc/90/70/03/411907003.db2.gz OHYBCOGDFGEDGZ-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000420407256 411907142 /nfs/dbraw/zinc/90/71/42/411907142.db2.gz OHYBCOGDFGEDGZ-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BCADMP C[NH+](C)CC1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000340282846 411910238 /nfs/dbraw/zinc/91/02/38/411910238.db2.gz IVADUUOMMMNFHU-UHFFFAOYSA-N 2 1 249.362 0.832 20 0 BCADMP CCC[C@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641067787 411914321 /nfs/dbraw/zinc/91/43/21/411914321.db2.gz AHIPVPZEGFGSKP-JTQLQIEISA-N 2 1 246.318 1.104 20 0 BCADMP C[C@@](C[NH3+])([NH2+]Cc1ccnc(N)c1)C1CC1 ZINC000576874924 411917971 /nfs/dbraw/zinc/91/79/71/411917971.db2.gz DHWZFXSQLORVQX-LBPRGKRZSA-N 2 1 220.320 0.881 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(N)c1 ZINC000565959699 411929411 /nfs/dbraw/zinc/92/94/11/411929411.db2.gz RSOVYTQTVMLEDM-ONGXEEELSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(N)c1 ZINC000565959699 411929416 /nfs/dbraw/zinc/92/94/16/411929416.db2.gz RSOVYTQTVMLEDM-ONGXEEELSA-N 2 1 220.320 0.975 20 0 BCADMP C[N@H+](Cc1ccc(N)nc1)C1CC[NH2+]CC1 ZINC000647484167 411881406 /nfs/dbraw/zinc/88/14/06/411881406.db2.gz DVLSGHQWEDOHJB-UHFFFAOYSA-N 2 1 220.320 0.848 20 0 BCADMP C[N@@H+](Cc1ccc(N)nc1)C1CC[NH2+]CC1 ZINC000647484167 411881410 /nfs/dbraw/zinc/88/14/10/411881410.db2.gz DVLSGHQWEDOHJB-UHFFFAOYSA-N 2 1 220.320 0.848 20 0 BCADMP Nc1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000566229442 411963824 /nfs/dbraw/zinc/96/38/24/411963824.db2.gz BZYZRBVSHPHQCR-QMMMGPOBSA-N 2 1 226.349 0.815 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000665669514 411987918 /nfs/dbraw/zinc/98/79/18/411987918.db2.gz NGTXLLBKZUMLQT-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000665669514 411987927 /nfs/dbraw/zinc/98/79/27/411987927.db2.gz NGTXLLBKZUMLQT-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000665669514 411987930 /nfs/dbraw/zinc/98/79/30/411987930.db2.gz NGTXLLBKZUMLQT-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000665669514 411987935 /nfs/dbraw/zinc/98/79/35/411987935.db2.gz NGTXLLBKZUMLQT-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150107 412009309 /nfs/dbraw/zinc/00/93/09/412009309.db2.gz UDESQOJSHRDGSA-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662150107 412009313 /nfs/dbraw/zinc/00/93/13/412009313.db2.gz UDESQOJSHRDGSA-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152192 412009393 /nfs/dbraw/zinc/00/93/93/412009393.db2.gz QQPPZHGNQQITJY-WCQYABFASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152192 412009397 /nfs/dbraw/zinc/00/93/97/412009397.db2.gz QQPPZHGNQQITJY-WCQYABFASA-N 2 1 242.363 0.552 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149080 412009530 /nfs/dbraw/zinc/00/95/30/412009530.db2.gz MWFAFLADLSKGPK-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662149080 412009532 /nfs/dbraw/zinc/00/95/32/412009532.db2.gz MWFAFLADLSKGPK-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000664718256 412012907 /nfs/dbraw/zinc/01/29/07/412012907.db2.gz BFNZOVLHLQHFKH-XYPYZODXSA-N 2 1 241.379 0.960 20 0 BCADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000662159363 412013737 /nfs/dbraw/zinc/01/37/37/412013737.db2.gz YTAUMFXRBJUOHM-GFCCVEGCSA-N 2 1 230.327 0.877 20 0 BCADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000662159363 412013738 /nfs/dbraw/zinc/01/37/38/412013738.db2.gz YTAUMFXRBJUOHM-GFCCVEGCSA-N 2 1 230.327 0.877 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662228605 412032334 /nfs/dbraw/zinc/03/23/34/412032334.db2.gz IVUSMJAJJQRIHI-CHWSQXEVSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662243735 412039994 /nfs/dbraw/zinc/03/99/94/412039994.db2.gz JULGXPPJJXFMPO-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662243735 412039997 /nfs/dbraw/zinc/03/99/97/412039997.db2.gz JULGXPPJJXFMPO-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245141 412041103 /nfs/dbraw/zinc/04/11/03/412041103.db2.gz HWUNWEDFILZYCG-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245141 412041107 /nfs/dbraw/zinc/04/11/07/412041107.db2.gz HWUNWEDFILZYCG-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249707 412046306 /nfs/dbraw/zinc/04/63/06/412046306.db2.gz YHVVGQLVYFWPAE-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662248347 412046666 /nfs/dbraw/zinc/04/66/66/412046666.db2.gz ZULKSRPOJSOXGX-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662248347 412046669 /nfs/dbraw/zinc/04/66/69/412046669.db2.gz ZULKSRPOJSOXGX-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662270113 412060063 /nfs/dbraw/zinc/06/00/63/412060063.db2.gz IJOGDHAFHOSHRO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000662248346 412047643 /nfs/dbraw/zinc/04/76/43/412047643.db2.gz ZULKSRPOJSOXGX-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000662248346 412047644 /nfs/dbraw/zinc/04/76/44/412047644.db2.gz ZULKSRPOJSOXGX-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248114 412047745 /nfs/dbraw/zinc/04/77/45/412047745.db2.gz UBMPHNYTDVGOHM-NSHDSACASA-N 3 1 241.379 0.424 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255082 412048418 /nfs/dbraw/zinc/04/84/18/412048418.db2.gz OFXHTDIAXWOQQN-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)CO1 ZINC000662252007 412049945 /nfs/dbraw/zinc/04/99/45/412049945.db2.gz LAVWOKHBCSFORW-IJLUTSLNSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)CO1 ZINC000662252013 412050055 /nfs/dbraw/zinc/05/00/55/412050055.db2.gz LAVWOKHBCSFORW-UTUOFQBUSA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255426 412051447 /nfs/dbraw/zinc/05/14/47/412051447.db2.gz PFSKCWWATUSCIN-WDEREUQCSA-N 2 1 226.320 0.228 20 0 BCADMP COC[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)OC ZINC000662278493 412071646 /nfs/dbraw/zinc/07/16/46/412071646.db2.gz YNSPEEGNOLJSJC-UWVGGRQHSA-N 2 1 218.341 0.611 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000662273201 412064772 /nfs/dbraw/zinc/06/47/72/412064772.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CNCCO1 ZINC000662273201 412064774 /nfs/dbraw/zinc/06/47/74/412064774.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 2 1 227.352 0.178 20 0 BCADMP CC[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000357956955 171130048 /nfs/dbraw/zinc/13/00/48/171130048.db2.gz HXELJSHFPHAZSR-UPJWGTAASA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000357956955 171130051 /nfs/dbraw/zinc/13/00/51/171130051.db2.gz HXELJSHFPHAZSR-UPJWGTAASA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000353435648 171147018 /nfs/dbraw/zinc/14/70/18/171147018.db2.gz WWZZVHXPFZBMLO-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000353435648 171147021 /nfs/dbraw/zinc/14/70/21/171147021.db2.gz WWZZVHXPFZBMLO-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000353430958 171149653 /nfs/dbraw/zinc/14/96/53/171149653.db2.gz XPDIXLZHJOJJGL-TUAOUCFPSA-N 2 1 239.363 0.442 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)OC ZINC000662277674 412069610 /nfs/dbraw/zinc/06/96/10/412069610.db2.gz RSQPNGJDFJYSCK-WISYIIOYSA-N 2 1 230.352 0.624 20 0 BCADMP CC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000364487945 171195926 /nfs/dbraw/zinc/19/59/26/171195926.db2.gz RIUQKPSDNMTVDB-SECBINFHSA-N 2 1 235.278 0.086 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282403 412071938 /nfs/dbraw/zinc/07/19/38/412071938.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 2 1 241.379 0.280 20 0 BCADMP C[C@@H]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282403 412071943 /nfs/dbraw/zinc/07/19/43/412071943.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 2 1 241.379 0.280 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281556 412072678 /nfs/dbraw/zinc/07/26/78/412072678.db2.gz NUBIUKCSJPOZIK-NSHDSACASA-N 3 1 227.352 0.049 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281556 412072682 /nfs/dbraw/zinc/07/26/82/412072682.db2.gz NUBIUKCSJPOZIK-NSHDSACASA-N 3 1 227.352 0.049 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)[NH+](C)C ZINC000358709972 171226503 /nfs/dbraw/zinc/22/65/03/171226503.db2.gz AZGHITOUICTBLW-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+](CC)C1CC1)[NH+](C)C ZINC000125114939 171228033 /nfs/dbraw/zinc/22/80/33/171228033.db2.gz SEGCDRZHUDOBJK-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000226396354 171305685 /nfs/dbraw/zinc/30/56/85/171305685.db2.gz IMZACFKZTYHTHS-QWRGUYRKSA-N 2 1 229.368 0.816 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291919 412080869 /nfs/dbraw/zinc/08/08/69/412080869.db2.gz ARPBGKGEYICAMS-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000662388262 412139940 /nfs/dbraw/zinc/13/99/40/412139940.db2.gz OZZKXKNZHFMMEK-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP COCC1([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299753 412086700 /nfs/dbraw/zinc/08/67/00/412086700.db2.gz WSYHPZDKBGCDDE-NSHDSACASA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000662301230 412087687 /nfs/dbraw/zinc/08/76/87/412087687.db2.gz PMDRXCVYXFLKDJ-WDEREUQCSA-N 2 1 200.326 0.818 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316216 412092827 /nfs/dbraw/zinc/09/28/27/412092827.db2.gz XJJMBGCGENTCDZ-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662306928 412092893 /nfs/dbraw/zinc/09/28/93/412092893.db2.gz SKDWQONGXZRFIC-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307734 412093184 /nfs/dbraw/zinc/09/31/84/412093184.db2.gz YKRKZGXLVLKITQ-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP FCC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662311039 412094743 /nfs/dbraw/zinc/09/47/43/412094743.db2.gz PXZKANKNEPRIFV-CYBMUJFWSA-N 2 1 243.370 0.963 20 0 BCADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC[NH3+])cn1 ZINC000662309763 412094783 /nfs/dbraw/zinc/09/47/83/412094783.db2.gz DALAAZMCPVBFPT-VXGBXAGGSA-N 2 1 222.336 0.680 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314411 412096931 /nfs/dbraw/zinc/09/69/31/412096931.db2.gz PABORIIHQOULCV-WOPDTQHZSA-N 2 1 230.352 0.456 20 0 BCADMP [NH3+]CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662390947 412142006 /nfs/dbraw/zinc/14/20/06/412142006.db2.gz UKVXOZJOOVZIST-SECBINFHSA-N 2 1 229.230 0.040 20 0 BCADMP CC[C@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324591 412102058 /nfs/dbraw/zinc/10/20/58/412102058.db2.gz YXIWHADUBTWBEW-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP C[NH+](C)C1(C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000665162191 412116175 /nfs/dbraw/zinc/11/61/75/412116175.db2.gz OGYIWPPPOBAOGE-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000665162191 412116179 /nfs/dbraw/zinc/11/61/79/412116179.db2.gz OGYIWPPPOBAOGE-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662384907 412129511 /nfs/dbraw/zinc/12/95/11/412129511.db2.gz AVNVDXPTNYMSER-MOENNCHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662384907 412129515 /nfs/dbraw/zinc/12/95/15/412129515.db2.gz AVNVDXPTNYMSER-MOENNCHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2CC1(C)C2 ZINC000662384907 412129519 /nfs/dbraw/zinc/12/95/19/412129519.db2.gz AVNVDXPTNYMSER-MOENNCHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2CC1(C)C2 ZINC000662384907 412129522 /nfs/dbraw/zinc/12/95/22/412129522.db2.gz AVNVDXPTNYMSER-MOENNCHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000662379311 412131754 /nfs/dbraw/zinc/13/17/54/412131754.db2.gz VBGDMULTLJYTSW-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)C[NH2+]C(C)C ZINC000662382444 412133146 /nfs/dbraw/zinc/13/31/46/412133146.db2.gz LSOAUYCEJSOAPE-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450911 412180226 /nfs/dbraw/zinc/18/02/26/412180226.db2.gz FLZWTPUXXBEIAS-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662472189 412188434 /nfs/dbraw/zinc/18/84/34/412188434.db2.gz PNYAEUDQBFCNNH-SRVKXCTJSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000662474103 412188670 /nfs/dbraw/zinc/18/86/70/412188670.db2.gz UCAQWJLEAIWFEK-WOPDTQHZSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000662483224 412190425 /nfs/dbraw/zinc/19/04/25/412190425.db2.gz SSHHFOJVJKUOAI-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662497429 412194984 /nfs/dbraw/zinc/19/49/84/412194984.db2.gz IESDRMMPOMUNOJ-QXEWZRGKSA-N 2 1 225.336 0.193 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662496823 412195042 /nfs/dbraw/zinc/19/50/42/412195042.db2.gz BWZXMRHNENHEEB-CMPLNLGQSA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662498163 412196398 /nfs/dbraw/zinc/19/63/98/412196398.db2.gz PBBITJRCSBZPCK-ADEWGFFLSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662514198 412201745 /nfs/dbraw/zinc/20/17/45/412201745.db2.gz LIRBXOGIUVDUHD-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000662398896 412147322 /nfs/dbraw/zinc/14/73/22/412147322.db2.gz KSEIFDVNAUBBKL-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662410558 412154163 /nfs/dbraw/zinc/15/41/63/412154163.db2.gz SHVIIBQBQLUXIX-KOLCDFICSA-N 2 1 225.336 0.337 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000662409003 412154600 /nfs/dbraw/zinc/15/46/00/412154600.db2.gz CVFUATFXDPGVCU-HAQNSBGRSA-N 2 1 245.326 0.860 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000665272368 412214191 /nfs/dbraw/zinc/21/41/91/412214191.db2.gz DGFALWCJGAOWQR-OUAUKWLOSA-N 2 1 225.336 0.385 20 0 BCADMP C[C@@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000665234411 412173485 /nfs/dbraw/zinc/17/34/85/412173485.db2.gz CKLWTWUUAGRKMO-JLLWLGSASA-N 2 1 212.337 0.878 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000662682694 412269921 /nfs/dbraw/zinc/26/99/21/412269921.db2.gz RZNWDXGPLARDIS-KKOKHZNYSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000662685637 412270667 /nfs/dbraw/zinc/27/06/67/412270667.db2.gz WOMLBBABENRCAI-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000662702631 412275385 /nfs/dbraw/zinc/27/53/85/412275385.db2.gz AQJFQWVIHLSBHU-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703511 412276801 /nfs/dbraw/zinc/27/68/01/412276801.db2.gz LBJZXNIAHCRHFX-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713868 412279437 /nfs/dbraw/zinc/27/94/37/412279437.db2.gz ZSGJGTVWMGBOAA-MGCOHNPYSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711297 412280137 /nfs/dbraw/zinc/28/01/37/412280137.db2.gz BBGYGLQYXNUGMQ-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665283493 412230084 /nfs/dbraw/zinc/23/00/84/412230084.db2.gz OTHVHKQPKDQQPG-YNEHKIRRSA-N 2 1 243.395 0.716 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662586377 412230563 /nfs/dbraw/zinc/23/05/63/412230563.db2.gz TVNMSAYLBMSRBL-WCBMZHEXSA-N 2 1 222.292 0.366 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662585777 412230794 /nfs/dbraw/zinc/23/07/94/412230794.db2.gz LQESTBLNGDUMGD-MNOVXSKESA-N 2 1 236.319 0.756 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662585780 412230970 /nfs/dbraw/zinc/23/09/70/412230970.db2.gz LQESTBLNGDUMGD-QWRGUYRKSA-N 2 1 236.319 0.756 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589735 412232017 /nfs/dbraw/zinc/23/20/17/412232017.db2.gz CZCSHBHGPQIXIV-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000662593566 412233933 /nfs/dbraw/zinc/23/39/33/412233933.db2.gz PIEYUOXZLPIFTH-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619706 412244802 /nfs/dbraw/zinc/24/48/02/412244802.db2.gz NTZPUKMUPLZWRQ-OUAUKWLOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H]([NH2+]CCOCCF)[C@@H]1CCC[NH2+]1 ZINC000665298896 412248360 /nfs/dbraw/zinc/24/83/60/412248360.db2.gz BVJJGXTXPLTLEX-ZJUUUORDSA-N 2 1 204.289 0.703 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804640 412306305 /nfs/dbraw/zinc/30/63/05/412306305.db2.gz GEJVKOHQBGSQEI-MNOVXSKESA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804644 412306757 /nfs/dbraw/zinc/30/67/57/412306757.db2.gz GEJVKOHQBGSQEI-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP CN(CC[NH3+])C(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662817046 412309681 /nfs/dbraw/zinc/30/96/81/412309681.db2.gz ZPIFUNPGIYPXEB-JTQLQIEISA-N 2 1 243.257 0.382 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000662820794 412310768 /nfs/dbraw/zinc/31/07/68/412310768.db2.gz CSSRNROUAVZORT-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662827377 412312710 /nfs/dbraw/zinc/31/27/10/412312710.db2.gz ILPYLMMUWYSFLE-HAQNSBGRSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837779 412316620 /nfs/dbraw/zinc/31/66/20/412316620.db2.gz KZICEJBNLOMQAC-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](CCNC(=O)[C@@H]1CSC[NH2+]1)[NH+](C)C ZINC000662861239 412328477 /nfs/dbraw/zinc/32/84/77/412328477.db2.gz YPFRXTNFMXZBIN-IUCAKERBSA-N 2 1 231.365 0.105 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662910591 412341993 /nfs/dbraw/zinc/34/19/93/412341993.db2.gz PTAQWAAYDFIJQL-NNYUYHANSA-N 2 1 237.347 0.052 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744640 412289570 /nfs/dbraw/zinc/28/95/70/412289570.db2.gz BFDJADRTJMQATN-DCAQKATOSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000662767911 412295776 /nfs/dbraw/zinc/29/57/76/412295776.db2.gz YIHGXXHJZZFUQA-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC1(C)CC[NH2+][C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662766986 412296079 /nfs/dbraw/zinc/29/60/79/412296079.db2.gz PNTDEVWOEFSHBL-SSDOTTSWSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999893 412366032 /nfs/dbraw/zinc/36/60/32/412366032.db2.gz CWHVKDUVLJZTTM-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP COc1c(N)[nH+]cnc1N[C@H](C)[C@H](C)[NH3+] ZINC000663242386 412399524 /nfs/dbraw/zinc/39/95/24/412399524.db2.gz OKDMAKKQGSRTRH-NTSWFWBYSA-N 2 1 211.269 0.215 20 0 BCADMP CCn1cc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000375723344 172159921 /nfs/dbraw/zinc/15/99/21/172159921.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1cc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000375723344 172159924 /nfs/dbraw/zinc/15/99/24/172159924.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1cc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000375723344 172159925 /nfs/dbraw/zinc/15/99/25/172159925.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1cc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000375723344 172159926 /nfs/dbraw/zinc/15/99/26/172159926.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000050541314 172165744 /nfs/dbraw/zinc/16/57/44/172165744.db2.gz FXEWWOVLNVGDEZ-SNVBAGLBSA-N 2 1 208.309 0.684 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000050541314 172165745 /nfs/dbraw/zinc/16/57/45/172165745.db2.gz FXEWWOVLNVGDEZ-SNVBAGLBSA-N 2 1 208.309 0.684 20 0 BCADMP CN(C)C(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000361803323 172353582 /nfs/dbraw/zinc/35/35/82/172353582.db2.gz IEGDNNCNIRFAQA-FGWVZKOKSA-N 2 1 224.352 0.945 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000037898272 172357736 /nfs/dbraw/zinc/35/77/36/172357736.db2.gz WRDVOETUVWQJBC-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000037898077 172358291 /nfs/dbraw/zinc/35/82/91/172358291.db2.gz GFOUKXNHRFRBHT-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000037898077 172358293 /nfs/dbraw/zinc/35/82/93/172358293.db2.gz GFOUKXNHRFRBHT-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336652091 172487682 /nfs/dbraw/zinc/48/76/82/172487682.db2.gz WJIQEXLHWPHMFP-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP C[N@@H+](CCCCO)C[C@]1(C)CC[NH2+]C1 ZINC000308881590 172699170 /nfs/dbraw/zinc/69/91/70/172699170.db2.gz QLSGZDNMFSVVPW-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062853038 173011380 /nfs/dbraw/zinc/01/13/80/173011380.db2.gz LMSYTDMQWROIPN-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000020217826 173015147 /nfs/dbraw/zinc/01/51/47/173015147.db2.gz DPIMURVXZCNMNZ-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086427 173015166 /nfs/dbraw/zinc/01/51/66/173015166.db2.gz USUVLJMZWRZAEG-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000227004739 173015295 /nfs/dbraw/zinc/01/52/95/173015295.db2.gz USUVLJMZWRZAEG-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[NH+](C)CC1)C1CC1 ZINC000336678711 173018270 /nfs/dbraw/zinc/01/82/70/173018270.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+](C[C@@H](O)CN1CCC[N@H+](C)CC1)C1CC1 ZINC000336678711 173018273 /nfs/dbraw/zinc/01/82/73/173018273.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+](C[C@@H](O)CN1CCC[N@@H+](C)CC1)C1CC1 ZINC000336678711 173018275 /nfs/dbraw/zinc/01/82/75/173018275.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567323 173027546 /nfs/dbraw/zinc/02/75/46/173027546.db2.gz ULOFPQZHDOMSEW-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567323 173027547 /nfs/dbraw/zinc/02/75/47/173027547.db2.gz ULOFPQZHDOMSEW-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CO ZINC000305649945 173028330 /nfs/dbraw/zinc/02/83/30/173028330.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CO ZINC000305649945 173028332 /nfs/dbraw/zinc/02/83/32/173028332.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CO ZINC000305649945 173028335 /nfs/dbraw/zinc/02/83/35/173028335.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046505 173030120 /nfs/dbraw/zinc/03/01/20/173030120.db2.gz QYAMNNVLVGAEPJ-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000224047996 173030791 /nfs/dbraw/zinc/03/07/91/173030791.db2.gz MFZWWGKTALPSFD-CHWSQXEVSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000224047996 173030792 /nfs/dbraw/zinc/03/07/92/173030792.db2.gz MFZWWGKTALPSFD-CHWSQXEVSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262370 173032656 /nfs/dbraw/zinc/03/26/56/173032656.db2.gz LGEQTKZOYYBGFR-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262925 173034951 /nfs/dbraw/zinc/03/49/51/173034951.db2.gz RRHFEBNWZHQZOO-GHMZBOCLSA-N 2 1 237.347 0.563 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH3+] ZINC000237085126 173039585 /nfs/dbraw/zinc/03/95/85/173039585.db2.gz VYTJXGFPPFXUSD-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040673649 173043963 /nfs/dbraw/zinc/04/39/63/173043963.db2.gz KGCRAVLVHMHPOU-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000305146958 173051023 /nfs/dbraw/zinc/05/10/23/173051023.db2.gz YQWCFMIEJIZHBQ-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648396 173051309 /nfs/dbraw/zinc/05/13/09/173051309.db2.gz SVJMIFFHNOCCBJ-LBPRGKRZSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000358700482 173051486 /nfs/dbraw/zinc/05/14/86/173051486.db2.gz XPNGYUABLWFWFH-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394828 173052608 /nfs/dbraw/zinc/05/26/08/173052608.db2.gz RVQQMYVYWKRONE-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934974 173054815 /nfs/dbraw/zinc/05/48/15/173054815.db2.gz JAGRBYYSZLMISQ-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309221326 173055136 /nfs/dbraw/zinc/05/51/36/173055136.db2.gz YEAFOXKKCHNACM-JGVFFNPUSA-N 2 1 235.278 0.179 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000224048049 173055355 /nfs/dbraw/zinc/05/53/55/173055355.db2.gz MFZWWGKTALPSFD-QWHCGFSZSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000224048049 173055356 /nfs/dbraw/zinc/05/53/56/173055356.db2.gz MFZWWGKTALPSFD-QWHCGFSZSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000227334580 173058859 /nfs/dbraw/zinc/05/88/59/173058859.db2.gz OEALRTFTRUVKTM-CMPLNLGQSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261587 173060589 /nfs/dbraw/zinc/06/05/89/173060589.db2.gz AWGADRZJBCYAAS-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055122087 173066159 /nfs/dbraw/zinc/06/61/59/173066159.db2.gz BIYHYSMUPPTCHS-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134462843 173067570 /nfs/dbraw/zinc/06/75/70/173067570.db2.gz JIKKCWBFIDOQGX-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH2+]C2CC2)CC1(C)C ZINC000104124749 173068120 /nfs/dbraw/zinc/06/81/20/173068120.db2.gz JGLQXBSTIXDRSP-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893824 173115878 /nfs/dbraw/zinc/11/58/78/173115878.db2.gz ZVAOLTWXVQJDRG-CMPLNLGQSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCSC2)C1 ZINC000335602304 173137475 /nfs/dbraw/zinc/13/74/75/173137475.db2.gz KDNCULPLDUJBHV-WDEREUQCSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCSC2)C1 ZINC000335602304 173137471 /nfs/dbraw/zinc/13/74/71/173137471.db2.gz KDNCULPLDUJBHV-WDEREUQCSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000336732904 173138147 /nfs/dbraw/zinc/13/81/47/173138147.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 2 1 235.335 0.306 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000336732904 173138149 /nfs/dbraw/zinc/13/81/49/173138149.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 2 1 235.335 0.306 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000336732904 173138152 /nfs/dbraw/zinc/13/81/52/173138152.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 2 1 235.335 0.306 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000336732904 173138154 /nfs/dbraw/zinc/13/81/54/173138154.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 2 1 235.335 0.306 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000336632470 173144442 /nfs/dbraw/zinc/14/44/42/173144442.db2.gz CAWUWUIGPHGTIR-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000336632470 173144444 /nfs/dbraw/zinc/14/44/44/173144444.db2.gz CAWUWUIGPHGTIR-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000336632470 173144446 /nfs/dbraw/zinc/14/44/46/173144446.db2.gz CAWUWUIGPHGTIR-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763033 173145466 /nfs/dbraw/zinc/14/54/66/173145466.db2.gz OINFDZULLPVYOW-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCO)[C@H]2CCC[C@H]21 ZINC000308902257 173152281 /nfs/dbraw/zinc/15/22/81/173152281.db2.gz BOFMZMICLHCMKT-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCO)[C@H]2CCC[C@@H]21 ZINC000308902260 173153147 /nfs/dbraw/zinc/15/31/47/173153147.db2.gz BOFMZMICLHCMKT-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367897781 173155294 /nfs/dbraw/zinc/15/52/94/173155294.db2.gz CAAJFTOGWWDGDE-AVGNSLFASA-N 2 1 249.362 0.778 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367897781 173155297 /nfs/dbraw/zinc/15/52/97/173155297.db2.gz CAAJFTOGWWDGDE-AVGNSLFASA-N 2 1 249.362 0.778 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCCCC2)C1 ZINC000308845706 173164065 /nfs/dbraw/zinc/16/40/65/173164065.db2.gz ABFFRSCQWIPOJR-LBPRGKRZSA-N 2 1 212.337 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCCCC2)C1 ZINC000308845706 173164067 /nfs/dbraw/zinc/16/40/67/173164067.db2.gz ABFFRSCQWIPOJR-LBPRGKRZSA-N 2 1 212.337 0.975 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOCC2)C1 ZINC000309465809 173164597 /nfs/dbraw/zinc/16/45/97/173164597.db2.gz PGBJLZIQNSGIPF-RYUDHWBXSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOCC2)C1 ZINC000309465809 173164600 /nfs/dbraw/zinc/16/46/00/173164600.db2.gz PGBJLZIQNSGIPF-RYUDHWBXSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335642440 173165072 /nfs/dbraw/zinc/16/50/72/173165072.db2.gz FREOYVBCBKEBQX-AAEUAGOBSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335642440 173165073 /nfs/dbraw/zinc/16/50/73/173165073.db2.gz FREOYVBCBKEBQX-AAEUAGOBSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2)C1 ZINC000358139375 173165385 /nfs/dbraw/zinc/16/53/85/173165385.db2.gz NKLJHFMRODIWHY-ZDUSSCGKSA-N 2 1 238.306 0.982 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2)C1 ZINC000358139375 173165386 /nfs/dbraw/zinc/16/53/86/173165386.db2.gz NKLJHFMRODIWHY-ZDUSSCGKSA-N 2 1 238.306 0.982 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000336714621 173196367 /nfs/dbraw/zinc/19/63/67/173196367.db2.gz PEMNCFUCSOABPD-QJPTWQEYSA-N 2 1 237.347 0.434 20 0 BCADMP CN(C)c1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000362666012 173200024 /nfs/dbraw/zinc/20/00/24/173200024.db2.gz DORMDHNXWVGGGA-PHIMTYICSA-N 2 1 247.346 0.540 20 0 BCADMP CN(C)c1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000362666012 173200026 /nfs/dbraw/zinc/20/00/26/173200026.db2.gz DORMDHNXWVGGGA-PHIMTYICSA-N 2 1 247.346 0.540 20 0 BCADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000371707859 173200971 /nfs/dbraw/zinc/20/09/71/173200971.db2.gz DKUYDOXVPRJJNS-ZDUSSCGKSA-N 2 1 245.326 0.509 20 0 BCADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000371707859 173200973 /nfs/dbraw/zinc/20/09/73/173200973.db2.gz DKUYDOXVPRJJNS-ZDUSSCGKSA-N 2 1 245.326 0.509 20 0 BCADMP CNC(=O)CC[N@H+](C)CCn1cc[nH+]c1C ZINC000270630460 173246751 /nfs/dbraw/zinc/24/67/51/173246751.db2.gz GKFITIPCQHLIGA-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCn1cc[nH+]c1C ZINC000270630460 173246752 /nfs/dbraw/zinc/24/67/52/173246752.db2.gz GKFITIPCQHLIGA-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437662 173247804 /nfs/dbraw/zinc/24/78/04/173247804.db2.gz BTRKKNHTGLXWGY-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226437668 173248714 /nfs/dbraw/zinc/24/87/14/173248714.db2.gz BTRKKNHTGLXWGY-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000359081202 173281737 /nfs/dbraw/zinc/28/17/37/173281737.db2.gz JCYOHYBIHPVQJQ-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336761113 173283006 /nfs/dbraw/zinc/28/30/06/173283006.db2.gz KGJFXHLLVQCTEM-DCAQKATOSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336761113 173283007 /nfs/dbraw/zinc/28/30/07/173283007.db2.gz KGJFXHLLVQCTEM-DCAQKATOSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124942445 173293701 /nfs/dbraw/zinc/29/37/01/173293701.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124942445 173293702 /nfs/dbraw/zinc/29/37/02/173293702.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124942445 173293703 /nfs/dbraw/zinc/29/37/03/173293703.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000270873216 173300981 /nfs/dbraw/zinc/30/09/81/173300981.db2.gz MFQCZRRLCWFLFJ-SNVBAGLBSA-N 2 1 238.335 0.505 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270873216 173300982 /nfs/dbraw/zinc/30/09/82/173300982.db2.gz MFQCZRRLCWFLFJ-SNVBAGLBSA-N 2 1 238.335 0.505 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124942623 173301001 /nfs/dbraw/zinc/30/10/01/173301001.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124942623 173301002 /nfs/dbraw/zinc/30/10/02/173301002.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124942623 173301003 /nfs/dbraw/zinc/30/10/03/173301003.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000237179113 173323778 /nfs/dbraw/zinc/32/37/78/173323778.db2.gz FSPNYDAXTNYQCB-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771177 173327748 /nfs/dbraw/zinc/32/77/48/173327748.db2.gz GCUYCUIBEUDIMM-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000237312847 173338370 /nfs/dbraw/zinc/33/83/70/173338370.db2.gz QODXMNDORDKZRD-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000357235580 173340856 /nfs/dbraw/zinc/34/08/56/173340856.db2.gz DFQXHXYKTPMTIU-GFCCVEGCSA-N 2 1 241.379 0.690 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357236257 173341197 /nfs/dbraw/zinc/34/11/97/173341197.db2.gz CLQZAKGSMHKXOP-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@@H+](C)C(C)C ZINC000054133661 173343765 /nfs/dbraw/zinc/34/37/65/173343765.db2.gz HDOYYPKBVRYCEL-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378774 173344112 /nfs/dbraw/zinc/34/41/12/173344112.db2.gz BQMQLKNOURNYMO-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000377126198 173347779 /nfs/dbraw/zinc/34/77/79/173347779.db2.gz JDARYMWKNDEDBH-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000237281060 173351228 /nfs/dbraw/zinc/35/12/28/173351228.db2.gz CTETVVQWVZCAIA-UHFFFAOYSA-N 2 1 249.358 0.796 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000237281060 173351230 /nfs/dbraw/zinc/35/12/30/173351230.db2.gz CTETVVQWVZCAIA-UHFFFAOYSA-N 2 1 249.358 0.796 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000372433856 173352104 /nfs/dbraw/zinc/35/21/04/173352104.db2.gz QRFZFKOOUZQTKK-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000151259679 173355267 /nfs/dbraw/zinc/35/52/67/173355267.db2.gz WOHVWVGTEDEAKF-GFCCVEGCSA-N 2 1 235.331 0.625 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000237194569 173362543 /nfs/dbraw/zinc/36/25/43/173362543.db2.gz RPGXZIJBPIOUMU-VXGBXAGGSA-N 2 1 241.379 0.690 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000040598537 173367993 /nfs/dbraw/zinc/36/79/93/173367993.db2.gz FTEXMIDWAFNNAX-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000040598537 173367995 /nfs/dbraw/zinc/36/79/95/173367995.db2.gz FTEXMIDWAFNNAX-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094460242 173373934 /nfs/dbraw/zinc/37/39/34/173373934.db2.gz FYJQDRFOWVEZEX-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132958834 173374624 /nfs/dbraw/zinc/37/46/24/173374624.db2.gz ZRSYQZAVMJVZQR-AXFHLTTASA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132959031 173374687 /nfs/dbraw/zinc/37/46/87/173374687.db2.gz ZRSYQZAVMJVZQR-DCAQKATOSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000092133319 173375060 /nfs/dbraw/zinc/37/50/60/173375060.db2.gz UQXFLEHCHIZRGR-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000071146034 173381692 /nfs/dbraw/zinc/38/16/92/173381692.db2.gz DLHBJQSEWMIWGM-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP COCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336713406 174194037 /nfs/dbraw/zinc/19/40/37/174194037.db2.gz VMGVLLFAKOFIPM-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP COCCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309483025 174215999 /nfs/dbraw/zinc/21/59/99/174215999.db2.gz WHLCKMOJWXWZBC-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309483025 174216000 /nfs/dbraw/zinc/21/60/00/174216000.db2.gz WHLCKMOJWXWZBC-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309483025 174216002 /nfs/dbraw/zinc/21/60/02/174216002.db2.gz WHLCKMOJWXWZBC-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309483025 174216003 /nfs/dbraw/zinc/21/60/03/174216003.db2.gz WHLCKMOJWXWZBC-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP COCC[NH+](CCOC)CCn1cc[nH+]c1C ZINC000270619427 174295784 /nfs/dbraw/zinc/29/57/84/174295784.db2.gz CZMURDDFIOHZFH-UHFFFAOYSA-N 2 1 241.335 0.786 20 0 BCADMP COCCOCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126708902 174352157 /nfs/dbraw/zinc/35/21/57/174352157.db2.gz ZIQWGGAGCZICJK-NSHDSACASA-N 2 1 216.325 0.319 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000070531751 174353460 /nfs/dbraw/zinc/35/34/60/174353460.db2.gz AGPVZJDHMWUPRB-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP COCCOCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070481637 174353819 /nfs/dbraw/zinc/35/38/19/174353819.db2.gz WSWDKMZLPRYXEL-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000337505977 174397270 /nfs/dbraw/zinc/39/72/70/174397270.db2.gz FMTPGBBIHGVSGK-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360336179 174712175 /nfs/dbraw/zinc/71/21/75/174712175.db2.gz JALSCVWCABJWKP-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP Cc1[nH+]ccn1CCn1cc(CCCC[NH3+])nn1 ZINC000228374872 487630616 /nfs/dbraw/zinc/63/06/16/487630616.db2.gz NNKHJCHJAAQYAG-UHFFFAOYSA-N 2 1 248.334 0.765 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[NH3+] ZINC000237668601 176070378 /nfs/dbraw/zinc/07/03/78/176070378.db2.gz GNHRANFWBIRYRK-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000019685427 176070436 /nfs/dbraw/zinc/07/04/36/176070436.db2.gz BKRZUJOPRFZKLW-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237399372 176096722 /nfs/dbraw/zinc/09/67/22/176096722.db2.gz KGLFRKHBXXZUCR-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000216233432 176131738 /nfs/dbraw/zinc/13/17/38/176131738.db2.gz IVJSKILOIPFQBO-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1CO ZINC000336703114 176171782 /nfs/dbraw/zinc/17/17/82/176171782.db2.gz KFQFVKIIOFDLDY-RTXFEEFZSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1CO ZINC000336703114 176171784 /nfs/dbraw/zinc/17/17/84/176171784.db2.gz KFQFVKIIOFDLDY-RTXFEEFZSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1CO ZINC000336703114 176171786 /nfs/dbraw/zinc/17/17/86/176171786.db2.gz KFQFVKIIOFDLDY-RTXFEEFZSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1CO ZINC000336703114 176171788 /nfs/dbraw/zinc/17/17/88/176171788.db2.gz KFQFVKIIOFDLDY-RTXFEEFZSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000043497695 176196181 /nfs/dbraw/zinc/19/61/81/176196181.db2.gz ZEIRHQIIQLMJJI-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH3+] ZINC000333948727 176251627 /nfs/dbraw/zinc/25/16/27/176251627.db2.gz WOYYIXBTNDEQIE-OUAUKWLOSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000310353752 176266633 /nfs/dbraw/zinc/26/66/33/176266633.db2.gz QEHAVJJDKOLIPP-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310353752 176266635 /nfs/dbraw/zinc/26/66/35/176266635.db2.gz QEHAVJJDKOLIPP-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310353752 176266636 /nfs/dbraw/zinc/26/66/36/176266636.db2.gz QEHAVJJDKOLIPP-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356758 176267721 /nfs/dbraw/zinc/26/77/21/176267721.db2.gz JNEJUWQHHRHPLY-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919912 176269332 /nfs/dbraw/zinc/26/93/32/176269332.db2.gz OCTUGLDWMBHEFP-RKDXNWHRSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919912 176269334 /nfs/dbraw/zinc/26/93/34/176269334.db2.gz OCTUGLDWMBHEFP-RKDXNWHRSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778660 176269724 /nfs/dbraw/zinc/26/97/24/176269724.db2.gz LXWNTKSMSLDCTP-PWSUYJOCSA-N 2 1 222.336 0.882 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000362740282 176270329 /nfs/dbraw/zinc/27/03/29/176270329.db2.gz HXWWWPLYMZSOIC-WOPDTQHZSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000309492428 176270347 /nfs/dbraw/zinc/27/03/47/176270347.db2.gz SODAOBVFSROPQD-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000309492428 176270348 /nfs/dbraw/zinc/27/03/48/176270348.db2.gz SODAOBVFSROPQD-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000309119909 176271228 /nfs/dbraw/zinc/27/12/28/176271228.db2.gz NEAIWQNCEHJAIE-HLTSFMKQSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+](C)C ZINC000362357095 176271771 /nfs/dbraw/zinc/27/17/71/176271771.db2.gz DNWZTOFXRNJFJR-MNOVXSKESA-N 2 1 227.352 0.252 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877199 176276341 /nfs/dbraw/zinc/27/63/41/176276341.db2.gz RZJVMQKHTCSWBW-GHMZBOCLSA-N 2 1 227.352 0.204 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000300357259 176278244 /nfs/dbraw/zinc/27/82/44/176278244.db2.gz WQWRWMRROWRHED-IMSYWVGJSA-N 2 1 236.306 0.931 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCC[NH2+]CC2)CCO1 ZINC000061274910 176290796 /nfs/dbraw/zinc/29/07/96/176290796.db2.gz HFUHLIDMCZRDIZ-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCC[NH2+]CC2)CCO1 ZINC000061274910 176290797 /nfs/dbraw/zinc/29/07/97/176290797.db2.gz HFUHLIDMCZRDIZ-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000123511704 176292247 /nfs/dbraw/zinc/29/22/47/176292247.db2.gz NNUBDRHUIUQLHG-SECBINFHSA-N 2 1 204.339 0.399 20 0 BCADMP C[C@@H]1COCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336687602 176332756 /nfs/dbraw/zinc/33/27/56/176332756.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H]1COCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336687602 176332757 /nfs/dbraw/zinc/33/27/57/176332757.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336687602 176332758 /nfs/dbraw/zinc/33/27/58/176332758.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCCO)CCN1C ZINC000123703447 176370570 /nfs/dbraw/zinc/37/05/70/176370570.db2.gz KSHFMARJOHHYHU-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCOCCO)CC[N@@H+]1C ZINC000123703447 176370572 /nfs/dbraw/zinc/37/05/72/176370572.db2.gz KSHFMARJOHHYHU-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCOCCO)CC[N@H+]1C ZINC000123703447 176370574 /nfs/dbraw/zinc/37/05/74/176370574.db2.gz KSHFMARJOHHYHU-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000178831649 176372355 /nfs/dbraw/zinc/37/23/55/176372355.db2.gz QYWSQJFQXSKTNP-DGCLKSJQSA-N 2 1 247.342 0.724 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132969972 176372673 /nfs/dbraw/zinc/37/26/73/176372673.db2.gz CGQGCZVXCRJMTL-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000132935821 176374109 /nfs/dbraw/zinc/37/41/09/176374109.db2.gz OKLPOLJOSDOFNG-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336703345 177014913 /nfs/dbraw/zinc/01/49/13/177014913.db2.gz KMEUTIYJLBIVQM-GVXVVHGQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336703345 177014915 /nfs/dbraw/zinc/01/49/15/177014915.db2.gz KMEUTIYJLBIVQM-GVXVVHGQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336703345 177014917 /nfs/dbraw/zinc/01/49/17/177014917.db2.gz KMEUTIYJLBIVQM-GVXVVHGQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336703345 177014918 /nfs/dbraw/zinc/01/49/18/177014918.db2.gz KMEUTIYJLBIVQM-GVXVVHGQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000019685430 177097350 /nfs/dbraw/zinc/09/73/50/177097350.db2.gz RMELCCMFNNDZDI-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2([NH3+])CC2)C1 ZINC000237497741 177097475 /nfs/dbraw/zinc/09/74/75/177097475.db2.gz VCGHZLQITYKZBF-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237498512 177098665 /nfs/dbraw/zinc/09/86/65/177098665.db2.gz RJWZCSDWSCFEJG-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336343915 177157582 /nfs/dbraw/zinc/15/75/82/177157582.db2.gz CWGFRCYRYGTVBG-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000127159550 177175533 /nfs/dbraw/zinc/17/55/33/177175533.db2.gz SJBLJAHBVNDXMC-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH2+]CC1 ZINC000336516378 177185865 /nfs/dbraw/zinc/18/58/65/177185865.db2.gz AHMXZACPQVXXJB-PHIMTYICSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)C[NH3+] ZINC000226402038 177232943 /nfs/dbraw/zinc/23/29/43/177232943.db2.gz VIJIGHPRAMEWKL-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)C[NH3+] ZINC000226402038 177232944 /nfs/dbraw/zinc/23/29/44/177232944.db2.gz VIJIGHPRAMEWKL-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000101601172 177239819 /nfs/dbraw/zinc/23/98/19/177239819.db2.gz KDHJJDXICLPTGG-LNFKQOIKSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331821207 177240112 /nfs/dbraw/zinc/24/01/12/177240112.db2.gz ZGUDSWHAQZDEOW-NGZCFLSTSA-N 2 1 240.351 0.116 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251553588 177279806 /nfs/dbraw/zinc/27/98/06/177279806.db2.gz BJBZIUQQOFKTFN-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@H]1C[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000062613200 177283819 /nfs/dbraw/zinc/28/38/19/177283819.db2.gz UUTVOGVBSIDWBS-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336525825 177307691 /nfs/dbraw/zinc/30/76/91/177307691.db2.gz DELRZYSAFMCPSV-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000336525825 177307694 /nfs/dbraw/zinc/30/76/94/177307694.db2.gz DELRZYSAFMCPSV-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])CCN1C ZINC000357077619 177326919 /nfs/dbraw/zinc/32/69/19/177326919.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077619 177326920 /nfs/dbraw/zinc/32/69/20/177326920.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077619 177326921 /nfs/dbraw/zinc/32/69/21/177326921.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077619 177326922 /nfs/dbraw/zinc/32/69/22/177326922.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077619 177326923 /nfs/dbraw/zinc/32/69/23/177326923.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H](N(C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077619 177326924 /nfs/dbraw/zinc/32/69/24/177326924.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H](N(C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077619 177326925 /nfs/dbraw/zinc/32/69/25/177326925.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[N@H+]1C ZINC000132941710 177328165 /nfs/dbraw/zinc/32/81/65/177328165.db2.gz HTUDXGYCEJBVNO-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCO ZINC000036908336 177331008 /nfs/dbraw/zinc/33/10/08/177331008.db2.gz VMAMVINEFZCCMW-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCCO ZINC000036908377 177332301 /nfs/dbraw/zinc/33/23/01/177332301.db2.gz AUILJWBNYPIDRC-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659933 487641490 /nfs/dbraw/zinc/64/14/90/487641490.db2.gz KTQCAYYXICGKOY-RYUDHWBXSA-N 2 1 237.347 0.339 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000383596265 487643524 /nfs/dbraw/zinc/64/35/24/487643524.db2.gz PDWQAXMQRAQROS-YNEHKIRRSA-N 2 1 244.379 0.702 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000493025394 226106913 /nfs/dbraw/zinc/10/69/13/226106913.db2.gz OPZRNBXRVFNHME-VOTSOKGWSA-N 2 1 239.363 0.657 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/C[NH+](C)C ZINC000493172123 226145790 /nfs/dbraw/zinc/14/57/90/226145790.db2.gz PGNQEPCXNJJDIQ-WAFBPQNNSA-N 2 1 239.363 0.657 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]cn2)CC[N@@H+]1C ZINC000493364568 226196439 /nfs/dbraw/zinc/19/64/39/226196439.db2.gz GSBPOQFHDDMRME-KWKBKKAHSA-N 2 1 248.330 0.974 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000493824458 226255922 /nfs/dbraw/zinc/25/59/22/226255922.db2.gz OQURKDODUXEWPJ-KBIXYVOKSA-N 2 1 237.347 0.267 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494813691 226269941 /nfs/dbraw/zinc/26/99/41/226269941.db2.gz YCOBCBPENMCZCX-GFCCVEGCSA-N 2 1 249.318 0.248 20 0 BCADMP C[C@H](NCC[NH+]1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400330764 226340496 /nfs/dbraw/zinc/34/04/96/226340496.db2.gz BTMWQBFWUIEUOK-RYUDHWBXSA-N 2 1 243.420 0.765 20 0 BCADMP C[C@H](NCC1=CC[N@@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560767 226346356 /nfs/dbraw/zinc/34/63/56/226346356.db2.gz HUKSSWOPPBAOOB-WCQYABFASA-N 3 1 223.364 0.978 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560767 226346358 /nfs/dbraw/zinc/34/63/58/226346358.db2.gz HUKSSWOPPBAOOB-WCQYABFASA-N 3 1 223.364 0.978 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC/C=C\C[NH3+] ZINC000669588491 487657407 /nfs/dbraw/zinc/65/74/07/487657407.db2.gz NBWNQCMADNMVAP-GZTOBOFZSA-N 2 1 242.367 0.529 20 0 BCADMP O[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329315 487657960 /nfs/dbraw/zinc/65/79/60/487657960.db2.gz HAKBZMWXOBCITC-WUHRBBMRSA-N 2 1 224.348 0.689 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660142 /nfs/dbraw/zinc/66/01/42/487660142.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660148 /nfs/dbraw/zinc/66/01/48/487660148.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660152 /nfs/dbraw/zinc/66/01/52/487660152.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CCOCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000082537264 487664402 /nfs/dbraw/zinc/66/44/02/487664402.db2.gz OIYHXKPNVBOQGD-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545995 487669382 /nfs/dbraw/zinc/66/93/82/487669382.db2.gz BXPNVNOKMNZLPR-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000675147480 487672874 /nfs/dbraw/zinc/67/28/74/487672874.db2.gz SKSUMVOXBFYTAB-NHCYSSNCSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)OCC[N@@H+](C)CCOCC[NH3+] ZINC000087978057 487693484 /nfs/dbraw/zinc/69/34/84/487693484.db2.gz YVIXQKHSFZDRFE-UHFFFAOYSA-N 2 1 204.314 0.319 20 0 BCADMP C[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000082772586 487696530 /nfs/dbraw/zinc/69/65/30/487696530.db2.gz LCISADJNEYUEQC-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949783 262772911 /nfs/dbraw/zinc/77/29/11/262772911.db2.gz BHHWLVGBIVJJMF-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[C@H](C)[NH3+] ZINC000399634300 262843029 /nfs/dbraw/zinc/84/30/29/262843029.db2.gz HNRNNKUILQIKRC-SRVKXCTJSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[C@H](C)[NH3+] ZINC000399634300 262843030 /nfs/dbraw/zinc/84/30/30/262843030.db2.gz HNRNNKUILQIKRC-SRVKXCTJSA-N 2 1 241.379 0.768 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)[C@@H]2CCCO2)CC1 ZINC000527757038 262880135 /nfs/dbraw/zinc/88/01/35/262880135.db2.gz CEUREVWRWBVKRK-RYUDHWBXSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](CCCF)CCN1CC[NH2+]CC1 ZINC000088026350 487699648 /nfs/dbraw/zinc/69/96/48/487699648.db2.gz ROQIOQOZCQMBLD-UHFFFAOYSA-N 2 1 203.305 0.183 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403143 487705858 /nfs/dbraw/zinc/70/58/58/487705858.db2.gz LNNXRIFHCDYQRB-WDEREUQCSA-N 2 1 240.351 0.117 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000674244807 487717549 /nfs/dbraw/zinc/71/75/49/487717549.db2.gz WPRMXELVDVERHM-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000674244808 487717798 /nfs/dbraw/zinc/71/77/98/487717798.db2.gz WPRMXELVDVERHM-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336714129 487721430 /nfs/dbraw/zinc/72/14/30/487721430.db2.gz VVOQXJQEHMYUTL-TUAOUCFPSA-N 2 1 212.337 0.953 20 0 BCADMP CC[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082771627 487728616 /nfs/dbraw/zinc/72/86/16/487728616.db2.gz KDSNIWFDGCRKCS-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356395 487730935 /nfs/dbraw/zinc/73/09/35/487730935.db2.gz BXPNVNOKMNZLPR-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000226397354 487731250 /nfs/dbraw/zinc/73/12/50/487731250.db2.gz URFJDLVGNSNWJO-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000226396623 487731357 /nfs/dbraw/zinc/73/13/57/487731357.db2.gz FMROUTSKERTRSO-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC000638146581 487732371 /nfs/dbraw/zinc/73/23/71/487732371.db2.gz HRCVNPCUHHTMSQ-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP C[C@H](CNC(=O)CC1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000226399559 487734155 /nfs/dbraw/zinc/73/41/55/487734155.db2.gz ZHBITDNEGQYLFR-SNVBAGLBSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403714 487734363 /nfs/dbraw/zinc/73/43/63/487734363.db2.gz HOZUDCICINUDKJ-LPEHRKFASA-N 2 1 213.325 0.323 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662851704 487737263 /nfs/dbraw/zinc/73/72/63/487737263.db2.gz CDMJARQJMIABCZ-SNVBAGLBSA-N 2 1 239.363 0.857 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000250680151 487739398 /nfs/dbraw/zinc/73/93/98/487739398.db2.gz XXXZBBWWRRQJPX-TUAOUCFPSA-N 2 1 237.347 0.196 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453490 487741843 /nfs/dbraw/zinc/74/18/43/487741843.db2.gz RXFYIRWIPGXFBJ-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920264 487751876 /nfs/dbraw/zinc/75/18/76/487751876.db2.gz ANKUHDAVIMVPKP-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000251324570 487753642 /nfs/dbraw/zinc/75/36/42/487753642.db2.gz OMHPFRBJLVWDAJ-GRYCIOLGSA-N 2 1 209.337 0.565 20 0 BCADMP CC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401724591 487763289 /nfs/dbraw/zinc/76/32/89/487763289.db2.gz KUGDDPOLOYFDLV-ZWNOBZJWSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251575508 487771359 /nfs/dbraw/zinc/77/13/59/487771359.db2.gz CBKCRSIISMFUFC-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251575508 487771368 /nfs/dbraw/zinc/77/13/68/487771368.db2.gz CBKCRSIISMFUFC-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772693 /nfs/dbraw/zinc/77/26/93/487772693.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772699 /nfs/dbraw/zinc/77/26/99/487772699.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772702 /nfs/dbraw/zinc/77/27/02/487772702.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772708 /nfs/dbraw/zinc/77/27/08/487772708.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251615157 487777534 /nfs/dbraw/zinc/77/75/34/487777534.db2.gz DTDSHGXQDVSXRB-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414745107 487822340 /nfs/dbraw/zinc/82/23/40/487822340.db2.gz PBALKYKNSPEJLI-OUAUKWLOSA-N 2 1 200.326 0.817 20 0 BCADMP CO[C@]1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCOC1 ZINC000229120359 487822660 /nfs/dbraw/zinc/82/26/60/487822660.db2.gz IMQXUQKSDLYBRK-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252799738 487834384 /nfs/dbraw/zinc/83/43/84/487834384.db2.gz TXMFKVOEKPZTEA-OLZOCXBDSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000386382683 487842926 /nfs/dbraw/zinc/84/29/26/487842926.db2.gz DGFALWCJGAOWQR-DCAQKATOSA-N 2 1 225.336 0.385 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000389891711 487844790 /nfs/dbraw/zinc/84/47/90/487844790.db2.gz OAPRNXBACKJOBY-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000089745620 487851050 /nfs/dbraw/zinc/85/10/50/487851050.db2.gz UCABCNRSAFJION-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP COC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000234697832 487856226 /nfs/dbraw/zinc/85/62/26/487856226.db2.gz IRTYMMGYNXFSPS-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000652220539 487884698 /nfs/dbraw/zinc/88/46/98/487884698.db2.gz CPQJWXWVEKFTDY-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655514495 487887223 /nfs/dbraw/zinc/88/72/23/487887223.db2.gz RSPYZXOQZFAGGW-SSDOTTSWSA-N 2 1 241.257 0.334 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000666913128 487903169 /nfs/dbraw/zinc/90/31/69/487903169.db2.gz DOQHNVAJAORCCK-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)O)C1 ZINC000582554319 487916827 /nfs/dbraw/zinc/91/68/27/487916827.db2.gz JQIAJSZTEKLHHI-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000582554319 487916839 /nfs/dbraw/zinc/91/68/39/487916839.db2.gz JQIAJSZTEKLHHI-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000582554319 487916841 /nfs/dbraw/zinc/91/68/41/487916841.db2.gz JQIAJSZTEKLHHI-XQQFMLRXSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157850093 487927031 /nfs/dbraw/zinc/92/70/31/487927031.db2.gz UDPUGIAJTPPTKU-WDEREUQCSA-N 2 1 227.352 0.583 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157850361 487927291 /nfs/dbraw/zinc/92/72/91/487927291.db2.gz UDPUGIAJTPPTKU-QWRGUYRKSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364275 487934129 /nfs/dbraw/zinc/93/41/29/487934129.db2.gz CHWFBXTZCHZGCP-ZJUUUORDSA-N 2 1 234.290 0.688 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364272 487934204 /nfs/dbraw/zinc/93/42/04/487934204.db2.gz CHWFBXTZCHZGCP-NXEZZACHSA-N 2 1 234.290 0.688 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000235227678 487936652 /nfs/dbraw/zinc/93/66/52/487936652.db2.gz TWKJCGDIAOIBMA-BBBLOLIVSA-N 2 1 213.325 0.180 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046113 323005908 /nfs/dbraw/zinc/00/59/08/323005908.db2.gz CIRLLYIUEFXPPU-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046113 323005909 /nfs/dbraw/zinc/00/59/09/323005909.db2.gz CIRLLYIUEFXPPU-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489215 323021206 /nfs/dbraw/zinc/02/12/06/323021206.db2.gz YFHPTMYRXFFLMR-IJLUTSLNSA-N 2 1 241.379 0.770 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])C1CC[NH2+]CC1 ZINC000565146090 323032228 /nfs/dbraw/zinc/03/22/28/323032228.db2.gz ARSUNOUPKLYPIR-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569727843 323039053 /nfs/dbraw/zinc/03/90/53/323039053.db2.gz UVVJLZQVQLDAPO-UWVGGRQHSA-N 2 1 215.341 0.569 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@@H](C)C1 ZINC000569738335 323039404 /nfs/dbraw/zinc/03/94/04/323039404.db2.gz AWDRMPHOTXHAPS-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000569738335 323039405 /nfs/dbraw/zinc/03/94/05/323039405.db2.gz AWDRMPHOTXHAPS-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000569817761 323041709 /nfs/dbraw/zinc/04/17/09/323041709.db2.gz YACXIUPNAGPLIC-MNOVXSKESA-N 2 1 230.377 0.802 20 0 BCADMP C[NH2+]CCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000569817761 323041710 /nfs/dbraw/zinc/04/17/10/323041710.db2.gz YACXIUPNAGPLIC-MNOVXSKESA-N 2 1 230.377 0.802 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569938105 323044924 /nfs/dbraw/zinc/04/49/24/323044924.db2.gz SFWJSRACXGTVNB-VHSXEESVSA-N 2 1 214.309 0.751 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000570424833 323059321 /nfs/dbraw/zinc/05/93/21/323059321.db2.gz SRUVHBWUHTZWGV-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000570424833 323059322 /nfs/dbraw/zinc/05/93/22/323059322.db2.gz SRUVHBWUHTZWGV-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000570424833 323059323 /nfs/dbraw/zinc/05/93/23/323059323.db2.gz SRUVHBWUHTZWGV-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000570918474 323074217 /nfs/dbraw/zinc/07/42/17/323074217.db2.gz PGJTZEDQVLDDFD-NWDGAFQWSA-N 2 1 213.369 0.914 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928629 323074492 /nfs/dbraw/zinc/07/44/92/323074492.db2.gz KQKIFOUDFQTXGP-NSHDSACASA-N 2 1 228.336 0.320 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503509 323089896 /nfs/dbraw/zinc/08/98/96/323089896.db2.gz SRCSQMGRXBSMRJ-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109163 323092997 /nfs/dbraw/zinc/09/29/97/323092997.db2.gz ZMFXUZICBYECDK-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000563149772 323095534 /nfs/dbraw/zinc/09/55/34/323095534.db2.gz JAPIMKKUFQTYIH-GFCCVEGCSA-N 2 1 238.335 0.981 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000563160312 323097393 /nfs/dbraw/zinc/09/73/93/323097393.db2.gz JLLMYQMDIYQLSH-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000061678259 323099982 /nfs/dbraw/zinc/09/99/82/323099982.db2.gz FEUHBORYGQBLEG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000061678259 323099983 /nfs/dbraw/zinc/09/99/83/323099983.db2.gz FEUHBORYGQBLEG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cncn1C ZINC000401651733 323105131 /nfs/dbraw/zinc/10/51/31/323105131.db2.gz QIIMSLKCPGIWID-DGCLKSJQSA-N 2 1 236.363 0.892 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000563337703 323119138 /nfs/dbraw/zinc/11/91/38/323119138.db2.gz YGNAKVFNNBLBOG-RKDXNWHRSA-N 2 1 249.305 0.604 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000563363517 323120978 /nfs/dbraw/zinc/12/09/78/323120978.db2.gz IYVPSJSYIGZNMP-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000563363517 323120979 /nfs/dbraw/zinc/12/09/79/323120979.db2.gz IYVPSJSYIGZNMP-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000563363517 323120980 /nfs/dbraw/zinc/12/09/80/323120980.db2.gz IYVPSJSYIGZNMP-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000563363517 323120981 /nfs/dbraw/zinc/12/09/81/323120981.db2.gz IYVPSJSYIGZNMP-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132477 /nfs/dbraw/zinc/13/24/77/323132477.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310553649 323133308 /nfs/dbraw/zinc/13/33/08/323133308.db2.gz HEHGQRZUHNNBSW-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900547 323151893 /nfs/dbraw/zinc/15/18/93/323151893.db2.gz DWBYTMOKSKSADM-CHWSQXEVSA-N 3 1 225.380 0.965 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)C(=O)N(C)C ZINC000535034817 323164170 /nfs/dbraw/zinc/16/41/70/323164170.db2.gz RUHIJLVHXNOYOT-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000563887828 323183417 /nfs/dbraw/zinc/18/34/17/323183417.db2.gz DAAYBKHZEDFAKP-IVZWLZJFSA-N 2 1 243.376 0.283 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000532217327 323208946 /nfs/dbraw/zinc/20/89/46/323208946.db2.gz NKLZAEALNIAYII-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCC[NH2+]1 ZINC000530219279 323218042 /nfs/dbraw/zinc/21/80/42/323218042.db2.gz JCFJSWMPXJWOJP-QTAHKJALSA-N 2 1 210.321 0.896 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385414 323365151 /nfs/dbraw/zinc/36/51/51/323365151.db2.gz DYRNIHRUCHXDMV-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385414 323365153 /nfs/dbraw/zinc/36/51/53/323365153.db2.gz DYRNIHRUCHXDMV-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000309416152 323395495 /nfs/dbraw/zinc/39/54/95/323395495.db2.gz XHYFGQXQVATDMR-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000309416152 323395500 /nfs/dbraw/zinc/39/55/00/323395500.db2.gz XHYFGQXQVATDMR-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000309416152 323395502 /nfs/dbraw/zinc/39/55/02/323395502.db2.gz XHYFGQXQVATDMR-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000309416152 323395507 /nfs/dbraw/zinc/39/55/07/323395507.db2.gz XHYFGQXQVATDMR-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](CC(=O)N1CCN(C)CC1)C1CC1 ZINC000093159167 324037136 /nfs/dbraw/zinc/03/71/36/324037136.db2.gz NBCDCKWVFUABRL-UHFFFAOYSA-N 2 1 239.363 0.633 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000520814263 324109984 /nfs/dbraw/zinc/10/99/84/324109984.db2.gz JEFDMTHISRJYRY-YNEHKIRRSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000520814263 324109985 /nfs/dbraw/zinc/10/99/85/324109985.db2.gz JEFDMTHISRJYRY-YNEHKIRRSA-N 2 1 241.379 0.424 20 0 BCADMP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000520813066 324110023 /nfs/dbraw/zinc/11/00/23/324110023.db2.gz PJYTWWHYKQOEOA-ZJUUUORDSA-N 2 1 238.339 0.332 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000520813066 324110025 /nfs/dbraw/zinc/11/00/25/324110025.db2.gz PJYTWWHYKQOEOA-ZJUUUORDSA-N 2 1 238.339 0.332 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000520814261 324110199 /nfs/dbraw/zinc/11/01/99/324110199.db2.gz JEFDMTHISRJYRY-JHJVBQTASA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000520814261 324110204 /nfs/dbraw/zinc/11/02/04/324110204.db2.gz JEFDMTHISRJYRY-JHJVBQTASA-N 2 1 241.379 0.424 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000572523760 324190119 /nfs/dbraw/zinc/19/01/19/324190119.db2.gz LZWLEWQSYCBGDC-YNEHKIRRSA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000572523760 324190123 /nfs/dbraw/zinc/19/01/23/324190123.db2.gz LZWLEWQSYCBGDC-YNEHKIRRSA-N 2 1 242.363 0.335 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C ZINC000195316612 324202267 /nfs/dbraw/zinc/20/22/67/324202267.db2.gz YOBAFWSYEHFQDR-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CC=CCC1 ZINC000529222362 324262328 /nfs/dbraw/zinc/26/23/28/324262328.db2.gz MBUXHLUAMMQGGO-UHFFFAOYSA-N 2 1 248.330 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000529222362 324262332 /nfs/dbraw/zinc/26/23/32/324262332.db2.gz MBUXHLUAMMQGGO-UHFFFAOYSA-N 2 1 248.330 0.570 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565150892 325862554 /nfs/dbraw/zinc/86/25/54/325862554.db2.gz MLEFNPWOPKTYRY-IUCAKERBSA-N 2 1 247.289 0.038 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190354 326009621 /nfs/dbraw/zinc/00/96/21/326009621.db2.gz TYRLZXOOZXCAMB-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000566233418 326019921 /nfs/dbraw/zinc/01/99/21/326019921.db2.gz JPDRYCBIKYLHCM-OLZOCXBDSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CC(O)C1)C1CC1 ZINC000566231736 326019906 /nfs/dbraw/zinc/01/99/06/326019906.db2.gz STRLXWNPCHTZMZ-GDKBPFBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CC(O)C1)C1CC1 ZINC000566231736 326019908 /nfs/dbraw/zinc/01/99/08/326019908.db2.gz STRLXWNPCHTZMZ-GDKBPFBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](CCOC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000566245622 326022564 /nfs/dbraw/zinc/02/25/64/326022564.db2.gz YNQGJYNJIIDTEY-MCIGGMRASA-N 2 1 228.336 0.604 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCNC1=O ZINC000566246068 326022878 /nfs/dbraw/zinc/02/28/78/326022878.db2.gz FNAXAZAZLBRHAU-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000566246068 326022881 /nfs/dbraw/zinc/02/28/81/326022881.db2.gz FNAXAZAZLBRHAU-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000566248550 326023589 /nfs/dbraw/zinc/02/35/89/326023589.db2.gz DMVSEYBCDXZTHA-NWDGAFQWSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412293 326041025 /nfs/dbraw/zinc/04/10/25/326041025.db2.gz DWSPMIBWYDANHM-UPJWGTAASA-N 2 1 241.379 0.519 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566412411 326041045 /nfs/dbraw/zinc/04/10/45/326041045.db2.gz VVXJQGGKRWRZRQ-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000566461032 326051237 /nfs/dbraw/zinc/05/12/37/326051237.db2.gz NTBAMGIFJLDLDS-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000566461032 326051240 /nfs/dbraw/zinc/05/12/40/326051240.db2.gz NTBAMGIFJLDLDS-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000566461032 326051243 /nfs/dbraw/zinc/05/12/43/326051243.db2.gz NTBAMGIFJLDLDS-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000566461032 326051246 /nfs/dbraw/zinc/05/12/46/326051246.db2.gz NTBAMGIFJLDLDS-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000566491382 326058144 /nfs/dbraw/zinc/05/81/44/326058144.db2.gz SOCGYPOKWCGMNB-QWHCGFSZSA-N 2 1 245.326 0.430 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000566491382 326058146 /nfs/dbraw/zinc/05/81/46/326058146.db2.gz SOCGYPOKWCGMNB-QWHCGFSZSA-N 2 1 245.326 0.430 20 0 BCADMP CC[NH+]1C[C@H](C)N(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000566570267 326065211 /nfs/dbraw/zinc/06/52/11/326065211.db2.gz GPISUDVFHLTUID-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP CC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC000566736686 326078406 /nfs/dbraw/zinc/07/84/06/326078406.db2.gz LYYWQYFFLIBAAK-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796805 326083984 /nfs/dbraw/zinc/08/39/84/326083984.db2.gz JFUGDBMYCQYBJT-NSHDSACASA-N 3 1 211.353 0.670 20 0 BCADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCNCC1 ZINC000566796805 326083986 /nfs/dbraw/zinc/08/39/86/326083986.db2.gz JFUGDBMYCQYBJT-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCNCC1 ZINC000566796805 326083988 /nfs/dbraw/zinc/08/39/88/326083988.db2.gz JFUGDBMYCQYBJT-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000567159326 326125559 /nfs/dbraw/zinc/12/55/59/326125559.db2.gz GBPQUCCNUZKTFK-STQMWFEESA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000309823349 326170431 /nfs/dbraw/zinc/17/04/31/326170431.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000309823349 326170433 /nfs/dbraw/zinc/17/04/33/326170433.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000309823349 326170435 /nfs/dbraw/zinc/17/04/35/326170435.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309823349 326170438 /nfs/dbraw/zinc/17/04/38/326170438.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309823349 326170439 /nfs/dbraw/zinc/17/04/39/326170439.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)N(C)CCC[NH3+] ZINC000567409116 326185213 /nfs/dbraw/zinc/18/52/13/326185213.db2.gz RCFPHPCAHGZRHF-UHFFFAOYSA-N 2 1 239.323 0.182 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)Cn1ccnc1 ZINC000567413136 326185842 /nfs/dbraw/zinc/18/58/42/326185842.db2.gz MYNDIDJMTGBOFK-UHFFFAOYSA-N 2 1 238.335 0.731 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310250747 326188252 /nfs/dbraw/zinc/18/82/52/326188252.db2.gz NZJXIZZAWVUTME-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc[nH]n1 ZINC000567505302 326206588 /nfs/dbraw/zinc/20/65/88/326206588.db2.gz ULGGUHPVPOODIF-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP CCC[C@H](C(=O)NCC[N@@H+](C)CC)[NH+](C)C ZINC000155882153 326213662 /nfs/dbraw/zinc/21/36/62/326213662.db2.gz SZRBUJDTSPCUBO-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000567589773 326224780 /nfs/dbraw/zinc/22/47/80/326224780.db2.gz DMVSEYBCDXZTHA-VXGBXAGGSA-N 2 1 248.330 0.292 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000567652876 326239216 /nfs/dbraw/zinc/23/92/16/326239216.db2.gz FCBAWFDMPVDZNE-NEPJUHHUSA-N 2 1 237.351 0.788 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000567685195 326244760 /nfs/dbraw/zinc/24/47/60/326244760.db2.gz XDLNMOPTZAKMAT-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)[C@@H](C)CN ZINC000567736088 326253156 /nfs/dbraw/zinc/25/31/56/326253156.db2.gz HBLZKBNTWPZJHL-VIFPVBQESA-N 2 1 201.314 0.134 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@@H](C)CN ZINC000567736088 326253157 /nfs/dbraw/zinc/25/31/57/326253157.db2.gz HBLZKBNTWPZJHL-VIFPVBQESA-N 2 1 201.314 0.134 20 0 BCADMP [NH3+]Cc1noc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC000567850365 326270511 /nfs/dbraw/zinc/27/05/11/326270511.db2.gz ZVTQNGHSTYTVCR-UHFFFAOYSA-N 2 1 216.244 0.799 20 0 BCADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)CC(N)=O ZINC000314378333 326298454 /nfs/dbraw/zinc/29/84/54/326298454.db2.gz QUWUAFCASZMCRY-UHFFFAOYSA-N 2 1 238.335 0.596 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)[NH+](C)C ZINC000158276718 326314738 /nfs/dbraw/zinc/31/47/38/326314738.db2.gz FVUQJBHQWRSMFF-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000568247395 326333872 /nfs/dbraw/zinc/33/38/72/326333872.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000568294406 326342629 /nfs/dbraw/zinc/34/26/29/326342629.db2.gz QTOUKRLDUAFYQJ-JTQLQIEISA-N 2 1 240.351 0.132 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568393287 326353680 /nfs/dbraw/zinc/35/36/80/326353680.db2.gz PUFMYOYKIPUUGR-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000568396835 326354375 /nfs/dbraw/zinc/35/43/75/326354375.db2.gz YJDHPQAXDVAZFD-LBPRGKRZSA-N 2 1 235.335 0.354 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000568396835 326354376 /nfs/dbraw/zinc/35/43/76/326354376.db2.gz YJDHPQAXDVAZFD-LBPRGKRZSA-N 2 1 235.335 0.354 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000568747761 326374657 /nfs/dbraw/zinc/37/46/57/326374657.db2.gz MGPLAEDULRTXIL-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000569232715 326396461 /nfs/dbraw/zinc/39/64/61/326396461.db2.gz JSEZPZQBVPSFFV-PWSUYJOCSA-N 2 1 244.404 0.950 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396627626 487989322 /nfs/dbraw/zinc/98/93/22/487989322.db2.gz CKWZFCNEUXOYEZ-VXGBXAGGSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC(=O)N1 ZINC000400929202 487995043 /nfs/dbraw/zinc/99/50/43/487995043.db2.gz NHGBFYOQYRKGAG-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC(=O)N1 ZINC000400929202 487995047 /nfs/dbraw/zinc/99/50/47/487995047.db2.gz NHGBFYOQYRKGAG-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](CO)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221225 488002884 /nfs/dbraw/zinc/00/28/84/488002884.db2.gz DMKMGOLAUFXACX-ZDUSSCGKSA-N 2 1 245.411 0.430 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740791 488003710 /nfs/dbraw/zinc/00/37/10/488003710.db2.gz PSHGXIVELLKIKV-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000309646838 488010201 /nfs/dbraw/zinc/01/02/01/488010201.db2.gz QUOLQNFYGUVIPW-BETUJISGSA-N 2 1 224.348 0.954 20 0 BCADMP CC[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000147487864 488029349 /nfs/dbraw/zinc/02/93/49/488029349.db2.gz KFUSVCMDECNJGF-RYUDHWBXSA-N 2 1 222.336 0.942 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655450331 488041021 /nfs/dbraw/zinc/04/10/21/488041021.db2.gz KNBAEZGKKZCBJG-WCQYABFASA-N 2 1 237.347 0.150 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@H]21 ZINC000663493926 488043366 /nfs/dbraw/zinc/04/33/66/488043366.db2.gz DUDLJDMNDCDRMH-KSTCHIGDSA-N 3 1 235.375 0.655 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@]34C[C@@H]3C[NH2+]C4)C[C@H]21 ZINC000663493926 488043368 /nfs/dbraw/zinc/04/33/68/488043368.db2.gz DUDLJDMNDCDRMH-KSTCHIGDSA-N 2 1 235.375 0.655 20 0 BCADMP CC[C@@H](C)[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298597 488046762 /nfs/dbraw/zinc/04/67/62/488046762.db2.gz XGPWPQZCSOUAKD-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000663499947 488049245 /nfs/dbraw/zinc/04/92/45/488049245.db2.gz HACKMMNQUCMESZ-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000663499947 488049248 /nfs/dbraw/zinc/04/92/48/488049248.db2.gz HACKMMNQUCMESZ-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669490896 488053079 /nfs/dbraw/zinc/05/30/79/488053079.db2.gz DJRGPWUVTNAXKJ-KOLCDFICSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000401948116 488073989 /nfs/dbraw/zinc/07/39/89/488073989.db2.gz XPVIIOLKMDIJPQ-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401948116 488073996 /nfs/dbraw/zinc/07/39/96/488073996.db2.gz XPVIIOLKMDIJPQ-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401948116 488074000 /nfs/dbraw/zinc/07/40/00/488074000.db2.gz XPVIIOLKMDIJPQ-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401948116 488074005 /nfs/dbraw/zinc/07/40/05/488074005.db2.gz XPVIIOLKMDIJPQ-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401948116 488074010 /nfs/dbraw/zinc/07/40/10/488074010.db2.gz XPVIIOLKMDIJPQ-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000236648916 488079515 /nfs/dbraw/zinc/07/95/15/488079515.db2.gz ZTONQKZDYLOAPI-UHFFFAOYSA-N 2 1 213.325 0.195 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673061 488079687 /nfs/dbraw/zinc/07/96/87/488079687.db2.gz IYBFLBZIVWCTJH-RYUDHWBXSA-N 3 1 209.337 0.281 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673061 488079692 /nfs/dbraw/zinc/07/96/92/488079692.db2.gz IYBFLBZIVWCTJH-RYUDHWBXSA-N 3 1 209.337 0.281 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000257681649 488081101 /nfs/dbraw/zinc/08/11/01/488081101.db2.gz JGBLDGGDHUWYAA-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000257770253 488087132 /nfs/dbraw/zinc/08/71/32/488087132.db2.gz KMQFBXDCJFBXEU-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000389442419 488096976 /nfs/dbraw/zinc/09/69/76/488096976.db2.gz OFEFDNIUMULFMV-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237052752 488101614 /nfs/dbraw/zinc/10/16/14/488101614.db2.gz ILQMUVYMCQHWCY-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662450 488104883 /nfs/dbraw/zinc/10/48/83/488104883.db2.gz SDKKBSRBSCPWJT-YPMHNXCESA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664982 488105897 /nfs/dbraw/zinc/10/58/97/488105897.db2.gz SVTUSMVGTSHXGT-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664979 488105989 /nfs/dbraw/zinc/10/59/89/488105989.db2.gz SVTUSMVGTSHXGT-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000160268826 488120313 /nfs/dbraw/zinc/12/03/13/488120313.db2.gz LDTDRTAAYATPFB-GFCCVEGCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579501 488122916 /nfs/dbraw/zinc/12/29/16/488122916.db2.gz PUQBFPLSUUPFIO-WDEREUQCSA-N 2 1 240.351 0.132 20 0 BCADMP CC[NH+]1CCC([NH2+]C2([C@@H](C)O)CC2)CC1 ZINC000668699244 488130136 /nfs/dbraw/zinc/13/01/36/488130136.db2.gz NFLBDXFAJGBWSW-SNVBAGLBSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000674263834 487538197 /nfs/dbraw/zinc/53/81/97/487538197.db2.gz PCMYYCNBNCVSCB-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+](C)C ZINC000674263832 487541223 /nfs/dbraw/zinc/54/12/23/487541223.db2.gz PCMYYCNBNCVSCB-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569972 487543764 /nfs/dbraw/zinc/54/37/64/487543764.db2.gz VHYPBISIMULYNO-VIFPVBQESA-N 2 1 237.303 0.562 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288563 487544137 /nfs/dbraw/zinc/54/41/37/487544137.db2.gz GHEKWEWLIBUUKE-GARJFASQSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288647 487549493 /nfs/dbraw/zinc/54/94/93/487549493.db2.gz GYZDJBLWVRFVIG-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000674289835 487551705 /nfs/dbraw/zinc/55/17/05/487551705.db2.gz XBENFMBNQYXGDJ-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237506881 487478997 /nfs/dbraw/zinc/47/89/97/487478997.db2.gz RIAGQNPMJIUTBD-NXEZZACHSA-N 2 1 239.363 0.855 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@@H+](C)C1CC1 ZINC000062010201 487492451 /nfs/dbraw/zinc/49/24/51/487492451.db2.gz IQQPNKHUCJQEHG-UHFFFAOYSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243805 490041049 /nfs/dbraw/zinc/04/10/49/490041049.db2.gz KGKNFTAOHXSOAC-UTUOFQBUSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243805 490041053 /nfs/dbraw/zinc/04/10/53/490041053.db2.gz KGKNFTAOHXSOAC-UTUOFQBUSA-N 2 1 239.363 0.177 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000309217115 488059942 /nfs/dbraw/zinc/05/99/42/488059942.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000309217115 488059945 /nfs/dbraw/zinc/05/99/45/488059945.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309217115 488059949 /nfs/dbraw/zinc/05/99/49/488059949.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309217115 488059952 /nfs/dbraw/zinc/05/99/52/488059952.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000669520165 488137205 /nfs/dbraw/zinc/13/72/05/488137205.db2.gz RIHSPFUOTUDPFI-NSHDSACASA-N 2 1 243.326 0.418 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677974110 488167932 /nfs/dbraw/zinc/16/79/32/488167932.db2.gz DYPXJRJTGKGGEX-UTUOFQBUSA-N 2 1 241.379 0.878 20 0 BCADMP Cc1ncsc1CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000380070771 488171641 /nfs/dbraw/zinc/17/16/41/488171641.db2.gz DGDBQXKKRFHVTM-SECBINFHSA-N 2 1 229.349 0.245 20 0 BCADMP Cc1ncsc1CC[N@H+](C)C[C@H](O)C[NH3+] ZINC000380070771 488171648 /nfs/dbraw/zinc/17/16/48/488171648.db2.gz DGDBQXKKRFHVTM-SECBINFHSA-N 2 1 229.349 0.245 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990837 488178793 /nfs/dbraw/zinc/17/87/93/488178793.db2.gz YOZZOPIXQGNBKS-UPJWGTAASA-N 2 1 240.347 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990837 488178797 /nfs/dbraw/zinc/17/87/97/488178797.db2.gz YOZZOPIXQGNBKS-UPJWGTAASA-N 2 1 240.347 0.210 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167657948 488183407 /nfs/dbraw/zinc/18/34/07/488183407.db2.gz OEKLIGVBHPNHIR-LLVKDONJSA-N 2 1 239.363 0.572 20 0 BCADMP CC[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000037477085 488186473 /nfs/dbraw/zinc/18/64/73/488186473.db2.gz JLGPLBKPRLGUHR-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477078 488186544 /nfs/dbraw/zinc/18/65/44/488186544.db2.gz OVVXFTIPXBBPFR-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322616933 488193277 /nfs/dbraw/zinc/19/32/77/488193277.db2.gz QILRNJUEPSPWQU-WAAKLRNESA-N 2 1 239.363 0.583 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903444 488193992 /nfs/dbraw/zinc/19/39/92/488193992.db2.gz DTNMGZYMBZRQCI-IJLUTSLNSA-N 2 1 212.337 0.953 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903443 488194153 /nfs/dbraw/zinc/19/41/53/488194153.db2.gz DTNMGZYMBZRQCI-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000398109415 488211051 /nfs/dbraw/zinc/21/10/51/488211051.db2.gz WSUIFRNTOWYCSV-QWRGUYRKSA-N 2 1 237.347 0.611 20 0 BCADMP [NH3+]C1(CC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000398240050 488215692 /nfs/dbraw/zinc/21/56/92/488215692.db2.gz YGOVAVURFQOMJK-UHFFFAOYSA-N 2 1 223.320 0.174 20 0 BCADMP CN(C)C(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000683897780 488239320 /nfs/dbraw/zinc/23/93/20/488239320.db2.gz BTSGDPFFGLTISY-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000678343266 488243246 /nfs/dbraw/zinc/24/32/46/488243246.db2.gz OXOKDWALTUYILM-BETUJISGSA-N 2 1 246.358 0.799 20 0 BCADMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000678343266 488243249 /nfs/dbraw/zinc/24/32/49/488243249.db2.gz OXOKDWALTUYILM-BETUJISGSA-N 2 1 246.358 0.799 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000652350132 490190381 /nfs/dbraw/zinc/19/03/81/490190381.db2.gz HOGPFDXNGRNFOJ-AVGNSLFASA-N 3 1 223.364 0.657 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078741696 490225253 /nfs/dbraw/zinc/22/52/53/490225253.db2.gz SYGLIPDJAKRTEC-JTQLQIEISA-N 2 1 215.341 0.393 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+]3CC[C@H]2C3)CC[N@H+]1C ZINC000615573428 490240688 /nfs/dbraw/zinc/24/06/88/490240688.db2.gz NKEKDFNAMDMZOX-GRYCIOLGSA-N 2 1 237.347 0.243 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663499315 490451415 /nfs/dbraw/zinc/45/14/15/490451415.db2.gz VSXKCACDKXCSTH-NOOOWODRSA-N 3 1 209.337 0.184 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000227236165 490685440 /nfs/dbraw/zinc/68/54/40/490685440.db2.gz RMXMQDFBIUWFDN-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000227236165 490685444 /nfs/dbraw/zinc/68/54/44/490685444.db2.gz RMXMQDFBIUWFDN-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000393776561 490689488 /nfs/dbraw/zinc/68/94/88/490689488.db2.gz YGMGWICYUNKRQU-WDEREUQCSA-N 2 1 230.377 0.396 20 0 BCADMP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000307933750 491134211 /nfs/dbraw/zinc/13/42/11/491134211.db2.gz DVCZUURBLFROHW-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000307933750 491134212 /nfs/dbraw/zinc/13/42/12/491134212.db2.gz DVCZUURBLFROHW-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)c2ccccc21 ZINC000132128294 491134982 /nfs/dbraw/zinc/13/49/82/491134982.db2.gz BAJPNHYSKNOIRM-ZWKOPEQDSA-N 2 1 245.326 0.999 20 0 BCADMP Nc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000309551007 491151241 /nfs/dbraw/zinc/15/12/41/491151241.db2.gz KCXNQQVPDUGVQO-GHMZBOCLSA-N 2 1 218.304 0.315 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305550 535516792 /nfs/dbraw/zinc/51/67/92/535516792.db2.gz QMOXPOXRGSEDRX-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400438626 533858787 /nfs/dbraw/zinc/85/87/87/533858787.db2.gz LVOABESDBLMUGI-NWDGAFQWSA-N 3 1 229.368 0.295 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403216 582678598 /nfs/dbraw/zinc/67/85/98/582678598.db2.gz KEHSIRDJHFPOOX-DCAQKATOSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400768848 534068369 /nfs/dbraw/zinc/06/83/69/534068369.db2.gz ZSBUBHFNCMYSGA-UPJWGTAASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)C ZINC000174591562 534226355 /nfs/dbraw/zinc/22/63/55/534226355.db2.gz CUXSEAFVQSXQGU-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000493557576 534276068 /nfs/dbraw/zinc/27/60/68/534276068.db2.gz PWDAVZFXGLFKEU-MRJODMTISA-N 2 1 239.363 0.655 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(CC(C)(C)[NH3+])[C@H]2C1 ZINC000261585451 536463943 /nfs/dbraw/zinc/46/39/43/536463943.db2.gz QJHVIEUNCJXKAU-MNOVXSKESA-N 2 1 211.353 0.750 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400417380 527742272 /nfs/dbraw/zinc/74/22/72/527742272.db2.gz VOIABIILGZDGOS-GMTAPVOTSA-N 2 1 200.326 0.733 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000309032790 527801901 /nfs/dbraw/zinc/80/19/01/527801901.db2.gz FZFFEUOCBCYWMG-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000309032790 527801904 /nfs/dbraw/zinc/80/19/04/527801904.db2.gz FZFFEUOCBCYWMG-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309032790 527801906 /nfs/dbraw/zinc/80/19/06/527801906.db2.gz FZFFEUOCBCYWMG-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494900322 527818518 /nfs/dbraw/zinc/81/85/18/527818518.db2.gz JBDXAQLFIDTMLL-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494689349 527823984 /nfs/dbraw/zinc/82/39/84/527823984.db2.gz HAYQJJYSVAOWPC-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000493937163 528347450 /nfs/dbraw/zinc/34/74/50/528347450.db2.gz NZAVLNHSGDTWOD-GHMZBOCLSA-N 2 1 229.368 0.818 20 0 BCADMP CCC[NH2+]CC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000496819286 528509605 /nfs/dbraw/zinc/50/96/05/528509605.db2.gz VRJWEYZFQQYSIY-UHFFFAOYSA-N 2 1 243.351 0.806 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000168724245 535135430 /nfs/dbraw/zinc/13/54/30/535135430.db2.gz CNRKVBWQFYTQAV-GFCCVEGCSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000166354519 535174992 /nfs/dbraw/zinc/17/49/92/535174992.db2.gz HYAFWPUHZFKSDY-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)([NH3+])CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335284618 535201961 /nfs/dbraw/zinc/20/19/61/535201961.db2.gz GDMSKORZMOFGNJ-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261798778 535228245 /nfs/dbraw/zinc/22/82/45/535228245.db2.gz OAEVIGOCPYZGOG-YPMHNXCESA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261798778 535228247 /nfs/dbraw/zinc/22/82/47/535228247.db2.gz OAEVIGOCPYZGOG-YPMHNXCESA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261569683 535316064 /nfs/dbraw/zinc/31/60/64/535316064.db2.gz GKNYJVANSAIDNV-ZETCQYMHSA-N 2 1 223.267 0.070 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168550598 535434596 /nfs/dbraw/zinc/43/45/96/535434596.db2.gz IDQGFMOBRNHKDI-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168550598 535434605 /nfs/dbraw/zinc/43/46/05/535434605.db2.gz IDQGFMOBRNHKDI-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929268 535481183 /nfs/dbraw/zinc/48/11/83/535481183.db2.gz YRZLHLMXRNVANT-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[NH+](CC)CCC[N@H+](CCO)C[C@H](C)O ZINC000351949039 535507407 /nfs/dbraw/zinc/50/74/07/535507407.db2.gz LDLJVBPXWYIATE-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](CCO)C[C@H](C)O ZINC000351949039 535507413 /nfs/dbraw/zinc/50/74/13/535507413.db2.gz LDLJVBPXWYIATE-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433434 535560124 /nfs/dbraw/zinc/56/01/24/535560124.db2.gz LSAZYPIATNNIAL-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367204 535577807 /nfs/dbraw/zinc/57/78/07/535577807.db2.gz UEPRILLIBJGIPC-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168566675 535648798 /nfs/dbraw/zinc/64/87/98/535648798.db2.gz CAACEFVLEPLWMD-VWYCJHECSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168566675 535648801 /nfs/dbraw/zinc/64/88/01/535648801.db2.gz CAACEFVLEPLWMD-VWYCJHECSA-N 2 1 228.336 0.997 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262225861 535753493 /nfs/dbraw/zinc/75/34/93/535753493.db2.gz LGKYFJFEXHVCAQ-SNVBAGLBSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335939358 535942202 /nfs/dbraw/zinc/94/22/02/535942202.db2.gz FLAFIJACXINVNH-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+](CCCF)CCCN1CC[NH+](C)CC1 ZINC000182952655 536342039 /nfs/dbraw/zinc/34/20/39/536342039.db2.gz IMFWTESJERTHGV-UHFFFAOYSA-N 2 1 231.359 0.915 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000335928317 536345646 /nfs/dbraw/zinc/34/56/46/536345646.db2.gz SSBZLXOTEFKPFF-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001028 536384423 /nfs/dbraw/zinc/38/44/23/536384423.db2.gz YSZZOGVRZPJSNQ-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335970505 536390432 /nfs/dbraw/zinc/39/04/32/536390432.db2.gz ZFLRMJCSSLZFMJ-RYUDHWBXSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540043 536391268 /nfs/dbraw/zinc/39/12/68/536391268.db2.gz DCOLRPRIGZQOBA-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000227711670 536854469 /nfs/dbraw/zinc/85/44/69/536854469.db2.gz MVMGRKJPDCPJBB-QNWHQSFQSA-N 2 1 244.379 0.966 20 0 BCADMP COCCOC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892757338 582976755 /nfs/dbraw/zinc/97/67/55/582976755.db2.gz IFGBMTNWXRWMIP-NSHDSACASA-N 2 1 241.335 0.833 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CCCCC[NH3+] ZINC000224044436 583182277 /nfs/dbraw/zinc/18/22/77/583182277.db2.gz ZNIQKAGSKARXSC-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP Cc1cc(N)nc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000893855825 583232946 /nfs/dbraw/zinc/23/29/46/583232946.db2.gz GSXIMHWFRGQTBK-QMMMGPOBSA-N 2 1 209.297 0.729 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853096898 588719585 /nfs/dbraw/zinc/71/95/85/588719585.db2.gz OXYDZKBLCCDDLS-CYBMUJFWSA-N 2 1 235.331 0.799 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403219 582678487 /nfs/dbraw/zinc/67/84/87/582678487.db2.gz KEHSIRDJHFPOOX-OUAUKWLOSA-N 2 1 240.351 0.117 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCCNC(=O)C2)CC1 ZINC000891810842 582725069 /nfs/dbraw/zinc/72/50/69/582725069.db2.gz XQMVBQUOYVSOMC-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)([NH3+])CCNC(=O)NCC(F)(F)C[NH3+] ZINC000892064996 582781827 /nfs/dbraw/zinc/78/18/27/582781827.db2.gz JTIYAMUJTAHUIG-UHFFFAOYSA-N 2 1 238.282 0.007 20 0 BCADMP C[C@@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@H](C)[NH3+] ZINC000892147833 582801004 /nfs/dbraw/zinc/80/10/04/582801004.db2.gz WZFXSJCQAAOHFF-VHSXEESVSA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892148250 582801790 /nfs/dbraw/zinc/80/17/90/582801790.db2.gz WLEJZWKPBZRVMW-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034570 582835981 /nfs/dbraw/zinc/83/59/81/582835981.db2.gz YTMVSIPQSRJDMF-LLVKDONJSA-N 2 1 242.367 0.357 20 0 BCADMP Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000135266878 582871539 /nfs/dbraw/zinc/87/15/39/582871539.db2.gz AQDFQBWLBXMOPC-AOOOYVTPSA-N 2 1 235.335 0.896 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000114935570 582897981 /nfs/dbraw/zinc/89/79/81/582897981.db2.gz VFROTUHWMPVAFK-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892759422 582977437 /nfs/dbraw/zinc/97/74/37/582977437.db2.gz TXGVLCBAZJJXRY-VIFPVBQESA-N 2 1 225.292 0.733 20 0 BCADMP CCN1CC[N@H+](CC2CC[NH+](C)CC2)CC1=O ZINC000893568639 583165496 /nfs/dbraw/zinc/16/54/96/583165496.db2.gz JLIZUMCUGWEZKH-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP CCN1CC[N@@H+](CC2CC[NH+](C)CC2)CC1=O ZINC000893568639 583165498 /nfs/dbraw/zinc/16/54/98/583165498.db2.gz JLIZUMCUGWEZKH-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000893990773 583265952 /nfs/dbraw/zinc/26/59/52/583265952.db2.gz PAVMHHVRCXTGAK-AOOOYVTPSA-N 2 1 235.335 0.896 20 0 BCADMP CC[N@H+]1CCCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857111671 588889424 /nfs/dbraw/zinc/88/94/24/588889424.db2.gz RIWYCVJNIAMULE-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP O[C@@H](C[NH2+]Cc1c[nH]cn1)COc1ccccc1 ZINC000894167462 583324242 /nfs/dbraw/zinc/32/42/42/583324242.db2.gz ZVJMFRRCLBRQEH-LBPRGKRZSA-N 2 1 247.298 0.939 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CO)C1CC1 ZINC000878420975 583372537 /nfs/dbraw/zinc/37/25/37/583372537.db2.gz VLRWCZHLCBGSAX-NSHDSACASA-N 2 1 209.293 0.323 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC(=O)NCC2(C)C)CC1 ZINC000894260521 583399110 /nfs/dbraw/zinc/39/91/10/583399110.db2.gz BBWTZAUEAZDGJS-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c[nH]cn1 ZINC000894399002 583448774 /nfs/dbraw/zinc/44/87/74/583448774.db2.gz BWUVFENJTRGFTH-GFCCVEGCSA-N 2 1 240.351 0.856 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000894519228 583476946 /nfs/dbraw/zinc/47/69/46/583476946.db2.gz GHJKQKKKXCKXOI-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc[nH]1 ZINC000894766818 583519243 /nfs/dbraw/zinc/51/92/43/583519243.db2.gz UVZYYXHFUIWXOA-UHFFFAOYSA-N 2 1 239.367 0.335 20 0 BCADMP C[C@H](O)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000894946647 583557634 /nfs/dbraw/zinc/55/76/34/583557634.db2.gz VAIGZMRCOUPFTQ-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@@H+]1CC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000895160444 583609821 /nfs/dbraw/zinc/60/98/21/583609821.db2.gz MHUYZFLEJKFBIR-VIFPVBQESA-N 2 1 221.308 0.873 20 0 BCADMP CC[N@H+]1CC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000895160444 583609822 /nfs/dbraw/zinc/60/98/22/583609822.db2.gz MHUYZFLEJKFBIR-VIFPVBQESA-N 2 1 221.308 0.873 20 0 BCADMP CN1CC(C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000895361989 583660853 /nfs/dbraw/zinc/66/08/53/583660853.db2.gz IHHFEVFIFYKNDX-UHFFFAOYSA-N 3 1 225.380 0.822 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000895681342 583708949 /nfs/dbraw/zinc/70/89/49/583708949.db2.gz QXAWJLWWGDJWLV-MNOVXSKESA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCCC1 ZINC000895685127 583709646 /nfs/dbraw/zinc/70/96/46/583709646.db2.gz KDUVPXSWGBIIQB-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[C@H](Nc2ccncc2C(N)=O)CC[N@H+]1C ZINC000895737410 583718242 /nfs/dbraw/zinc/71/82/42/583718242.db2.gz UHLHPLAKNUWMOU-PSASIEDQSA-N 2 1 234.303 0.107 20 0 BCADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000895737410 583718243 /nfs/dbraw/zinc/71/82/43/583718243.db2.gz UHLHPLAKNUWMOU-PSASIEDQSA-N 2 1 234.303 0.107 20 0 BCADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@H]2C)[nH+]1 ZINC000895738499 583719058 /nfs/dbraw/zinc/71/90/58/583719058.db2.gz WUHJFFNMLJMJPI-DTWKUNHWSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)[nH+]1 ZINC000895738499 583719059 /nfs/dbraw/zinc/71/90/59/583719059.db2.gz WUHJFFNMLJMJPI-DTWKUNHWSA-N 2 1 221.308 0.872 20 0 BCADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000895767247 583719999 /nfs/dbraw/zinc/71/99/99/583719999.db2.gz JHRNRHMEYUEGFZ-SNVBAGLBSA-N 2 1 207.277 0.112 20 0 BCADMP C[N@H+]1CC[C@@H]1CNc1nccn2cncc12 ZINC000895768379 583724475 /nfs/dbraw/zinc/72/44/75/583724475.db2.gz YTJOZXMJYYSMTC-SECBINFHSA-N 2 1 217.276 0.845 20 0 BCADMP CN1CC[C@@H]1CNc1nccn2cncc12 ZINC000895768379 583724477 /nfs/dbraw/zinc/72/44/77/583724477.db2.gz YTJOZXMJYYSMTC-SECBINFHSA-N 2 1 217.276 0.845 20 0 BCADMP C[N@@H+](C/C=C\Cl)CCN1CC[NH2+]CC1 ZINC000214400431 583730987 /nfs/dbraw/zinc/73/09/87/583730987.db2.gz KLVFSGMLOODWAE-IHWYPQMZSA-N 2 1 217.744 0.576 20 0 BCADMP C[N@H+](C/C=C\Cl)CCN1CC[NH2+]CC1 ZINC000214400431 583730988 /nfs/dbraw/zinc/73/09/88/583730988.db2.gz KLVFSGMLOODWAE-IHWYPQMZSA-N 2 1 217.744 0.576 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCCn3nncc3C2)CC1 ZINC000896044507 583765801 /nfs/dbraw/zinc/76/58/01/583765801.db2.gz AXPPVBXLHZDQMU-UHFFFAOYSA-N 2 1 249.362 0.826 20 0 BCADMP CCO[C@@H](C[NH2+]C1CC(OC)C1)C[NH+](C)C ZINC000896880504 583845589 /nfs/dbraw/zinc/84/55/89/583845589.db2.gz WVLOWDNNPWEFOF-MCIGGMRASA-N 2 1 230.352 0.720 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000896947982 583862339 /nfs/dbraw/zinc/86/23/39/583862339.db2.gz DMIMAADBBHBDAR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000896947982 583862342 /nfs/dbraw/zinc/86/23/42/583862342.db2.gz DMIMAADBBHBDAR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000896947982 583862343 /nfs/dbraw/zinc/86/23/43/583862343.db2.gz DMIMAADBBHBDAR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000896947982 583862346 /nfs/dbraw/zinc/86/23/46/583862346.db2.gz DMIMAADBBHBDAR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@H]21 ZINC000870982262 583932929 /nfs/dbraw/zinc/93/29/29/583932929.db2.gz MDIJDXXCWBHZIH-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864453310 584005492 /nfs/dbraw/zinc/00/54/92/584005492.db2.gz UNKZIPYRTDCPHD-HBNTYKKESA-N 2 1 224.352 0.851 20 0 BCADMP C[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898007585 584070697 /nfs/dbraw/zinc/07/06/97/584070697.db2.gz DRMVCSVAUPQKMS-UHFFFAOYSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000898183782 584093106 /nfs/dbraw/zinc/09/31/06/584093106.db2.gz NEARCJXDTIOYIC-VXGBXAGGSA-N 2 1 230.327 0.733 20 0 BCADMP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000899266320 584189605 /nfs/dbraw/zinc/18/96/05/584189605.db2.gz RLRUKPITYQIQAP-NXEZZACHSA-N 2 1 224.352 0.851 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899910101 584252503 /nfs/dbraw/zinc/25/25/03/584252503.db2.gz JODPYGTZSIKWAE-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899910105 584252525 /nfs/dbraw/zinc/25/25/25/584252525.db2.gz JODPYGTZSIKWAE-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+]1CCC2(CC[N@H+]2CCC(N)=O)CC1 ZINC000899911672 584253401 /nfs/dbraw/zinc/25/34/01/584253401.db2.gz WHGFBYKFBOQDPB-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900590966 584329402 /nfs/dbraw/zinc/32/94/02/584329402.db2.gz RAQNQPUECVCYSQ-VIFPVBQESA-N 2 1 222.292 0.163 20 0 BCADMP CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000901284412 584421627 /nfs/dbraw/zinc/42/16/27/584421627.db2.gz CJIBLTLEKYNYSN-SRVKXCTJSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000901284412 584421630 /nfs/dbraw/zinc/42/16/30/584421630.db2.gz CJIBLTLEKYNYSN-SRVKXCTJSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393240 584583527 /nfs/dbraw/zinc/58/35/27/584583527.db2.gz NXECPNPGETYBMF-WDEREUQCSA-N 3 1 213.369 0.949 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000902397025 584585536 /nfs/dbraw/zinc/58/55/36/584585536.db2.gz LUVTUYHBMIRFBM-VXGBXAGGSA-N 2 1 241.379 0.343 20 0 BCADMP C[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000902403601 584588238 /nfs/dbraw/zinc/58/82/38/584588238.db2.gz ADXBKRRBSLLXCP-SRVKXCTJSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCCON)CC[N@H+]1C ZINC000902420522 584592462 /nfs/dbraw/zinc/59/24/62/584592462.db2.gz XZCMAXTYXXSWEF-ZJUUUORDSA-N 2 1 201.314 0.339 20 0 BCADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449430 584606172 /nfs/dbraw/zinc/60/61/72/584606172.db2.gz OGFFCOYSXORZRA-QWRGUYRKSA-N 2 1 212.337 0.999 20 0 BCADMP Cn1cnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000902459044 584610812 /nfs/dbraw/zinc/61/08/12/584610812.db2.gz ATFTZYZAYKTBDV-GXSJLCMTSA-N 2 1 208.309 0.637 20 0 BCADMP Cn1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000902461009 584611350 /nfs/dbraw/zinc/61/13/50/584611350.db2.gz KIOLXTXMYLXIPX-VHSXEESVSA-N 2 1 208.309 0.780 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462391 584612243 /nfs/dbraw/zinc/61/22/43/584612243.db2.gz VNLUXSMFYWQZSE-XNJGVTPASA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462391 584612244 /nfs/dbraw/zinc/61/22/44/584612244.db2.gz VNLUXSMFYWQZSE-XNJGVTPASA-N 2 1 235.375 0.857 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1C ZINC000902464867 584613121 /nfs/dbraw/zinc/61/31/21/584613121.db2.gz DHRBAWBGBKNTPX-JZRPKSSGSA-N 2 1 223.364 0.952 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468825 584615516 /nfs/dbraw/zinc/61/55/16/584615516.db2.gz WLEXWXLZWBQQLX-WISYIIOYSA-N 3 1 227.352 0.223 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470823 584616770 /nfs/dbraw/zinc/61/67/70/584616770.db2.gz HGLIZGVUWGEIHH-YRASXDPISA-N 2 1 235.375 0.952 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000902512591 584623283 /nfs/dbraw/zinc/62/32/83/584623283.db2.gz ASWIYQCGVUDCSR-GARJFASQSA-N 2 1 216.325 0.114 20 0 BCADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000902485996 584625473 /nfs/dbraw/zinc/62/54/73/584625473.db2.gz DSKWPCYBTJRRGC-LPWJVIDDSA-N 2 1 223.364 0.940 20 0 BCADMP N[C@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487699 584626606 /nfs/dbraw/zinc/62/66/06/584626606.db2.gz LXKFYAZZQCZKSI-FIQHERPVSA-N 2 1 211.353 0.973 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422033 584763556 /nfs/dbraw/zinc/76/35/56/584763556.db2.gz UFFAKPYZXHGIFC-UTUOFQBUSA-N 3 1 211.353 0.785 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424970 584765282 /nfs/dbraw/zinc/76/52/82/584765282.db2.gz NPJJDXGJQDOLIZ-VOAKCMCISA-N 3 1 225.380 0.901 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424970 584765283 /nfs/dbraw/zinc/76/52/83/584765283.db2.gz NPJJDXGJQDOLIZ-VOAKCMCISA-N 3 1 225.380 0.901 20 0 BCADMP CON1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000903458713 584765424 /nfs/dbraw/zinc/76/54/24/584765424.db2.gz HYGQAKZGPGJUKF-AXFHLTTASA-N 2 1 241.335 0.065 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000903458713 584765426 /nfs/dbraw/zinc/76/54/26/584765426.db2.gz HYGQAKZGPGJUKF-AXFHLTTASA-N 2 1 241.335 0.065 20 0 BCADMP CON1CC[C@H]([N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000903425055 584765539 /nfs/dbraw/zinc/76/55/39/584765539.db2.gz QDGFVMNJHSFUOK-AXFHLTTASA-N 2 1 241.335 0.208 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000903425055 584765540 /nfs/dbraw/zinc/76/55/40/584765540.db2.gz QDGFVMNJHSFUOK-AXFHLTTASA-N 2 1 241.335 0.208 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000903464061 584767279 /nfs/dbraw/zinc/76/72/79/584767279.db2.gz YDQWCTZIJWQTTM-YNEHKIRRSA-N 2 1 249.362 0.727 20 0 BCADMP N[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@H]1F ZINC000903464247 584767636 /nfs/dbraw/zinc/76/76/36/584767636.db2.gz FCWHRSYWHBIFPV-LNFKQOIKSA-N 2 1 215.316 0.485 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444275 584769184 /nfs/dbraw/zinc/76/91/84/584769184.db2.gz RLLZWZVSESEZKP-KOLCDFICSA-N 2 1 208.309 0.969 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447326 584770824 /nfs/dbraw/zinc/77/08/24/584770824.db2.gz OKUHIPSJKSECEI-MBJXGIAVSA-N 3 1 237.391 0.901 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447325 584770850 /nfs/dbraw/zinc/77/08/50/584770850.db2.gz OKUHIPSJKSECEI-IKOXMDCHSA-N 3 1 237.391 0.901 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903451634 584771981 /nfs/dbraw/zinc/77/19/81/584771981.db2.gz CBBLSNWWNVXLKF-WOPDTQHZSA-N 3 1 211.353 0.785 20 0 BCADMP C[C@@]1(CN)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903451634 584771983 /nfs/dbraw/zinc/77/19/83/584771983.db2.gz CBBLSNWWNVXLKF-WOPDTQHZSA-N 2 1 211.353 0.785 20 0 BCADMP C[C@@]1(CN)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903451634 584771985 /nfs/dbraw/zinc/77/19/85/584771985.db2.gz CBBLSNWWNVXLKF-WOPDTQHZSA-N 2 1 211.353 0.785 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452339 584772274 /nfs/dbraw/zinc/77/22/74/584772274.db2.gz LEFFVKOBVBAOMV-WUHRBBMRSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452339 584772275 /nfs/dbraw/zinc/77/22/75/584772275.db2.gz LEFFVKOBVBAOMV-WUHRBBMRSA-N 2 1 223.364 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000903453818 584772948 /nfs/dbraw/zinc/77/29/48/584772948.db2.gz MTJAMZPHRVXCGR-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000903453818 584772951 /nfs/dbraw/zinc/77/29/51/584772951.db2.gz MTJAMZPHRVXCGR-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000903454964 584773080 /nfs/dbraw/zinc/77/30/80/584773080.db2.gz PENLFWDRQSWVII-KGYLQXTDSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000903454964 584773081 /nfs/dbraw/zinc/77/30/81/584773081.db2.gz PENLFWDRQSWVII-KGYLQXTDSA-N 2 1 224.348 0.953 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455340 584773834 /nfs/dbraw/zinc/77/38/34/584773834.db2.gz UPUZDBHZFNKGAI-GRYCIOLGSA-N 2 1 240.347 0.869 20 0 BCADMP COC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000903456720 584773958 /nfs/dbraw/zinc/77/39/58/584773958.db2.gz JXLVDMGQBJKVSX-VOAKCMCISA-N 2 1 242.363 0.578 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000903456720 584773960 /nfs/dbraw/zinc/77/39/60/584773960.db2.gz JXLVDMGQBJKVSX-VOAKCMCISA-N 2 1 242.363 0.578 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000903455554 584774077 /nfs/dbraw/zinc/77/40/77/584774077.db2.gz ZTLUOGGIQYTYTJ-VOAKCMCISA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000903455554 584774079 /nfs/dbraw/zinc/77/40/79/584774079.db2.gz ZTLUOGGIQYTYTJ-VOAKCMCISA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000903455554 584774081 /nfs/dbraw/zinc/77/40/81/584774081.db2.gz ZTLUOGGIQYTYTJ-VOAKCMCISA-N 2 1 225.380 0.866 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456691 584774235 /nfs/dbraw/zinc/77/42/35/584774235.db2.gz IXWFPKSULUJNRC-RNJOBUHISA-N 2 1 242.363 0.850 20 0 BCADMP C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471291 584775376 /nfs/dbraw/zinc/77/53/76/584775376.db2.gz IECDIQYWNHQILO-NWDGAFQWSA-N 2 1 223.364 0.860 20 0 BCADMP c1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903470881 584775640 /nfs/dbraw/zinc/77/56/40/584775640.db2.gz OYYITNVEAHLJPI-LLVKDONJSA-N 2 1 220.320 0.757 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000903472952 584776306 /nfs/dbraw/zinc/77/63/06/584776306.db2.gz XRWLLRGULDMLCR-TUAOUCFPSA-N 2 1 223.364 0.988 20 0 BCADMP CO[C@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481497 584777925 /nfs/dbraw/zinc/77/79/25/584777925.db2.gz DQMRJQVQIWUCKE-XQHKEYJVSA-N 2 1 242.363 0.850 20 0 BCADMP CO[C@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481809 584778184 /nfs/dbraw/zinc/77/81/84/584778184.db2.gz NKMGCWZDCUAFJH-XQHKEYJVSA-N 2 1 242.363 0.578 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000903478281 584778202 /nfs/dbraw/zinc/77/82/02/584778202.db2.gz HTVTUWKNKBQEHE-MROQNXINSA-N 3 1 223.364 0.383 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000903478281 584778203 /nfs/dbraw/zinc/77/82/03/584778203.db2.gz HTVTUWKNKBQEHE-MROQNXINSA-N 3 1 223.364 0.383 20 0 BCADMP c1ncn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000903481380 584778211 /nfs/dbraw/zinc/77/82/11/584778211.db2.gz ABWOZNHRWWIOEO-LLVKDONJSA-N 2 1 235.335 0.542 20 0 BCADMP [NH3+]CCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483485 584779385 /nfs/dbraw/zinc/77/93/85/584779385.db2.gz HTOHOMOTISPLDW-NSHDSACASA-N 3 1 227.352 0.226 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484605 584779522 /nfs/dbraw/zinc/77/95/22/584779522.db2.gz SRRUGGABXZVFIL-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000629569852 584781444 /nfs/dbraw/zinc/78/14/44/584781444.db2.gz GDVTWLADJKPKBC-CYBMUJFWSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000629569853 584781520 /nfs/dbraw/zinc/78/15/20/584781520.db2.gz GDVTWLADJKPKBC-ZDUSSCGKSA-N 3 1 243.395 0.544 20 0 BCADMP C[C@@]1([C@H]2CCC[N@@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560813 584782401 /nfs/dbraw/zinc/78/24/01/584782401.db2.gz AUUFECPIKWUKEC-JQWIXIFHSA-N 2 1 241.335 0.546 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558125 584782959 /nfs/dbraw/zinc/78/29/59/584782959.db2.gz VPHJNJHPSBBCFX-VXGBXAGGSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718085 584792149 /nfs/dbraw/zinc/79/21/49/584792149.db2.gz ZJSMRKMVKGXEHU-NWDGAFQWSA-N 3 1 227.352 0.036 20 0 BCADMP CN(CCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718085 584792151 /nfs/dbraw/zinc/79/21/51/584792151.db2.gz ZJSMRKMVKGXEHU-NWDGAFQWSA-N 2 1 227.352 0.036 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718378 584792426 /nfs/dbraw/zinc/79/24/26/584792426.db2.gz LNYJIKSPHIFDFG-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718378 584792427 /nfs/dbraw/zinc/79/24/27/584792427.db2.gz LNYJIKSPHIFDFG-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903718098 584792661 /nfs/dbraw/zinc/79/26/61/584792661.db2.gz ZPUBNPHRBGZMMD-NDMJEZRESA-N 2 1 240.347 0.903 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729720 584792917 /nfs/dbraw/zinc/79/29/17/584792917.db2.gz RHFQPHXWUQSNFW-AVGNSLFASA-N 2 1 240.347 0.476 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715799 584793992 /nfs/dbraw/zinc/79/39/92/584793992.db2.gz ADUBNXSEPSDBBN-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715799 584793993 /nfs/dbraw/zinc/79/39/93/584793993.db2.gz ADUBNXSEPSDBBN-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP NC1(C[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743350 584796563 /nfs/dbraw/zinc/79/65/63/584796563.db2.gz IXKCMRCTZKPMCE-RYUDHWBXSA-N 2 1 239.363 0.226 20 0 BCADMP [NH3+]C1(CNC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743350 584796565 /nfs/dbraw/zinc/79/65/65/584796565.db2.gz IXKCMRCTZKPMCE-RYUDHWBXSA-N 2 1 239.363 0.226 20 0 BCADMP CCn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000903742511 584796896 /nfs/dbraw/zinc/79/68/96/584796896.db2.gz BQPYVWCUXJAMGQ-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763004 584797205 /nfs/dbraw/zinc/79/72/05/584797205.db2.gz GORKFAZZJOEQJS-JHJVBQTASA-N 2 1 240.347 0.212 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760374 584797232 /nfs/dbraw/zinc/79/72/32/584797232.db2.gz GNDFRFKVLKKMJF-QWHCGFSZSA-N 3 1 241.379 0.296 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760374 584797234 /nfs/dbraw/zinc/79/72/34/584797234.db2.gz GNDFRFKVLKKMJF-QWHCGFSZSA-N 3 1 241.379 0.296 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903770085 584798138 /nfs/dbraw/zinc/79/81/38/584798138.db2.gz SKOZXAOBXOREFY-GFCCVEGCSA-N 3 1 229.368 0.283 20 0 BCADMP CN(CCOCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903770085 584798139 /nfs/dbraw/zinc/79/81/39/584798139.db2.gz SKOZXAOBXOREFY-GFCCVEGCSA-N 2 1 229.368 0.283 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769586 584798189 /nfs/dbraw/zinc/79/81/89/584798189.db2.gz JWNAHRXMSWZQNE-CYBMUJFWSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769586 584798190 /nfs/dbraw/zinc/79/81/90/584798190.db2.gz JWNAHRXMSWZQNE-CYBMUJFWSA-N 2 1 243.395 0.544 20 0 BCADMP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903769525 584798319 /nfs/dbraw/zinc/79/83/19/584798319.db2.gz IGMNQLUDTDDPIZ-JQWIXIFHSA-N 2 1 228.336 0.461 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903769525 584798321 /nfs/dbraw/zinc/79/83/21/584798321.db2.gz IGMNQLUDTDDPIZ-JQWIXIFHSA-N 2 1 228.336 0.461 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755422 584798486 /nfs/dbraw/zinc/79/84/86/584798486.db2.gz GYRVHRMEWKGYSM-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)C[C@H]1C[NH3+] ZINC000903775025 584798885 /nfs/dbraw/zinc/79/88/85/584798885.db2.gz FJYLYFJRUHMCJI-ZYHUDNBSSA-N 2 1 240.326 0.879 20 0 BCADMP NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813229 584803705 /nfs/dbraw/zinc/80/37/05/584803705.db2.gz ZIVZNKSPXODRED-SNVBAGLBSA-N 2 1 225.336 0.455 20 0 BCADMP NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813229 584803707 /nfs/dbraw/zinc/80/37/07/584803707.db2.gz ZIVZNKSPXODRED-SNVBAGLBSA-N 2 1 225.336 0.455 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903823202 584804471 /nfs/dbraw/zinc/80/44/71/584804471.db2.gz DCHKWBZVSUIMOR-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903823202 584804472 /nfs/dbraw/zinc/80/44/72/584804472.db2.gz DCHKWBZVSUIMOR-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000903826924 584804958 /nfs/dbraw/zinc/80/49/58/584804958.db2.gz ODMSIGRBBOTECZ-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]1CCOCC[N@H+]1CCOCC[NH3+] ZINC000903831924 584806046 /nfs/dbraw/zinc/80/60/46/584806046.db2.gz OHTYAQGZGBSDPE-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP C[C@H]1CCOCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833448 584806190 /nfs/dbraw/zinc/80/61/90/584806190.db2.gz WVOAHQBNXYJEFB-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP COCC[C@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838245 584806885 /nfs/dbraw/zinc/80/68/85/584806885.db2.gz AKFUOXKRLIFIHF-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP COCC[C@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838245 584806886 /nfs/dbraw/zinc/80/68/86/584806886.db2.gz AKFUOXKRLIFIHF-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](O)[C@@H](F)C2)C1 ZINC000903838836 584807296 /nfs/dbraw/zinc/80/72/96/584807296.db2.gz FXDAFMNPMABEOO-VLEAKVRGSA-N 2 1 216.300 0.519 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2CCn1cccn1 ZINC000903855372 584808586 /nfs/dbraw/zinc/80/85/86/584808586.db2.gz MOSOISJSQAUYEQ-NWDGAFQWSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCn1cccn1 ZINC000903855372 584808587 /nfs/dbraw/zinc/80/85/87/584808587.db2.gz MOSOISJSQAUYEQ-NWDGAFQWSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCn1cccn1 ZINC000903855372 584808588 /nfs/dbraw/zinc/80/85/88/584808588.db2.gz MOSOISJSQAUYEQ-NWDGAFQWSA-N 2 1 220.320 0.696 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861215 584812043 /nfs/dbraw/zinc/81/20/43/584812043.db2.gz WFONAOPRHVIMDU-MROQNXINSA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861215 584812044 /nfs/dbraw/zinc/81/20/44/584812044.db2.gz WFONAOPRHVIMDU-MROQNXINSA-N 3 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861215 584812045 /nfs/dbraw/zinc/81/20/45/584812045.db2.gz WFONAOPRHVIMDU-MROQNXINSA-N 3 1 223.364 0.927 20 0 BCADMP C[C@]12CSC[C@H]1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000903870425 584814448 /nfs/dbraw/zinc/81/44/48/584814448.db2.gz GXCOHBNKXOCIKB-DGORSVRFSA-N 2 1 242.388 0.522 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871527 584815303 /nfs/dbraw/zinc/81/53/03/584815303.db2.gz RAXGCSVZSKVUAZ-GRYCIOLGSA-N 2 1 244.404 0.642 20 0 BCADMP COC[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903880439 584817130 /nfs/dbraw/zinc/81/71/30/584817130.db2.gz IICFISSGVSWBEC-ZDUSSCGKSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903880439 584817131 /nfs/dbraw/zinc/81/71/31/584817131.db2.gz IICFISSGVSWBEC-ZDUSSCGKSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903880438 584817192 /nfs/dbraw/zinc/81/71/92/584817192.db2.gz IICFISSGVSWBEC-CYBMUJFWSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903880438 584817194 /nfs/dbraw/zinc/81/71/94/584817194.db2.gz IICFISSGVSWBEC-CYBMUJFWSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903880436 584817439 /nfs/dbraw/zinc/81/74/39/584817439.db2.gz IFTHCUPTLQUAHW-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903880436 584817440 /nfs/dbraw/zinc/81/74/40/584817440.db2.gz IFTHCUPTLQUAHW-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@]1(C2CC2)COCC[N@H+]1CCOCC[NH3+] ZINC000903883351 584818194 /nfs/dbraw/zinc/81/81/94/584818194.db2.gz WIGAMOBBMVVWLL-GFCCVEGCSA-N 2 1 228.336 0.463 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903882574 584818428 /nfs/dbraw/zinc/81/84/28/584818428.db2.gz OFNCKWUQBYERRL-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906392 584820954 /nfs/dbraw/zinc/82/09/54/584820954.db2.gz VVSIHDCNGOABNZ-PSEXLTFBSA-N 3 1 239.363 0.177 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906392 584820955 /nfs/dbraw/zinc/82/09/55/584820955.db2.gz VVSIHDCNGOABNZ-PSEXLTFBSA-N 3 1 239.363 0.177 20 0 BCADMP c1nc2n(n1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903908985 584821806 /nfs/dbraw/zinc/82/18/06/584821806.db2.gz QKOYFGRMUKVEQH-YOGCLGLASA-N 2 1 247.346 0.624 20 0 BCADMP c1nc2n(n1)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903908985 584821807 /nfs/dbraw/zinc/82/18/07/584821807.db2.gz QKOYFGRMUKVEQH-YOGCLGLASA-N 2 1 247.346 0.624 20 0 BCADMP CC[NH2+]CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918410 584822520 /nfs/dbraw/zinc/82/25/20/584822520.db2.gz YZIXLNKBQWCZAF-YOGCLGLASA-N 3 1 211.353 0.716 20 0 BCADMP C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000903918409 584822846 /nfs/dbraw/zinc/82/28/46/584822846.db2.gz YVLNIQCQHSFREH-WVMKXHBISA-N 2 1 223.364 0.859 20 0 BCADMP C[C@H](CN)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918740 584822868 /nfs/dbraw/zinc/82/28/68/584822868.db2.gz GSLTXHJGFZSFFC-SNVBAGLBSA-N 2 1 219.332 0.769 20 0 BCADMP CC1(C[NH2+]C[C@H](N)CC(F)F)CC[NH2+]CC1 ZINC000903920593 584822948 /nfs/dbraw/zinc/82/29/48/584822948.db2.gz WHPMNEXEFDTYHG-SECBINFHSA-N 2 1 235.322 0.948 20 0 BCADMP C[C@H](N)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933934 584825205 /nfs/dbraw/zinc/82/52/05/584825205.db2.gz BKASVXWEKFYAEM-YEJSDXFRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CN(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933934 584825206 /nfs/dbraw/zinc/82/52/06/584825206.db2.gz BKASVXWEKFYAEM-YEJSDXFRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934683 584825509 /nfs/dbraw/zinc/82/55/09/584825509.db2.gz IPWQLPZAHXGCAE-OFIBSPLFSA-N 2 1 223.364 0.857 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC000903940120 584828658 /nfs/dbraw/zinc/82/86/58/584828658.db2.gz XUBVIUGJAIYAQL-PHIMTYICSA-N 2 1 225.336 0.134 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC000903940120 584828660 /nfs/dbraw/zinc/82/86/60/584828660.db2.gz XUBVIUGJAIYAQL-PHIMTYICSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000903953389 584831451 /nfs/dbraw/zinc/83/14/51/584831451.db2.gz DWLFDSKMNVTPJT-QNWHQSFQSA-N 2 1 224.348 0.689 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@H]12 ZINC000903954456 584831988 /nfs/dbraw/zinc/83/19/88/584831988.db2.gz SPDBXUXRWHAWIN-VFIJVLHUSA-N 2 1 222.332 0.441 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]12 ZINC000903954456 584831989 /nfs/dbraw/zinc/83/19/89/584831989.db2.gz SPDBXUXRWHAWIN-VFIJVLHUSA-N 2 1 222.332 0.441 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccn[nH]1 ZINC000903974457 584832677 /nfs/dbraw/zinc/83/26/77/584832677.db2.gz NQDJMKUYSBKZTP-NXEZZACHSA-N 2 1 208.309 0.745 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903963864 584834150 /nfs/dbraw/zinc/83/41/50/584834150.db2.gz IANKLUDQANPRPV-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000903966723 584834667 /nfs/dbraw/zinc/83/46/67/584834667.db2.gz AIGYUHVBHPRRIR-WRWGMCAJSA-N 3 1 211.353 0.701 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903988177 584835823 /nfs/dbraw/zinc/83/58/23/584835823.db2.gz OPBQAPHAMOOMGU-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+](CCC(N)=O)C[C@@H]([NH3+])CC(C)C ZINC000903987366 584835989 /nfs/dbraw/zinc/83/59/89/584835989.db2.gz DKFWNXCGZVIZJZ-JTQLQIEISA-N 2 1 215.341 0.557 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]([NH3+])CC(C)C ZINC000903987366 584835990 /nfs/dbraw/zinc/83/59/90/584835990.db2.gz DKFWNXCGZVIZJZ-JTQLQIEISA-N 2 1 215.341 0.557 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903988172 584836073 /nfs/dbraw/zinc/83/60/73/584836073.db2.gz OPBQAPHAMOOMGU-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315878 584860375 /nfs/dbraw/zinc/86/03/75/584860375.db2.gz GAUVBINWOMSRLY-RYUDHWBXSA-N 2 1 212.337 0.690 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299746 584860430 /nfs/dbraw/zinc/86/04/30/584860430.db2.gz NHDWBIGPVBOBIE-HTYKTIJTSA-N 3 1 223.364 0.939 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000904300127 584861054 /nfs/dbraw/zinc/86/10/54/584861054.db2.gz WSVHBGLMZUJRMT-PHIMTYICSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+](C2CC2)C2CCNCC2)C1 ZINC000904300127 584861055 /nfs/dbraw/zinc/86/10/55/584861055.db2.gz WSVHBGLMZUJRMT-PHIMTYICSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C2CC2)C2CCNCC2)C1 ZINC000904300127 584861056 /nfs/dbraw/zinc/86/10/56/584861056.db2.gz WSVHBGLMZUJRMT-PHIMTYICSA-N 2 1 223.364 0.940 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300977 584861229 /nfs/dbraw/zinc/86/12/29/584861229.db2.gz DCJQJMIONZEFOM-PHIMTYICSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301534 584861521 /nfs/dbraw/zinc/86/15/21/584861521.db2.gz NCNOCUAILXARII-DGCLKSJQSA-N 2 1 239.363 0.573 20 0 BCADMP C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305509 584862026 /nfs/dbraw/zinc/86/20/26/584862026.db2.gz PGLKWECPMSDVFG-AOOOYVTPSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+](CC(=O)N1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306020 584862321 /nfs/dbraw/zinc/86/23/21/584862321.db2.gz YIDVMIVMBQVKEY-PHIMTYICSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000904336904 584863157 /nfs/dbraw/zinc/86/31/57/584863157.db2.gz XXRCUDODJAVWSJ-AXFHLTTASA-N 2 1 223.320 0.030 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337067 584863415 /nfs/dbraw/zinc/86/34/15/584863415.db2.gz ZORYTXDWIOWKBA-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337065 584863655 /nfs/dbraw/zinc/86/36/55/584863655.db2.gz ZORYTXDWIOWKBA-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCCO)C2CC2)C1 ZINC000904320284 584864160 /nfs/dbraw/zinc/86/41/60/584864160.db2.gz GJNVQNATTWCEMJ-PHIMTYICSA-N 2 1 212.337 0.961 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320718 584864348 /nfs/dbraw/zinc/86/43/48/584864348.db2.gz NCZNUSDNHVCSHJ-PHIMTYICSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@H]2C2CC2)C1 ZINC000904323732 584864545 /nfs/dbraw/zinc/86/45/45/584864545.db2.gz RIXWZCAPVHDTQP-WCQGTBRESA-N 2 1 210.321 0.835 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326902 584865611 /nfs/dbraw/zinc/86/56/11/584865611.db2.gz SSWFZNGAFMSLAR-UMNHJUIQSA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904330064 584865828 /nfs/dbraw/zinc/86/58/28/584865828.db2.gz XUVUATNDYLLQOY-MXWKQRLJSA-N 2 1 240.347 0.997 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC000904342073 584867181 /nfs/dbraw/zinc/86/71/81/584867181.db2.gz WOJCJDMHXRTGFZ-KXNHARMFSA-N 2 1 211.353 0.748 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343759 584867943 /nfs/dbraw/zinc/86/79/43/584867943.db2.gz WEHUBNAJENOFKE-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346818 584868458 /nfs/dbraw/zinc/86/84/58/584868458.db2.gz ZZPZQHWJMJFMRT-ZDUSSCGKSA-N 2 1 244.379 0.707 20 0 BCADMP COCCC[N@@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904346413 584868633 /nfs/dbraw/zinc/86/86/33/584868633.db2.gz UCLSQJKBRXWSHT-CYBMUJFWSA-N 2 1 244.379 0.707 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2c2ccncc2)C1 ZINC000904350129 584868873 /nfs/dbraw/zinc/86/88/73/584868873.db2.gz GOMBUTNNAFFGMY-YUTCNCBUSA-N 2 1 246.358 0.765 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2ccncc2)C1 ZINC000904350129 584868874 /nfs/dbraw/zinc/86/88/74/584868874.db2.gz GOMBUTNNAFFGMY-YUTCNCBUSA-N 2 1 246.358 0.765 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000904350592 584868978 /nfs/dbraw/zinc/86/89/78/584868978.db2.gz NPPPQXZFUJDMSU-ZNSHCXBVSA-N 2 1 239.319 0.154 20 0 BCADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350109 584868986 /nfs/dbraw/zinc/86/89/86/584868986.db2.gz IETXEOWLNAQRSV-ZDUSSCGKSA-N 3 1 242.411 0.517 20 0 BCADMP CCCC[C@@H](C[NH3+])NC1CCN(CC[NH3+])CC1 ZINC000904350109 584868987 /nfs/dbraw/zinc/86/89/87/584868987.db2.gz IETXEOWLNAQRSV-ZDUSSCGKSA-N 2 1 242.411 0.517 20 0 BCADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350108 584869148 /nfs/dbraw/zinc/86/91/48/584869148.db2.gz IETXEOWLNAQRSV-CYBMUJFWSA-N 3 1 242.411 0.517 20 0 BCADMP CCCC[C@H](C[NH3+])NC1CCN(CC[NH3+])CC1 ZINC000904350108 584869149 /nfs/dbraw/zinc/86/91/49/584869149.db2.gz IETXEOWLNAQRSV-CYBMUJFWSA-N 2 1 242.411 0.517 20 0 BCADMP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904350819 584869312 /nfs/dbraw/zinc/86/93/12/584869312.db2.gz PVNQNNCYRWQJAL-LBPRGKRZSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@H]([NH2+]Cc1ccc(N)nn1)[C@@H]1CCC[NH2+]C1 ZINC000904353820 584870334 /nfs/dbraw/zinc/87/03/34/584870334.db2.gz RWGWPSQTALOGTA-NXEZZACHSA-N 2 1 235.335 0.537 20 0 BCADMP Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000904356697 584871455 /nfs/dbraw/zinc/87/14/55/584871455.db2.gz XYGMJUOUMXBDAV-RKDXNWHRSA-N 2 1 221.308 0.418 20 0 BCADMP [NH3+]C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904359084 584871667 /nfs/dbraw/zinc/87/16/67/584871667.db2.gz YOIVSQMQVLIGJM-ADEWGFFLSA-N 3 1 211.353 0.831 20 0 BCADMP C[C@H]1CC[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904371873 584873435 /nfs/dbraw/zinc/87/34/35/584873435.db2.gz VGLZQGDCXRFDRO-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904371873 584873436 /nfs/dbraw/zinc/87/34/36/584873436.db2.gz VGLZQGDCXRFDRO-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Nc3ncccn3)C2)C1 ZINC000904374546 584873729 /nfs/dbraw/zinc/87/37/29/584873729.db2.gz TWNSQOFVRYDMGC-TUAOUCFPSA-N 2 1 247.346 0.700 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904372510 584873981 /nfs/dbraw/zinc/87/39/81/584873981.db2.gz DEOIVJGQNWKJHC-OUAUKWLOSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904372510 584873982 /nfs/dbraw/zinc/87/39/82/584873982.db2.gz DEOIVJGQNWKJHC-OUAUKWLOSA-N 2 1 249.362 0.864 20 0 BCADMP COC1(C[N@H+]2CCNCC[NH2+]CC2)CCCC1 ZINC000904396936 584875621 /nfs/dbraw/zinc/87/56/21/584875621.db2.gz ZABZNQHUUNOTGV-UHFFFAOYSA-N 2 1 241.379 0.440 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000904376781 584876398 /nfs/dbraw/zinc/87/63/98/584876398.db2.gz FLHBNXAKYOILAG-JGZJWPJOSA-N 2 1 235.331 0.594 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000904377081 584876418 /nfs/dbraw/zinc/87/64/18/584876418.db2.gz JIDFDJWXAXVZDK-YFKTTZPYSA-N 2 1 237.347 0.324 20 0 BCADMP CN1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)CCC1=O ZINC000904379785 584876457 /nfs/dbraw/zinc/87/64/57/584876457.db2.gz WQEJNYWJLVNJIQ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CN1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCC1=O ZINC000904379785 584876459 /nfs/dbraw/zinc/87/64/59/584876459.db2.gz WQEJNYWJLVNJIQ-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904379707 584876755 /nfs/dbraw/zinc/87/67/55/584876755.db2.gz CIYQQPNICCNYIT-QWHCGFSZSA-N 3 1 240.395 0.140 20 0 BCADMP COC[C@@]1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380802 584876932 /nfs/dbraw/zinc/87/69/32/584876932.db2.gz GZUOPGLGIODJCV-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000904384694 584877558 /nfs/dbraw/zinc/87/75/58/584877558.db2.gz MEBUZRGPAKAOEN-USZNOCQGSA-N 2 1 209.337 0.598 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385209 584877873 /nfs/dbraw/zinc/87/78/73/584877873.db2.gz VFQFTPCXJLGGHF-PWSUYJOCSA-N 2 1 247.346 0.585 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N)nn1 ZINC000904388083 584878008 /nfs/dbraw/zinc/87/80/08/584878008.db2.gz BHXGJWVQBWHLOO-BDAKNGLRSA-N 2 1 221.308 0.004 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405956 584878686 /nfs/dbraw/zinc/87/86/86/584878686.db2.gz BIGIBZPWFUIRNF-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409844 584878825 /nfs/dbraw/zinc/87/88/25/584878825.db2.gz JSIHHBJGDZLGKL-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410962 584879258 /nfs/dbraw/zinc/87/92/58/584879258.db2.gz RWSVXDQUECZGPO-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@](N)(CO)C2)CC[NH2+]1 ZINC000904407323 584879285 /nfs/dbraw/zinc/87/92/85/584879285.db2.gz TXKNVNLLHJNSMO-JHJVBQTASA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@H](CN2CCC[C@]([NH3+])(CO)C2)CC[NH2+]1 ZINC000904407323 584879286 /nfs/dbraw/zinc/87/92/86/584879286.db2.gz TXKNVNLLHJNSMO-JHJVBQTASA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410958 584879320 /nfs/dbraw/zinc/87/93/20/584879320.db2.gz RWSVXDQUECZGPO-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1C[NH3+] ZINC000904411712 584879757 /nfs/dbraw/zinc/87/97/57/584879757.db2.gz WVTPQNCETFJIEJ-LPWJVIDDSA-N 3 1 223.364 0.513 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCN2CCOC2=O)C1 ZINC000733614749 584951278 /nfs/dbraw/zinc/95/12/78/584951278.db2.gz YYSVUKARJPJNDI-LLVKDONJSA-N 2 1 241.335 0.322 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000733614749 584951279 /nfs/dbraw/zinc/95/12/79/584951279.db2.gz YYSVUKARJPJNDI-LLVKDONJSA-N 2 1 241.335 0.322 20 0 BCADMP [NH3+]C1(CO)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000733994898 584956134 /nfs/dbraw/zinc/95/61/34/584956134.db2.gz UUBRISVQLXLAON-UHFFFAOYSA-N 2 1 247.302 0.248 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[NH+]2CCCC2)C1 ZINC000820485040 585013811 /nfs/dbraw/zinc/01/38/11/585013811.db2.gz HYJJKYZXMZKXHK-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000755050790 585293939 /nfs/dbraw/zinc/29/39/39/585293939.db2.gz KWAQZWJOVKQLKF-UHFFFAOYSA-N 2 1 211.353 0.720 20 0 BCADMP CCN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NC ZINC000760847338 585399838 /nfs/dbraw/zinc/39/98/38/585399838.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCNC1(C(N)=O)CCCC1 ZINC000767429130 585520069 /nfs/dbraw/zinc/52/00/69/585520069.db2.gz KTPKQHQEGDBCBW-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000767429130 585520071 /nfs/dbraw/zinc/52/00/71/585520071.db2.gz KTPKQHQEGDBCBW-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000774161167 585652429 /nfs/dbraw/zinc/65/24/29/585652429.db2.gz DFFIZDGWGYTUPS-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1C[C@H](N(C)CC2OCCO2)CC[N@H+]1C ZINC000777595940 585716395 /nfs/dbraw/zinc/71/63/95/585716395.db2.gz HSCSEERYZJAVLD-WDEREUQCSA-N 2 1 228.336 0.774 20 0 BCADMP C[C@@H](CCO)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000779346423 585752150 /nfs/dbraw/zinc/75/21/50/585752150.db2.gz WNKLHWLSORAASX-ZDUSSCGKSA-N 2 1 243.395 0.375 20 0 BCADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000779404892 585753509 /nfs/dbraw/zinc/75/35/09/585753509.db2.gz MOHLAPZTZSZWFN-OLZOCXBDSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000779404894 585753619 /nfs/dbraw/zinc/75/36/19/585753619.db2.gz MOHLAPZTZSZWFN-STQMWFEESA-N 2 1 244.379 0.584 20 0 BCADMP COC(C[N@H+]1CC[C@H](c2nccn2C)C1)OC ZINC000787993098 585918408 /nfs/dbraw/zinc/91/84/08/585918408.db2.gz VEDRQFOWNNAVMK-JTQLQIEISA-N 2 1 239.319 0.828 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327758 585921936 /nfs/dbraw/zinc/92/19/36/585921936.db2.gz RNQPHYPHRGVPAM-NWDGAFQWSA-N 2 1 235.331 0.973 20 0 BCADMP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCCC3)[C@H]2C1 ZINC000794953050 586057410 /nfs/dbraw/zinc/05/74/10/586057410.db2.gz HSKRMKASHJPYOJ-OLZOCXBDSA-N 2 1 223.364 0.718 20 0 BCADMP C[C@H](CCO)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799726201 586194565 /nfs/dbraw/zinc/19/45/65/586194565.db2.gz MISNSMZEROAJCF-GFCCVEGCSA-N 2 1 243.395 0.373 20 0 BCADMP Cn1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000809936398 586524203 /nfs/dbraw/zinc/52/42/03/586524203.db2.gz YRTKGDGZPWEHCZ-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000815181159 586672900 /nfs/dbraw/zinc/67/29/00/586672900.db2.gz MMGWTPYTWRUNHL-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000815181159 586672901 /nfs/dbraw/zinc/67/29/01/586672901.db2.gz MMGWTPYTWRUNHL-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C)C1 ZINC000817890318 586831792 /nfs/dbraw/zinc/83/17/92/586831792.db2.gz RTRNBQWFCPFDKG-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C)C1 ZINC000817890318 586831793 /nfs/dbraw/zinc/83/17/93/586831793.db2.gz RTRNBQWFCPFDKG-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(-n2cnnn2)c1 ZINC000817969905 586856399 /nfs/dbraw/zinc/85/63/99/586856399.db2.gz HYBPAZZQPXLWLF-VHSXEESVSA-N 2 1 246.318 0.660 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000818613874 586906736 /nfs/dbraw/zinc/90/67/36/586906736.db2.gz HDULADRLBOGYMP-LBPRGKRZSA-N 2 1 248.330 0.164 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000818613873 586906792 /nfs/dbraw/zinc/90/67/92/586906792.db2.gz HDULADRLBOGYMP-GFCCVEGCSA-N 2 1 248.330 0.164 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000818953275 586917579 /nfs/dbraw/zinc/91/75/79/586917579.db2.gz FHSLTMRGWIERLY-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000818986016 586919956 /nfs/dbraw/zinc/91/99/56/586919956.db2.gz CRBDMWNLINLPEN-RWMBFGLXSA-N 2 1 240.347 0.210 20 0 BCADMP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000818986016 586919958 /nfs/dbraw/zinc/91/99/58/586919958.db2.gz CRBDMWNLINLPEN-RWMBFGLXSA-N 2 1 240.347 0.210 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000820294969 587042126 /nfs/dbraw/zinc/04/21/26/587042126.db2.gz FDROSQQLOYLKFW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000820294969 587042128 /nfs/dbraw/zinc/04/21/28/587042128.db2.gz FDROSQQLOYLKFW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000820294969 587042130 /nfs/dbraw/zinc/04/21/30/587042130.db2.gz FDROSQQLOYLKFW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000820294969 587042132 /nfs/dbraw/zinc/04/21/32/587042132.db2.gz FDROSQQLOYLKFW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000821301481 587106155 /nfs/dbraw/zinc/10/61/55/587106155.db2.gz SKWAAMJUGJKXSJ-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000821301481 587106156 /nfs/dbraw/zinc/10/61/56/587106156.db2.gz SKWAAMJUGJKXSJ-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526599 587125971 /nfs/dbraw/zinc/12/59/71/587125971.db2.gz DTGUZSWOCYEVNH-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526599 587125972 /nfs/dbraw/zinc/12/59/72/587125972.db2.gz DTGUZSWOCYEVNH-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000823101862 587202636 /nfs/dbraw/zinc/20/26/36/587202636.db2.gz WKLJTARHKTWRQZ-VXGBXAGGSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H](C)[N@H+]1C ZINC000823187325 587207757 /nfs/dbraw/zinc/20/77/57/587207757.db2.gz CCCCEPVPWZDMFK-TXEJJXNPSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H](C)[N@@H+]1C ZINC000823187325 587207759 /nfs/dbraw/zinc/20/77/59/587207759.db2.gz CCCCEPVPWZDMFK-TXEJJXNPSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000828318672 587434705 /nfs/dbraw/zinc/43/47/05/587434705.db2.gz UFKCARBPSQGPJY-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)CCC[NH3+] ZINC000828966055 587476408 /nfs/dbraw/zinc/47/64/08/587476408.db2.gz VLNFBHNOLCROCY-UHFFFAOYSA-N 2 1 238.335 0.862 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)CO ZINC000830690075 587564141 /nfs/dbraw/zinc/56/41/41/587564141.db2.gz HGEHENOAVXWSBR-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)CO ZINC000830690075 587564142 /nfs/dbraw/zinc/56/41/42/587564142.db2.gz HGEHENOAVXWSBR-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970284 587640309 /nfs/dbraw/zinc/64/03/09/587640309.db2.gz BPLTYITZRBQEEI-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971063 587640760 /nfs/dbraw/zinc/64/07/60/587640760.db2.gz QLBIFGLQJQDKQK-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000834608800 587760622 /nfs/dbraw/zinc/76/06/22/587760622.db2.gz SDSRFCAXZUHWHY-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH3+] ZINC000834686243 587764085 /nfs/dbraw/zinc/76/40/85/587764085.db2.gz DTWPTNOAQTWIJT-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)CCCn1cc[nH+]c1C ZINC000834825849 587767869 /nfs/dbraw/zinc/76/78/69/587767869.db2.gz HNIGEHZPOMCOOK-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC000121408173 587803731 /nfs/dbraw/zinc/80/37/31/587803731.db2.gz FPCSWGLXRQMNSW-UHFFFAOYSA-N 2 1 238.335 0.697 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000841777300 587974833 /nfs/dbraw/zinc/97/48/33/587974833.db2.gz YYPGHQOCJFBLCK-SNVBAGLBSA-N 2 1 230.356 0.363 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCCCCCC[NH3+] ZINC000842472328 588029357 /nfs/dbraw/zinc/02/93/57/588029357.db2.gz WOFYTZYQODBSNY-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1CCOC1=O ZINC000842476425 588030052 /nfs/dbraw/zinc/03/00/52/588030052.db2.gz ODMIUDVDETWTNW-VWYCJHECSA-N 2 1 241.335 0.415 20 0 BCADMP C[NH+](C)Cc1cnc(CN2CC[C@H]([NH3+])C2)s1 ZINC000843047530 588076350 /nfs/dbraw/zinc/07/63/50/588076350.db2.gz VEHMEYIPZVISBH-VIFPVBQESA-N 2 1 240.376 0.738 20 0 BCADMP C[C@@H](C[NH3+])N(C)Cc1ncc(C[NH+](C)C)s1 ZINC000843051496 588076989 /nfs/dbraw/zinc/07/69/89/588076989.db2.gz JKKASOSTSUOGLB-VIFPVBQESA-N 2 1 242.392 0.984 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000843058934 588078097 /nfs/dbraw/zinc/07/80/97/588078097.db2.gz CKOUQXDLYNIWPI-SNVBAGLBSA-N 2 1 228.336 0.809 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000843058934 588078099 /nfs/dbraw/zinc/07/80/99/588078099.db2.gz CKOUQXDLYNIWPI-SNVBAGLBSA-N 2 1 228.336 0.809 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCOC1=O ZINC000843356295 588103143 /nfs/dbraw/zinc/10/31/43/588103143.db2.gz TVGJNACOPNGINI-NSHDSACASA-N 2 1 229.324 0.402 20 0 BCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC000843376828 588104284 /nfs/dbraw/zinc/10/42/84/588104284.db2.gz HCYFJPBWDRNTOF-SNVBAGLBSA-N 2 1 231.315 0.275 20 0 BCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC000843376828 588104285 /nfs/dbraw/zinc/10/42/85/588104285.db2.gz HCYFJPBWDRNTOF-SNVBAGLBSA-N 2 1 231.315 0.275 20 0 BCADMP CCCCOC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377573 588105573 /nfs/dbraw/zinc/10/55/73/588105573.db2.gz CNDUWMPTMIOVEL-TXEJJXNPSA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+][C@H](CC(=O)N1CC[NH2+]C[C@@H]1C(F)F)C1CC1 ZINC000843479731 588113941 /nfs/dbraw/zinc/11/39/41/588113941.db2.gz ALJBKVSXKGCGKT-RKDXNWHRSA-N 2 1 247.289 0.179 20 0 BCADMP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)CCC1 ZINC000843481122 588114482 /nfs/dbraw/zinc/11/44/82/588114482.db2.gz OBROOPITLAVPKP-MRVPVSSYSA-N 2 1 247.289 0.323 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000844170810 588171466 /nfs/dbraw/zinc/17/14/66/588171466.db2.gz DHHCTTZPHOKXNB-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188677 588171616 /nfs/dbraw/zinc/17/16/16/588171616.db2.gz XSSSXSMPTLDNSP-ZYHUDNBSSA-N 2 1 243.326 0.146 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000844173890 588172266 /nfs/dbraw/zinc/17/22/66/588172266.db2.gz CAIQGNFJACPEIV-JTQLQIEISA-N 2 1 238.335 0.553 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000844178340 588172547 /nfs/dbraw/zinc/17/25/47/588172547.db2.gz PKSXADYSJWHLBZ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP [NH3+]CCCCCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000846218694 588260975 /nfs/dbraw/zinc/26/09/75/588260975.db2.gz WKBCFOWHYSTOHH-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000846218694 588260976 /nfs/dbraw/zinc/26/09/76/588260976.db2.gz WKBCFOWHYSTOHH-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000846222215 588261388 /nfs/dbraw/zinc/26/13/88/588261388.db2.gz BCSGOIBSCCPWAP-GFCCVEGCSA-N 2 1 229.368 0.555 20 0 BCADMP NC[C@@H]1C[N@H+](CCCCCC[NH3+])CCCO1 ZINC000846222215 588261389 /nfs/dbraw/zinc/26/13/89/588261389.db2.gz BCSGOIBSCCPWAP-GFCCVEGCSA-N 2 1 229.368 0.555 20 0 BCADMP NC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCCO1 ZINC000846222215 588261390 /nfs/dbraw/zinc/26/13/90/588261390.db2.gz BCSGOIBSCCPWAP-GFCCVEGCSA-N 2 1 229.368 0.555 20 0 BCADMP [NH3+]CCCCCCN1CCCO[C@H](C[NH3+])C1 ZINC000846222215 588261391 /nfs/dbraw/zinc/26/13/91/588261391.db2.gz BCSGOIBSCCPWAP-GFCCVEGCSA-N 2 1 229.368 0.555 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000846855323 588293276 /nfs/dbraw/zinc/29/32/76/588293276.db2.gz UQUGDBTVNRNNLC-VXGBXAGGSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000848987616 588426051 /nfs/dbraw/zinc/42/60/51/588426051.db2.gz KZNHJQYUDNLDSV-NSHDSACASA-N 2 1 224.352 0.948 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987688 588426252 /nfs/dbraw/zinc/42/62/52/588426252.db2.gz QRTSXHQTEKIKCY-LLVKDONJSA-N 2 1 244.383 0.866 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000848993183 588427785 /nfs/dbraw/zinc/42/77/85/588427785.db2.gz FOBYAOBWYZUVEJ-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996399 588429201 /nfs/dbraw/zinc/42/92/01/588429201.db2.gz RQFXALJIGZOCJL-LLVKDONJSA-N 2 1 242.367 0.477 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+](C)C1CC1 ZINC000849001569 588430804 /nfs/dbraw/zinc/43/08/04/588430804.db2.gz CCDHWYIMALNRSX-VIFPVBQESA-N 2 1 210.325 0.699 20 0 BCADMP CCCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004586 588431784 /nfs/dbraw/zinc/43/17/84/588431784.db2.gz QBNPXVYTPNBLCN-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004320 588431878 /nfs/dbraw/zinc/43/18/78/588431878.db2.gz MNRYEQSXIPTGOP-JTQLQIEISA-N 2 1 228.340 0.089 20 0 BCADMP CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000849005554 588432517 /nfs/dbraw/zinc/43/25/17/588432517.db2.gz YWAPIVQVPBJWAJ-JTQLQIEISA-N 2 1 228.340 0.089 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008210 588433531 /nfs/dbraw/zinc/43/35/31/588433531.db2.gz YQFOVCDJYOHUEO-GHMZBOCLSA-N 2 1 241.383 0.145 20 0 BCADMP C[C@@H]1C[NH+]=C(N[C@H]2CCn3cc[nH+]c3C2)N1 ZINC000849020468 588438531 /nfs/dbraw/zinc/43/85/31/588438531.db2.gz SLBDIRQORWISQH-BDAKNGLRSA-N 2 1 219.292 0.135 20 0 BCADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000849028123 588441610 /nfs/dbraw/zinc/44/16/10/588441610.db2.gz FOHNEMPWGBVKAL-UHFFFAOYSA-N 2 1 241.383 0.146 20 0 BCADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000849028123 588441612 /nfs/dbraw/zinc/44/16/12/588441612.db2.gz FOHNEMPWGBVKAL-UHFFFAOYSA-N 2 1 241.383 0.146 20 0 BCADMP CN(C)C(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041297 588448065 /nfs/dbraw/zinc/44/80/65/588448065.db2.gz PKAMVRULPWKVGT-SNVBAGLBSA-N 2 1 212.341 0.804 20 0 BCADMP COCCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041656 588448383 /nfs/dbraw/zinc/44/83/83/588448383.db2.gz UWMMEBGZLQSRSB-NSHDSACASA-N 2 1 242.367 0.479 20 0 BCADMP c1cn2c([nH+]1)C[C@@H](NC1=[NH+]CCCCN1)CC2 ZINC000849217143 588462725 /nfs/dbraw/zinc/46/27/25/588462725.db2.gz FSTSMROBYDWCAG-JTQLQIEISA-N 2 1 233.319 0.527 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)N1 ZINC000849349749 588474501 /nfs/dbraw/zinc/47/45/01/588474501.db2.gz GOSCGJJYMUDMMU-NSHDSACASA-N 2 1 249.358 0.856 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000850477443 588549205 /nfs/dbraw/zinc/54/92/05/588549205.db2.gz GPINTFVEBGCOFJ-YNEHKIRRSA-N 2 1 241.379 0.942 20 0 BCADMP C[N@H+](CC(=O)NC1CC1)CC1CC[NH+](C)CC1 ZINC000110117145 588612135 /nfs/dbraw/zinc/61/21/35/588612135.db2.gz WXKNYPQOUARRMD-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccn1 ZINC000851732384 588619558 /nfs/dbraw/zinc/61/95/58/588619558.db2.gz PEGWDHRXZHNBGE-NQBHXWOUSA-N 2 1 233.315 0.266 20 0 BCADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000852149512 588667460 /nfs/dbraw/zinc/66/74/60/588667460.db2.gz RJLRZANTVYUQHK-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP FC(F)OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000852746591 588698771 /nfs/dbraw/zinc/69/87/71/588698771.db2.gz LMXOKRDDRNJELV-JTQLQIEISA-N 2 1 220.263 0.911 20 0 BCADMP FC(F)OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000852746591 588698772 /nfs/dbraw/zinc/69/87/72/588698772.db2.gz LMXOKRDDRNJELV-JTQLQIEISA-N 2 1 220.263 0.911 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743787 588698867 /nfs/dbraw/zinc/69/88/67/588698867.db2.gz KETUPGYWFIWPCB-RYUDHWBXSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]C[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743787 588698868 /nfs/dbraw/zinc/69/88/68/588698868.db2.gz KETUPGYWFIWPCB-RYUDHWBXSA-N 2 1 239.363 0.178 20 0 BCADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000852743720 588698996 /nfs/dbraw/zinc/69/89/96/588698996.db2.gz ILMDIWQVOXXSIK-NSHDSACASA-N 2 1 220.320 0.956 20 0 BCADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000852743720 588698997 /nfs/dbraw/zinc/69/89/97/588698997.db2.gz ILMDIWQVOXXSIK-NSHDSACASA-N 2 1 220.320 0.956 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000852747018 588699073 /nfs/dbraw/zinc/69/90/73/588699073.db2.gz UNOWJWFYPBZYFW-YUMQZZPRSA-N 2 1 208.252 0.895 20 0 BCADMP C[N@H+](CCOC(F)F)[C@@H](CN)C1CC1 ZINC000852750095 588699821 /nfs/dbraw/zinc/69/98/21/588699821.db2.gz WCNBNZPDLQCNKU-QMMMGPOBSA-N 2 1 208.252 0.895 20 0 BCADMP C[N@@H+](CCOC(F)F)[C@@H](CN)C1CC1 ZINC000852750095 588699822 /nfs/dbraw/zinc/69/98/22/588699822.db2.gz WCNBNZPDLQCNKU-QMMMGPOBSA-N 2 1 208.252 0.895 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000852801448 588704631 /nfs/dbraw/zinc/70/46/31/588704631.db2.gz LKXODXOLLUOKAZ-LLVKDONJSA-N 2 1 229.368 0.831 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852836512 588707186 /nfs/dbraw/zinc/70/71/86/588707186.db2.gz BBJMGZDWRIQWCL-SNVBAGLBSA-N 2 1 226.255 0.070 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858786 588708929 /nfs/dbraw/zinc/70/89/29/588708929.db2.gz HCHSQSAWQBMRDW-LBPRGKRZSA-N 2 1 237.347 0.364 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000852879172 588710725 /nfs/dbraw/zinc/71/07/25/588710725.db2.gz RHTCWZQQDKXYGL-WKEGUHRASA-N 2 1 243.257 0.428 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000852921651 588713299 /nfs/dbraw/zinc/71/32/99/588713299.db2.gz PVKNXPWVKJYCJO-SNVBAGLBSA-N 2 1 238.335 0.696 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000861582478 589168919 /nfs/dbraw/zinc/16/89/19/589168919.db2.gz XDPYNZIYBGOGFP-ZJUUUORDSA-N 2 1 240.351 0.212 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861600209 589169292 /nfs/dbraw/zinc/16/92/92/589169292.db2.gz KCDGEXMQMCVTME-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP CC(=O)NCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000118966193 589224584 /nfs/dbraw/zinc/22/45/84/589224584.db2.gz VVHNGBKVOOGDDA-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000863546901 589297914 /nfs/dbraw/zinc/29/79/14/589297914.db2.gz HKEDGZSMRSGVGN-GKDVJIACSA-N 2 1 241.335 0.267 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000864451272 589364553 /nfs/dbraw/zinc/36/45/53/589364553.db2.gz HAPUIUNFMOHQRI-OPRDCNLKSA-N 2 1 210.325 0.460 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864453465 589366137 /nfs/dbraw/zinc/36/61/37/589366137.db2.gz WMVZFYZQRVTHGQ-LLVKDONJSA-N 2 1 224.352 0.852 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000864458209 589367789 /nfs/dbraw/zinc/36/77/89/589367789.db2.gz YOCYYUYJRBRLNU-PSASIEDQSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000864458209 589367791 /nfs/dbraw/zinc/36/77/91/589367791.db2.gz YOCYYUYJRBRLNU-PSASIEDQSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000864462281 589369787 /nfs/dbraw/zinc/36/97/87/589369787.db2.gz LBMPQLMIDSSURE-MWLCHTKSSA-N 2 1 222.336 0.771 20 0 BCADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866205542 589479992 /nfs/dbraw/zinc/47/99/92/589479992.db2.gz FLFPYNLMTHLZLE-WDEREUQCSA-N 2 1 247.346 0.898 20 0 BCADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866205540 589480049 /nfs/dbraw/zinc/48/00/49/589480049.db2.gz FLFPYNLMTHLZLE-MNOVXSKESA-N 2 1 247.346 0.898 20 0 BCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000866659731 589508403 /nfs/dbraw/zinc/50/84/03/589508403.db2.gz SRHQIISFNQYQRD-LBPRGKRZSA-N 2 1 247.342 0.609 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665016 589509508 /nfs/dbraw/zinc/50/95/08/589509508.db2.gz BSLPVKVTZOTMEN-QCNOEVLYSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665016 589509509 /nfs/dbraw/zinc/50/95/09/589509509.db2.gz BSLPVKVTZOTMEN-QCNOEVLYSA-N 2 1 210.321 0.705 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866666189 589509619 /nfs/dbraw/zinc/50/96/19/589509619.db2.gz MPAXLAYHVBWWGO-UHFFFAOYSA-N 2 1 249.358 0.869 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCOCC[NH3+] ZINC000866698879 589513045 /nfs/dbraw/zinc/51/30/45/589513045.db2.gz CGHLAEHXCLNGTJ-UHFFFAOYSA-N 3 1 215.341 0.036 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCOCC[NH3+] ZINC000866698879 589513047 /nfs/dbraw/zinc/51/30/47/589513047.db2.gz CGHLAEHXCLNGTJ-UHFFFAOYSA-N 3 1 215.341 0.036 20 0 BCADMP O[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1O ZINC000866702889 589513400 /nfs/dbraw/zinc/51/34/00/589513400.db2.gz ICKDREHIQAEXNE-OLZOCXBDSA-N 2 1 242.363 0.194 20 0 BCADMP C[NH2+]CCCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866704134 589513532 /nfs/dbraw/zinc/51/35/32/589513532.db2.gz QNQNFXKKILPQMQ-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866702716 589513536 /nfs/dbraw/zinc/51/35/36/589513536.db2.gz AIOAKNGIXHYMDR-JHJVBQTASA-N 2 1 223.364 0.622 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000866704747 589513714 /nfs/dbraw/zinc/51/37/14/589513714.db2.gz XKZFLEQCCMCGMT-AGIUHOORSA-N 2 1 239.363 0.001 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705961 589514341 /nfs/dbraw/zinc/51/43/41/589514341.db2.gz DCJLRJITVTYOOR-GXFFZTMASA-N 2 1 241.379 0.947 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720357 589515155 /nfs/dbraw/zinc/51/51/55/589515155.db2.gz JTSAHPIZOZTHPB-OLZOCXBDSA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720357 589515156 /nfs/dbraw/zinc/51/51/56/589515156.db2.gz JTSAHPIZOZTHPB-OLZOCXBDSA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720356 589515278 /nfs/dbraw/zinc/51/52/78/589515278.db2.gz JTSAHPIZOZTHPB-CHWSQXEVSA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720356 589515279 /nfs/dbraw/zinc/51/52/79/589515279.db2.gz JTSAHPIZOZTHPB-CHWSQXEVSA-N 3 1 223.364 0.812 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000870928964 589697639 /nfs/dbraw/zinc/69/76/39/589697639.db2.gz NICAIGMHNQUEJZ-KXUCPTDWSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000870928953 589697857 /nfs/dbraw/zinc/69/78/57/589697857.db2.gz NICAIGMHNQUEJZ-BBBLOLIVSA-N 2 1 225.336 0.465 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981598 589704633 /nfs/dbraw/zinc/70/46/33/589704633.db2.gz JOMIBEZKXVQGRG-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@H]21 ZINC000870981557 589704691 /nfs/dbraw/zinc/70/46/91/589704691.db2.gz JKQKFEPAPUHXPJ-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@@H]21 ZINC000870982260 589705178 /nfs/dbraw/zinc/70/51/78/589705178.db2.gz MDIJDXXCWBHZIH-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982665 589705366 /nfs/dbraw/zinc/70/53/66/589705366.db2.gz OITBNNSUGFSMAR-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870985864 589706166 /nfs/dbraw/zinc/70/61/66/589706166.db2.gz FARGRIZKSHPVLB-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)CCOC ZINC000871603154 589773152 /nfs/dbraw/zinc/77/31/52/589773152.db2.gz HHCKDWINQFIKHZ-NSHDSACASA-N 2 1 242.367 0.573 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000872153640 589885291 /nfs/dbraw/zinc/88/52/91/589885291.db2.gz FNRNIUVCAJDIJV-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@H](O)CNc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 ZINC000872775437 589968508 /nfs/dbraw/zinc/96/85/08/589968508.db2.gz RLJNOMBUQKGMBL-YUMQZZPRSA-N 2 1 225.296 0.028 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000873201944 589992607 /nfs/dbraw/zinc/99/26/07/589992607.db2.gz QOJKHCZJDWXLEY-NWDGAFQWSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000873201944 589992608 /nfs/dbraw/zinc/99/26/08/589992608.db2.gz QOJKHCZJDWXLEY-NWDGAFQWSA-N 3 1 213.369 0.888 20 0 BCADMP C[N@@H+](Cc1cnc(N)cn1)C1CCC([NH3+])CC1 ZINC000873202128 589992620 /nfs/dbraw/zinc/99/26/20/589992620.db2.gz ULSDUTYSQOQBDW-UHFFFAOYSA-N 2 1 235.335 0.761 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000873201945 589992975 /nfs/dbraw/zinc/99/29/75/589992975.db2.gz QOJKHCZJDWXLEY-RYUDHWBXSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000873201945 589992978 /nfs/dbraw/zinc/99/29/78/589992978.db2.gz QOJKHCZJDWXLEY-RYUDHWBXSA-N 3 1 213.369 0.888 20 0 BCADMP C[C@H]([NH2+]Cc1cnc(N)cn1)[C@H]1CCC[NH2+]C1 ZINC000873210893 589995572 /nfs/dbraw/zinc/99/55/72/589995572.db2.gz RVVFZXJWEZFOMW-UWVGGRQHSA-N 2 1 235.335 0.537 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213660 589997501 /nfs/dbraw/zinc/99/75/01/589997501.db2.gz LGGFECDYNIREGS-VWYCJHECSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213660 589997502 /nfs/dbraw/zinc/99/75/02/589997502.db2.gz LGGFECDYNIREGS-VWYCJHECSA-N 2 1 249.362 0.864 20 0 BCADMP C[N@H+]1CC[C@H]2CN(Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999450 /nfs/dbraw/zinc/99/94/50/589999450.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 1 247.346 0.585 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221020 589999574 /nfs/dbraw/zinc/99/95/74/589999574.db2.gz XEWXGMHXMPNWDI-MDZLAQPJSA-N 3 1 225.380 0.962 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000873221441 589999603 /nfs/dbraw/zinc/99/96/03/589999603.db2.gz KLVCQGFTZXUIDT-GHMZBOCLSA-N 2 1 211.353 0.750 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221018 589999863 /nfs/dbraw/zinc/99/98/63/589999863.db2.gz XEWXGMHXMPNWDI-GVXVVHGQSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228996 590000427 /nfs/dbraw/zinc/00/04/27/590000427.db2.gz NAIURGVKBYRUCZ-XDQVBPFNSA-N 3 1 237.391 0.916 20 0 BCADMP C(N[C@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229789 590001946 /nfs/dbraw/zinc/00/19/46/590001946.db2.gz FZLILNFPHUWCEF-STQMWFEESA-N 2 1 223.364 0.860 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873238869 590005536 /nfs/dbraw/zinc/00/55/36/590005536.db2.gz IOHDGPKSHNFSTI-VTAXGKEESA-N 2 1 236.359 0.997 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000873248689 590007604 /nfs/dbraw/zinc/00/76/04/590007604.db2.gz DOJLAMDPNRNJCK-YFKTTZPYSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000873255039 590010040 /nfs/dbraw/zinc/01/00/40/590010040.db2.gz DOJLAMDPNRNJCK-BJDJZHNGSA-N 2 1 211.353 0.844 20 0 BCADMP N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256533 590011614 /nfs/dbraw/zinc/01/16/14/590011614.db2.gz OYBZJBKTPKJQEN-BJDJZHNGSA-N 2 1 211.353 0.973 20 0 BCADMP N[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261877 590014249 /nfs/dbraw/zinc/01/42/49/590014249.db2.gz SMLUJTOCIMKKRB-FPYNETTCSA-N 2 1 223.364 0.986 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873269256 590015719 /nfs/dbraw/zinc/01/57/19/590015719.db2.gz FFKIDKBPSUTFHG-ADEWGFFLSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270383 590015984 /nfs/dbraw/zinc/01/59/84/590015984.db2.gz RVEKBRDWAVUCFY-DMDPSCGWSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccnn1C ZINC000873276470 590017860 /nfs/dbraw/zinc/01/78/60/590017860.db2.gz UKKHJOJUCFFUOW-IUCAKERBSA-N 2 1 208.309 0.679 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873283540 590019602 /nfs/dbraw/zinc/01/96/02/590019602.db2.gz WESDSYUULYWCFE-WOPDTQHZSA-N 2 1 240.347 0.917 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000873838917 590074884 /nfs/dbraw/zinc/07/48/84/590074884.db2.gz DAZFUBCCYUMSKS-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299911 590103177 /nfs/dbraw/zinc/10/31/77/590103177.db2.gz DNZNWQRMPIINCH-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874837710 590138494 /nfs/dbraw/zinc/13/84/94/590138494.db2.gz JDIDRCODEYBRIK-WDEREUQCSA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874837710 590138495 /nfs/dbraw/zinc/13/84/95/590138495.db2.gz JDIDRCODEYBRIK-WDEREUQCSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735306 590234271 /nfs/dbraw/zinc/23/42/71/590234271.db2.gz CZYYDBOKYANIHU-QWRGUYRKSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732666 590234403 /nfs/dbraw/zinc/23/44/03/590234403.db2.gz CGNIGQKYXLSANW-MXWKQRLJSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735305 590234685 /nfs/dbraw/zinc/23/46/85/590234685.db2.gz CZYYDBOKYANIHU-MNOVXSKESA-N 2 1 239.363 0.570 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735307 590234688 /nfs/dbraw/zinc/23/46/88/590234688.db2.gz CZYYDBOKYANIHU-WDEREUQCSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737457 590235124 /nfs/dbraw/zinc/23/51/24/590235124.db2.gz QWADFSUOYIZTLG-MWLCHTKSSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876806260 590244349 /nfs/dbraw/zinc/24/43/49/590244349.db2.gz MIUOTZGULWNZFF-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876806035 590244597 /nfs/dbraw/zinc/24/45/97/590244597.db2.gz JFVSEFYHTOOPAJ-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)[NH+](C)C ZINC000876851213 590249298 /nfs/dbraw/zinc/24/92/98/590249298.db2.gz FDTNJWCSNIVKTD-IUCAKERBSA-N 2 1 249.305 0.392 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876851195 590249582 /nfs/dbraw/zinc/24/95/82/590249582.db2.gz DLOJTLTWFULAOT-HTQZYQBOSA-N 2 1 235.278 0.050 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000876882860 590252696 /nfs/dbraw/zinc/25/26/96/590252696.db2.gz UHSGUFHSVUFEKH-DTWKUNHWSA-N 2 1 222.292 0.399 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956280 590260795 /nfs/dbraw/zinc/26/07/95/590260795.db2.gz ITFKJRIRYUYEON-UTUOFQBUSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956281 590261069 /nfs/dbraw/zinc/26/10/69/590261069.db2.gz ITFKJRIRYUYEON-WOPDTQHZSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000877102774 590283685 /nfs/dbraw/zinc/28/36/85/590283685.db2.gz DLLBBNXLBWSTFD-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000877102772 590283807 /nfs/dbraw/zinc/28/38/07/590283807.db2.gz DLLBBNXLBWSTFD-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000877108740 590286211 /nfs/dbraw/zinc/28/62/11/590286211.db2.gz WGPSVCHVPPFBJD-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877251056 590303771 /nfs/dbraw/zinc/30/37/71/590303771.db2.gz WYHGDNXUTMPESO-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391045 590322513 /nfs/dbraw/zinc/32/25/13/590322513.db2.gz MAMONKIYHVSBKF-DGCLKSJQSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CCc1cncn1C)CC(=O)NC ZINC000877986276 590465677 /nfs/dbraw/zinc/46/56/77/590465677.db2.gz IOEXUVZYOSAOQW-UHFFFAOYSA-N 2 1 224.308 0.031 20 0 BCADMP CCN(CCc1cncn1C)CC(=O)NC ZINC000877986276 590465678 /nfs/dbraw/zinc/46/56/78/590465678.db2.gz IOEXUVZYOSAOQW-UHFFFAOYSA-N 2 1 224.308 0.031 20 0 BCADMP CN(C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000878864801 590634895 /nfs/dbraw/zinc/63/48/95/590634895.db2.gz AJXFPTATBKYHGR-CHWSQXEVSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000878864801 590634898 /nfs/dbraw/zinc/63/48/98/590634898.db2.gz AJXFPTATBKYHGR-CHWSQXEVSA-N 2 1 242.363 0.146 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572164 590808508 /nfs/dbraw/zinc/80/85/08/590808508.db2.gz FYOSMPQFMAFJCV-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572164 590808513 /nfs/dbraw/zinc/80/85/13/590808513.db2.gz FYOSMPQFMAFJCV-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572164 590808516 /nfs/dbraw/zinc/80/85/16/590808516.db2.gz FYOSMPQFMAFJCV-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572164 590808521 /nfs/dbraw/zinc/80/85/21/590808521.db2.gz FYOSMPQFMAFJCV-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000879573489 590809846 /nfs/dbraw/zinc/80/98/46/590809846.db2.gz OWFCEDQIIGAETB-NEPJUHHUSA-N 2 1 228.336 0.021 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000879573489 590809849 /nfs/dbraw/zinc/80/98/49/590809849.db2.gz OWFCEDQIIGAETB-NEPJUHHUSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000879573489 590809853 /nfs/dbraw/zinc/80/98/53/590809853.db2.gz OWFCEDQIIGAETB-NEPJUHHUSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000879573489 590809856 /nfs/dbraw/zinc/80/98/56/590809856.db2.gz OWFCEDQIIGAETB-NEPJUHHUSA-N 2 1 228.336 0.021 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573769 590811735 /nfs/dbraw/zinc/81/17/35/590811735.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573769 590811737 /nfs/dbraw/zinc/81/17/37/590811737.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573769 590811738 /nfs/dbraw/zinc/81/17/38/590811738.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)CC[C@H]21 ZINC000879578286 590813746 /nfs/dbraw/zinc/81/37/46/590813746.db2.gz CMPRVYZFIKHBNQ-FRRDWIJNSA-N 2 1 240.347 0.428 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)CC[C@H]21 ZINC000879578286 590813750 /nfs/dbraw/zinc/81/37/50/590813750.db2.gz CMPRVYZFIKHBNQ-FRRDWIJNSA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3COCCO3)CC[C@H]21 ZINC000879578286 590813754 /nfs/dbraw/zinc/81/37/54/590813754.db2.gz CMPRVYZFIKHBNQ-FRRDWIJNSA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3COCCO3)CC[C@H]21 ZINC000879578286 590813757 /nfs/dbraw/zinc/81/37/57/590813757.db2.gz CMPRVYZFIKHBNQ-FRRDWIJNSA-N 2 1 240.347 0.428 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)CC[C@@H]21 ZINC000879578284 590814253 /nfs/dbraw/zinc/81/42/53/590814253.db2.gz CMPRVYZFIKHBNQ-AGIUHOORSA-N 2 1 240.347 0.428 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)CC[C@@H]21 ZINC000879578284 590814257 /nfs/dbraw/zinc/81/42/57/590814257.db2.gz CMPRVYZFIKHBNQ-AGIUHOORSA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3COCCO3)CC[C@@H]21 ZINC000879578284 590814259 /nfs/dbraw/zinc/81/42/59/590814259.db2.gz CMPRVYZFIKHBNQ-AGIUHOORSA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3COCCO3)CC[C@@H]21 ZINC000879578284 590814264 /nfs/dbraw/zinc/81/42/64/590814264.db2.gz CMPRVYZFIKHBNQ-AGIUHOORSA-N 2 1 240.347 0.428 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579641 590816581 /nfs/dbraw/zinc/81/65/81/590816581.db2.gz AOFAHUSFNQOKLY-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579641 590816583 /nfs/dbraw/zinc/81/65/83/590816583.db2.gz AOFAHUSFNQOKLY-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579641 590816587 /nfs/dbraw/zinc/81/65/87/590816587.db2.gz AOFAHUSFNQOKLY-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579641 590816591 /nfs/dbraw/zinc/81/65/91/590816591.db2.gz AOFAHUSFNQOKLY-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578613 590817340 /nfs/dbraw/zinc/81/73/40/590817340.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578613 590817337 /nfs/dbraw/zinc/81/73/37/590817337.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578613 590817343 /nfs/dbraw/zinc/81/73/43/590817343.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)nn1 ZINC000879579566 590818546 /nfs/dbraw/zinc/81/85/46/590818546.db2.gz NZOOPXLXAJUZJT-DGCLKSJQSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)nn1 ZINC000879579566 590818549 /nfs/dbraw/zinc/81/85/49/590818549.db2.gz NZOOPXLXAJUZJT-DGCLKSJQSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nn1 ZINC000879579566 590818551 /nfs/dbraw/zinc/81/85/51/590818551.db2.gz NZOOPXLXAJUZJT-DGCLKSJQSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nn1 ZINC000879579566 590818553 /nfs/dbraw/zinc/81/85/53/590818553.db2.gz NZOOPXLXAJUZJT-DGCLKSJQSA-N 2 1 249.362 0.384 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579243 590818836 /nfs/dbraw/zinc/81/88/36/590818836.db2.gz KMCKYSDMHQMKSU-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579243 590818838 /nfs/dbraw/zinc/81/88/38/590818838.db2.gz KMCKYSDMHQMKSU-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579243 590818843 /nfs/dbraw/zinc/81/88/43/590818843.db2.gz KMCKYSDMHQMKSU-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579243 590818847 /nfs/dbraw/zinc/81/88/47/590818847.db2.gz KMCKYSDMHQMKSU-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581339 590820551 /nfs/dbraw/zinc/82/05/51/590820551.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879581339 590820554 /nfs/dbraw/zinc/82/05/54/590820554.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879581339 590820559 /nfs/dbraw/zinc/82/05/59/590820559.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 2 1 242.363 0.674 20 0 BCADMP Cn1cncc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583360 590820614 /nfs/dbraw/zinc/82/06/14/590820614.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583360 590820616 /nfs/dbraw/zinc/82/06/16/590820616.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583360 590820618 /nfs/dbraw/zinc/82/06/18/590820618.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583360 590820620 /nfs/dbraw/zinc/82/06/20/590820620.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 2 1 248.374 0.989 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000882486934 591364454 /nfs/dbraw/zinc/36/44/54/591364454.db2.gz YPZKLKKCSPWHQJ-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC000882495439 591377576 /nfs/dbraw/zinc/37/75/76/591377576.db2.gz IDRHHTJHYQOWPX-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC000882495439 591377582 /nfs/dbraw/zinc/37/75/82/591377582.db2.gz IDRHHTJHYQOWPX-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000882496143 591378355 /nfs/dbraw/zinc/37/83/55/591378355.db2.gz PEBNNXYYJBTJBJ-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP COCCOC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000130258660 591452089 /nfs/dbraw/zinc/45/20/89/591452089.db2.gz KCRKPDVDYRBAAY-NSHDSACASA-N 2 1 230.352 0.722 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000883429013 591660137 /nfs/dbraw/zinc/66/01/37/591660137.db2.gz JFJLFPPDGLAWKA-PWSUYJOCSA-N 2 1 220.320 0.256 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430996 591661770 /nfs/dbraw/zinc/66/17/70/591661770.db2.gz JXXPLYBAZPQSDB-BJDJZHNGSA-N 2 1 229.343 0.711 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430999 591661876 /nfs/dbraw/zinc/66/18/76/591661876.db2.gz JXXPLYBAZPQSDB-WYUUTHIRSA-N 2 1 229.343 0.711 20 0 BCADMP CCCS(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000883442648 591670065 /nfs/dbraw/zinc/67/00/65/591670065.db2.gz PPTKDBAYTFSVAO-UWVGGRQHSA-N 2 1 248.392 0.527 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461159 591673606 /nfs/dbraw/zinc/67/36/06/591673606.db2.gz OWCPSWAALDXYTK-JHJVBQTASA-N 2 1 242.363 0.722 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883461932 591674677 /nfs/dbraw/zinc/67/46/77/591674677.db2.gz GJVXVPZMNNXDOT-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883461932 591674679 /nfs/dbraw/zinc/67/46/79/591674679.db2.gz GJVXVPZMNNXDOT-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698077 591722200 /nfs/dbraw/zinc/72/22/00/591722200.db2.gz XGEXRJBFIVQLOE-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP [NH3+]Cc1ocnc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017663 591800738 /nfs/dbraw/zinc/80/07/38/591800738.db2.gz BVDAJTMPUJPCBL-MRVPVSSYSA-N 2 1 238.291 0.005 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC(F)(F)C[NH3+] ZINC000884253820 591885826 /nfs/dbraw/zinc/88/58/26/591885826.db2.gz VEPTVOUBRZWBDI-QMMMGPOBSA-N 2 1 237.294 0.331 20 0 BCADMP [NH3+][C@H](CC1CC1)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000884289939 591895124 /nfs/dbraw/zinc/89/51/24/591895124.db2.gz NLRPMRSKAADEFN-RKDXNWHRSA-N 2 1 247.289 0.179 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364109 591916680 /nfs/dbraw/zinc/91/66/80/591916680.db2.gz NLFGDYJWWBROPC-NXEZZACHSA-N 2 1 236.319 0.434 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363928 591916687 /nfs/dbraw/zinc/91/66/87/591916687.db2.gz KXUNVXXTTKMZAT-ZJUUUORDSA-N 2 1 236.319 0.434 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884366326 591917466 /nfs/dbraw/zinc/91/74/66/591917466.db2.gz XTFOVFRROTZUBN-GARJFASQSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+](CCO)CCNc1cc[nH+]cc1Cl ZINC000884824992 592022419 /nfs/dbraw/zinc/02/24/19/592022419.db2.gz ZAGLWXFGXMCJQO-UHFFFAOYSA-N 2 1 229.711 0.493 20 0 BCADMP C[N@@H+](CCO)CCNc1cc[nH+]cc1Cl ZINC000884824992 592022421 /nfs/dbraw/zinc/02/24/21/592022421.db2.gz ZAGLWXFGXMCJQO-UHFFFAOYSA-N 2 1 229.711 0.493 20 0 BCADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961392 592116127 /nfs/dbraw/zinc/11/61/27/592116127.db2.gz XBFJAIXCPDUXNU-QNWHQSFQSA-N 2 1 222.332 0.564 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000137448641 592183702 /nfs/dbraw/zinc/18/37/02/592183702.db2.gz KKQPPIOPTIUYRQ-USWWRNFRSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886346588 592213685 /nfs/dbraw/zinc/21/36/85/592213685.db2.gz LKLGNPPZWRWQBL-TXEJJXNPSA-N 2 1 237.347 0.102 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886346588 592213687 /nfs/dbraw/zinc/21/36/87/592213687.db2.gz LKLGNPPZWRWQBL-TXEJJXNPSA-N 2 1 237.347 0.102 20 0 BCADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[NH2+]CC1 ZINC000886827412 592349625 /nfs/dbraw/zinc/34/96/25/592349625.db2.gz KOQXJBUGLPWJOZ-NWDGAFQWSA-N 2 1 210.321 0.708 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827132 592349913 /nfs/dbraw/zinc/34/99/13/592349913.db2.gz FHGVDZOGHXMAHV-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827132 592349917 /nfs/dbraw/zinc/34/99/17/592349917.db2.gz FHGVDZOGHXMAHV-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828196 592351230 /nfs/dbraw/zinc/35/12/30/592351230.db2.gz ZABDFWCUDOHTHV-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CCO1 ZINC000886833014 592357096 /nfs/dbraw/zinc/35/70/96/592357096.db2.gz ROWPBXLFJOOWHA-QJPTWQEYSA-N 2 1 226.320 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CCO1 ZINC000886833014 592357102 /nfs/dbraw/zinc/35/71/02/592357102.db2.gz ROWPBXLFJOOWHA-QJPTWQEYSA-N 2 1 226.320 0.073 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886840328 592360385 /nfs/dbraw/zinc/36/03/85/592360385.db2.gz ZEXRCWRUUPSTOG-BJDJZHNGSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886840329 592361073 /nfs/dbraw/zinc/36/10/73/592361073.db2.gz ZEXRCWRUUPSTOG-FIQHERPVSA-N 2 1 210.321 0.835 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857939 592369991 /nfs/dbraw/zinc/36/99/91/592369991.db2.gz GLKDOPZHSGGVKC-AXFHLTTASA-N 2 1 230.377 0.252 20 0 BCADMP C([C@@H]1CNCCO1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859955 592371137 /nfs/dbraw/zinc/37/11/37/592371137.db2.gz LURNNICIPLGZPZ-AVGNSLFASA-N 2 1 240.347 0.476 20 0 BCADMP O=C1NCC[C@@H]1[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874038 592376328 /nfs/dbraw/zinc/37/63/28/592376328.db2.gz FDHXWBYKVNIGKO-AAEUAGOBSA-N 2 1 237.347 0.341 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874038 592376334 /nfs/dbraw/zinc/37/63/34/592376334.db2.gz FDHXWBYKVNIGKO-AAEUAGOBSA-N 2 1 237.347 0.341 20 0 BCADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCO ZINC000887131080 592449175 /nfs/dbraw/zinc/44/91/75/592449175.db2.gz QQEJNOZRRQJHBX-GFCCVEGCSA-N 2 1 235.331 0.975 20 0 BCADMP C[C@@H](CNC(=[NH2+])NCC1CC1)[N@@H+](C)C1CC1 ZINC000887352938 592486503 /nfs/dbraw/zinc/48/65/03/592486503.db2.gz VGELIQXCMSWITB-VIFPVBQESA-N 2 1 224.352 0.993 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354304 592487400 /nfs/dbraw/zinc/48/74/00/592487400.db2.gz YNIXAYIJMUMQLV-SNVBAGLBSA-N 2 1 224.352 0.852 20 0 BCADMP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000302692020 592552184 /nfs/dbraw/zinc/55/21/84/592552184.db2.gz SUNUMUCTTDTFTE-PWSUYJOCSA-N 2 1 237.347 0.467 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000302716087 592553407 /nfs/dbraw/zinc/55/34/07/592553407.db2.gz ZIHBCIXEAHSLAX-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703041 634380037 /nfs/dbraw/zinc/38/00/37/634380037.db2.gz SDHNZVGUKXKRAB-QWRGUYRKSA-N 3 1 211.353 0.846 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925703670 634381611 /nfs/dbraw/zinc/38/16/11/634381611.db2.gz AXBWEWGMQUMBEJ-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000925706903 634392793 /nfs/dbraw/zinc/39/27/93/634392793.db2.gz OWYSHNIRKHYNGH-GHMZBOCLSA-N 2 1 237.351 0.478 20 0 BCADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709726 634406975 /nfs/dbraw/zinc/40/69/75/634406975.db2.gz QCZXZNQTYCGKIS-GRYCIOLGSA-N 2 1 235.375 0.988 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925712445 634415147 /nfs/dbraw/zinc/41/51/47/634415147.db2.gz UWXSDFYYKBRDNS-WDEREUQCSA-N 3 1 223.364 0.859 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1CO ZINC000124775725 634432371 /nfs/dbraw/zinc/43/23/71/634432371.db2.gz DGBLSRBJCWJEGF-NSHDSACASA-N 2 1 200.326 0.833 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716575 634449185 /nfs/dbraw/zinc/44/91/85/634449185.db2.gz AJUJMBSUYJVSBI-SDDRHHMPSA-N 2 1 223.364 0.940 20 0 BCADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215675 634457784 /nfs/dbraw/zinc/45/77/84/634457784.db2.gz KWFTUUICERKPAX-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433241 634542480 /nfs/dbraw/zinc/54/24/80/634542480.db2.gz HKPWMHUNBGWCML-ZYHUDNBSSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433241 634542483 /nfs/dbraw/zinc/54/24/83/634542483.db2.gz HKPWMHUNBGWCML-ZYHUDNBSSA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000313983242 634573774 /nfs/dbraw/zinc/57/37/74/634573774.db2.gz MPUAKHHSYUDISS-SNVBAGLBSA-N 2 1 211.309 0.713 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000925791864 635321854 /nfs/dbraw/zinc/32/18/54/635321854.db2.gz SQEDZWAODBGSGV-VOAKCMCISA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000925890706 635616591 /nfs/dbraw/zinc/61/65/91/635616591.db2.gz QPJFPSCMONPOJP-MXWKQRLJSA-N 2 1 249.362 0.403 20 0 BCADMP C1C[C@H]([NH2+][C@H]2CNOC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925865019 635566677 /nfs/dbraw/zinc/56/66/77/635566677.db2.gz OHFLSYQZDYOFFV-RVMXOQNASA-N 2 1 239.363 0.790 20 0 BCADMP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000925876093 635599001 /nfs/dbraw/zinc/59/90/01/635599001.db2.gz XGTVINFNRHRBNJ-SDDRHHMPSA-N 2 1 228.336 0.522 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000308574669 631434615 /nfs/dbraw/zinc/43/46/15/631434615.db2.gz DAHKIYFOZSRIOJ-VHSXEESVSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCn3cccn3)C[C@]2(C)C1 ZINC000933734766 631495396 /nfs/dbraw/zinc/49/53/96/631495396.db2.gz WLTYGJYOAJLTDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CCn3cccn3)C[C@]2(C)C1 ZINC000933734766 631495400 /nfs/dbraw/zinc/49/54/00/631495400.db2.gz WLTYGJYOAJLTDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000933734766 631495408 /nfs/dbraw/zinc/49/54/08/631495408.db2.gz WLTYGJYOAJLTDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000933734766 631495415 /nfs/dbraw/zinc/49/54/15/631495415.db2.gz WLTYGJYOAJLTDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000308871926 631699590 /nfs/dbraw/zinc/69/95/90/631699590.db2.gz SOVNNGKIXRGCRD-QWRGUYRKSA-N 2 1 218.341 0.048 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892101886 631729484 /nfs/dbraw/zinc/72/94/84/631729484.db2.gz FWCYEEMNPKRMKZ-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000308941725 631744435 /nfs/dbraw/zinc/74/44/35/631744435.db2.gz VCAACWJKIWOYQU-UHFFFAOYSA-N 2 1 215.341 0.526 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022713235 631811078 /nfs/dbraw/zinc/81/10/78/631811078.db2.gz IMWYFKIDEAGHCO-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000044646745 631819999 /nfs/dbraw/zinc/81/99/99/631819999.db2.gz MMSZGMVAMVSWIH-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](CO)C2CC2)CC1 ZINC000309047928 631822865 /nfs/dbraw/zinc/82/28/65/631822865.db2.gz PLPRWAJWIKIZPO-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](CCn1cncn1)C1CCC([NH3+])CC1 ZINC000309212186 631970408 /nfs/dbraw/zinc/97/04/08/631970408.db2.gz OGTMVULSWKBYSA-UHFFFAOYSA-N 2 1 223.324 0.480 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC)C1)[NH+](C)C ZINC000972353744 631971366 /nfs/dbraw/zinc/97/13/66/631971366.db2.gz HTKLNAIDIIXUAZ-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919199 632012028 /nfs/dbraw/zinc/01/20/28/632012028.db2.gz MHGWBHNUEMSONU-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224127 632015777 /nfs/dbraw/zinc/01/57/77/632015777.db2.gz OYFRMGHLRIUDKY-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224127 632015784 /nfs/dbraw/zinc/01/57/84/632015784.db2.gz OYFRMGHLRIUDKY-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235128597 632036471 /nfs/dbraw/zinc/03/64/71/632036471.db2.gz HMWBRPMODOEJOC-WDEREUQCSA-N 2 1 208.309 0.613 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000052042186 632053341 /nfs/dbraw/zinc/05/33/41/632053341.db2.gz SOEIMVHUHNHCQV-SNVBAGLBSA-N 2 1 212.341 0.851 20 0 BCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1CCC[NH3+] ZINC000108362562 635816584 /nfs/dbraw/zinc/81/65/84/635816584.db2.gz SSNSCKPAGRAVJM-GFCCVEGCSA-N 2 1 213.369 0.997 20 0 BCADMP CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCC[NH3+] ZINC000108362562 635816589 /nfs/dbraw/zinc/81/65/89/635816589.db2.gz SSNSCKPAGRAVJM-GFCCVEGCSA-N 2 1 213.369 0.997 20 0 BCADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CCC[NH3+] ZINC000108362562 635816593 /nfs/dbraw/zinc/81/65/93/635816593.db2.gz SSNSCKPAGRAVJM-GFCCVEGCSA-N 2 1 213.369 0.997 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000309515590 632435412 /nfs/dbraw/zinc/43/54/12/632435412.db2.gz YPUVFKNHZAUOJM-VOMCLLRMSA-N 3 1 211.353 0.798 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130139526 632439292 /nfs/dbraw/zinc/43/92/92/632439292.db2.gz MNCNNPRXMOZKPN-QJPTWQEYSA-N 2 1 241.379 0.959 20 0 BCADMP COC[C@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130232901 632441857 /nfs/dbraw/zinc/44/18/57/632441857.db2.gz FQXWNDKTBQXVJR-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP COC1CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300241772 632465287 /nfs/dbraw/zinc/46/52/87/632465287.db2.gz PGPZGXBIVMBABZ-PYNQCMFNSA-N 2 1 240.347 0.617 20 0 BCADMP COC1CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300241772 632465293 /nfs/dbraw/zinc/46/52/93/632465293.db2.gz PGPZGXBIVMBABZ-PYNQCMFNSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251551300 632552149 /nfs/dbraw/zinc/55/21/49/632552149.db2.gz BFWOSDOHVZBAHZ-OUAUKWLOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251551300 632552144 /nfs/dbraw/zinc/55/21/44/632552144.db2.gz BFWOSDOHVZBAHZ-OUAUKWLOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193146 632566960 /nfs/dbraw/zinc/56/69/60/632566960.db2.gz OHDKTMPFDNBLBX-OUAUKWLOSA-N 2 1 227.352 0.380 20 0 BCADMP Cl/C=C/C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000308970706 632600436 /nfs/dbraw/zinc/60/04/36/632600436.db2.gz PEMGGVPPVYQXMI-VEPLAOFISA-N 2 1 229.755 0.718 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089743287 632659047 /nfs/dbraw/zinc/65/90/47/632659047.db2.gz YOOMDHDSAXCHAO-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000310166468 632705734 /nfs/dbraw/zinc/70/57/34/632705734.db2.gz NLYONHQDJGKLDJ-LBPRGKRZSA-N 2 1 237.347 0.420 20 0 BCADMP COCCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000066245415 632860768 /nfs/dbraw/zinc/86/07/68/632860768.db2.gz WGZXWZXPINYIQU-UHFFFAOYSA-N 2 1 230.356 0.267 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](CO)C2)CC1 ZINC000309363467 632973645 /nfs/dbraw/zinc/97/36/45/632973645.db2.gz MVLPRKXOOPKUOY-LBPRGKRZSA-N 2 1 228.336 0.021 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309371793 632985809 /nfs/dbraw/zinc/98/58/09/632985809.db2.gz FJDWHEGEQDMLLA-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000309393385 633009398 /nfs/dbraw/zinc/00/93/98/633009398.db2.gz CJORNRRNPIWOIO-UMNHJUIQSA-N 2 1 224.304 0.363 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000309393385 633009401 /nfs/dbraw/zinc/00/94/01/633009401.db2.gz CJORNRRNPIWOIO-UMNHJUIQSA-N 2 1 224.304 0.363 20 0 BCADMP C[N@@H+](CCNC(=O)[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861461 633128401 /nfs/dbraw/zinc/12/84/01/633128401.db2.gz CMOPFQLSZLWRAR-CYBMUJFWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000928432311 635919629 /nfs/dbraw/zinc/91/96/29/635919629.db2.gz DVFHLNCBBCDKIS-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000928432311 635919632 /nfs/dbraw/zinc/91/96/32/635919632.db2.gz DVFHLNCBBCDKIS-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122310747 633207638 /nfs/dbraw/zinc/20/76/38/633207638.db2.gz VICNZOXVPXNTNV-CHWSQXEVSA-N 2 1 241.379 0.235 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928444407 635948208 /nfs/dbraw/zinc/94/82/08/635948208.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928444407 635948211 /nfs/dbraw/zinc/94/82/11/635948211.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928444407 635948216 /nfs/dbraw/zinc/94/82/16/635948216.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928444407 635948219 /nfs/dbraw/zinc/94/82/19/635948219.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC000928453661 635996389 /nfs/dbraw/zinc/99/63/89/635996389.db2.gz YINPWHZUMJAXTA-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559766 636102380 /nfs/dbraw/zinc/10/23/80/636102380.db2.gz NQJRACWMDNDMRA-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559766 636102383 /nfs/dbraw/zinc/10/23/83/636102383.db2.gz NQJRACWMDNDMRA-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000928558209 636100309 /nfs/dbraw/zinc/10/03/09/636100309.db2.gz IVLMSSPSZYPIIZ-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928560187 636104251 /nfs/dbraw/zinc/10/42/51/636104251.db2.gz PVUIEULDHVUEQE-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP C1CC1[N@H+]1CC[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328509071 633773433 /nfs/dbraw/zinc/77/34/33/633773433.db2.gz ZTOGLUPRUVEGTC-YQHHGQFNSA-N 2 1 247.386 0.809 20 0 BCADMP C(COCC1CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328569310 633778669 /nfs/dbraw/zinc/77/86/69/633778669.db2.gz QGKZAYOSUVOLKF-QSLWVIQJSA-N 2 1 236.359 0.999 20 0 BCADMP CC(C)OCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328571118 633779057 /nfs/dbraw/zinc/77/90/57/633779057.db2.gz SFGLVEMGIOSNRD-NWBUJAPZSA-N 2 1 224.348 0.997 20 0 BCADMP C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CO1 ZINC000328574516 633779286 /nfs/dbraw/zinc/77/92/86/633779286.db2.gz WZGHEMCIYQCCQI-KTWSDMTRSA-N 2 1 208.305 0.361 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328570402 633779936 /nfs/dbraw/zinc/77/99/36/633779936.db2.gz ROQLVSUIIVTNCU-BSCCGWMCSA-N 2 1 235.375 0.667 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020028665 633806990 /nfs/dbraw/zinc/80/69/90/633806990.db2.gz GNSGIIHUSCGVEE-GMTAPVOTSA-N 2 1 243.326 0.287 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925506219 633838528 /nfs/dbraw/zinc/83/85/28/633838528.db2.gz YDOQLTKLJUZIAU-JTQLQIEISA-N 2 1 239.363 0.762 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983010 634025083 /nfs/dbraw/zinc/02/50/83/634025083.db2.gz NLWVWGXHLGZBCF-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C1[NH2+][C@H]2[C@H]([NH2+][C@H]3CCCOC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925667173 634243190 /nfs/dbraw/zinc/24/31/90/634243190.db2.gz AGRGWTDOZABGIC-MCDVFOBDSA-N 2 1 222.332 0.751 20 0 BCADMP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCCO1 ZINC000925680305 634278037 /nfs/dbraw/zinc/27/80/37/634278037.db2.gz QBODZQSBQAMALO-NURVWSNCSA-N 2 1 222.332 0.751 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000925686881 634300564 /nfs/dbraw/zinc/30/05/64/634300564.db2.gz ZDWDWFMPEWQBAY-BXKDBHETSA-N 2 1 225.336 0.385 20 0 BCADMP COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277038 634304132 /nfs/dbraw/zinc/30/41/32/634304132.db2.gz GCPALOLOCXNSQT-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277038 634304134 /nfs/dbraw/zinc/30/41/34/634304134.db2.gz GCPALOLOCXNSQT-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001026734586 634311633 /nfs/dbraw/zinc/31/16/33/634311633.db2.gz PYHLVKBDACWBHE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925694754 634336681 /nfs/dbraw/zinc/33/66/81/634336681.db2.gz SPNWVOOVSGOZMH-QJPTWQEYSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925694759 634337094 /nfs/dbraw/zinc/33/70/94/634337094.db2.gz SPNWVOOVSGOZMH-TUAOUCFPSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925694755 634338245 /nfs/dbraw/zinc/33/82/45/634338245.db2.gz SPNWVOOVSGOZMH-SDDRHHMPSA-N 3 1 211.353 0.716 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC[C@@H]1CC[NH2+]C1 ZINC000925695221 634345428 /nfs/dbraw/zinc/34/54/28/634345428.db2.gz UNXYDMDIEMDZMO-WDEREUQCSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696975 634358244 /nfs/dbraw/zinc/35/82/44/634358244.db2.gz CJQRZBXWKBEWPM-WISYIIOYSA-N 3 1 225.380 0.947 20 0 BCADMP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699331 634367085 /nfs/dbraw/zinc/36/70/85/634367085.db2.gz ODLKXBOCVIUWED-UONOGXRCSA-N 3 1 237.391 0.964 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NCC(F)(F)C[NH3+] ZINC000925699657 634367206 /nfs/dbraw/zinc/36/72/06/634367206.db2.gz PFAYXPSMPGGUIW-JGVFFNPUSA-N 2 1 207.268 0.311 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925701823 634375755 /nfs/dbraw/zinc/37/57/55/634375755.db2.gz GIJFQRDGHMGUKI-OUAUKWLOSA-N 2 1 237.347 0.515 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925791864 635321827 /nfs/dbraw/zinc/32/18/27/635321827.db2.gz SQEDZWAODBGSGV-VOAKCMCISA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925791864 635321835 /nfs/dbraw/zinc/32/18/35/635321835.db2.gz SQEDZWAODBGSGV-VOAKCMCISA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925791864 635321846 /nfs/dbraw/zinc/32/18/46/635321846.db2.gz SQEDZWAODBGSGV-VOAKCMCISA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000925791486 635321636 /nfs/dbraw/zinc/32/16/36/635321636.db2.gz QWZLUYVVQQBSHP-UHXUPSOCSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791486 635321649 /nfs/dbraw/zinc/32/16/49/635321649.db2.gz QWZLUYVVQQBSHP-UHXUPSOCSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]1N ZINC000925798886 635338598 /nfs/dbraw/zinc/33/85/98/635338598.db2.gz XHETYROXZOKWPT-KKOKHZNYSA-N 2 1 211.353 0.701 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000925798890 635340459 /nfs/dbraw/zinc/34/04/59/635340459.db2.gz XHETYROXZOKWPT-WYUUTHIRSA-N 2 1 211.353 0.701 20 0 BCADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CN3C[C@@H]1CCC3)C2 ZINC000925812518 635367669 /nfs/dbraw/zinc/36/76/69/635367669.db2.gz IMFRXQOXURAYIX-AVGNSLFASA-N 2 1 246.358 0.882 20 0 BCADMP OC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000894273237 635802589 /nfs/dbraw/zinc/80/25/89/635802589.db2.gz JJPNXXDSTCJXCB-ZDUSSCGKSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000928442148 635945226 /nfs/dbraw/zinc/94/52/26/635945226.db2.gz QPIRAVOJEHPVAN-QWRGUYRKSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000418316284 636541274 /nfs/dbraw/zinc/54/12/74/636541274.db2.gz JMCZHWQSBHGWJY-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154694 636573431 /nfs/dbraw/zinc/57/34/31/636573431.db2.gz WHDKSXOFYGADKI-MROQNXINSA-N 2 1 224.348 0.953 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000323014942 636888258 /nfs/dbraw/zinc/88/82/58/636888258.db2.gz IJFYXFYNIACYGG-YEJSDXFRSA-N 2 1 239.363 0.726 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C[NH+](C)C ZINC000926957675 636971232 /nfs/dbraw/zinc/97/12/32/636971232.db2.gz BZKIVPKQCLFTKV-YNEHKIRRSA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](COC)C1CC1)C[NH+](C)C ZINC000926961185 636973677 /nfs/dbraw/zinc/97/36/77/636973677.db2.gz IFRYEURYYCRWOI-OLZOCXBDSA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCCOC1)C[NH+](C)C ZINC000926966999 636977070 /nfs/dbraw/zinc/97/70/70/636977070.db2.gz ZEVZIVSQBUXBLN-NWDGAFQWSA-N 2 1 230.352 0.722 20 0 BCADMP C[N@H+](C[C@H]1CCCCO1)C1(C[NH3+])CCOCC1 ZINC000042463666 637263005 /nfs/dbraw/zinc/26/30/05/637263005.db2.gz RKDUOTCRWULMKP-GFCCVEGCSA-N 2 1 242.363 0.995 20 0 BCADMP C[N@@H+](C[C@H]1CCCCO1)C1(C[NH3+])CCOCC1 ZINC000042463666 637263022 /nfs/dbraw/zinc/26/30/22/637263022.db2.gz RKDUOTCRWULMKP-GFCCVEGCSA-N 2 1 242.363 0.995 20 0 BCADMP OCc1cc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000042490970 637273768 /nfs/dbraw/zinc/27/37/68/637273768.db2.gz FWALUPVKIOEMBH-UHFFFAOYSA-N 2 1 233.315 0.858 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000903551322 637372345 /nfs/dbraw/zinc/37/23/45/637372345.db2.gz FHGVDZOGHXMAHV-WOPDTQHZSA-N 2 1 210.321 0.836 20 0 BCADMP OCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722809 637379716 /nfs/dbraw/zinc/37/97/16/637379716.db2.gz DNOMIDBNHDILNZ-STQMWFEESA-N 2 1 240.347 0.212 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1C[NH3+] ZINC000903788271 637381144 /nfs/dbraw/zinc/38/11/44/637381144.db2.gz HIKVHDMTZOSVSU-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nn1 ZINC000903788862 637383654 /nfs/dbraw/zinc/38/36/54/637383654.db2.gz RTFQRLXYJABESV-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000904444859 637412547 /nfs/dbraw/zinc/41/25/47/637412547.db2.gz TUUMWZALAANDTR-UHFFFAOYSA-N 3 1 231.343 0.913 20 0 BCADMP NC1(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000904444859 637412549 /nfs/dbraw/zinc/41/25/49/637412549.db2.gz TUUMWZALAANDTR-UHFFFAOYSA-N 2 1 231.343 0.913 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000904469466 637422584 /nfs/dbraw/zinc/42/25/84/637422584.db2.gz MZJJPNHYOCZPJZ-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+](C)C ZINC000905042655 637562148 /nfs/dbraw/zinc/56/21/48/637562148.db2.gz PWBZQJIEEHQUJF-UWVGGRQHSA-N 2 1 244.408 0.946 20 0 BCADMP CC(C)[N@H+](C)Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000905058209 637592083 /nfs/dbraw/zinc/59/20/83/637592083.db2.gz FRELSPWYRJKERZ-NSHDSACASA-N 2 1 223.324 0.653 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000905058209 637592087 /nfs/dbraw/zinc/59/20/87/637592087.db2.gz FRELSPWYRJKERZ-NSHDSACASA-N 2 1 223.324 0.653 20 0 BCADMP [NH3+]C1(c2noc(CC3CC[NH2+]CC3)n2)CC1 ZINC000905316136 637742696 /nfs/dbraw/zinc/74/26/96/637742696.db2.gz AOZABHUCRGPSCX-UHFFFAOYSA-N 2 1 222.292 0.560 20 0 BCADMP [NH3+]C1(c2noc([C@@H]3CCC[NH2+]CC3)n2)CC1 ZINC000905327785 637759943 /nfs/dbraw/zinc/75/99/43/637759943.db2.gz VBYQIVXFVDCLEN-MRVPVSSYSA-N 2 1 222.292 0.875 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905330475 637780013 /nfs/dbraw/zinc/78/00/13/637780013.db2.gz LNTFVCIVSKPCME-SSDOTTSWSA-N 2 1 222.292 0.730 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905332512 637780242 /nfs/dbraw/zinc/78/02/42/637780242.db2.gz WRQJDGDRQDXHRS-NKWVEPMBSA-N 2 1 222.292 0.858 20 0 BCADMP C[C@H]1[C@H](NC(=S)NCC[NH+](C)C)CC[N@H+]1C ZINC000905647634 637881985 /nfs/dbraw/zinc/88/19/85/637881985.db2.gz KPRJWYSWZNZELS-VHSXEESVSA-N 2 1 244.408 0.105 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H](O)C1CC1)C1CC1 ZINC000905689492 637884160 /nfs/dbraw/zinc/88/41/60/637884160.db2.gz ARWXIABBWKRXAE-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H](O)C1CC1)C1CC1 ZINC000905689492 637884163 /nfs/dbraw/zinc/88/41/63/637884163.db2.gz ARWXIABBWKRXAE-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672111 637885031 /nfs/dbraw/zinc/88/50/31/637885031.db2.gz UPYPXQUMROWADC-GCZXYKMCSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672111 637885034 /nfs/dbraw/zinc/88/50/34/637885034.db2.gz UPYPXQUMROWADC-GCZXYKMCSA-N 2 1 242.363 0.192 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000908349727 638660102 /nfs/dbraw/zinc/66/01/02/638660102.db2.gz SSPBDLUECQIRPY-SDDRHHMPSA-N 2 1 239.363 0.489 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CCCCCC[NH3+] ZINC000385889778 711466593 /nfs/dbraw/zinc/46/65/93/711466593.db2.gz YXPBFIVQAYRQJZ-NSHDSACASA-N 2 1 218.341 0.445 20 0 BCADMP C[NH2+][C@H]1CCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000150251553 639466244 /nfs/dbraw/zinc/46/62/44/639466244.db2.gz IKDZVJROXIFXNK-VIFPVBQESA-N 2 1 221.308 0.341 20 0 BCADMP C[NH2+]CCCNC(=O)c1nc(C[NH3+])sc1C ZINC000911678251 639721202 /nfs/dbraw/zinc/72/12/02/639721202.db2.gz ZPXKPNQOPVRRTO-UHFFFAOYSA-N 2 1 242.348 0.250 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000911740600 639768284 /nfs/dbraw/zinc/76/82/84/639768284.db2.gz MPJXNTGMLBSXBW-QWRGUYRKSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)c1cnc(C[NH3+])s1 ZINC000911745969 639772007 /nfs/dbraw/zinc/77/20/07/639772007.db2.gz RUCWOIXXECYNHJ-LURJTMIESA-N 2 1 228.321 0.069 20 0 BCADMP CC(C)(C[NH3+])NC(=O)c1cnc(C[NH3+])s1 ZINC000911762291 639789312 /nfs/dbraw/zinc/78/93/12/639789312.db2.gz BGHWXSUBOKNHJK-UHFFFAOYSA-N 2 1 228.321 0.069 20 0 BCADMP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911762426 639789884 /nfs/dbraw/zinc/78/98/84/639789884.db2.gz AFISRYSWUCNXLS-RYUDHWBXSA-N 2 1 245.326 0.718 20 0 BCADMP C[C@H]([NH3+])c1nc(C(=O)NC(C)(C)C[NH3+])cs1 ZINC000911762943 639789942 /nfs/dbraw/zinc/78/99/42/639789942.db2.gz SSJOZOWZWHXSQN-LURJTMIESA-N 2 1 242.348 0.630 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930600740 639816563 /nfs/dbraw/zinc/81/65/63/639816563.db2.gz AOXFBZVVUUFICA-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930600740 639816564 /nfs/dbraw/zinc/81/65/64/639816564.db2.gz AOXFBZVVUUFICA-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930600740 639816565 /nfs/dbraw/zinc/81/65/65/639816565.db2.gz AOXFBZVVUUFICA-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833327 639845421 /nfs/dbraw/zinc/84/54/21/639845421.db2.gz KRVJWZFYDZWKED-VXGBXAGGSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH+](C)CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912377000 640046738 /nfs/dbraw/zinc/04/67/38/640046738.db2.gz BVWVBJQIQDUTTM-LBPRGKRZSA-N 2 1 225.336 0.149 20 0 BCADMP COC[C@@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312495 640146003 /nfs/dbraw/zinc/14/60/03/640146003.db2.gz TUOWLQSKFWRSDS-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP Cn1cncc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931438009 640198435 /nfs/dbraw/zinc/19/84/35/640198435.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cncc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438009 640198439 /nfs/dbraw/zinc/19/84/39/640198439.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438009 640198442 /nfs/dbraw/zinc/19/84/42/640198442.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cncc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931438009 640198444 /nfs/dbraw/zinc/19/84/44/640198444.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cncc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931438009 640198450 /nfs/dbraw/zinc/19/84/50/640198450.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP COC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435177 640201831 /nfs/dbraw/zinc/20/18/31/640201831.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435177 640201835 /nfs/dbraw/zinc/20/18/35/640201835.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435177 640201845 /nfs/dbraw/zinc/20/18/45/640201845.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP C[C@@H](O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437168 640204515 /nfs/dbraw/zinc/20/45/15/640204515.db2.gz NDCHPEZBPRVVOK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437168 640204519 /nfs/dbraw/zinc/20/45/19/640204519.db2.gz NDCHPEZBPRVVOK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437168 640204523 /nfs/dbraw/zinc/20/45/23/640204523.db2.gz NDCHPEZBPRVVOK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP CNC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439310 640205174 /nfs/dbraw/zinc/20/51/74/640205174.db2.gz UGWIQQWQTBYSAR-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439310 640205181 /nfs/dbraw/zinc/20/51/81/640205181.db2.gz UGWIQQWQTBYSAR-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439310 640205189 /nfs/dbraw/zinc/20/51/89/640205189.db2.gz UGWIQQWQTBYSAR-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)C[C@@H]2C1 ZINC000931439290 640205718 /nfs/dbraw/zinc/20/57/18/640205718.db2.gz TYGIBDKUHILNQP-FRRDWIJNSA-N 2 1 240.347 0.285 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205952 /nfs/dbraw/zinc/20/59/52/640205952.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 1 238.360 0.922 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440056 640208732 /nfs/dbraw/zinc/20/87/32/640208732.db2.gz SVIHZMGDEVTHKM-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440056 640208738 /nfs/dbraw/zinc/20/87/38/640208738.db2.gz SVIHZMGDEVTHKM-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440056 640208742 /nfs/dbraw/zinc/20/87/42/640208742.db2.gz SVIHZMGDEVTHKM-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512369 640241051 /nfs/dbraw/zinc/24/10/51/640241051.db2.gz XVSULTCBCUIUJC-VIFPVBQESA-N 2 1 221.304 0.793 20 0 BCADMP CC[C@H](O)C[N@H+]1CCc2nccc(N)c2C1 ZINC000931512369 640241059 /nfs/dbraw/zinc/24/10/59/640241059.db2.gz XVSULTCBCUIUJC-VIFPVBQESA-N 2 1 221.304 0.793 20 0 BCADMP Nc1ccnc2c1CN(CCn1cccn1)CC2 ZINC000931511430 640242009 /nfs/dbraw/zinc/24/20/09/640242009.db2.gz MEZLNQWRZJIMKH-UHFFFAOYSA-N 2 1 243.314 0.919 20 0 BCADMP CC[C@@H](O)C[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512368 640242804 /nfs/dbraw/zinc/24/28/04/640242804.db2.gz XVSULTCBCUIUJC-SECBINFHSA-N 2 1 221.304 0.793 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCc2nccc(N)c2C1 ZINC000931512368 640242808 /nfs/dbraw/zinc/24/28/08/640242808.db2.gz XVSULTCBCUIUJC-SECBINFHSA-N 2 1 221.304 0.793 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156349992 640438837 /nfs/dbraw/zinc/43/88/37/640438837.db2.gz NBQQTYNYGSKULV-VWYCJHECSA-N 2 1 216.325 0.066 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164391476 640475610 /nfs/dbraw/zinc/47/56/10/640475610.db2.gz BBDCPNNEIAGCOL-YFKTTZPYSA-N 2 1 212.337 0.817 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164406758 640482084 /nfs/dbraw/zinc/48/20/84/640482084.db2.gz RDVMLUUHVAXUSF-QCNOEVLYSA-N 2 1 228.336 0.053 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000167666237 640740445 /nfs/dbraw/zinc/74/04/45/640740445.db2.gz RBSXBQKIMOKBDY-VGMNWLOBSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000167666237 640740450 /nfs/dbraw/zinc/74/04/50/640740450.db2.gz RBSXBQKIMOKBDY-VGMNWLOBSA-N 2 1 240.269 0.826 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC000933732873 640754863 /nfs/dbraw/zinc/75/48/63/640754863.db2.gz CTZUPNVAMGYFOS-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC000933732873 640754864 /nfs/dbraw/zinc/75/48/64/640754864.db2.gz CTZUPNVAMGYFOS-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC000933732873 640754866 /nfs/dbraw/zinc/75/48/66/640754866.db2.gz CTZUPNVAMGYFOS-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CC3(C)COC3)C[C@]2(C)C1 ZINC000933733794 640756113 /nfs/dbraw/zinc/75/61/13/640756113.db2.gz IQCWSQBSRWWBJS-YPMHNXCESA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)COC3)C[C@]2(C)C1 ZINC000933733794 640756116 /nfs/dbraw/zinc/75/61/16/640756116.db2.gz IQCWSQBSRWWBJS-YPMHNXCESA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)COC3)C[C@]2(C)C1 ZINC000933733794 640756122 /nfs/dbraw/zinc/75/61/22/640756122.db2.gz IQCWSQBSRWWBJS-YPMHNXCESA-N 2 1 224.348 0.906 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3COCCO3)C[C@]2(C)C1 ZINC000933734194 640760160 /nfs/dbraw/zinc/76/01/60/640760160.db2.gz NQVVIIQTHKKODB-AGIUHOORSA-N 2 1 240.347 0.285 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3COCCO3)C[C@]2(C)C1 ZINC000933734194 640760164 /nfs/dbraw/zinc/76/01/64/640760164.db2.gz NQVVIIQTHKKODB-AGIUHOORSA-N 2 1 240.347 0.285 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3COCCO3)C[C@]2(C)C1 ZINC000933734194 640760175 /nfs/dbraw/zinc/76/01/75/640760175.db2.gz NQVVIIQTHKKODB-AGIUHOORSA-N 2 1 240.347 0.285 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3COCCO3)C[C@]2(C)C1 ZINC000933734194 640760180 /nfs/dbraw/zinc/76/01/80/640760180.db2.gz NQVVIIQTHKKODB-AGIUHOORSA-N 2 1 240.347 0.285 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403727 640760870 /nfs/dbraw/zinc/76/08/70/640760870.db2.gz KGHUYPSDLAIZHM-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP C[N@@H+](CCCCCCO)CCN1CC[NH2+]CC1 ZINC000226420448 640762527 /nfs/dbraw/zinc/76/25/27/640762527.db2.gz WCXQLSSPNQPKQC-UHFFFAOYSA-N 2 1 243.395 0.376 20 0 BCADMP Cn1cc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000226418910 640762804 /nfs/dbraw/zinc/76/28/04/640762804.db2.gz GHTYUNYKNGBOCM-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000227211584 640820527 /nfs/dbraw/zinc/82/05/27/640820527.db2.gz XCRSAKJKRMULPO-XLPZGREQSA-N 2 1 226.242 0.579 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000227211584 640820530 /nfs/dbraw/zinc/82/05/30/640820530.db2.gz XCRSAKJKRMULPO-XLPZGREQSA-N 2 1 226.242 0.579 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212740 640821419 /nfs/dbraw/zinc/82/14/19/640821419.db2.gz ZYFJCQAREHTESE-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766148 640848154 /nfs/dbraw/zinc/84/81/54/640848154.db2.gz QXLOUGGVZAWNRX-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767855 640848195 /nfs/dbraw/zinc/84/81/95/640848195.db2.gz DKQZCWUTVYWOEY-UWVGGRQHSA-N 2 1 213.325 0.039 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767138 640848200 /nfs/dbraw/zinc/84/82/00/640848200.db2.gz AANNFPAGAOUKDM-RYUDHWBXSA-N 2 1 241.379 0.675 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767665 640848216 /nfs/dbraw/zinc/84/82/16/640848216.db2.gz IHVIVCITQCQPPB-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000230063716 641011061 /nfs/dbraw/zinc/01/10/61/641011061.db2.gz XQIGCUQMWZELHN-SKDRFNHKSA-N 2 1 239.363 0.713 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000230900144 641116234 /nfs/dbraw/zinc/11/62/34/641116234.db2.gz JKOKVLCFKYRXGB-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000307942724 641198378 /nfs/dbraw/zinc/19/83/78/641198378.db2.gz PZXZMEXDEIGDDU-BDAKNGLRSA-N 2 1 240.269 0.969 20 0 BCADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000307942724 641198385 /nfs/dbraw/zinc/19/83/85/641198385.db2.gz PZXZMEXDEIGDDU-BDAKNGLRSA-N 2 1 240.269 0.969 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000232298195 641262956 /nfs/dbraw/zinc/26/29/56/641262956.db2.gz QPSQFNSFWKFQPD-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030892564 641407007 /nfs/dbraw/zinc/40/70/07/641407007.db2.gz FUPBYRURHVDNPD-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](C)CC1 ZINC000913881486 641510915 /nfs/dbraw/zinc/51/09/15/641510915.db2.gz ZLMJEPHDBAVSFF-LLVKDONJSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040864821 641536487 /nfs/dbraw/zinc/53/64/87/641536487.db2.gz BUGJWVMNCGWGAB-UHFFFAOYSA-N 2 1 221.304 0.716 20 0 BCADMP OCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000212455362 641640618 /nfs/dbraw/zinc/64/06/18/641640618.db2.gz CAELXKOBCQOXDD-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[N@H+]1C ZINC000158967962 641660344 /nfs/dbraw/zinc/66/03/44/641660344.db2.gz XSBIPDHHDJXQSB-ZJUUUORDSA-N 2 1 248.330 0.876 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445765 641709273 /nfs/dbraw/zinc/70/92/73/641709273.db2.gz QBNPXIFCXKXWHM-NKWVEPMBSA-N 2 1 212.215 0.190 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445765 641709278 /nfs/dbraw/zinc/70/92/78/641709278.db2.gz QBNPXIFCXKXWHM-NKWVEPMBSA-N 2 1 212.215 0.190 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925414517 641727677 /nfs/dbraw/zinc/72/76/77/641727677.db2.gz NOSKRHWTJGDPTJ-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848474 641762237 /nfs/dbraw/zinc/76/22/37/641762237.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848474 641762241 /nfs/dbraw/zinc/76/22/41/641762241.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848474 641762247 /nfs/dbraw/zinc/76/22/47/641762247.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 2 1 242.363 0.144 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000916112984 641909168 /nfs/dbraw/zinc/90/91/68/641909168.db2.gz DCXNMWDSYFZPCN-LLVKDONJSA-N 2 1 242.367 0.330 20 0 BCADMP CCCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031384759 642049991 /nfs/dbraw/zinc/04/99/91/642049991.db2.gz LBHJGWNKVOVKHS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CCCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031384759 642049997 /nfs/dbraw/zinc/04/99/97/642049997.db2.gz LBHJGWNKVOVKHS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP Cc1cc(CC[NH+]2CCC([NH3+])CC2)on1 ZINC000238523447 642344199 /nfs/dbraw/zinc/34/41/99/642344199.db2.gz RJJDYZDKSUIDRP-UHFFFAOYSA-N 2 1 209.293 0.949 20 0 BCADMP C[NH+](C)CCCNC(=S)N[C@H]1CC[N@@H+](C)C1 ZINC000919717432 642381112 /nfs/dbraw/zinc/38/11/12/642381112.db2.gz HFWXJLXJTWDYAH-JTQLQIEISA-N 2 1 244.408 0.106 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253236769 642632775 /nfs/dbraw/zinc/63/27/75/642632775.db2.gz OCQANUFYAOFVSQ-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253236769 642632778 /nfs/dbraw/zinc/63/27/78/642632778.db2.gz OCQANUFYAOFVSQ-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000068890906 642806730 /nfs/dbraw/zinc/80/67/30/642806730.db2.gz JRAGREYLGPEALV-GARJFASQSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000068890906 642806735 /nfs/dbraw/zinc/80/67/35/642806735.db2.gz JRAGREYLGPEALV-GARJFASQSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000068890888 642806414 /nfs/dbraw/zinc/80/64/14/642806414.db2.gz ITYHMKRSPRLNGQ-AXFHLTTASA-N 2 1 216.325 0.053 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968921971 642821067 /nfs/dbraw/zinc/82/10/67/642821067.db2.gz PNLQSZOKSSDTDR-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969099911 642822392 /nfs/dbraw/zinc/82/23/92/642822392.db2.gz VAHRSHYSNQYLNW-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C[C@H](O)COCC)C1CC[NH2+]CC1 ZINC000069280006 642845697 /nfs/dbraw/zinc/84/56/97/642845697.db2.gz JOOIKUSYMJPLAH-ZDUSSCGKSA-N 2 1 244.379 0.848 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252215822 642887931 /nfs/dbraw/zinc/88/79/31/642887931.db2.gz XQLUPKBPDXGXOD-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252215822 642887934 /nfs/dbraw/zinc/88/79/34/642887934.db2.gz XQLUPKBPDXGXOD-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252683876 642890876 /nfs/dbraw/zinc/89/08/76/642890876.db2.gz FJAYZHYBSOPLSD-GMTAPVOTSA-N 2 1 216.325 0.195 20 0 BCADMP Cc1nonc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069795637 642907992 /nfs/dbraw/zinc/90/79/92/642907992.db2.gz DASHBDZDJRQJGF-JTQLQIEISA-N 2 1 224.308 0.939 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019381222 643031398 /nfs/dbraw/zinc/03/13/98/643031398.db2.gz BEOWUEORTDUQNI-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186876 643281934 /nfs/dbraw/zinc/28/19/34/643281934.db2.gz YMIXOAGEFFGJNG-LLVKDONJSA-N 2 1 225.336 0.006 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000082560264 643343415 /nfs/dbraw/zinc/34/34/15/643343415.db2.gz QAUOMXKOCLTFLF-WYUUTHIRSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000082560264 643343419 /nfs/dbraw/zinc/34/34/19/643343419.db2.gz QAUOMXKOCLTFLF-WYUUTHIRSA-N 2 1 212.337 0.951 20 0 BCADMP O=C1OCC[C@@H]1[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843386598 643362914 /nfs/dbraw/zinc/36/29/14/643362914.db2.gz AVUGDDLCZRXBMD-UTUOFQBUSA-N 2 1 238.331 0.623 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082679988 643365334 /nfs/dbraw/zinc/36/53/34/643365334.db2.gz YVOLYDFRMZNMAA-CIUDSAMLSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082679988 643365341 /nfs/dbraw/zinc/36/53/41/643365341.db2.gz YVOLYDFRMZNMAA-CIUDSAMLSA-N 2 1 240.269 0.969 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021044213 643393166 /nfs/dbraw/zinc/39/31/66/643393166.db2.gz KFNHZXJHDSJNLK-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000733868857 643476666 /nfs/dbraw/zinc/47/66/66/643476666.db2.gz CTIIUWRBHJATQY-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000082474938 643508934 /nfs/dbraw/zinc/50/89/34/643508934.db2.gz RKLMGBWHJOZSHX-WPRPVWTQSA-N 2 1 212.293 0.361 20 0 BCADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000084218071 643650981 /nfs/dbraw/zinc/65/09/81/643650981.db2.gz YIEVQYXCWAHUKY-VXGBXAGGSA-N 2 1 211.353 0.799 20 0 BCADMP CNc1cc(NC[C@H](C)[NH+](C)C)nc[nH+]1 ZINC000087825507 643674910 /nfs/dbraw/zinc/67/49/10/643674910.db2.gz OIQWRRMOKICHEK-QMMMGPOBSA-N 2 1 209.297 0.880 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870145 643824305 /nfs/dbraw/zinc/82/43/05/643824305.db2.gz WKRMUOFUDJOAOJ-UHFFFAOYSA-N 2 1 213.325 0.276 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000922161844 643884160 /nfs/dbraw/zinc/88/41/60/643884160.db2.gz YBBVERBGVYZSOF-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCO[C@H]1C)C[NH+](C)C ZINC000922754954 644087536 /nfs/dbraw/zinc/08/75/36/644087536.db2.gz WAODJVFIKMTJNB-TUAOUCFPSA-N 2 1 230.352 0.720 20 0 BCADMP OC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000923004478 644228224 /nfs/dbraw/zinc/22/82/24/644228224.db2.gz FDZIICJRLYUAJT-LPWJVIDDSA-N 2 1 224.348 0.974 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277146 644308641 /nfs/dbraw/zinc/30/86/41/644308641.db2.gz LCNXSCBGVXJNGA-SECBINFHSA-N 2 1 204.339 0.006 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277146 644308646 /nfs/dbraw/zinc/30/86/46/644308646.db2.gz LCNXSCBGVXJNGA-SECBINFHSA-N 2 1 204.339 0.006 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)CSC)C1 ZINC000923283741 644309741 /nfs/dbraw/zinc/30/97/41/644309741.db2.gz XVIOHBYCSXKVRS-QWRGUYRKSA-N 2 1 232.393 0.642 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279924 644312802 /nfs/dbraw/zinc/31/28/02/644312802.db2.gz SJHUFMXILRSEJD-SNVBAGLBSA-N 2 1 218.366 0.394 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280948 644315697 /nfs/dbraw/zinc/31/56/97/644315697.db2.gz MGJGZRGLUQCCNB-VXGBXAGGSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280948 644315700 /nfs/dbraw/zinc/31/57/00/644315700.db2.gz MGJGZRGLUQCCNB-VXGBXAGGSA-N 2 1 239.363 0.036 20 0 BCADMP CCOCC[C@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923285364 644318947 /nfs/dbraw/zinc/31/89/47/644318947.db2.gz AJHLEUICBIHZBQ-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282765 644319056 /nfs/dbraw/zinc/31/90/56/644319056.db2.gz XQMTUKVHIACEIF-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288967 644322088 /nfs/dbraw/zinc/32/20/88/644322088.db2.gz NGLNVBOQDKMGBI-AEJSXWLSSA-N 2 1 218.366 0.379 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923289733 644322201 /nfs/dbraw/zinc/32/22/01/644322201.db2.gz LBCGEZZHODASPB-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CCOC(C)C)C1 ZINC000923289184 644322718 /nfs/dbraw/zinc/32/27/18/644322718.db2.gz GPRYPHSLHSJVQL-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000923289183 644323197 /nfs/dbraw/zinc/32/31/97/644323197.db2.gz GPRYPHSLHSJVQL-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000923290833 644325994 /nfs/dbraw/zinc/32/59/94/644325994.db2.gz OSNAQNWPNWACEH-STQMWFEESA-N 2 1 244.379 0.561 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294063 644327933 /nfs/dbraw/zinc/32/79/33/644327933.db2.gz FMOIUQAKQYOTRQ-WXRRBKDZSA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)[C@@](C)(CN)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923295920 644331485 /nfs/dbraw/zinc/33/14/85/644331485.db2.gz KHRAEVZGERWZDI-VXGBXAGGSA-N 2 1 241.379 0.328 20 0 BCADMP C[C@@](CN)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295968 644331592 /nfs/dbraw/zinc/33/15/92/644331592.db2.gz LQSJXTVJQNJFRQ-RYUDHWBXSA-N 2 1 239.363 0.082 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296572 644335761 /nfs/dbraw/zinc/33/57/61/644335761.db2.gz IBSYAXRNOABWSI-USZNOCQGSA-N 3 1 229.368 0.142 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296572 644335763 /nfs/dbraw/zinc/33/57/63/644335763.db2.gz IBSYAXRNOABWSI-USZNOCQGSA-N 3 1 229.368 0.142 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302326 644337042 /nfs/dbraw/zinc/33/70/42/644337042.db2.gz VBEYVODIJYUTLX-QWRGUYRKSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302326 644337045 /nfs/dbraw/zinc/33/70/45/644337045.db2.gz VBEYVODIJYUTLX-QWRGUYRKSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307205 644338206 /nfs/dbraw/zinc/33/82/06/644338206.db2.gz ZEZFOTVVGWQGMC-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307205 644338211 /nfs/dbraw/zinc/33/82/11/644338211.db2.gz ZEZFOTVVGWQGMC-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP CC[C@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307625 644338956 /nfs/dbraw/zinc/33/89/56/644338956.db2.gz YRALWCZMKQMNME-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP CCOC[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923314492 644340055 /nfs/dbraw/zinc/34/00/55/644340055.db2.gz JKBCNCSVZPHNAQ-BJDJZHNGSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305486 644340632 /nfs/dbraw/zinc/34/06/32/644340632.db2.gz CEQVETVBUATORK-LLVKDONJSA-N 2 1 210.321 0.707 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312098 644341460 /nfs/dbraw/zinc/34/14/60/644341460.db2.gz ARGDSRVZAVAHJK-NEPJUHHUSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317852 644344191 /nfs/dbraw/zinc/34/41/91/644344191.db2.gz WXUPQDCNZBDLFZ-QWRGUYRKSA-N 2 1 228.336 0.068 20 0 BCADMP CC(C)[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318188 644344812 /nfs/dbraw/zinc/34/48/12/644344812.db2.gz JJDFLPDOYOZFBM-RHYQMDGZSA-N 2 1 212.337 0.815 20 0 BCADMP C[C@H]1CSCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315293 644345072 /nfs/dbraw/zinc/34/50/72/644345072.db2.gz FWHFWNPRZMMCTG-WDEREUQCSA-N 2 1 242.388 0.802 20 0 BCADMP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923309683 644346354 /nfs/dbraw/zinc/34/63/54/644346354.db2.gz YWDHDNGNBVJXDR-HTFCKZLJSA-N 2 1 228.336 0.336 20 0 BCADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923309683 644346358 /nfs/dbraw/zinc/34/63/58/644346358.db2.gz YWDHDNGNBVJXDR-HTFCKZLJSA-N 2 1 228.336 0.336 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330673 644348198 /nfs/dbraw/zinc/34/81/98/644348198.db2.gz CDHSFNSYCXVAIF-GHMZBOCLSA-N 2 1 230.377 0.396 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330356 644349712 /nfs/dbraw/zinc/34/97/12/644349712.db2.gz CSKWZPSFUATFIK-SRVKXCTJSA-N 3 1 239.363 0.034 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923333734 644355400 /nfs/dbraw/zinc/35/54/00/644355400.db2.gz RVMHUFRKEIJQNE-ZRUFSTJUSA-N 2 1 230.377 0.379 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352359 644369448 /nfs/dbraw/zinc/36/94/48/644369448.db2.gz DEHANCQVHGJALR-GHMZBOCLSA-N 2 1 232.393 0.914 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923332024 644360316 /nfs/dbraw/zinc/36/03/16/644360316.db2.gz OFGQGSZGSCZBCX-AGIUHOORSA-N 2 1 244.379 0.832 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331686 644360954 /nfs/dbraw/zinc/36/09/54/644360954.db2.gz MSJMQMUFIRFRBC-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000923343090 644362979 /nfs/dbraw/zinc/36/29/79/644362979.db2.gz BXYXYMQGJFHTTF-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349700 644363173 /nfs/dbraw/zinc/36/31/73/644363173.db2.gz VUTIUBDTGUCGDF-STQMWFEESA-N 2 1 244.379 0.835 20 0 BCADMP CCCCCC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367434 644378697 /nfs/dbraw/zinc/37/86/97/644378697.db2.gz VBPOARHFYXLGTB-NEPJUHHUSA-N 2 1 232.368 0.569 20 0 BCADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](CN)C1CC1 ZINC000923356274 644373510 /nfs/dbraw/zinc/37/35/10/644373510.db2.gz GPUXJJQUNMXSDF-NWDGAFQWSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](CN)C1CC1 ZINC000923356274 644373515 /nfs/dbraw/zinc/37/35/15/644373515.db2.gz GPUXJJQUNMXSDF-NWDGAFQWSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356274 644373520 /nfs/dbraw/zinc/37/35/20/644373520.db2.gz GPUXJJQUNMXSDF-NWDGAFQWSA-N 3 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356274 644373522 /nfs/dbraw/zinc/37/35/22/644373522.db2.gz GPUXJJQUNMXSDF-NWDGAFQWSA-N 3 1 239.363 0.034 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366233 644376993 /nfs/dbraw/zinc/37/69/93/644376993.db2.gz IGLPOIIQRZRKDE-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923369672 644381037 /nfs/dbraw/zinc/38/10/37/644381037.db2.gz NOBYRWWANJFLNI-SNVBAGLBSA-N 2 1 228.336 0.869 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000923368235 644381413 /nfs/dbraw/zinc/38/14/13/644381413.db2.gz OJPXCKFOICBMPK-MNOVXSKESA-N 2 1 230.352 0.755 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368757 644381825 /nfs/dbraw/zinc/38/18/25/644381825.db2.gz SLZCTBIPPNPPSF-RYUDHWBXSA-N 2 1 246.395 0.983 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923371186 644383152 /nfs/dbraw/zinc/38/31/52/644383152.db2.gz VOHVFYHTCVEVRS-LPWJVIDDSA-N 2 1 242.363 0.768 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923371635 644383318 /nfs/dbraw/zinc/38/33/18/644383318.db2.gz CNYKXHAZTFZBLG-QWHCGFSZSA-N 2 1 244.379 0.881 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362595 644386146 /nfs/dbraw/zinc/38/61/46/644386146.db2.gz PGRPNCQLTGEQDZ-AGIUHOORSA-N 2 1 242.363 0.315 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362603 644387191 /nfs/dbraw/zinc/38/71/91/644387191.db2.gz PGRPNCQLTGEQDZ-RWMBFGLXSA-N 2 1 242.363 0.315 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923361646 644387401 /nfs/dbraw/zinc/38/74/01/644387401.db2.gz JTHJQJSNSHPGBG-MCIGGMRASA-N 2 1 230.352 0.441 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375417 644388376 /nfs/dbraw/zinc/38/83/76/644388376.db2.gz LVOZQISSKGUXPM-STQMWFEESA-N 2 1 244.379 0.956 20 0 BCADMP C[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923373966 644388581 /nfs/dbraw/zinc/38/85/81/644388581.db2.gz QXANNCNFCXAUGS-MWLCHTKSSA-N 2 1 200.326 0.864 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373787 644388973 /nfs/dbraw/zinc/38/89/73/644388973.db2.gz RNJHVUPZGGXVFZ-WOPDTQHZSA-N 2 1 240.347 0.474 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000923377499 644390958 /nfs/dbraw/zinc/39/09/58/644390958.db2.gz LGRIZMFDWIVFPB-GFCCVEGCSA-N 2 1 232.368 0.561 20 0 BCADMP C[C@@H](O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923376894 644391706 /nfs/dbraw/zinc/39/17/06/644391706.db2.gz DQDJZTARLCUXOL-UTUOFQBUSA-N 2 1 240.347 0.068 20 0 BCADMP CC(C)CC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377691 644392091 /nfs/dbraw/zinc/39/20/91/644392091.db2.gz AVASNJZNZBNXDS-CHWSQXEVSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)CC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377695 644392128 /nfs/dbraw/zinc/39/21/28/644392128.db2.gz AVASNJZNZBNXDS-STQMWFEESA-N 2 1 244.379 0.833 20 0 BCADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)O[C@H]1CCOC1 ZINC000923380273 644394726 /nfs/dbraw/zinc/39/47/26/644394726.db2.gz FCUZLTXGHZQUSF-LBPRGKRZSA-N 2 1 240.347 0.620 20 0 BCADMP C[C@@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383711 644395506 /nfs/dbraw/zinc/39/55/06/644395506.db2.gz LXEHUCBZHDWIRT-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000923384080 644395644 /nfs/dbraw/zinc/39/56/44/644395644.db2.gz RYWQORJSDXUQMI-RFGFWPKPSA-N 2 1 247.342 0.722 20 0 BCADMP COC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392181 644397874 /nfs/dbraw/zinc/39/78/74/644397874.db2.gz IBVUDNMZAPJEOW-MOENNCHZSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392181 644397883 /nfs/dbraw/zinc/39/78/83/644397883.db2.gz IBVUDNMZAPJEOW-MOENNCHZSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)C[C@H]1COCCO1 ZINC000923392529 644399819 /nfs/dbraw/zinc/39/98/19/644399819.db2.gz YAFSMQWTEQKZPR-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1COCCO1 ZINC000923392529 644399821 /nfs/dbraw/zinc/39/98/21/644399821.db2.gz YAFSMQWTEQKZPR-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000923395297 644402135 /nfs/dbraw/zinc/40/21/35/644402135.db2.gz RFEYBMOKVMVWEA-CYDGBPFRSA-N 2 1 240.347 0.340 20 0 BCADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398058 644404890 /nfs/dbraw/zinc/40/48/90/644404890.db2.gz JPMGSPJFBZUXKD-YNEHKIRRSA-N 2 1 242.363 0.586 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398058 644404892 /nfs/dbraw/zinc/40/48/92/644404892.db2.gz JPMGSPJFBZUXKD-YNEHKIRRSA-N 2 1 242.363 0.586 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399358 644405435 /nfs/dbraw/zinc/40/54/35/644405435.db2.gz QYEMFBQGENUQEQ-FRRDWIJNSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399358 644405438 /nfs/dbraw/zinc/40/54/38/644405438.db2.gz QYEMFBQGENUQEQ-FRRDWIJNSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923415950 644408647 /nfs/dbraw/zinc/40/86/47/644408647.db2.gz SORTWHPAZWMBCE-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392659 644408836 /nfs/dbraw/zinc/40/88/36/644408836.db2.gz KQEJUPRYHFFPDT-TUAOUCFPSA-N 2 1 230.352 0.586 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408554 644412473 /nfs/dbraw/zinc/41/24/73/644412473.db2.gz AVAPNTOKOZMAJE-UWVGGRQHSA-N 2 1 204.314 0.053 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408554 644412475 /nfs/dbraw/zinc/41/24/75/644412475.db2.gz AVAPNTOKOZMAJE-UWVGGRQHSA-N 2 1 204.314 0.053 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923412760 644414717 /nfs/dbraw/zinc/41/47/17/644414717.db2.gz ASQXMSGHKKAESW-WCQYABFASA-N 2 1 244.379 0.691 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](CF)C2)C1 ZINC000923423715 644418679 /nfs/dbraw/zinc/41/86/79/644418679.db2.gz MKJVCYFVVKVEPE-XKNYDFJKSA-N 2 1 202.273 0.128 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923424376 644419803 /nfs/dbraw/zinc/41/98/03/644419803.db2.gz WZIXSVSHJLRFBP-LLVKDONJSA-N 2 1 244.404 0.928 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426404 644420583 /nfs/dbraw/zinc/42/05/83/644420583.db2.gz CXKXINXYNQTJDK-RYUDHWBXSA-N 2 1 242.363 0.648 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923429651 644421032 /nfs/dbraw/zinc/42/10/32/644421032.db2.gz ZTTZMHWAZGBGGW-WDEREUQCSA-N 2 1 244.404 0.975 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429275 644421432 /nfs/dbraw/zinc/42/14/32/644421432.db2.gz YJQADAQGUOYFTQ-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923426958 644421452 /nfs/dbraw/zinc/42/14/52/644421452.db2.gz PUHSMRPCMSBBNQ-CHWSQXEVSA-N 2 1 242.363 0.864 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923426960 644421560 /nfs/dbraw/zinc/42/15/60/644421560.db2.gz PUHSMRPCMSBBNQ-QWHCGFSZSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432751 644426427 /nfs/dbraw/zinc/42/64/27/644426427.db2.gz JMKBEIGVYJGERS-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP N[C@@]1(CO)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470888 644449482 /nfs/dbraw/zinc/44/94/82/644449482.db2.gz BWEKNEPGSCUZHJ-OLZOCXBDSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@@]1(CO)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470888 644449485 /nfs/dbraw/zinc/44/94/85/644449485.db2.gz BWEKNEPGSCUZHJ-OLZOCXBDSA-N 2 1 241.379 0.162 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869796 644451400 /nfs/dbraw/zinc/45/14/00/644451400.db2.gz QNESSSGSVFBFMD-MCIGGMRASA-N 2 1 230.352 0.586 20 0 BCADMP CCO[C@H](C[N@@H+]1CCC[C@](N)(CO)C1)C1CC1 ZINC000923475192 644452852 /nfs/dbraw/zinc/45/28/52/644452852.db2.gz OJVZODFKUYOPJF-CHWSQXEVSA-N 2 1 242.363 0.587 20 0 BCADMP CCO[C@H](C[N@H+]1CCC[C@](N)(CO)C1)C1CC1 ZINC000923475192 644452857 /nfs/dbraw/zinc/45/28/57/644452857.db2.gz OJVZODFKUYOPJF-CHWSQXEVSA-N 2 1 242.363 0.587 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000923478373 644456694 /nfs/dbraw/zinc/45/66/94/644456694.db2.gz BCLHWBQBPMTZTI-DCAQKATOSA-N 2 1 215.316 0.357 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000923478373 644456701 /nfs/dbraw/zinc/45/67/01/644456701.db2.gz BCLHWBQBPMTZTI-DCAQKATOSA-N 2 1 215.316 0.357 20 0 BCADMP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)[nH]1 ZINC000923480588 644458668 /nfs/dbraw/zinc/45/86/68/644458668.db2.gz JNYGTTAVJSGOBN-PSASIEDQSA-N 2 1 223.324 0.845 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000923483184 644459504 /nfs/dbraw/zinc/45/95/04/644459504.db2.gz NEUGWNJHKBMFHU-SECBINFHSA-N 2 1 222.279 0.939 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480497 644459646 /nfs/dbraw/zinc/45/96/46/644459646.db2.gz HUDMPFDJRDJLRY-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481950 644460339 /nfs/dbraw/zinc/46/03/39/644460339.db2.gz VPIWIZGAHIGXDP-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495292 644462362 /nfs/dbraw/zinc/46/23/62/644462362.db2.gz BFZLKIKKTNGQSQ-LPEHRKFASA-N 2 1 214.309 0.465 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000923488143 644463296 /nfs/dbraw/zinc/46/32/96/644463296.db2.gz QIWPZMQMNOSMNH-SECBINFHSA-N 2 1 238.291 0.284 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000923488143 644463299 /nfs/dbraw/zinc/46/32/99/644463299.db2.gz QIWPZMQMNOSMNH-SECBINFHSA-N 2 1 238.291 0.284 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923490513 644465254 /nfs/dbraw/zinc/46/52/54/644465254.db2.gz ODUHSVHHUFGQNY-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923490513 644465257 /nfs/dbraw/zinc/46/52/57/644465257.db2.gz ODUHSVHHUFGQNY-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923491358 644465646 /nfs/dbraw/zinc/46/56/46/644465646.db2.gz RBWBHTPPAJYZIS-YPMHNXCESA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1C[NH3+] ZINC000923491501 644467280 /nfs/dbraw/zinc/46/72/80/644467280.db2.gz SMZBHZBEVRVGIC-VHSXEESVSA-N 2 1 208.309 0.826 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923491540 644467487 /nfs/dbraw/zinc/46/74/87/644467487.db2.gz SQUZYMMGRMRLDD-VXGBXAGGSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923491548 644468317 /nfs/dbraw/zinc/46/83/17/644468317.db2.gz STYARVMYLATJIA-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493995 644470794 /nfs/dbraw/zinc/47/07/94/644470794.db2.gz VFKDKZKPUMWSEP-YNEHKIRRSA-N 2 1 244.379 0.689 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497311 644470856 /nfs/dbraw/zinc/47/08/56/644470856.db2.gz DOIDRTBAAJAOLV-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP COC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497531 644471970 /nfs/dbraw/zinc/47/19/70/644471970.db2.gz LUQWFDKFLZZYQD-IUCAKERBSA-N 2 1 200.282 0.076 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497760 644472644 /nfs/dbraw/zinc/47/26/44/644472644.db2.gz DLAXMOLLGSCWRP-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499332 644472975 /nfs/dbraw/zinc/47/29/75/644472975.db2.gz JYGKJQUWGDMLPD-HLTSFMKQSA-N 2 1 240.269 0.826 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515006 644477116 /nfs/dbraw/zinc/47/71/16/644477116.db2.gz ACRQRAHNJOYOHM-QWHCGFSZSA-N 2 1 234.347 0.504 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503641 644477843 /nfs/dbraw/zinc/47/78/43/644477843.db2.gz KCJABFVUZANYCJ-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000923516706 644479778 /nfs/dbraw/zinc/47/97/78/644479778.db2.gz OXXVHSIPZJSDGF-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP Cn1cncc1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515988 644481560 /nfs/dbraw/zinc/48/15/60/644481560.db2.gz PTRTVYREXPIPET-NWDGAFQWSA-N 2 1 234.347 0.504 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518720 644484022 /nfs/dbraw/zinc/48/40/22/644484022.db2.gz IAAUEVHNABBNJR-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518720 644484025 /nfs/dbraw/zinc/48/40/25/644484025.db2.gz IAAUEVHNABBNJR-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000923531057 644486438 /nfs/dbraw/zinc/48/64/38/644486438.db2.gz NGPHWZBABXEKCR-BMQDGWLCSA-N 2 1 223.320 0.078 20 0 BCADMP NC(=O)C12CCC(CC1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000923531057 644486432 /nfs/dbraw/zinc/48/64/32/644486432.db2.gz NGPHWZBABXEKCR-BMQDGWLCSA-N 2 1 223.320 0.078 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000923530538 644486958 /nfs/dbraw/zinc/48/69/58/644486958.db2.gz FNDJUNPOJZNQBM-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C1CCC([NH3+])CC1 ZINC000091846734 644641298 /nfs/dbraw/zinc/64/12/98/644641298.db2.gz QLVVEVDVSDGUCC-UHFFFAOYSA-N 2 1 241.379 0.520 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(CO)CC1 ZINC000782601626 644741991 /nfs/dbraw/zinc/74/19/91/644741991.db2.gz QZVMYBZIUDFOOG-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(CO)CC1 ZINC000782601626 644742003 /nfs/dbraw/zinc/74/20/03/644742003.db2.gz QZVMYBZIUDFOOG-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000250020250 644746160 /nfs/dbraw/zinc/74/61/60/644746160.db2.gz YBDKNCOPKSIPNA-RYUDHWBXSA-N 2 1 229.368 0.282 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000250020250 644746164 /nfs/dbraw/zinc/74/61/64/644746164.db2.gz YBDKNCOPKSIPNA-RYUDHWBXSA-N 2 1 229.368 0.282 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250561695 644764181 /nfs/dbraw/zinc/76/41/81/644764181.db2.gz COJMUPZLSYQHLP-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250561695 644764188 /nfs/dbraw/zinc/76/41/88/644764188.db2.gz COJMUPZLSYQHLP-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251077203 644790607 /nfs/dbraw/zinc/79/06/07/644790607.db2.gz GQBHOHPUYSKNJL-MXWKQRLJSA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000251081365 644791496 /nfs/dbraw/zinc/79/14/96/644791496.db2.gz LWRNBOIFQFQKML-OUAUKWLOSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000251081365 644791498 /nfs/dbraw/zinc/79/14/98/644791498.db2.gz LWRNBOIFQFQKML-OUAUKWLOSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251227125 644798662 /nfs/dbraw/zinc/79/86/62/644798662.db2.gz PCQJVSZRMPQSOD-IVZWLZJFSA-N 2 1 213.325 0.167 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566815 644810837 /nfs/dbraw/zinc/81/08/37/644810837.db2.gz BVRNVUKXYYMBLF-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251839000 644826879 /nfs/dbraw/zinc/82/68/79/644826879.db2.gz QGXAUDIGTGGZKQ-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922693 644830493 /nfs/dbraw/zinc/83/04/93/644830493.db2.gz YBXYSARATSPUSO-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP COCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251912988 644830728 /nfs/dbraw/zinc/83/07/28/644830728.db2.gz XIEUFCWTLFVGJJ-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000252683182 644878822 /nfs/dbraw/zinc/87/88/22/644878822.db2.gz DHGIWKRSFCYBEL-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000252683182 644878825 /nfs/dbraw/zinc/87/88/25/644878825.db2.gz DHGIWKRSFCYBEL-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC2(C1)OCCO2 ZINC000843060356 645256428 /nfs/dbraw/zinc/25/64/28/645256428.db2.gz VFMRFZTWLLMTMH-UHFFFAOYSA-N 2 1 226.320 0.435 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843389006 645289044 /nfs/dbraw/zinc/28/90/44/645289044.db2.gz JBQUNAVISROPIT-GFCCVEGCSA-N 2 1 235.331 0.846 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCCCCCC[NH3+] ZINC000843391771 645289132 /nfs/dbraw/zinc/28/91/32/645289132.db2.gz ZNZPVYUFTOEYMP-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]CC)C1 ZINC000844188637 645317270 /nfs/dbraw/zinc/31/72/70/645317270.db2.gz XZZOCPBSCITCGN-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000844187054 645317365 /nfs/dbraw/zinc/31/73/65/645317365.db2.gz CAMXFFRVCRKDKR-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/CO ZINC000926688368 645358778 /nfs/dbraw/zinc/35/87/78/645358778.db2.gz HQJVHSYPOGGZPT-ALPHMJAXSA-N 2 1 210.321 0.465 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(CO)C1 ZINC000926733440 645391441 /nfs/dbraw/zinc/39/14/41/645391441.db2.gz TZVHOZCTUCETGA-FMNWTUGISA-N 2 1 224.348 0.687 20 0 BCADMP CNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849023915 645447137 /nfs/dbraw/zinc/44/71/37/645447137.db2.gz LUAZRTZYLFNYHO-VIFPVBQESA-N 2 1 212.341 0.851 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCO ZINC000849023447 645447349 /nfs/dbraw/zinc/44/73/49/645447349.db2.gz VNKKSBJIJZISLB-LLVKDONJSA-N 2 1 242.367 0.357 20 0 BCADMP COC(=O)[C@@]1(F)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000852753177 645488860 /nfs/dbraw/zinc/48/88/60/645488860.db2.gz AIKWNVBHFUNALY-ZYHUDNBSSA-N 2 1 244.310 0.573 20 0 BCADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488693 645520021 /nfs/dbraw/zinc/52/00/21/645520021.db2.gz VFKPCRZOIHPIDY-NEPJUHHUSA-N 2 1 223.364 0.955 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCOC(F)F ZINC000863554384 645704254 /nfs/dbraw/zinc/70/42/54/645704254.db2.gz YAHPRSBBMJGCIQ-UHFFFAOYSA-N 2 1 226.267 0.393 20 0 BCADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928436434 645759049 /nfs/dbraw/zinc/75/90/49/645759049.db2.gz GCJIPUCYEWADAZ-QJPTWQEYSA-N 2 1 241.379 0.781 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928453715 645777595 /nfs/dbraw/zinc/77/75/95/645777595.db2.gz YQPZSIXBPWANFY-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928453716 645778944 /nfs/dbraw/zinc/77/89/44/645778944.db2.gz YQPZSIXBPWANFY-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCO)C1CC1 ZINC000878421300 645813309 /nfs/dbraw/zinc/81/33/09/645813309.db2.gz ZKRXAMCBLXCLML-GFCCVEGCSA-N 2 1 223.320 0.713 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCO)C1CC1 ZINC000878421301 645814163 /nfs/dbraw/zinc/81/41/63/645814163.db2.gz ZKRXAMCBLXCLML-LBPRGKRZSA-N 2 1 223.320 0.713 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559097 645817086 /nfs/dbraw/zinc/81/70/86/645817086.db2.gz IJAYLXRYEXJSLZ-QWRGUYRKSA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559097 645817090 /nfs/dbraw/zinc/81/70/90/645817090.db2.gz IJAYLXRYEXJSLZ-QWRGUYRKSA-N 2 1 227.352 0.393 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886839580 645891767 /nfs/dbraw/zinc/89/17/67/645891767.db2.gz HWDQSDCQHRMFPZ-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839500 645891850 /nfs/dbraw/zinc/89/18/50/645891850.db2.gz GBZJLBLECCPVBA-VOAKCMCISA-N 2 1 222.332 0.707 20 0 BCADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839500 645891852 /nfs/dbraw/zinc/89/18/52/645891852.db2.gz GBZJLBLECCPVBA-VOAKCMCISA-N 2 1 222.332 0.707 20 0 BCADMP C[N@@H+](CCN[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925499674 645940097 /nfs/dbraw/zinc/94/00/97/645940097.db2.gz SGYRQWRIIBSHBU-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000925011566 646158555 /nfs/dbraw/zinc/15/85/55/646158555.db2.gz QVJNIKYTHGLEIO-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000925011566 646158561 /nfs/dbraw/zinc/15/85/61/646158561.db2.gz QVJNIKYTHGLEIO-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929691191 646246249 /nfs/dbraw/zinc/24/62/49/646246249.db2.gz ZRTAEKABMPXOOZ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929691191 646246255 /nfs/dbraw/zinc/24/62/55/646246255.db2.gz ZRTAEKABMPXOOZ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929750038 646280734 /nfs/dbraw/zinc/28/07/34/646280734.db2.gz RTSWHOFYHHYHAO-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929750038 646280740 /nfs/dbraw/zinc/28/07/40/646280740.db2.gz RTSWHOFYHHYHAO-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479555 646292998 /nfs/dbraw/zinc/29/29/98/646292998.db2.gz BVMVZOYSKJWUAC-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)CO)C1 ZINC000929762597 646293840 /nfs/dbraw/zinc/29/38/40/646293840.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929762597 646293845 /nfs/dbraw/zinc/29/38/45/646293845.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929762597 646293849 /nfs/dbraw/zinc/29/38/49/646293849.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929762597 646293854 /nfs/dbraw/zinc/29/38/54/646293854.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929762597 646293858 /nfs/dbraw/zinc/29/38/58/646293858.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 1 242.363 0.003 20 0 BCADMP C[C@H](CN[C@H]1C[NH2+]CCOC1)[N@@H+](C)C1CC1 ZINC000925496280 646301134 /nfs/dbraw/zinc/30/11/34/646301134.db2.gz PUYPHIULLNCUPO-MNOVXSKESA-N 2 1 227.352 0.047 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)CO)C[C@H]1C ZINC000929779145 646305302 /nfs/dbraw/zinc/30/53/02/646305302.db2.gz DUYZYUMDCAWYAI-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)C[C@H]1C ZINC000929779145 646305306 /nfs/dbraw/zinc/30/53/06/646305306.db2.gz DUYZYUMDCAWYAI-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)C[C@H]1C ZINC000929779145 646305311 /nfs/dbraw/zinc/30/53/11/646305311.db2.gz DUYZYUMDCAWYAI-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929779281 646307459 /nfs/dbraw/zinc/30/74/59/646307459.db2.gz YNMQEMHKNMIKLM-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929779281 646307465 /nfs/dbraw/zinc/30/74/65/646307465.db2.gz YNMQEMHKNMIKLM-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CN1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCC1=O ZINC000925510593 646309333 /nfs/dbraw/zinc/30/93/33/646309333.db2.gz XSFVYUSPMVSTOP-QWRGUYRKSA-N 2 1 237.347 0.481 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925518274 646313524 /nfs/dbraw/zinc/31/35/24/646313524.db2.gz OIKOZVFDYIGSKL-JTQLQIEISA-N 2 1 213.325 0.243 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)O)C1 ZINC000929787694 646316686 /nfs/dbraw/zinc/31/66/86/646316686.db2.gz MJNIIHXGSQVADO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929787694 646316690 /nfs/dbraw/zinc/31/66/90/646316690.db2.gz MJNIIHXGSQVADO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929787694 646316698 /nfs/dbraw/zinc/31/66/98/646316698.db2.gz MJNIIHXGSQVADO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)O)C1 ZINC000929787693 646316759 /nfs/dbraw/zinc/31/67/59/646316759.db2.gz MJNIIHXGSQVADO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929787693 646316764 /nfs/dbraw/zinc/31/67/64/646316764.db2.gz MJNIIHXGSQVADO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929787693 646316771 /nfs/dbraw/zinc/31/67/71/646316771.db2.gz MJNIIHXGSQVADO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000925527359 646317588 /nfs/dbraw/zinc/31/75/88/646317588.db2.gz TXEXHQFEWZQBTO-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925537859 646321207 /nfs/dbraw/zinc/32/12/07/646321207.db2.gz ONOGTNKYXNDYHU-NEPJUHHUSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552799 646328356 /nfs/dbraw/zinc/32/83/56/646328356.db2.gz ZOYMCFDFMSHSPZ-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553479 646328602 /nfs/dbraw/zinc/32/86/02/646328602.db2.gz SLKNMBNEYVNIBL-MDZLAQPJSA-N 2 1 239.363 0.047 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552798 646329530 /nfs/dbraw/zinc/32/95/30/646329530.db2.gz ZOYMCFDFMSHSPZ-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP CCn1cnnc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925575536 646342134 /nfs/dbraw/zinc/34/21/34/646342134.db2.gz VUUSGULZUCUINN-MNOVXSKESA-N 2 1 237.351 0.571 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577614 646344927 /nfs/dbraw/zinc/34/49/27/646344927.db2.gz PCIJZQWENFLLFR-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925605845 646357342 /nfs/dbraw/zinc/35/73/42/646357342.db2.gz GHQPJJMZWOIGEC-SNVBAGLBSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925612092 646360584 /nfs/dbraw/zinc/36/05/84/646360584.db2.gz ILDGFFCFPIKRRC-XQQFMLRXSA-N 2 1 244.379 0.750 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000925614304 646362775 /nfs/dbraw/zinc/36/27/75/646362775.db2.gz IAKLPWFQXQGFLL-PWSUYJOCSA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925618792 646364771 /nfs/dbraw/zinc/36/47/71/646364771.db2.gz JSAAYNJZFVMPEB-UPJWGTAASA-N 2 1 241.379 0.293 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925619187 646366634 /nfs/dbraw/zinc/36/66/34/646366634.db2.gz LINUQSZATFPQOH-GHMZBOCLSA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000925619566 646367000 /nfs/dbraw/zinc/36/70/00/646367000.db2.gz PEROAYKVLLBKPE-NEPJUHHUSA-N 2 1 242.363 0.504 20 0 BCADMP O[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925622977 646370527 /nfs/dbraw/zinc/37/05/27/646370527.db2.gz NTMKBXADSSKFTN-QWRGUYRKSA-N 2 1 242.388 0.729 20 0 BCADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925624408 646370608 /nfs/dbraw/zinc/37/06/08/646370608.db2.gz XBGYIQLYFDZRRI-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925625095 646371786 /nfs/dbraw/zinc/37/17/86/646371786.db2.gz APIVSCYTIMXIHC-VXGBXAGGSA-N 2 1 242.363 0.648 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(O)CCOC1 ZINC000925625459 646372564 /nfs/dbraw/zinc/37/25/64/646372564.db2.gz FNKCOGVWEVDNNI-HNGCFSAESA-N 2 1 240.347 0.068 20 0 BCADMP O[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925625540 646372753 /nfs/dbraw/zinc/37/27/53/646372753.db2.gz IYHJIFUAIGIEHT-VXGBXAGGSA-N 2 1 240.347 0.402 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925640516 646382160 /nfs/dbraw/zinc/38/21/60/646382160.db2.gz IPZMEBGZMVKMDG-SBQNHKMESA-N 2 1 236.359 0.900 20 0 BCADMP Cn1nccc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925641001 646383386 /nfs/dbraw/zinc/38/33/86/646383386.db2.gz XKAJRNJDRTYIBB-LLVKDONJSA-N 2 1 222.336 0.693 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668423 646390280 /nfs/dbraw/zinc/39/02/80/646390280.db2.gz HDFUNAUXMWYPNP-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925652600 646392330 /nfs/dbraw/zinc/39/23/30/646392330.db2.gz GIXNEQDXDMAWSX-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925654020 646392933 /nfs/dbraw/zinc/39/29/33/646392933.db2.gz KAXASDMZEDGXSG-GHMZBOCLSA-N 2 1 228.336 0.258 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925659363 646397070 /nfs/dbraw/zinc/39/70/70/646397070.db2.gz MCCLWOKCYQDYHZ-AKJDGMEZSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC(=O)N1 ZINC000925685356 646411152 /nfs/dbraw/zinc/41/11/52/646411152.db2.gz LLTWYYICPXCQIA-CMPLNLGQSA-N 2 1 237.347 0.529 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925689661 646416521 /nfs/dbraw/zinc/41/65/21/646416521.db2.gz UKWXIHCMSVULDX-QWRGUYRKSA-N 2 1 239.363 0.775 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH2+]C1 ZINC000925694404 646419155 /nfs/dbraw/zinc/41/91/55/646419155.db2.gz UDZHUHRPAQARAD-UXGOBAPMSA-N 2 1 209.337 0.454 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH2+]CC1)[NH2+]2 ZINC000925694410 646419425 /nfs/dbraw/zinc/41/94/25/646419425.db2.gz UINSUYFGNVQRDI-FTYKPCCVSA-N 3 1 223.364 0.857 20 0 BCADMP O[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925695300 646420511 /nfs/dbraw/zinc/42/05/11/646420511.db2.gz VTZKYDKTASIWFW-OJUMWBOWSA-N 2 1 208.305 0.096 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C12CCC2 ZINC000925702616 646424973 /nfs/dbraw/zinc/42/49/73/646424973.db2.gz PCQUJNPZHYDOIJ-WDEREUQCSA-N 2 1 223.364 0.975 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000925702494 646425484 /nfs/dbraw/zinc/42/54/84/646425484.db2.gz AOXCRBMILAQSDJ-QCNOEVLYSA-N 3 1 211.353 0.844 20 0 BCADMP C1[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C12CC[NH2+]CC2 ZINC000925703633 646427207 /nfs/dbraw/zinc/42/72/07/646427207.db2.gz DNMBMDVLLDIPCE-SNIKSBKOSA-N 2 1 247.386 0.715 20 0 BCADMP CC1(C)C[C@@H](NC[C@H]2C[NH2+]CCO2)C[C@@H]([NH3+])C1 ZINC000925704007 646429218 /nfs/dbraw/zinc/42/92/18/646429218.db2.gz FSHGCBAJXSEIIP-GRYCIOLGSA-N 3 1 241.379 0.470 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925719364 646444707 /nfs/dbraw/zinc/44/47/07/646444707.db2.gz SVUIUTDUWFCQKH-LBPRGKRZSA-N 3 1 241.379 0.616 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000925724314 646450417 /nfs/dbraw/zinc/45/04/17/646450417.db2.gz IZZSFNCDGFHYKV-UWVGGRQHSA-N 2 1 235.322 0.913 20 0 BCADMP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726966 646452005 /nfs/dbraw/zinc/45/20/05/646452005.db2.gz MERRBGXJKKGQAB-GMTAPVOTSA-N 2 1 209.337 0.598 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726964 646452072 /nfs/dbraw/zinc/45/20/72/646452072.db2.gz MERRBGXJKKGQAB-AXFHLTTASA-N 2 1 209.337 0.598 20 0 BCADMP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726553 646452557 /nfs/dbraw/zinc/45/25/57/646452557.db2.gz JLFURXDROLOGPZ-IJLUTSLNSA-N 2 1 223.364 0.988 20 0 BCADMP NC(=O)C1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925730218 646453535 /nfs/dbraw/zinc/45/35/35/646453535.db2.gz UMRYDJPANUXSCQ-UDNWOFFPSA-N 2 1 223.320 0.125 20 0 BCADMP CC(C)([NH3+])CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925736955 646460401 /nfs/dbraw/zinc/46/04/01/646460401.db2.gz LSLFNMDJBFKZTB-NWDGAFQWSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925785956 646463721 /nfs/dbraw/zinc/46/37/21/646463721.db2.gz MNBDACSGGBFCOU-NQBHXWOUSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925782218 646478719 /nfs/dbraw/zinc/47/87/19/646478719.db2.gz ISHVVKJPPCSIPZ-DDHJBXDOSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1C ZINC000925782956 646479407 /nfs/dbraw/zinc/47/94/07/646479407.db2.gz BMARAKKSFNHMJU-MXWKQRLJSA-N 2 1 222.336 0.926 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000925810585 646490243 /nfs/dbraw/zinc/49/02/43/646490243.db2.gz FMXOGJNNJREXMI-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP CN1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000925807503 646490795 /nfs/dbraw/zinc/49/07/95/646490795.db2.gz BGLGWXWZYKNDRB-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925829844 646499637 /nfs/dbraw/zinc/49/96/37/646499637.db2.gz AFWKXTFBTZVCHW-WISYIIOYSA-N 2 1 240.347 0.520 20 0 BCADMP C([NH2+][C@@H]1CC[NH2+]C1)[C@]12CCC[C@H]1OCC2 ZINC000925832887 646502554 /nfs/dbraw/zinc/50/25/54/646502554.db2.gz ORWHUIRVQOIMIJ-IJLUTSLNSA-N 2 1 210.321 0.897 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925838726 646506123 /nfs/dbraw/zinc/50/61/23/646506123.db2.gz NQIDZBHAMOMXLW-VWYCJHECSA-N 2 1 225.336 0.100 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925839602 646506865 /nfs/dbraw/zinc/50/68/65/646506865.db2.gz RYFLFBVJQWJQLE-ZJUUUORDSA-N 2 1 225.336 0.243 20 0 BCADMP COC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893933 711544207 /nfs/dbraw/zinc/54/42/07/711544207.db2.gz GPNHMFAUMJSHNB-RKDXNWHRSA-N 2 1 200.282 0.076 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723909442 711544852 /nfs/dbraw/zinc/54/48/52/711544852.db2.gz OLYMYBCWYNNIIU-IWSPIJDZSA-N 2 1 240.269 0.826 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000382289330 711621371 /nfs/dbraw/zinc/62/13/71/711621371.db2.gz QKVWBBWOKKUGIA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2COCC[C@H]2OC)CC1 ZINC000724890436 711625485 /nfs/dbraw/zinc/62/54/85/711625485.db2.gz YUNNPOKQMQPOCS-CHWSQXEVSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724914138 711627433 /nfs/dbraw/zinc/62/74/33/711627433.db2.gz JGMZBHJEWQXMMM-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(C)(C)O)C[C@H]21 ZINC000385273769 711686567 /nfs/dbraw/zinc/68/65/67/711686567.db2.gz YHULJJPLZDHCCE-URLYPYJESA-N 2 1 212.337 0.639 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)O)C[C@H]21 ZINC000385273769 711686568 /nfs/dbraw/zinc/68/65/68/711686568.db2.gz YHULJJPLZDHCCE-URLYPYJESA-N 2 1 212.337 0.639 20 0 BCADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396562492 711701813 /nfs/dbraw/zinc/70/18/13/711701813.db2.gz ILUMXSWYJNOZEQ-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000396649445 711702962 /nfs/dbraw/zinc/70/29/62/711702962.db2.gz DBVLIEKAUSOLPL-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722150250 711712127 /nfs/dbraw/zinc/71/21/27/711712127.db2.gz UDHZZRJOOYEEDY-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724468 711893613 /nfs/dbraw/zinc/89/36/13/711893613.db2.gz QOSFJUPIPUAASI-GHMZBOCLSA-N 2 1 216.325 0.055 20 0 BCADMP COC[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000721918708 711920106 /nfs/dbraw/zinc/92/01/06/711920106.db2.gz LLZOGXYBOYVJDF-CHWSQXEVSA-N 2 1 244.379 0.955 20 0 BCADMP CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000701675832 712027158 /nfs/dbraw/zinc/02/71/58/712027158.db2.gz ZXJZVFHCCRZTBA-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000701675832 712027160 /nfs/dbraw/zinc/02/71/60/712027160.db2.gz ZXJZVFHCCRZTBA-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702621891 712056661 /nfs/dbraw/zinc/05/66/61/712056661.db2.gz CYXQKTJINRBHFO-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702621891 712056662 /nfs/dbraw/zinc/05/66/62/712056662.db2.gz CYXQKTJINRBHFO-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702628734 712057186 /nfs/dbraw/zinc/05/71/86/712057186.db2.gz OSVAOBDNALVGBY-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702628734 712057189 /nfs/dbraw/zinc/05/71/89/712057189.db2.gz OSVAOBDNALVGBY-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489756 712077485 /nfs/dbraw/zinc/07/74/85/712077485.db2.gz LTWCWDYPRRSRGM-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP COC1CC(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000703875458 712092053 /nfs/dbraw/zinc/09/20/53/712092053.db2.gz PDIOWLQCLUSYNN-HBIQZDMRSA-N 2 1 228.336 0.459 20 0 BCADMP COC1CC(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000703875458 712092054 /nfs/dbraw/zinc/09/20/54/712092054.db2.gz PDIOWLQCLUSYNN-HBIQZDMRSA-N 2 1 228.336 0.459 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060992 712180048 /nfs/dbraw/zinc/18/00/48/712180048.db2.gz AYZJHZQQONHPHK-WRWGMCAJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1CO[C@H](CO)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000709508082 712223562 /nfs/dbraw/zinc/22/35/62/712223562.db2.gz IDQKTECSQIKMRS-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996683 712238803 /nfs/dbraw/zinc/23/88/03/712238803.db2.gz OPAJTMLDZAFBRH-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP Cn1ncc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000710729063 712255625 /nfs/dbraw/zinc/25/56/25/712255625.db2.gz GSMCEJHADWUAJB-UHFFFAOYSA-N 2 1 225.340 0.766 20 0 BCADMP Cn1ncc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710729063 712255627 /nfs/dbraw/zinc/25/56/27/712255627.db2.gz GSMCEJHADWUAJB-UHFFFAOYSA-N 2 1 225.340 0.766 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000710986510 712271543 /nfs/dbraw/zinc/27/15/43/712271543.db2.gz DWIOMSVAGVPYDX-LBPRGKRZSA-N 2 1 240.347 0.989 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000922907364 712285274 /nfs/dbraw/zinc/28/52/74/712285274.db2.gz HPDIOLWQEWZAAX-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000922907364 712285277 /nfs/dbraw/zinc/28/52/77/712285277.db2.gz HPDIOLWQEWZAAX-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000922907364 712285278 /nfs/dbraw/zinc/28/52/78/712285278.db2.gz HPDIOLWQEWZAAX-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000390677392 712423860 /nfs/dbraw/zinc/42/38/60/712423860.db2.gz WBXGMJAQBFPESS-CYBMUJFWSA-N 2 1 224.348 0.974 20 0 BCADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000716416829 712559732 /nfs/dbraw/zinc/55/97/32/712559732.db2.gz XELQHRKAZUTREO-GFCCVEGCSA-N 2 1 242.363 0.723 20 0 BCADMP NC(=O)C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000379906484 712624057 /nfs/dbraw/zinc/62/40/57/712624057.db2.gz KKOUFUQPFRAAHR-WDEREUQCSA-N 2 1 239.363 0.844 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000037482564 712648348 /nfs/dbraw/zinc/64/83/48/712648348.db2.gz LOEKNIWUHCBHOT-UHFFFAOYSA-N 2 1 211.353 0.766 20 0 BCADMP CC(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380002480 712651633 /nfs/dbraw/zinc/65/16/33/712651633.db2.gz KKRFNNLBLJTPML-PHIMTYICSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000717640949 712662936 /nfs/dbraw/zinc/66/29/36/712662936.db2.gz JNSPOIMWWYJYRF-MNOVXSKESA-N 2 1 212.337 0.879 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000389681767 712689903 /nfs/dbraw/zinc/68/99/03/712689903.db2.gz XWTWXLGQEWEXNQ-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827031 712768925 /nfs/dbraw/zinc/76/89/25/712768925.db2.gz CYKVVUVCDODKNV-SECBINFHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000718554701 712769157 /nfs/dbraw/zinc/76/91/57/712769157.db2.gz VENZTVFGJYVWNG-PMUOWJKOSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720898771 712874928 /nfs/dbraw/zinc/87/49/28/712874928.db2.gz LDQCHINXUBFPQF-YFKTTZPYSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]CCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720899768 712874937 /nfs/dbraw/zinc/87/49/37/712874937.db2.gz MVQMXFBRXHAOHS-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720898679 712875380 /nfs/dbraw/zinc/87/53/80/712875380.db2.gz KQCQDSXKIWEKQG-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720896706 712876594 /nfs/dbraw/zinc/87/65/94/712876594.db2.gz DHSIGCVARHPOKH-GRYCIOLGSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720895503 712876598 /nfs/dbraw/zinc/87/65/98/712876598.db2.gz XWGJZHOOZNRBSB-OPRDCNLKSA-N 2 1 211.309 0.029 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401361 712900407 /nfs/dbraw/zinc/90/04/07/712900407.db2.gz PQWYEECXNMPGLX-JFGNBEQYSA-N 2 1 210.321 0.393 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401361 712900408 /nfs/dbraw/zinc/90/04/08/712900408.db2.gz PQWYEECXNMPGLX-JFGNBEQYSA-N 2 1 210.321 0.393 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401361 712900409 /nfs/dbraw/zinc/90/04/09/712900409.db2.gz PQWYEECXNMPGLX-JFGNBEQYSA-N 2 1 210.321 0.393 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401361 712900410 /nfs/dbraw/zinc/90/04/10/712900410.db2.gz PQWYEECXNMPGLX-JFGNBEQYSA-N 2 1 210.321 0.393 20 0 BCADMP CC[N@H+](CCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000380456063 712901140 /nfs/dbraw/zinc/90/11/40/712901140.db2.gz JGMKFYIPTJEZLE-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000380456063 712901141 /nfs/dbraw/zinc/90/11/41/712901141.db2.gz JGMKFYIPTJEZLE-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP COCCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380454186 712901161 /nfs/dbraw/zinc/90/11/61/712901161.db2.gz BZFOVMKINIGKBX-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380454186 712901162 /nfs/dbraw/zinc/90/11/62/712901162.db2.gz BZFOVMKINIGKBX-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028043 710717373 /nfs/dbraw/zinc/71/73/73/710717373.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028043 710717377 /nfs/dbraw/zinc/71/73/77/710717377.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028043 710717380 /nfs/dbraw/zinc/71/73/80/710717380.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000381823827 710723398 /nfs/dbraw/zinc/72/33/98/710723398.db2.gz KXIRYSGIJDPNSZ-GHMZBOCLSA-N 2 1 216.325 0.332 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723599121 710728751 /nfs/dbraw/zinc/72/87/51/710728751.db2.gz IIBNMKMIBSEGOU-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)O[C@H]1CCOC1 ZINC000724922233 710748666 /nfs/dbraw/zinc/74/86/66/710748666.db2.gz PMRQGZSFEWBJLJ-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)O[C@H]1CCOC1 ZINC000724922233 710748669 /nfs/dbraw/zinc/74/86/69/710748669.db2.gz PMRQGZSFEWBJLJ-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724921487 710749381 /nfs/dbraw/zinc/74/93/81/710749381.db2.gz LTGPIVLIDNFEOC-OLZOCXBDSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000724995987 710753474 /nfs/dbraw/zinc/75/34/74/710753474.db2.gz XSZCSKLWKMOMGU-FRRDWIJNSA-N 2 1 242.363 0.709 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000385010352 711002894 /nfs/dbraw/zinc/00/28/94/711002894.db2.gz XRUUXXHKVMFZTE-QWRGUYRKSA-N 2 1 230.352 0.565 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092513 710968220 /nfs/dbraw/zinc/96/82/20/710968220.db2.gz SRKDFMAGSNMQQL-VHSXEESVSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000386599278 711033969 /nfs/dbraw/zinc/03/39/69/711033969.db2.gz UGBAGDHZOWQHCN-NSHDSACASA-N 2 1 224.352 0.752 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]CC)C1 ZINC000389170774 711072488 /nfs/dbraw/zinc/07/24/88/711072488.db2.gz NUSLUNWQUXDELM-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000389338653 711077264 /nfs/dbraw/zinc/07/72/64/711077264.db2.gz PLOXQKBMFZYHIL-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP Cc1nc(CC[NH2+]CC2CC[NH+](C)CC2)n[nH]1 ZINC000392378662 711144088 /nfs/dbraw/zinc/14/40/88/711144088.db2.gz QGPQMUWEYGBBKW-UHFFFAOYSA-N 2 1 237.351 0.587 20 0 BCADMP Cc1nnc(CC[NH2+]CC2CC[NH+](C)CC2)[nH]1 ZINC000392378662 711144090 /nfs/dbraw/zinc/14/40/90/711144090.db2.gz QGPQMUWEYGBBKW-UHFFFAOYSA-N 2 1 237.351 0.587 20 0 BCADMP [NH3+]CCCCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392805929 711151336 /nfs/dbraw/zinc/15/13/36/711151336.db2.gz CCBJUYJZCOFFPG-UHFFFAOYSA-N 2 1 239.363 0.884 20 0 BCADMP Cc1cc(NCC[N@@H+]2CC=CCC2)nc(N)[nH+]1 ZINC000392880402 711153631 /nfs/dbraw/zinc/15/36/31/711153631.db2.gz NVBWMFOKIQDWLN-UHFFFAOYSA-N 2 1 233.319 0.293 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)OC ZINC000392978483 711154632 /nfs/dbraw/zinc/15/46/32/711154632.db2.gz YPHOOYODKMANFZ-RJRAAQABSA-N 2 1 240.347 0.234 20 0 BCADMP C[N@H+](CCn1cncn1)C1(C[NH3+])CCCCC1 ZINC000393835783 711177428 /nfs/dbraw/zinc/17/74/28/711177428.db2.gz OEARGZYIMOIYLZ-UHFFFAOYSA-N 2 1 237.351 0.872 20 0 BCADMP C[N@@H+](CCn1cncn1)C1(C[NH3+])CCCCC1 ZINC000393835783 711177430 /nfs/dbraw/zinc/17/74/30/711177430.db2.gz OEARGZYIMOIYLZ-UHFFFAOYSA-N 2 1 237.351 0.872 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000393823715 711177493 /nfs/dbraw/zinc/17/74/93/711177493.db2.gz BFZOQZVGVWSSAS-AGIUHOORSA-N 2 1 243.395 0.323 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000396612471 711360704 /nfs/dbraw/zinc/36/07/04/711360704.db2.gz FDSFUACJDMPJAN-DTWKUNHWSA-N 2 1 213.325 0.228 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000394953739 711199946 /nfs/dbraw/zinc/19/99/46/711199946.db2.gz OOHUSFPHENIBFQ-MWLCHTKSSA-N 2 1 225.336 0.337 20 0 BCADMP CS[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000395031468 711201064 /nfs/dbraw/zinc/20/10/64/711201064.db2.gz UXRAMRNZEIVSSG-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP CS[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000395031468 711201068 /nfs/dbraw/zinc/20/10/68/711201068.db2.gz UXRAMRNZEIVSSG-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP CC[C@@H]1C[N@H+](C(COC)COC)CC[C@H]1[NH3+] ZINC000395339120 711208478 /nfs/dbraw/zinc/20/84/78/711208478.db2.gz ARNBANXJCXOXEO-ZYHUDNBSSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)O ZINC000396582853 711353028 /nfs/dbraw/zinc/35/30/28/711353028.db2.gz PXXWJIZICXOCQT-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396543556 711354047 /nfs/dbraw/zinc/35/40/47/711354047.db2.gz BJVKNPYJUDKIHP-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396591174 711356362 /nfs/dbraw/zinc/35/63/62/711356362.db2.gz TXPHRIYSGLOJFF-UKKRHICBSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587812 711356705 /nfs/dbraw/zinc/35/67/05/711356705.db2.gz AYOOATVLPUPGEK-RYUDHWBXSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000396582852 711357882 /nfs/dbraw/zinc/35/78/82/711357882.db2.gz PXXWJIZICXOCQT-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H](C)C1 ZINC000399284003 711425412 /nfs/dbraw/zinc/42/54/12/711425412.db2.gz VEVHMPKUFPNHPS-UTUOFQBUSA-N 2 1 212.337 0.810 20 0 BCADMP C[C@@H]1COCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399332187 711427661 /nfs/dbraw/zinc/42/76/61/711427661.db2.gz VNZVYPBNZHOISE-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000721910052 710691640 /nfs/dbraw/zinc/69/16/40/710691640.db2.gz CWHHPOWXEWPCDF-RYUDHWBXSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000721910052 710691644 /nfs/dbraw/zinc/69/16/44/710691644.db2.gz CWHHPOWXEWPCDF-RYUDHWBXSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721963046 710694638 /nfs/dbraw/zinc/69/46/38/710694638.db2.gz RGWOZDNKRCTXTQ-FRRDWIJNSA-N 2 1 244.379 0.953 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721963046 710694639 /nfs/dbraw/zinc/69/46/39/710694639.db2.gz RGWOZDNKRCTXTQ-FRRDWIJNSA-N 2 1 244.379 0.953 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000384974215 711001504 /nfs/dbraw/zinc/00/15/04/711001504.db2.gz PTRBVVMQPALEEA-AAEUAGOBSA-N 2 1 242.363 0.709 20 0 BCADMP COCC(COC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000384965219 711001611 /nfs/dbraw/zinc/00/16/11/711001611.db2.gz OFGAMUIKFRXDCC-UHFFFAOYSA-N 2 1 242.363 0.723 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000385008636 711003027 /nfs/dbraw/zinc/00/30/27/711003027.db2.gz XGSRWIZJBSYNFU-CYZMBNFOSA-N 2 1 242.363 0.707 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2C)C1 ZINC000386572152 711032412 /nfs/dbraw/zinc/03/24/12/711032412.db2.gz LZOYHUKTWHREFD-NSHDSACASA-N 2 1 224.352 0.609 20 0 BCADMP C[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392697563 711149677 /nfs/dbraw/zinc/14/96/77/711149677.db2.gz SBXDBXSJRFUVOM-UHFFFAOYSA-N 2 1 221.304 0.971 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396626857 711362177 /nfs/dbraw/zinc/36/21/77/711362177.db2.gz WKRSIRJFYUDHBT-ZJUUUORDSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000396645277 711362508 /nfs/dbraw/zinc/36/25/08/711362508.db2.gz BYKUTBHWONTIDL-GHMZBOCLSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000396730485 711367044 /nfs/dbraw/zinc/36/70/44/711367044.db2.gz YFYOZBRGOVINIT-MNOVXSKESA-N 2 1 208.309 0.613 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396701132 711367535 /nfs/dbraw/zinc/36/75/35/711367535.db2.gz HFANFNNEHUYMHH-GUBZILKMSA-N 2 1 213.325 0.241 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397303486 711381163 /nfs/dbraw/zinc/38/11/63/711381163.db2.gz LNPRTAJHDVKVOR-QNWHQSFQSA-N 2 1 244.379 0.689 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723684399 711533726 /nfs/dbraw/zinc/53/37/26/711533726.db2.gz XFGHEZOXBXINFQ-RKDXNWHRSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H]1CC[NH3+] ZINC000723882354 711543269 /nfs/dbraw/zinc/54/32/69/711543269.db2.gz HCLKZCNVOCGWLJ-ZYHUDNBSSA-N 2 1 222.336 0.869 20 0 BCADMP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894862 711544091 /nfs/dbraw/zinc/54/40/91/711544091.db2.gz PVZIJJBUHFBUKF-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890859 711544150 /nfs/dbraw/zinc/54/41/50/711544150.db2.gz IVDPABFGMOQPLE-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP CCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910557 711544670 /nfs/dbraw/zinc/54/46/70/711544670.db2.gz VKFFKNCKRRDAOL-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900126 711545137 /nfs/dbraw/zinc/54/51/37/711545137.db2.gz ITIRFBSUYRFXQF-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133081563 711558960 /nfs/dbraw/zinc/55/89/60/711558960.db2.gz DKQZCWUTVYWOEY-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP CC[N@H+](CCNC1=[NH+]CCCN1C)C1CC1 ZINC000386559602 711584594 /nfs/dbraw/zinc/58/45/94/711584594.db2.gz ITONJWJTCPCZJP-UHFFFAOYSA-N 2 1 224.352 0.752 20 0 BCADMP CC[N@@H+](CCNC1=[NH+]CCCN1C)C1CC1 ZINC000386559602 711584597 /nfs/dbraw/zinc/58/45/97/711584597.db2.gz ITONJWJTCPCZJP-UHFFFAOYSA-N 2 1 224.352 0.752 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562483 711592545 /nfs/dbraw/zinc/59/25/45/711592545.db2.gz GYAKILAVYQDLAT-ZDEQEGDKSA-N 2 1 240.347 0.461 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564247 711592754 /nfs/dbraw/zinc/59/27/54/711592754.db2.gz RRGRMOXLNBTELK-SRVKXCTJSA-N 2 1 242.363 0.707 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724585449 711595877 /nfs/dbraw/zinc/59/58/77/711595877.db2.gz KJEQIRATSKHCLF-OFTGVCEQSA-N 2 1 240.347 0.520 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000382289330 711621369 /nfs/dbraw/zinc/62/13/69/711621369.db2.gz QKVWBBWOKKUGIA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000724887086 711625466 /nfs/dbraw/zinc/62/54/66/711625466.db2.gz NXRFNZYOJFLZPD-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724913232 711626998 /nfs/dbraw/zinc/62/69/98/711626998.db2.gz FSQYLNUVWCGZQU-LLVKDONJSA-N 2 1 216.325 0.333 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724913232 711627001 /nfs/dbraw/zinc/62/70/01/711627001.db2.gz FSQYLNUVWCGZQU-LLVKDONJSA-N 2 1 216.325 0.333 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724915826 711627627 /nfs/dbraw/zinc/62/76/27/711627627.db2.gz RQDGQKOQJFOJLH-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000724916770 711627787 /nfs/dbraw/zinc/62/77/87/711627787.db2.gz WETGSTQTJCKQJY-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724960673 711638057 /nfs/dbraw/zinc/63/80/57/711638057.db2.gz XQWLUVAWTSQBMI-CPCZMJQVSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000396591679 711702401 /nfs/dbraw/zinc/70/24/01/711702401.db2.gz CLWLVGDAGZTNQU-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925571784 711703112 /nfs/dbraw/zinc/70/31/12/711703112.db2.gz JAZHMCAJWSRIJF-NWDGAFQWSA-N 2 1 242.363 0.912 20 0 BCADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)C(N)=O ZINC000925604536 711704982 /nfs/dbraw/zinc/70/49/82/711704982.db2.gz LEEWPGSLEZUIKX-QMMMGPOBSA-N 2 1 213.325 0.228 20 0 BCADMP Cn1cnc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925689110 711709311 /nfs/dbraw/zinc/70/93/11/711709311.db2.gz AXZWICJMFSYMGV-LBPRGKRZSA-N 2 1 234.347 0.837 20 0 BCADMP C[C@H]1CN(C)C(=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000257785436 711728366 /nfs/dbraw/zinc/72/83/66/711728366.db2.gz LOKSTTPWNGKTIU-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000094074605 711739127 /nfs/dbraw/zinc/73/91/27/711739127.db2.gz CXKLEMZWNAWGKH-LLVKDONJSA-N 2 1 241.335 0.559 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945015 711744497 /nfs/dbraw/zinc/74/44/97/711744497.db2.gz WAAMRCVWVFTJON-UTUOFQBUSA-N 2 1 228.336 0.319 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000925788106 711751996 /nfs/dbraw/zinc/75/19/96/711751996.db2.gz YFCQXZDNDOMXAG-MROQNXINSA-N 2 1 225.380 0.949 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879378 711761930 /nfs/dbraw/zinc/76/19/30/711761930.db2.gz CQAVRTJMNJBDLN-VWYCJHECSA-N 2 1 211.353 0.844 20 0 BCADMP Cc1ccccc1OCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000310348204 711763200 /nfs/dbraw/zinc/76/32/00/711763200.db2.gz PWVAWSDSYFWJDE-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP Cc1ccccc1OCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000310348204 711763201 /nfs/dbraw/zinc/76/32/01/711763201.db2.gz PWVAWSDSYFWJDE-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928565792 711779157 /nfs/dbraw/zinc/77/91/57/711779157.db2.gz MPBRLNSVSGTXPM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928565792 711779159 /nfs/dbraw/zinc/77/91/59/711779159.db2.gz MPBRLNSVSGTXPM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928565792 711779160 /nfs/dbraw/zinc/77/91/60/711779160.db2.gz MPBRLNSVSGTXPM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928565792 711779161 /nfs/dbraw/zinc/77/91/61/711779161.db2.gz MPBRLNSVSGTXPM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054836 711805506 /nfs/dbraw/zinc/80/55/06/711805506.db2.gz FHMYKAIZFRQQOK-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[C@H](O)CC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000219856480 711861917 /nfs/dbraw/zinc/86/19/17/711861917.db2.gz GFXJCUILBWDQHW-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000069724259 711893585 /nfs/dbraw/zinc/89/35/85/711893585.db2.gz XWESNKIIEFVGEG-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP COC[C@H](C[N@@H+](C)CCOCC[NH3+])C(C)C ZINC000721922191 711937267 /nfs/dbraw/zinc/93/72/67/711937267.db2.gz VMPYYDIJFLRIRK-LBPRGKRZSA-N 2 1 232.368 0.812 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721928200 711937877 /nfs/dbraw/zinc/93/78/77/711937877.db2.gz PDIOWLQCLUSYNN-NNYUYHANSA-N 2 1 228.336 0.459 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721928200 711937879 /nfs/dbraw/zinc/93/78/79/711937879.db2.gz PDIOWLQCLUSYNN-NNYUYHANSA-N 2 1 228.336 0.459 20 0 BCADMP [NH3+]C1CC[NH+](CCNc2ncccn2)CC1 ZINC000321239562 711976721 /nfs/dbraw/zinc/97/67/21/711976721.db2.gz WYTUMSBUMKEZMN-UHFFFAOYSA-N 2 1 221.308 0.312 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000700382850 711991339 /nfs/dbraw/zinc/99/13/39/711991339.db2.gz GWBCQCRRSDKAOV-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000700382850 711991341 /nfs/dbraw/zinc/99/13/41/711991341.db2.gz GWBCQCRRSDKAOV-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000700382847 711991500 /nfs/dbraw/zinc/99/15/00/711991500.db2.gz GWBCQCRRSDKAOV-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000700382847 711991502 /nfs/dbraw/zinc/99/15/02/711991502.db2.gz GWBCQCRRSDKAOV-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000700894917 712010067 /nfs/dbraw/zinc/01/00/67/712010067.db2.gz UIYXQKLIKMVUII-VXGBXAGGSA-N 2 1 242.363 0.506 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000702345590 712045572 /nfs/dbraw/zinc/04/55/72/712045572.db2.gz BTQJQTBAAQZTSR-AGIUHOORSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000702345590 712045574 /nfs/dbraw/zinc/04/55/74/712045574.db2.gz BTQJQTBAAQZTSR-AGIUHOORSA-N 2 1 224.348 0.641 20 0 BCADMP Cc1cc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nc(N)[nH+]1 ZINC000702411617 712051439 /nfs/dbraw/zinc/05/14/39/712051439.db2.gz ITDHGEUUDPWSRB-MFKMUULPSA-N 2 1 247.346 0.755 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473975 712054238 /nfs/dbraw/zinc/05/42/38/712054238.db2.gz MXZAJDIIHZNMPG-UPJWGTAASA-N 2 1 242.363 0.315 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473975 712054239 /nfs/dbraw/zinc/05/42/39/712054239.db2.gz MXZAJDIIHZNMPG-UPJWGTAASA-N 2 1 242.363 0.315 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000703449122 712076192 /nfs/dbraw/zinc/07/61/92/712076192.db2.gz ZFVOTBPNNCQCOM-WYUUTHIRSA-N 2 1 210.321 0.835 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000703523952 712078087 /nfs/dbraw/zinc/07/80/87/712078087.db2.gz BRSRPGRSVJAABE-PHIMTYICSA-N 2 1 227.352 0.701 20 0 BCADMP Cn1cncc1CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548708 712078869 /nfs/dbraw/zinc/07/88/69/712078869.db2.gz CQHQKHJBMAGDKC-GXTWGEPZSA-N 2 1 248.374 0.894 20 0 BCADMP COC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595961 712080345 /nfs/dbraw/zinc/08/03/45/712080345.db2.gz MGQGEYKODHFHJT-GXSJLCMTSA-N 2 1 212.293 0.091 20 0 BCADMP COC(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595961 712080348 /nfs/dbraw/zinc/08/03/48/712080348.db2.gz MGQGEYKODHFHJT-GXSJLCMTSA-N 2 1 212.293 0.091 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000706708856 712152622 /nfs/dbraw/zinc/15/26/22/712152622.db2.gz YYNCBTGKWAPISA-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC000706979868 712160278 /nfs/dbraw/zinc/16/02/78/712160278.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 2 1 237.391 0.870 20 0 BCADMP CC[C@@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707891354 712173546 /nfs/dbraw/zinc/17/35/46/712173546.db2.gz CUBIMLVGOAXZBL-WDEREUQCSA-N 2 1 200.326 0.831 20 0 BCADMP C[N@H+](CCn1cccn1)C1(C[NH3+])CCOCC1 ZINC000707646161 712176317 /nfs/dbraw/zinc/17/63/17/712176317.db2.gz JKGQLFOSGZIQNG-UHFFFAOYSA-N 2 1 238.335 0.323 20 0 BCADMP C[N@@H+](CCn1cccn1)C1(C[NH3+])CCOCC1 ZINC000707646161 712176319 /nfs/dbraw/zinc/17/63/19/712176319.db2.gz JKGQLFOSGZIQNG-UHFFFAOYSA-N 2 1 238.335 0.323 20 0 BCADMP COCC(COC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708082370 712181167 /nfs/dbraw/zinc/18/11/67/712181167.db2.gz SQIZZTONWGZRLA-NXEZZACHSA-N 2 1 216.325 0.174 20 0 BCADMP CC1(C)CO[C@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000708338013 712189437 /nfs/dbraw/zinc/18/94/37/712189437.db2.gz QPODSSTYFZIEIV-NWDGAFQWSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708367938 712191289 /nfs/dbraw/zinc/19/12/89/712191289.db2.gz NIJUYULIKPTPFL-LBPRGKRZSA-N 2 1 244.379 0.969 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709779618 712217745 /nfs/dbraw/zinc/21/77/45/712217745.db2.gz VRZLXKMAEPKVPH-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000709965205 712235412 /nfs/dbraw/zinc/23/54/12/712235412.db2.gz ASFBOPUGHJRLED-VIFPVBQESA-N 2 1 211.334 0.966 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996679 712238834 /nfs/dbraw/zinc/23/88/34/712238834.db2.gz OPAJTMLDZAFBRH-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711311154 712293666 /nfs/dbraw/zinc/29/36/66/712293666.db2.gz QPNNGBYEGPZELP-MNOVXSKESA-N 2 1 239.363 0.300 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711466094 712302368 /nfs/dbraw/zinc/30/23/68/712302368.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 1 248.342 0.217 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378732609 712359764 /nfs/dbraw/zinc/35/97/64/712359764.db2.gz XRAMUPBWCGLYRM-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP COCCC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000379524389 712387086 /nfs/dbraw/zinc/38/70/86/712387086.db2.gz FLWJLPGUOLJXCN-MRVPVSSYSA-N 2 1 210.268 0.937 20 0 BCADMP COCCC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000379524389 712387087 /nfs/dbraw/zinc/38/70/87/712387087.db2.gz FLWJLPGUOLJXCN-MRVPVSSYSA-N 2 1 210.268 0.937 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395349 /nfs/dbraw/zinc/39/53/49/712395349.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395350 /nfs/dbraw/zinc/39/53/50/712395350.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395352 /nfs/dbraw/zinc/39/53/52/712395352.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395355 /nfs/dbraw/zinc/39/53/55/712395355.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 2 1 242.363 0.002 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712615586 712438608 /nfs/dbraw/zinc/43/86/08/712438608.db2.gz OMEDLOHAMJEJRS-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CCN(C(=O)C(C)(C)[NH3+])CCC1(C)C ZINC000712669004 712439976 /nfs/dbraw/zinc/43/99/76/712439976.db2.gz NYLRSDFLMPDCLD-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712675408 712440198 /nfs/dbraw/zinc/44/01/98/712440198.db2.gz YRUSBXGKCUANAU-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713159906 712453349 /nfs/dbraw/zinc/45/33/49/712453349.db2.gz UAWQCHKYSZRBFD-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713159906 712453351 /nfs/dbraw/zinc/45/33/51/712453351.db2.gz UAWQCHKYSZRBFD-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713225305 712455582 /nfs/dbraw/zinc/45/55/82/712455582.db2.gz KOESDSZYIAAFSK-MDZLAQPJSA-N 2 1 237.347 0.278 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000036870208 712505819 /nfs/dbraw/zinc/50/58/19/712505819.db2.gz WAODUGHZFNEOCO-LLVKDONJSA-N 2 1 248.392 0.624 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000715130163 712506627 /nfs/dbraw/zinc/50/66/27/712506627.db2.gz VTZZQTPPDHUIHJ-LBPRGKRZSA-N 2 1 240.347 0.989 20 0 BCADMP CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)OCCO1 ZINC000716828128 712577180 /nfs/dbraw/zinc/57/71/80/712577180.db2.gz JIAPIPPIPIYYRY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)OCCO1 ZINC000716828128 712577181 /nfs/dbraw/zinc/57/71/81/712577181.db2.gz JIAPIPPIPIYYRY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000037475933 712647753 /nfs/dbraw/zinc/64/77/53/712647753.db2.gz LSAZYPIATNNIAL-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000717983362 712735469 /nfs/dbraw/zinc/73/54/69/712735469.db2.gz CHVAUCCEXAXWJV-NNYUYHANSA-N 2 1 210.321 0.692 20 0 BCADMP C[C@@H]([NH2+]C1CC(CC(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000718554695 712769143 /nfs/dbraw/zinc/76/91/43/712769143.db2.gz VENZTVFGJYVWNG-AGVGLQIMSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000719610845 712816799 /nfs/dbraw/zinc/81/67/99/712816799.db2.gz CMTBAYFUEKZNHA-CMPLNLGQSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])CCO1 ZINC000719771401 712823988 /nfs/dbraw/zinc/82/39/88/712823988.db2.gz VVEYWZDNFGUYNL-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416468 712841133 /nfs/dbraw/zinc/84/11/33/712841133.db2.gz PZYJQSNTCWNGDE-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720802394 712866513 /nfs/dbraw/zinc/86/65/13/712866513.db2.gz BONZIZPJTZBPRC-XHNCKOQMSA-N 2 1 240.269 0.826 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000720890279 712874135 /nfs/dbraw/zinc/87/41/35/712874135.db2.gz LJAIVJCLPOCLAT-FRRDWIJNSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000720890279 712874136 /nfs/dbraw/zinc/87/41/36/712874136.db2.gz LJAIVJCLPOCLAT-FRRDWIJNSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000720890279 712874137 /nfs/dbraw/zinc/87/41/37/712874137.db2.gz LJAIVJCLPOCLAT-FRRDWIJNSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCOCC[NH3+] ZINC000720890351 712875016 /nfs/dbraw/zinc/87/50/16/712875016.db2.gz LRGLTITZKCHIPW-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCOCC[NH3+] ZINC000720890351 712875018 /nfs/dbraw/zinc/87/50/18/712875018.db2.gz LRGLTITZKCHIPW-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCOCC[NH3+] ZINC000720890351 712875021 /nfs/dbraw/zinc/87/50/21/712875021.db2.gz LRGLTITZKCHIPW-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000720893619 712875821 /nfs/dbraw/zinc/87/58/21/712875821.db2.gz OJWXEDZOSYKUIN-FDYHWXHSSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901474 712875837 /nfs/dbraw/zinc/87/58/37/712875837.db2.gz SALRTASNGGPNAT-WHOHXGKFSA-N 2 1 237.347 0.419 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720894651 712876043 /nfs/dbraw/zinc/87/60/43/712876043.db2.gz WGWKBLQNRYCSSF-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896449 712876903 /nfs/dbraw/zinc/87/69/03/712876903.db2.gz DGHKLVVFSITYJB-NXEZZACHSA-N 2 1 225.336 0.419 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040066 712887928 /nfs/dbraw/zinc/88/79/28/712887928.db2.gz OFQBPGZFRCIKKI-VWYCJHECSA-N 2 1 225.336 0.052 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040066 712887930 /nfs/dbraw/zinc/88/79/30/712887930.db2.gz OFQBPGZFRCIKKI-VWYCJHECSA-N 2 1 225.336 0.052 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063671 712889431 /nfs/dbraw/zinc/88/94/31/712889431.db2.gz OFQBPGZFRCIKKI-OUAUKWLOSA-N 2 1 225.336 0.052 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063671 712889433 /nfs/dbraw/zinc/88/94/33/712889433.db2.gz OFQBPGZFRCIKKI-OUAUKWLOSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000721074598 712889871 /nfs/dbraw/zinc/88/98/71/712889871.db2.gz PVVYSHIYAWGLCF-WYUUTHIRSA-N 2 1 239.363 0.428 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721076228 712890001 /nfs/dbraw/zinc/89/00/01/712890001.db2.gz WQOXFIHXOCRZNV-WOPDTQHZSA-N 2 1 239.363 0.300 20 0 BCADMP COc1cc[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164391831 718829328 /nfs/dbraw/zinc/82/93/28/718829328.db2.gz LQMMPHJYIJUQCA-NSHDSACASA-N 2 1 248.330 0.184 20 0 BCADMP COc1cc[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164391566 718829334 /nfs/dbraw/zinc/82/93/34/718829334.db2.gz LQMMPHJYIJUQCA-LLVKDONJSA-N 2 1 248.330 0.184 20 0 BCADMP C[N@H+]1CCO[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001164670438 719369631 /nfs/dbraw/zinc/36/96/31/719369631.db2.gz UUTOJRJBDUTJJM-WDEREUQCSA-N 2 1 234.303 0.183 20 0 BCADMP C[N@H+]1CCO[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001164669121 719381636 /nfs/dbraw/zinc/38/16/36/719381636.db2.gz PYKZUBNJKOSOHG-ZJUUUORDSA-N 2 1 234.303 0.183 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000087837413 721895187 /nfs/dbraw/zinc/89/51/87/721895187.db2.gz SFWSTNSEFNPKTE-SECBINFHSA-N 2 1 221.308 0.589 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318433 398142544 /nfs/dbraw/zinc/14/25/44/398142544.db2.gz KJRHUPXWSGAVJB-WYUUTHIRSA-N 2 1 239.363 0.298 20 0 BCADMP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)C1CC1 ZINC000649319495 398142720 /nfs/dbraw/zinc/14/27/20/398142720.db2.gz BRBOYJMQWVULKA-YJQGPUDQSA-N 2 1 237.347 0.051 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318432 398142843 /nfs/dbraw/zinc/14/28/43/398142843.db2.gz KJRHUPXWSGAVJB-NNYUYHANSA-N 2 1 239.363 0.298 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000228765330 168322250 /nfs/dbraw/zinc/32/22/50/168322250.db2.gz MFDHLWFVXMXZFT-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC(=O)N1 ZINC000257801196 349487321 /nfs/dbraw/zinc/48/73/21/349487321.db2.gz YWIVHBLHPCVXLD-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC(=O)N1 ZINC000257801197 349487351 /nfs/dbraw/zinc/48/73/51/349487351.db2.gz YWIVHBLHPCVXLD-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000257754614 349483495 /nfs/dbraw/zinc/48/34/95/349483495.db2.gz ZONBYVUMSSRKNI-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000257754612 349483539 /nfs/dbraw/zinc/48/35/39/349483539.db2.gz ZONBYVUMSSRKNI-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342021 398158869 /nfs/dbraw/zinc/15/88/69/398158869.db2.gz HUECNIDAEDKLQZ-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342084 398159036 /nfs/dbraw/zinc/15/90/36/398159036.db2.gz LFIUWJKKMXVDSM-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000335035991 136214799 /nfs/dbraw/zinc/21/47/99/136214799.db2.gz GNJTUMVDNWXLBN-GHMZBOCLSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@H](CCO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000649871064 398152988 /nfs/dbraw/zinc/15/29/88/398152988.db2.gz QREAJJGYSBSKTJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000649871064 398152992 /nfs/dbraw/zinc/15/29/92/398152992.db2.gz QREAJJGYSBSKTJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000649871064 398152997 /nfs/dbraw/zinc/15/29/97/398152997.db2.gz QREAJJGYSBSKTJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000649871064 398153001 /nfs/dbraw/zinc/15/30/01/398153001.db2.gz QREAJJGYSBSKTJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000422941653 398159486 /nfs/dbraw/zinc/15/94/86/398159486.db2.gz VGONUYSHYKTRDK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H](CCO)[NH+](C)CCC[N@H+](C)[C@@H](C)CCO ZINC000649869722 398155494 /nfs/dbraw/zinc/15/54/94/398155494.db2.gz KPJJNHIHRDZFLC-STQMWFEESA-N 2 1 246.395 0.782 20 0 BCADMP CC[C@@H]([NH2+]CCOCCOC)[C@@H]1CCC[NH2+]1 ZINC000422905999 398156989 /nfs/dbraw/zinc/15/69/89/398156989.db2.gz TYCRHBXJLSQJBP-NEPJUHHUSA-N 2 1 230.352 0.770 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422906128 398157133 /nfs/dbraw/zinc/15/71/33/398157133.db2.gz JEQANALMMTVLKI-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422906128 398157135 /nfs/dbraw/zinc/15/71/35/398157135.db2.gz JEQANALMMTVLKI-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000649341579 398157904 /nfs/dbraw/zinc/15/79/04/398157904.db2.gz JCRKRQYFNAMQNL-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341575 398158015 /nfs/dbraw/zinc/15/80/15/398158015.db2.gz INNNRDHAYAPGRS-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000649341582 398158138 /nfs/dbraw/zinc/15/81/38/398158138.db2.gz JCRKRQYFNAMQNL-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348465 398162503 /nfs/dbraw/zinc/16/25/03/398162503.db2.gz LRDKJXYBIUMOGJ-AHRFKUBPSA-N 2 1 249.358 0.051 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000576230840 365531579 /nfs/dbraw/zinc/53/15/79/365531579.db2.gz PUYBNMRNVPZTRZ-IUCAKERBSA-N 2 1 249.305 0.427 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000336707027 398204622 /nfs/dbraw/zinc/20/46/22/398204622.db2.gz RPEMKVAPSLUAQZ-NSHDSACASA-N 2 1 214.309 0.610 20 0 BCADMP Cn1ccnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724212 398213785 /nfs/dbraw/zinc/21/37/85/398213785.db2.gz RWIRNANZVUCKCC-LLVKDONJSA-N 2 1 222.336 0.981 20 0 BCADMP Cn1nccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069723864 398214215 /nfs/dbraw/zinc/21/42/15/398214215.db2.gz DXXCKCUVRAENMP-NSHDSACASA-N 2 1 222.336 0.981 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C)C[NH3+] ZINC000576343470 365570673 /nfs/dbraw/zinc/57/06/73/365570673.db2.gz SIKVOPNZQKBDDN-SNVBAGLBSA-N 2 1 238.335 0.635 20 0 BCADMP Cc1noc(CCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346689 365572380 /nfs/dbraw/zinc/57/23/80/365572380.db2.gz VNBGPJQGKZHYHM-ONGXEEELSA-N 2 1 238.335 0.980 20 0 BCADMP Cn1cc(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000649420007 398218697 /nfs/dbraw/zinc/21/86/97/398218697.db2.gz URPNMTCIMDGBRK-NSHDSACASA-N 2 1 224.352 0.926 20 0 BCADMP c1ncn(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000649412984 398210630 /nfs/dbraw/zinc/21/06/30/398210630.db2.gz GUDPJMPIUSRIKY-STQMWFEESA-N 2 1 249.362 0.742 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH3+])C[C@H]1C ZINC000418367179 192028657 /nfs/dbraw/zinc/02/86/57/192028657.db2.gz ZDIQPMBKLLXWOG-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CO[C@@H](C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104525 488173951 /nfs/dbraw/zinc/17/39/51/488173951.db2.gz QLCTZODBGXTOOJ-ONGXEEELSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380104525 488173953 /nfs/dbraw/zinc/17/39/53/488173953.db2.gz QLCTZODBGXTOOJ-ONGXEEELSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104525 488173959 /nfs/dbraw/zinc/17/39/59/488173959.db2.gz QLCTZODBGXTOOJ-ONGXEEELSA-N 2 1 216.325 0.066 20 0 BCADMP COCCC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000189876204 398226561 /nfs/dbraw/zinc/22/65/61/398226561.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP COCCC[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000189876204 398226564 /nfs/dbraw/zinc/22/65/64/398226564.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP COCCC[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000189876204 398226566 /nfs/dbraw/zinc/22/65/66/398226566.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418384030 192031107 /nfs/dbraw/zinc/03/11/07/192031107.db2.gz NVCYWASOONWYIG-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563910 398228285 /nfs/dbraw/zinc/22/82/85/398228285.db2.gz XYRDOUNNWFLZOS-ONGXEEELSA-N 2 1 248.392 0.384 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430560824 398228358 /nfs/dbraw/zinc/22/83/58/398228358.db2.gz XNQGQUQGFXJZOB-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430560824 398228360 /nfs/dbraw/zinc/22/83/60/398228360.db2.gz XNQGQUQGFXJZOB-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP Cn1cc(CC[NH2+][C@@](C)(C[NH3+])C2CC2)cn1 ZINC000430568130 398228999 /nfs/dbraw/zinc/22/89/99/398228999.db2.gz FLHOULOHHKFCEW-LBPRGKRZSA-N 2 1 222.336 0.680 20 0 BCADMP C[C@@H](CNC(=O)CC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430764793 398231022 /nfs/dbraw/zinc/23/10/22/398231022.db2.gz TWULJYSJZVTCOI-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CN(C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334317555 136225351 /nfs/dbraw/zinc/22/53/51/136225351.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)C1CCC1 ZINC000629952644 361797359 /nfs/dbraw/zinc/79/73/59/361797359.db2.gz PZLNEEOZSDRHEG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000629952644 361797365 /nfs/dbraw/zinc/79/73/65/361797365.db2.gz PZLNEEOZSDRHEG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000629952644 361797375 /nfs/dbraw/zinc/79/73/75/361797375.db2.gz PZLNEEOZSDRHEG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000381218774 398236211 /nfs/dbraw/zinc/23/62/11/398236211.db2.gz GLGXJLWKFZJKBW-NWDGAFQWSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000381218774 398236215 /nfs/dbraw/zinc/23/62/15/398236215.db2.gz GLGXJLWKFZJKBW-NWDGAFQWSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629965302 361812531 /nfs/dbraw/zinc/81/25/31/361812531.db2.gz SFYMLOHLSGWSKF-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000379875681 398239475 /nfs/dbraw/zinc/23/94/75/398239475.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000379875681 398239480 /nfs/dbraw/zinc/23/94/80/398239480.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000379875681 398239483 /nfs/dbraw/zinc/23/94/83/398239483.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379875681 398239485 /nfs/dbraw/zinc/23/94/85/398239485.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000381253839 398244077 /nfs/dbraw/zinc/24/40/77/398244077.db2.gz PJSYVQFAKDPKIB-ZYHUDNBSSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000669528888 488176612 /nfs/dbraw/zinc/17/66/12/488176612.db2.gz PPVRYQHALLWSKT-ATZCPNFKSA-N 2 1 240.351 0.116 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381277995 398249784 /nfs/dbraw/zinc/24/97/84/398249784.db2.gz XKARINXHBGLUFQ-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000323018461 259309418 /nfs/dbraw/zinc/30/94/18/259309418.db2.gz IWHUPDQEDUYTPX-HBNTYKKESA-N 2 1 227.352 0.631 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000381363318 398252971 /nfs/dbraw/zinc/25/29/71/398252971.db2.gz FPDCGAUSPOZWIN-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000381363318 398252975 /nfs/dbraw/zinc/25/29/75/398252975.db2.gz FPDCGAUSPOZWIN-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000576756042 365678321 /nfs/dbraw/zinc/67/83/21/365678321.db2.gz AUHHCKCWYSGCET-CMPLNLGQSA-N 3 1 211.353 0.703 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000576712579 365667159 /nfs/dbraw/zinc/66/71/59/365667159.db2.gz NFUBKIPORVTRJJ-UHFFFAOYSA-N 2 1 237.294 0.604 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000381363324 398254549 /nfs/dbraw/zinc/25/45/49/398254549.db2.gz FPDCGAUSPOZWIN-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000381363324 398254551 /nfs/dbraw/zinc/25/45/51/398254551.db2.gz FPDCGAUSPOZWIN-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000381363316 398254769 /nfs/dbraw/zinc/25/47/69/398254769.db2.gz FPDCGAUSPOZWIN-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000381363316 398254772 /nfs/dbraw/zinc/25/47/72/398254772.db2.gz FPDCGAUSPOZWIN-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000381540735 398262461 /nfs/dbraw/zinc/26/24/61/398262461.db2.gz IMBFUBXWYWVDLG-RYUDHWBXSA-N 3 1 213.369 0.901 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000381540735 398262462 /nfs/dbraw/zinc/26/24/62/398262462.db2.gz IMBFUBXWYWVDLG-RYUDHWBXSA-N 3 1 213.369 0.901 20 0 BCADMP CC(C)(C)C[N@@H+](CCO)CCOCC[NH3+] ZINC000381535769 398262697 /nfs/dbraw/zinc/26/26/97/398262697.db2.gz GOZJFMCMAIILDI-UHFFFAOYSA-N 2 1 218.341 0.302 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418484665 192040381 /nfs/dbraw/zinc/04/03/81/192040381.db2.gz GSJKHKZUWHZQPN-MXWKQRLJSA-N 2 1 242.367 0.315 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000381761875 346837890 /nfs/dbraw/zinc/83/78/90/346837890.db2.gz UDPFFTHONZYBJF-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP CCC[C@@]1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCOC1 ZINC000378841472 346842835 /nfs/dbraw/zinc/84/28/35/346842835.db2.gz PJALDXIGLNJGDW-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925562 398274510 /nfs/dbraw/zinc/27/45/10/398274510.db2.gz LPKCEHZERVMQOS-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1CO[C@H](CO)CN1CC[C@@H]1CCC[N@H+]1C ZINC000162279006 349612233 /nfs/dbraw/zinc/61/22/33/349612233.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 1 242.363 0.552 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131904410 342697918 /nfs/dbraw/zinc/69/79/18/342697918.db2.gz YVVKFKHTXLOPTN-IVZWLZJFSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000165436680 361840524 /nfs/dbraw/zinc/84/05/24/361840524.db2.gz KEDFNDNBRSLJEN-BDAKNGLRSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000082651672 398277189 /nfs/dbraw/zinc/27/71/89/398277189.db2.gz XRGJNIPRTRWWDF-NWDGAFQWSA-N 2 1 222.336 0.942 20 0 BCADMP CC(C)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629983156 361869329 /nfs/dbraw/zinc/86/93/29/361869329.db2.gz PLALENFGUMJLCH-UHFFFAOYSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000630007947 361892711 /nfs/dbraw/zinc/89/27/11/361892711.db2.gz RIGMDEJNSYPRBM-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000630000598 361886289 /nfs/dbraw/zinc/88/62/89/361886289.db2.gz MOCNSTYFWIOZFK-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CC(=O)NCC1([NH2+]C)CCC1)C1CC1 ZINC000630001530 361888172 /nfs/dbraw/zinc/88/81/72/361888172.db2.gz BVFQJODHAJOOEC-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185704008 538970780 /nfs/dbraw/zinc/97/07/80/538970780.db2.gz SGHCMKZYOQWARP-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185704008 538970781 /nfs/dbraw/zinc/97/07/81/538970781.db2.gz SGHCMKZYOQWARP-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185704059 538970819 /nfs/dbraw/zinc/97/08/19/538970819.db2.gz SGHCMKZYOQWARP-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185704059 538970820 /nfs/dbraw/zinc/97/08/20/538970820.db2.gz SGHCMKZYOQWARP-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000335464748 398289596 /nfs/dbraw/zinc/28/95/96/398289596.db2.gz METUWCLVXVMRKB-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516893 192045941 /nfs/dbraw/zinc/04/59/41/192045941.db2.gz UALLTRSSVMGRQW-GHMZBOCLSA-N 2 1 242.367 0.458 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379894631 538981004 /nfs/dbraw/zinc/98/10/04/538981004.db2.gz BWGWBMQPQVPWEE-NSHDSACASA-N 2 1 213.325 0.135 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000189323771 538982026 /nfs/dbraw/zinc/98/20/26/538982026.db2.gz JGVRPWHQPHMUKD-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH2+]C ZINC000417820892 398294395 /nfs/dbraw/zinc/29/43/95/398294395.db2.gz VJHKVCZFDZGGRE-UHFFFAOYSA-N 2 1 244.383 0.627 20 0 BCADMP C[NH+]1CCC([NH2+]CCCn2cncn2)CC1 ZINC000381647037 539005850 /nfs/dbraw/zinc/00/58/50/539005850.db2.gz BXLZFONMKUPOLZ-UHFFFAOYSA-N 2 1 223.324 0.352 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]([NH3+])CC ZINC000417819011 398293752 /nfs/dbraw/zinc/29/37/52/398293752.db2.gz TUIKWKIZQGXVQY-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390354587 539020784 /nfs/dbraw/zinc/02/07/84/539020784.db2.gz QDVAVCUUVTUJPW-XQQFMLRXSA-N 2 1 226.364 0.935 20 0 BCADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390518702 539026126 /nfs/dbraw/zinc/02/61/26/539026126.db2.gz DQYSRXAIRJNNAM-QWRGUYRKSA-N 2 1 220.320 0.678 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618667 539026717 /nfs/dbraw/zinc/02/67/17/539026717.db2.gz HRVZOCJCULIFPX-LPWJVIDDSA-N 2 1 224.348 0.953 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000236789182 398316779 /nfs/dbraw/zinc/31/67/79/398316779.db2.gz WGDRWWUYLKZHQC-NHCYSSNCSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167341651 136245427 /nfs/dbraw/zinc/24/54/27/136245427.db2.gz NGCNSHGCDDZUGY-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167341550 136245503 /nfs/dbraw/zinc/24/55/03/136245503.db2.gz NGCNSHGCDDZUGY-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418578188 192052804 /nfs/dbraw/zinc/05/28/04/192052804.db2.gz ZYOAMKYPIGJGKQ-LPEHRKFASA-N 2 1 228.340 0.068 20 0 BCADMP CC(C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054427 398333670 /nfs/dbraw/zinc/33/36/70/398333670.db2.gz XQMDIAPYVNXUII-WDEREUQCSA-N 2 1 212.337 0.974 20 0 BCADMP [NH3+]C1(CC(=O)NCC[N@@H+]2CC=CCC2)CCC1 ZINC000392805535 398335360 /nfs/dbraw/zinc/33/53/60/398335360.db2.gz BUPAGAIRHOYRBI-UHFFFAOYSA-N 2 1 237.347 0.636 20 0 BCADMP COC[C@@H](C)C[N@@H+](CCO)C1CCN(C)CC1 ZINC000189502629 346890681 /nfs/dbraw/zinc/89/06/81/346890681.db2.gz KXYQDTRRIRYPDK-LBPRGKRZSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@H]1CC[N@H+](CCNC(=O)CC(F)(F)C[NH3+])C1 ZINC000581376968 398344275 /nfs/dbraw/zinc/34/42/75/398344275.db2.gz QRWRXURJQRPGCK-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])C1 ZINC000581376968 398344276 /nfs/dbraw/zinc/34/42/76/398344276.db2.gz QRWRXURJQRPGCK-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000351849741 136257919 /nfs/dbraw/zinc/25/79/19/136257919.db2.gz HAWZFJMUTOTTTH-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000351859155 136258576 /nfs/dbraw/zinc/25/85/76/136258576.db2.gz BOJRKXCDTFLFPJ-JBLDHEPKSA-N 2 1 237.347 0.419 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000036870191 342992550 /nfs/dbraw/zinc/99/25/50/342992550.db2.gz ZZXCACDPMHAQIT-NSHDSACASA-N 2 1 246.376 0.105 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC000356806190 187213353 /nfs/dbraw/zinc/21/33/53/187213353.db2.gz MNKUVUROOVUGTD-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000356806190 187213355 /nfs/dbraw/zinc/21/33/55/187213355.db2.gz MNKUVUROOVUGTD-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000356806190 187213357 /nfs/dbraw/zinc/21/33/57/187213357.db2.gz MNKUVUROOVUGTD-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CC1 ZINC000335905501 136260779 /nfs/dbraw/zinc/26/07/79/136260779.db2.gz MAGUJEHOHJRTPC-WCBMZHEXSA-N 2 1 223.320 0.077 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362514104 187219549 /nfs/dbraw/zinc/21/95/49/187219549.db2.gz VLEHQPYDRVSMAY-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373054362 187223856 /nfs/dbraw/zinc/22/38/56/187223856.db2.gz VSDPKSBJGHDNJE-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000235448318 343038066 /nfs/dbraw/zinc/03/80/66/343038066.db2.gz HZPKOHUSEQDRML-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000235448318 343038067 /nfs/dbraw/zinc/03/80/67/343038067.db2.gz HZPKOHUSEQDRML-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C1(C2CC2)CC1)C1CC1 ZINC000309988167 259344006 /nfs/dbraw/zinc/34/40/06/259344006.db2.gz ZJYYEDZVMATBRY-LBPRGKRZSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(C2CC2)CC1)C1CC1 ZINC000309988167 259344008 /nfs/dbraw/zinc/34/40/08/259344008.db2.gz ZJYYEDZVMATBRY-LBPRGKRZSA-N 2 1 224.348 0.974 20 0 BCADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H](C)O ZINC000400481632 529666410 /nfs/dbraw/zinc/66/64/10/529666410.db2.gz WGHWFQQJWDIIHY-CHWFTXMASA-N 2 1 200.326 0.876 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119004514 343065458 /nfs/dbraw/zinc/06/54/58/343065458.db2.gz PAQRGLIFFZRUPY-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000576837845 365700373 /nfs/dbraw/zinc/70/03/73/365700373.db2.gz FQJQLBIZORJPEC-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)nn1 ZINC000236102763 343079959 /nfs/dbraw/zinc/07/99/59/343079959.db2.gz SWBPJXWTWAJCQB-UHFFFAOYSA-N 2 1 223.324 0.376 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300357317 488200270 /nfs/dbraw/zinc/20/02/70/488200270.db2.gz XGJYCQVMMHGOCM-MNOVXSKESA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300357317 488200273 /nfs/dbraw/zinc/20/02/73/488200273.db2.gz XGJYCQVMMHGOCM-MNOVXSKESA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236648282 343105492 /nfs/dbraw/zinc/10/54/92/343105492.db2.gz CXPGLCHGYVRDFQ-QWRGUYRKSA-N 2 1 227.352 0.665 20 0 BCADMP [NH3+]C1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000092721586 343148468 /nfs/dbraw/zinc/14/84/68/343148468.db2.gz ICWGRQHUPYVUGY-BETUJISGSA-N 2 1 239.363 0.273 20 0 BCADMP [NH3+]C1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000092721586 343148470 /nfs/dbraw/zinc/14/84/70/343148470.db2.gz ICWGRQHUPYVUGY-BETUJISGSA-N 2 1 239.363 0.273 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC(C)(C)C1 ZINC000576879303 365712734 /nfs/dbraw/zinc/71/27/34/365712734.db2.gz FDXJWDLPQFSZQX-NSHDSACASA-N 2 1 200.326 0.689 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000123988669 343166319 /nfs/dbraw/zinc/16/63/19/343166319.db2.gz NABWXTCTAMUICO-LLVKDONJSA-N 2 1 222.336 0.981 20 0 BCADMP Cn1cnnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000150283501 343197116 /nfs/dbraw/zinc/19/71/16/343197116.db2.gz PBSLFHLHZJHBNO-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000150283501 343197119 /nfs/dbraw/zinc/19/71/19/343197119.db2.gz PBSLFHLHZJHBNO-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157232513 343199499 /nfs/dbraw/zinc/19/94/99/343199499.db2.gz XFRWYLLGJNMWFY-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634683658 343205361 /nfs/dbraw/zinc/20/53/61/343205361.db2.gz WUGILWMRRZUZIA-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634683658 343205362 /nfs/dbraw/zinc/20/53/62/343205362.db2.gz WUGILWMRRZUZIA-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000398073944 488207587 /nfs/dbraw/zinc/20/75/87/488207587.db2.gz AVAUGHRBQPFWQP-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000163553593 343206825 /nfs/dbraw/zinc/20/68/25/343206825.db2.gz ZTRNBBWYRMZPQO-MXWKQRLJSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000163553400 343206890 /nfs/dbraw/zinc/20/68/90/343206890.db2.gz ZTRNBBWYRMZPQO-GMTAPVOTSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167498334 343208914 /nfs/dbraw/zinc/20/89/14/343208914.db2.gz JWRVXONYFBGRIC-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000165391376 343211273 /nfs/dbraw/zinc/21/12/73/343211273.db2.gz JUDJUOCBIVYZMH-DCAQKATOSA-N 2 1 227.352 0.428 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000311213171 136275911 /nfs/dbraw/zinc/27/59/11/136275911.db2.gz MCEKNMIEPFHKGN-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[NH2+]C2)cs1 ZINC000237932560 343220137 /nfs/dbraw/zinc/22/01/37/343220137.db2.gz VGUXAPIBVLMRKE-ZETCQYMHSA-N 2 1 240.332 0.084 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000569723613 323038737 /nfs/dbraw/zinc/03/87/37/323038737.db2.gz GACMCZWXHHHPFL-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000569723613 323038738 /nfs/dbraw/zinc/03/87/38/323038738.db2.gz GACMCZWXHHHPFL-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(C)c1 ZINC000133597477 343191295 /nfs/dbraw/zinc/19/12/95/343191295.db2.gz DEBRFYZNZNGYJG-MWLCHTKSSA-N 2 1 208.309 0.732 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(C)c1 ZINC000133597477 343191296 /nfs/dbraw/zinc/19/12/96/343191296.db2.gz DEBRFYZNZNGYJG-MWLCHTKSSA-N 2 1 208.309 0.732 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065708 488206866 /nfs/dbraw/zinc/20/68/66/488206866.db2.gz JGFUNBAULCLFFB-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccnn1C ZINC000634687344 343241467 /nfs/dbraw/zinc/24/14/67/343241467.db2.gz IBBVGLIQHHYFJW-GFCCVEGCSA-N 2 1 224.352 0.926 20 0 BCADMP COCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569745378 323039756 /nfs/dbraw/zinc/03/97/56/323039756.db2.gz UYDPKSGVZKUCIE-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569745378 323039757 /nfs/dbraw/zinc/03/97/57/323039757.db2.gz UYDPKSGVZKUCIE-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP C[C@H]1CC[C@H](C[NH+]2CCC([NH2+]CCO)CC2)O1 ZINC000634688536 343249099 /nfs/dbraw/zinc/24/90/99/343249099.db2.gz VUXJBJRJYJXVQV-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217843 343280064 /nfs/dbraw/zinc/28/00/64/343280064.db2.gz BESCCYVNRMPBFO-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373558 343316718 /nfs/dbraw/zinc/31/67/18/343316718.db2.gz KUWWGSKRVVDUBZ-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP [NH3+]CC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000335624287 136299343 /nfs/dbraw/zinc/29/93/43/136299343.db2.gz BOQVYJFGVBISRK-UHFFFAOYSA-N 2 1 223.364 0.801 20 0 BCADMP CCn1cncc1C[NH2+]CCc1c[nH+]cn1C ZINC000401803998 343376121 /nfs/dbraw/zinc/37/61/21/343376121.db2.gz PEOODBQAALGWQV-UHFFFAOYSA-N 2 1 233.319 0.969 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657948 136307048 /nfs/dbraw/zinc/30/70/48/136307048.db2.gz PRIQPZFNDXQOKK-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000166217995 136309972 /nfs/dbraw/zinc/30/99/72/136309972.db2.gz BYKMXAFJLMYUNQ-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000166217995 136309973 /nfs/dbraw/zinc/30/99/73/136309973.db2.gz BYKMXAFJLMYUNQ-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP COCC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000349014850 136312225 /nfs/dbraw/zinc/31/22/25/136312225.db2.gz XJMBKSQLWRUOQR-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000166230594 136315690 /nfs/dbraw/zinc/31/56/90/136315690.db2.gz ADQPXUTWIRFGTN-ZDUSSCGKSA-N 2 1 225.380 0.870 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238010 343399139 /nfs/dbraw/zinc/39/91/39/343399139.db2.gz IMOQUCGOQAWQFK-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238010 343399140 /nfs/dbraw/zinc/39/91/40/343399140.db2.gz IMOQUCGOQAWQFK-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000310312003 343424017 /nfs/dbraw/zinc/42/40/17/343424017.db2.gz WRBAZEGKNNTMFR-JHJVBQTASA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000310312003 343424021 /nfs/dbraw/zinc/42/40/21/343424021.db2.gz WRBAZEGKNNTMFR-JHJVBQTASA-N 2 1 244.379 0.704 20 0 BCADMP c1cn(CC[N@H+]2CCC[C@H]3COC[C@H]32)cn1 ZINC000367093850 136350328 /nfs/dbraw/zinc/35/03/28/136350328.db2.gz VIKBFQRDSJVDSQ-NWDGAFQWSA-N 2 1 221.304 0.994 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247967170 136373679 /nfs/dbraw/zinc/37/36/79/136373679.db2.gz IGLGSWNKPHOTIO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247967170 136373680 /nfs/dbraw/zinc/37/36/80/136373680.db2.gz IGLGSWNKPHOTIO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247967170 136373681 /nfs/dbraw/zinc/37/36/81/136373681.db2.gz IGLGSWNKPHOTIO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247967170 136373682 /nfs/dbraw/zinc/37/36/82/136373682.db2.gz IGLGSWNKPHOTIO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCOCC1)C1CC1 ZINC000310395436 343470244 /nfs/dbraw/zinc/47/02/44/343470244.db2.gz LWWBLUXLLOXSJA-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCOCC1)C1CC1 ZINC000310395436 343470247 /nfs/dbraw/zinc/47/02/47/343470247.db2.gz LWWBLUXLLOXSJA-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000083961260 343511515 /nfs/dbraw/zinc/51/15/15/343511515.db2.gz VSEFQNLISZEQQA-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000310490060 343515289 /nfs/dbraw/zinc/51/52/89/343515289.db2.gz FTJCQIUIIDYLIM-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000310490060 343515290 /nfs/dbraw/zinc/51/52/90/343515290.db2.gz FTJCQIUIIDYLIM-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000310490060 343515292 /nfs/dbraw/zinc/51/52/92/343515292.db2.gz FTJCQIUIIDYLIM-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000310539924 343528521 /nfs/dbraw/zinc/52/85/21/343528521.db2.gz BXQBVERGDFMJQI-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP CC[C@@H]1CO[C@@H](C)CN1C[C@H](O)C[N@@H+](C)CC ZINC000310564999 343537603 /nfs/dbraw/zinc/53/76/03/343537603.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000618190554 343554793 /nfs/dbraw/zinc/55/47/93/343554793.db2.gz YFCDYJOGYCRBMF-UHFFFAOYSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnnn1C ZINC000577026128 365773716 /nfs/dbraw/zinc/77/37/16/365773716.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 1 237.351 0.587 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000086065099 343608902 /nfs/dbraw/zinc/60/89/02/343608902.db2.gz ZKASRDODBBNCMH-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000086068913 343609329 /nfs/dbraw/zinc/60/93/29/343609329.db2.gz ZNWDRCSIZMYHPB-SECBINFHSA-N 2 1 213.325 0.052 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(C)c1 ZINC000049330360 187270523 /nfs/dbraw/zinc/27/05/23/187270523.db2.gz OQKZORKZHHUJGO-UHFFFAOYSA-N 2 1 219.292 0.715 20 0 BCADMP CC(C)NC(=O)CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625436969 343734228 /nfs/dbraw/zinc/73/42/28/343734228.db2.gz JXQGSZTYPPAPLN-UHFFFAOYSA-N 2 1 236.319 0.683 20 0 BCADMP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000418733001 192064896 /nfs/dbraw/zinc/06/48/96/192064896.db2.gz UZHFOIAZHWQZDB-VHSXEESVSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000262133548 349853029 /nfs/dbraw/zinc/85/30/29/349853029.db2.gz NBWWPAZRYQPODY-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784310 343909105 /nfs/dbraw/zinc/90/91/05/343909105.db2.gz MXHMIKYVOSEVRB-AGIUHOORSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784310 343909108 /nfs/dbraw/zinc/90/91/08/343909108.db2.gz MXHMIKYVOSEVRB-AGIUHOORSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784310 343909109 /nfs/dbraw/zinc/90/91/09/343909109.db2.gz MXHMIKYVOSEVRB-AGIUHOORSA-N 2 1 223.364 0.799 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784522 343909417 /nfs/dbraw/zinc/90/94/17/343909417.db2.gz QCKVXAZXQOHHMJ-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784522 343909419 /nfs/dbraw/zinc/90/94/19/343909419.db2.gz QCKVXAZXQOHHMJ-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@](C)([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641176162 362254050 /nfs/dbraw/zinc/25/40/50/362254050.db2.gz WZJQBAZDXYINDJ-GFCCVEGCSA-N 2 1 248.334 0.838 20 0 BCADMP CCC[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634724472 343932783 /nfs/dbraw/zinc/93/27/83/343932783.db2.gz QXHTVYNPXCXNRD-AAEUAGOBSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724472 343932787 /nfs/dbraw/zinc/93/27/87/343932787.db2.gz QXHTVYNPXCXNRD-AAEUAGOBSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724473 343932821 /nfs/dbraw/zinc/93/28/21/343932821.db2.gz QXHTVYNPXCXNRD-DGCLKSJQSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724473 343932823 /nfs/dbraw/zinc/93/28/23/343932823.db2.gz QXHTVYNPXCXNRD-DGCLKSJQSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H]1C[NH2+]CC[C@H]1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733748 344114101 /nfs/dbraw/zinc/11/41/01/344114101.db2.gz MUNPLJPMZNVAEF-FQUUOJAGSA-N 2 1 237.391 0.964 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735320 344121967 /nfs/dbraw/zinc/12/19/67/344121967.db2.gz CFBIBVHLBKPZOJ-XQHKEYJVSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000570720937 323068497 /nfs/dbraw/zinc/06/84/97/323068497.db2.gz PTJHVCZYQCCSQN-AGIUHOORSA-N 2 1 241.379 0.376 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000130462817 344139986 /nfs/dbraw/zinc/13/99/86/344139986.db2.gz MFMWRGBUOGHKMY-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129403391 344212494 /nfs/dbraw/zinc/21/24/94/344212494.db2.gz JBPHGLAZOSXRKO-NSHDSACASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCOCCO)CC[N@H+]1C ZINC000129749685 344214463 /nfs/dbraw/zinc/21/44/63/344214463.db2.gz SXKWBEVMVLZQQE-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129922300 344217443 /nfs/dbraw/zinc/21/74/43/344217443.db2.gz KVSHXDRMWGRKIG-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000622044973 344229341 /nfs/dbraw/zinc/22/93/41/344229341.db2.gz YZDLLPWKMBKROS-DCAQKATOSA-N 2 1 215.341 0.080 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N(C)C ZINC000126877848 344186014 /nfs/dbraw/zinc/18/60/14/344186014.db2.gz ZQGMBXAAJMBCCZ-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000600705370 344360241 /nfs/dbraw/zinc/36/02/41/344360241.db2.gz QUCFCEZESMXLLA-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP CCSCC[N@@H+](C)CCOCC[NH2+]C ZINC000600729250 344364002 /nfs/dbraw/zinc/36/40/02/344364002.db2.gz UGMUCYDPPLPRHJ-UHFFFAOYSA-N 2 1 220.382 0.907 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092950579 344306618 /nfs/dbraw/zinc/30/66/18/344306618.db2.gz VLEHGQDIBFRTEJ-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP c1cc2c(nc[nH+]c2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000634810143 344395021 /nfs/dbraw/zinc/39/50/21/344395021.db2.gz NRDKJZLPPRBLHB-BRPSZJMVSA-N 2 1 215.260 0.588 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000600947417 344400943 /nfs/dbraw/zinc/40/09/43/344400943.db2.gz SVACIBAQXWMPHK-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920268 344410963 /nfs/dbraw/zinc/41/09/63/344410963.db2.gz GBITUVCHXRSXFZ-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000380836394 344442488 /nfs/dbraw/zinc/44/24/88/344442488.db2.gz RRJNUHUBKHMGNS-QWRGUYRKSA-N 2 1 223.324 0.195 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000132445470 344459808 /nfs/dbraw/zinc/45/98/08/344459808.db2.gz GCYWPJUNKJSZJX-CABZTGNLSA-N 2 1 249.314 0.255 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C ZINC000042588094 344460008 /nfs/dbraw/zinc/46/00/08/344460008.db2.gz DKRQVDUCRUPOLZ-QWRGUYRKSA-N 2 1 202.342 0.933 20 0 BCADMP C[C@H](O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381053818 344473998 /nfs/dbraw/zinc/47/39/98/344473998.db2.gz IQYMQJCUQQFPKL-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381053818 344473999 /nfs/dbraw/zinc/47/39/99/344473999.db2.gz IQYMQJCUQQFPKL-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP O=C([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812579 344591057 /nfs/dbraw/zinc/59/10/57/344591057.db2.gz AYEYRUHJTMUZHD-NWDGAFQWSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237066440 344587958 /nfs/dbraw/zinc/58/79/58/344587958.db2.gz HIUDLVAMUBRFBU-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000641494347 362461018 /nfs/dbraw/zinc/46/10/18/362461018.db2.gz VIYVZTQLNMADID-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000113437967 344660677 /nfs/dbraw/zinc/66/06/77/344660677.db2.gz DIABXDUEDXFGMX-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000113437967 344660679 /nfs/dbraw/zinc/66/06/79/344660679.db2.gz DIABXDUEDXFGMX-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CSC[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000400002400 344747999 /nfs/dbraw/zinc/74/79/99/344747999.db2.gz OTELLIVHXZNOCG-SNVBAGLBSA-N 2 1 218.366 0.789 20 0 BCADMP CSC[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000400004725 344748259 /nfs/dbraw/zinc/74/82/59/344748259.db2.gz QHEZSCSLKCRGHZ-GFCCVEGCSA-N 2 1 243.420 0.719 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626045898 344695255 /nfs/dbraw/zinc/69/52/55/344695255.db2.gz GVCQOZGDRFNMLC-TXEJJXNPSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626045898 344695257 /nfs/dbraw/zinc/69/52/57/344695257.db2.gz GVCQOZGDRFNMLC-TXEJJXNPSA-N 2 1 223.320 0.894 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088898 537872706 /nfs/dbraw/zinc/87/27/06/537872706.db2.gz DSCHOTQXZYPWIS-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2C)CCO1 ZINC000579354953 344956296 /nfs/dbraw/zinc/95/62/96/344956296.db2.gz RWQXEBLZLPYZPL-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2C)CCO1 ZINC000579354953 344956298 /nfs/dbraw/zinc/95/62/98/344956298.db2.gz RWQXEBLZLPYZPL-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[NH+](C)C ZINC000339236116 537877892 /nfs/dbraw/zinc/87/78/92/537877892.db2.gz QTSADADXOIBSIJ-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH+](C)C ZINC000339236115 537877922 /nfs/dbraw/zinc/87/79/22/537877922.db2.gz QTSADADXOIBSIJ-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000583448481 344997138 /nfs/dbraw/zinc/99/71/38/344997138.db2.gz COGXHOPAOAEPLO-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP OCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000155824097 345107793 /nfs/dbraw/zinc/10/77/93/345107793.db2.gz MNMZLHWDYDGDSB-RYUDHWBXSA-N 2 1 228.336 0.212 20 0 BCADMP OCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000155823889 345107812 /nfs/dbraw/zinc/10/78/12/345107812.db2.gz MNMZLHWDYDGDSB-NEPJUHHUSA-N 2 1 228.336 0.212 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990846 345173422 /nfs/dbraw/zinc/17/34/22/345173422.db2.gz FOIWMWPUTKSKDD-VXGBXAGGSA-N 3 1 213.369 0.759 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990846 345173424 /nfs/dbraw/zinc/17/34/24/345173424.db2.gz FOIWMWPUTKSKDD-VXGBXAGGSA-N 3 1 213.369 0.759 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991742 345178635 /nfs/dbraw/zinc/17/86/35/345178635.db2.gz QAENKUGTNNXRAY-IJLUTSLNSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991742 345178636 /nfs/dbraw/zinc/17/86/36/345178636.db2.gz QAENKUGTNNXRAY-IJLUTSLNSA-N 3 1 213.369 0.886 20 0 BCADMP C(C[C@@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000634994541 345181798 /nfs/dbraw/zinc/18/17/98/345181798.db2.gz GXDOJMGWASJJGM-UNXYVOJBSA-N 2 1 209.337 0.328 20 0 BCADMP C(CNCC12CC(C1)C[NH2+]2)C[C@H]1CCC[NH2+]1 ZINC000634995606 345185454 /nfs/dbraw/zinc/18/54/54/345185454.db2.gz KFLLLYVMYBKUES-CPCZMJQVSA-N 2 1 223.364 0.860 20 0 BCADMP Cc1nn(C)c(C)c1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995989 345185878 /nfs/dbraw/zinc/18/58/78/345185878.db2.gz VUTRJFYONWXYDZ-UHFFFAOYSA-N 2 1 248.374 0.921 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000634995898 345185915 /nfs/dbraw/zinc/18/59/15/345185915.db2.gz SDSDNZQHODGUQS-RYUDHWBXSA-N 3 1 229.368 0.185 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000634995903 345186201 /nfs/dbraw/zinc/18/62/01/345186201.db2.gz SHRRXDZOJLOBGI-IJLUTSLNSA-N 3 1 213.369 0.805 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000634996920 345186409 /nfs/dbraw/zinc/18/64/09/345186409.db2.gz YYCINICNEMFQFU-AXFHLTTASA-N 3 1 201.358 0.933 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156103929 345125363 /nfs/dbraw/zinc/12/53/63/345125363.db2.gz JVLXHWZWFXBPOR-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1CC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)O1 ZINC000634996226 345187359 /nfs/dbraw/zinc/18/73/59/345187359.db2.gz DKGRNOYLOFZMQG-QTAHKJALSA-N 2 1 210.321 0.896 20 0 BCADMP C[C@H]1CC[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)O1 ZINC000634996227 345187698 /nfs/dbraw/zinc/18/76/98/345187698.db2.gz DKGRNOYLOFZMQG-UZEXVOJHSA-N 2 1 210.321 0.896 20 0 BCADMP c1cn(C[C@@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996524 345187832 /nfs/dbraw/zinc/18/78/32/345187832.db2.gz MPIXKWPJBLVZTF-PNESKVBLSA-N 2 1 247.346 0.352 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996524 345187834 /nfs/dbraw/zinc/18/78/34/345187834.db2.gz MPIXKWPJBLVZTF-PNESKVBLSA-N 2 1 247.346 0.352 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635111641 345248776 /nfs/dbraw/zinc/24/87/76/345248776.db2.gz KJPBQYFMEVPBFX-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CCn1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634998382 345198278 /nfs/dbraw/zinc/19/82/78/345198278.db2.gz FAPKNNVSBPLYSG-CMPLNLGQSA-N 2 1 222.336 0.930 20 0 BCADMP N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003166 345205315 /nfs/dbraw/zinc/20/53/15/345205315.db2.gz AFHFFIILBQQHJO-KKOKHZNYSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012808 345215079 /nfs/dbraw/zinc/21/50/79/345215079.db2.gz VPYVGTPXYFCXAV-JQWIXIFHSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000635349650 345318768 /nfs/dbraw/zinc/31/87/68/345318768.db2.gz ZOUBWYLGFIRDEO-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000635310825 345302374 /nfs/dbraw/zinc/30/23/74/345302374.db2.gz LXOWVDAJGQIWSH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000635380282 345337040 /nfs/dbraw/zinc/33/70/40/345337040.db2.gz UORXSBSLYYCDNX-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](C)CC1 ZINC000335981882 534993725 /nfs/dbraw/zinc/99/37/25/534993725.db2.gz HBOJZYNZXVUSEP-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](C)CC1 ZINC000335981882 534993730 /nfs/dbraw/zinc/99/37/30/534993730.db2.gz HBOJZYNZXVUSEP-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000335981882 534993733 /nfs/dbraw/zinc/99/37/33/534993733.db2.gz HBOJZYNZXVUSEP-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CCSCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000158567061 345349621 /nfs/dbraw/zinc/34/96/21/345349621.db2.gz DUZYONLOSJAZBG-UHFFFAOYSA-N 2 1 245.392 0.103 20 0 BCADMP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000635422780 345358051 /nfs/dbraw/zinc/35/80/51/345358051.db2.gz ZUFIRHNXIKSCAJ-SECBINFHSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)N(CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336644732 187304862 /nfs/dbraw/zinc/30/48/62/187304862.db2.gz CNDVOYNCYUOIGF-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336644732 187304863 /nfs/dbraw/zinc/30/48/63/187304863.db2.gz CNDVOYNCYUOIGF-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336644732 187304865 /nfs/dbraw/zinc/30/48/65/187304865.db2.gz CNDVOYNCYUOIGF-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336644732 187304866 /nfs/dbraw/zinc/30/48/66/187304866.db2.gz CNDVOYNCYUOIGF-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336644732 187304868 /nfs/dbraw/zinc/30/48/68/187304868.db2.gz CNDVOYNCYUOIGF-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600972167 345541278 /nfs/dbraw/zinc/54/12/78/345541278.db2.gz XELRKSAZFBLHDG-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600972167 345541279 /nfs/dbraw/zinc/54/12/79/345541279.db2.gz XELRKSAZFBLHDG-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600972167 345541280 /nfs/dbraw/zinc/54/12/80/345541280.db2.gz XELRKSAZFBLHDG-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600972167 345541281 /nfs/dbraw/zinc/54/12/81/345541281.db2.gz XELRKSAZFBLHDG-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252852070 345588484 /nfs/dbraw/zinc/58/84/84/345588484.db2.gz IIMMJBYBGQKDOM-RCWTZXSCSA-N 2 1 227.352 0.569 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000678866948 488291788 /nfs/dbraw/zinc/29/17/88/488291788.db2.gz YXFFCKGDQPJDLZ-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC(C)[N@@H+](CCCn1ccnc1)CC(N)=O ZINC000182619459 187309263 /nfs/dbraw/zinc/30/92/63/187309263.db2.gz HRJLSWQDVXGQNW-UHFFFAOYSA-N 2 1 224.308 0.469 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000111824825 345690960 /nfs/dbraw/zinc/69/09/60/345690960.db2.gz KVYQHBMRYZEAES-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000111824825 345690962 /nfs/dbraw/zinc/69/09/62/345690962.db2.gz KVYQHBMRYZEAES-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000216464402 345743316 /nfs/dbraw/zinc/74/33/16/345743316.db2.gz XGLJNUMVBXVQML-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635559583 345760792 /nfs/dbraw/zinc/76/07/92/345760792.db2.gz SYGLIPDJAKRTEC-SNVBAGLBSA-N 2 1 215.341 0.393 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC(n3ccnc3)C2)C1 ZINC000635565055 345787332 /nfs/dbraw/zinc/78/73/32/345787332.db2.gz KTTKNTJXYYBDSC-LLVKDONJSA-N 2 1 248.330 0.608 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000054128963 187360417 /nfs/dbraw/zinc/36/04/17/187360417.db2.gz RUNGFEDYYFZQPA-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062861123 187361861 /nfs/dbraw/zinc/36/18/61/187361861.db2.gz IYMBZBFMQUSGCV-ZDUSSCGKSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635822150 346077582 /nfs/dbraw/zinc/07/75/82/346077582.db2.gz NELCKNVYYFQMSL-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635822150 346077583 /nfs/dbraw/zinc/07/75/83/346077583.db2.gz NELCKNVYYFQMSL-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635822151 346077597 /nfs/dbraw/zinc/07/75/97/346077597.db2.gz NELCKNVYYFQMSL-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635822151 346077598 /nfs/dbraw/zinc/07/75/98/346077598.db2.gz NELCKNVYYFQMSL-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH+](C)C ZINC000635953808 346122917 /nfs/dbraw/zinc/12/29/17/346122917.db2.gz MZLVAYUVQUMEQU-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)NCCC[NH+](C)C ZINC000586848595 346163096 /nfs/dbraw/zinc/16/30/96/346163096.db2.gz AIOLSSQODFABQY-UHFFFAOYSA-N 2 1 244.383 0.578 20 0 BCADMP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000069277612 349943834 /nfs/dbraw/zinc/94/38/34/349943834.db2.gz UKEHDSLNGPQDTH-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP CCc1[nH+]ccn1CC(=O)N1CCN(C)CC1 ZINC000111550915 187318506 /nfs/dbraw/zinc/31/85/06/187318506.db2.gz HBCFEJPXFFWFBI-UHFFFAOYSA-N 2 1 236.319 0.220 20 0 BCADMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000636053597 346300923 /nfs/dbraw/zinc/30/09/23/346300923.db2.gz LMKDRCJSLCBGHJ-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000381540106 346302447 /nfs/dbraw/zinc/30/24/47/346302447.db2.gz IIBHURLRDQRBEM-NWDGAFQWSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000381540106 346302449 /nfs/dbraw/zinc/30/24/49/346302449.db2.gz IIBHURLRDQRBEM-NWDGAFQWSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CC)[NH+](C)C ZINC000574904116 346311752 /nfs/dbraw/zinc/31/17/52/346311752.db2.gz OYWYJNNHPYREAN-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CC)[NH+](C)C ZINC000574904116 346311754 /nfs/dbraw/zinc/31/17/54/346311754.db2.gz OYWYJNNHPYREAN-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CC)[NH+](C)C ZINC000574904113 346311930 /nfs/dbraw/zinc/31/19/30/346311930.db2.gz OYWYJNNHPYREAN-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CC)[NH+](C)C ZINC000574904113 346311933 /nfs/dbraw/zinc/31/19/33/346311933.db2.gz OYWYJNNHPYREAN-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636181076 346348726 /nfs/dbraw/zinc/34/87/26/346348726.db2.gz UIPKIEBWFOWLEG-LLVKDONJSA-N 2 1 239.363 0.348 20 0 BCADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1COCCO1 ZINC000336676048 187320788 /nfs/dbraw/zinc/32/07/88/187320788.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1COCCO1 ZINC000336676048 187320789 /nfs/dbraw/zinc/32/07/89/187320789.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1COCCO1 ZINC000336676048 187320791 /nfs/dbraw/zinc/32/07/91/187320791.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1COCCO1 ZINC000336676048 187320792 /nfs/dbraw/zinc/32/07/92/187320792.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636223093 346358579 /nfs/dbraw/zinc/35/85/79/346358579.db2.gz CZJWKRZOUSRXSN-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000636156676 346338862 /nfs/dbraw/zinc/33/88/62/346338862.db2.gz UYUTWYUQPXRERN-MNOVXSKESA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000636170555 346343194 /nfs/dbraw/zinc/34/31/94/346343194.db2.gz BLGRKXBWXLOGRZ-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000300369623 346433105 /nfs/dbraw/zinc/43/31/05/346433105.db2.gz ZELRULRALFHVTO-ZJUUUORDSA-N 2 1 215.341 0.441 20 0 BCADMP CC[NH+](CCC(=O)OC)C[C@H](O)C[N@@H+](C)CC ZINC000380031470 365815730 /nfs/dbraw/zinc/81/57/30/365815730.db2.gz PBYVJBURBRIUCO-LLVKDONJSA-N 2 1 246.351 0.184 20 0 BCADMP Cn1cncc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641799182 362746327 /nfs/dbraw/zinc/74/63/27/362746327.db2.gz OAXHDVGBNBXDDX-BETUJISGSA-N 2 1 248.374 0.894 20 0 BCADMP CC[NH+](CCC(=O)OC)C[C@H](O)C[N@H+](C)CC ZINC000380031470 365815734 /nfs/dbraw/zinc/81/57/34/365815734.db2.gz PBYVJBURBRIUCO-LLVKDONJSA-N 2 1 246.351 0.184 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCC(=O)OC ZINC000380031470 365815740 /nfs/dbraw/zinc/81/57/40/365815740.db2.gz PBYVJBURBRIUCO-LLVKDONJSA-N 2 1 246.351 0.184 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641799499 362748054 /nfs/dbraw/zinc/74/80/54/362748054.db2.gz QBWQOFOYNNVLOU-AAEUAGOBSA-N 2 1 234.347 0.646 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCC(=O)OC ZINC000380031470 365815745 /nfs/dbraw/zinc/81/57/45/365815745.db2.gz PBYVJBURBRIUCO-LLVKDONJSA-N 2 1 246.351 0.184 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641799500 362749201 /nfs/dbraw/zinc/74/92/01/362749201.db2.gz QBWQOFOYNNVLOU-DGCLKSJQSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cncc1CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000641797103 362741551 /nfs/dbraw/zinc/74/15/51/362741551.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641797114 362741601 /nfs/dbraw/zinc/74/16/01/362741601.db2.gz UXCRSIPZGQSPOR-JTQLQIEISA-N 2 1 208.309 0.256 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000641797033 362741627 /nfs/dbraw/zinc/74/16/27/362741627.db2.gz QDSLLIZIPCNPBM-JQWIXIFHSA-N 2 1 238.335 0.011 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000641800757 362753531 /nfs/dbraw/zinc/75/35/31/362753531.db2.gz FHXTWMVTSAEHGR-ZJUUUORDSA-N 2 1 248.392 0.527 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641802208 362758312 /nfs/dbraw/zinc/75/83/12/362758312.db2.gz ZNFSWEOSCCZLNP-PHIMTYICSA-N 2 1 220.320 0.399 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000641807464 362764454 /nfs/dbraw/zinc/76/44/54/362764454.db2.gz UHYOKXHYUMBKRQ-GHMZBOCLSA-N 2 1 239.363 0.761 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000580644717 365832396 /nfs/dbraw/zinc/83/23/96/365832396.db2.gz VNLPYMORJZUUQN-MWLCHTKSSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+]1CC(C)C1 ZINC000577132231 365832461 /nfs/dbraw/zinc/83/24/61/365832461.db2.gz GOSSFNUYHWKMQA-NSHDSACASA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000580648165 365843348 /nfs/dbraw/zinc/84/33/48/365843348.db2.gz CPHBXLDIOOTDSM-RQJHMYQMSA-N 2 1 242.348 0.457 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000300421828 346745954 /nfs/dbraw/zinc/74/59/54/346745954.db2.gz PWXCQXJABPDHSB-TUAOUCFPSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378663381 346798404 /nfs/dbraw/zinc/79/84/04/346798404.db2.gz BCSRYHUPMREOIV-IRCOFANPSA-N 2 1 212.337 0.687 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000641824584 362774407 /nfs/dbraw/zinc/77/44/07/362774407.db2.gz UQJVPPSMWFPUAM-AAEUAGOBSA-N 2 1 234.347 0.776 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330489 347221007 /nfs/dbraw/zinc/22/10/07/347221007.db2.gz TZQNWHPVFCPCEO-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330489 347221011 /nfs/dbraw/zinc/22/10/11/347221011.db2.gz TZQNWHPVFCPCEO-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](CO)CCOC)CC1 ZINC000300797964 347253512 /nfs/dbraw/zinc/25/35/12/347253512.db2.gz DJMNEVVJHYAPTH-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000310534191 347291194 /nfs/dbraw/zinc/29/11/94/347291194.db2.gz OVHXVHNEFPGVMQ-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000310534191 347291197 /nfs/dbraw/zinc/29/11/97/347291197.db2.gz OVHXVHNEFPGVMQ-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739209 347254215 /nfs/dbraw/zinc/25/42/15/347254215.db2.gz DDHJVNVMDLZAAK-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739209 347254217 /nfs/dbraw/zinc/25/42/17/347254217.db2.gz DDHJVNVMDLZAAK-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CCc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(C)[nH+]1 ZINC000250525885 362808722 /nfs/dbraw/zinc/80/87/22/362808722.db2.gz RNVABTIPJIMMIA-IAZYJMLFSA-N 2 1 218.304 0.977 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C ZINC000571401968 323143620 /nfs/dbraw/zinc/14/36/20/323143620.db2.gz CMHDVRFFDQYHHM-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252750701 347371167 /nfs/dbraw/zinc/37/11/67/347371167.db2.gz BEEYTMJNBZCQHP-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCC[NH2+]1 ZINC000333337842 537989789 /nfs/dbraw/zinc/98/97/89/537989789.db2.gz XKPBWOKEEGXTJU-MVWJERBFSA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000054133664 347469069 /nfs/dbraw/zinc/46/90/69/347469069.db2.gz SGCNLQMXSPSIFR-SECBINFHSA-N 2 1 201.314 0.180 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617014915 347582346 /nfs/dbraw/zinc/58/23/46/347582346.db2.gz QVQAOEJKVVKCTO-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617014915 347582348 /nfs/dbraw/zinc/58/23/48/347582348.db2.gz QVQAOEJKVVKCTO-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP COC(=O)C(C)(C)CCNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281650 347637374 /nfs/dbraw/zinc/63/73/74/347637374.db2.gz IDZZADVXLKRHDU-UWVGGRQHSA-N 2 1 246.326 0.865 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252868306 347654351 /nfs/dbraw/zinc/65/43/51/347654351.db2.gz RLLUATQNBUQLQX-BJDJZHNGSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000591430094 347655300 /nfs/dbraw/zinc/65/53/00/347655300.db2.gz XTCXSEATEJXJQT-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591418434 347657039 /nfs/dbraw/zinc/65/70/39/347657039.db2.gz BDTPHHBPNDLERD-NSHDSACASA-N 2 1 241.379 0.642 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380121051 365901241 /nfs/dbraw/zinc/90/12/41/365901241.db2.gz UTMUIQCGQQHXQK-WOPDTQHZSA-N 2 1 212.337 0.810 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]CC(C)(C)C)CC1 ZINC000591701544 347690347 /nfs/dbraw/zinc/69/03/47/347690347.db2.gz RZAWXKADCMFHGV-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1Cc1nccn1C ZINC000591873805 347705142 /nfs/dbraw/zinc/70/51/42/347705142.db2.gz ZGRXJHSBPNPYGG-NSHDSACASA-N 2 1 222.336 0.946 20 0 BCADMP CC[C@H]1CN(C)CCN1Cc1nccn1C ZINC000591873805 347705143 /nfs/dbraw/zinc/70/51/43/347705143.db2.gz ZGRXJHSBPNPYGG-NSHDSACASA-N 2 1 222.336 0.946 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591916152 347708620 /nfs/dbraw/zinc/70/86/20/347708620.db2.gz YNINGAVTFBEBTH-LLVKDONJSA-N 2 1 236.319 0.656 20 0 BCADMP CCNC(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000591916152 347708623 /nfs/dbraw/zinc/70/86/23/347708623.db2.gz YNINGAVTFBEBTH-LLVKDONJSA-N 2 1 236.319 0.656 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000252882378 347670374 /nfs/dbraw/zinc/67/03/74/347670374.db2.gz ZJTBOPNSRAYPRX-UTLUCORTSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000531959094 323158004 /nfs/dbraw/zinc/15/80/04/323158004.db2.gz OWWZPLGVRJUMPL-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC(C)C1 ZINC000577386875 365941608 /nfs/dbraw/zinc/94/16/08/365941608.db2.gz VUKYAYHFGWIPMG-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386875 365941610 /nfs/dbraw/zinc/94/16/10/365941610.db2.gz VUKYAYHFGWIPMG-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386875 365941612 /nfs/dbraw/zinc/94/16/12/365941612.db2.gz VUKYAYHFGWIPMG-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000594739273 348110496 /nfs/dbraw/zinc/11/04/96/348110496.db2.gz RTSVUFXSEBIEIC-UWVGGRQHSA-N 2 1 223.320 0.030 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000308831626 323179744 /nfs/dbraw/zinc/17/97/44/323179744.db2.gz UKROUPFSNNXFQK-SECBINFHSA-N 2 1 210.281 0.045 20 0 BCADMP COC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000308845743 323179760 /nfs/dbraw/zinc/17/97/60/323179760.db2.gz ACGKIWMBIJKPBG-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP COC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508359 348265015 /nfs/dbraw/zinc/26/50/15/348265015.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508359 348265017 /nfs/dbraw/zinc/26/50/17/348265017.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508359 348265018 /nfs/dbraw/zinc/26/50/18/348265018.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508359 348265020 /nfs/dbraw/zinc/26/50/20/348265020.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CNCCO1 ZINC000595892113 348390840 /nfs/dbraw/zinc/39/08/40/348390840.db2.gz KSNRKQLWVUGBAR-QWRGUYRKSA-N 2 1 242.319 0.002 20 0 BCADMP CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903547 348395080 /nfs/dbraw/zinc/39/50/80/348395080.db2.gz XYCZOJFDQANUNB-GARJFASQSA-N 2 1 225.336 0.275 20 0 BCADMP CC(C)=CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902649 348395473 /nfs/dbraw/zinc/39/54/73/348395473.db2.gz CPAVXWTYRSRMGJ-NEPJUHHUSA-N 2 1 237.347 0.587 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000070317320 349993552 /nfs/dbraw/zinc/99/35/52/349993552.db2.gz REWUSLOFFSBSFZ-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000054133337 348892590 /nfs/dbraw/zinc/89/25/90/348892590.db2.gz VYMRXFRUDAAORK-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599297161 349150569 /nfs/dbraw/zinc/15/05/69/349150569.db2.gz OSOHEYZPBNUFHV-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000251029331 349181529 /nfs/dbraw/zinc/18/15/29/349181529.db2.gz JWROTNGSVGDZOI-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000251029331 349181534 /nfs/dbraw/zinc/18/15/34/349181534.db2.gz JWROTNGSVGDZOI-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH2+]C)C1 ZINC000250340516 349169664 /nfs/dbraw/zinc/16/96/64/349169664.db2.gz PRYYJHYAMLSLIS-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000250400877 349171056 /nfs/dbraw/zinc/17/10/56/349171056.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 2 1 240.395 0.092 20 0 BCADMP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000250400877 349171057 /nfs/dbraw/zinc/17/10/57/349171057.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 2 1 240.395 0.092 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252773361 349213526 /nfs/dbraw/zinc/21/35/26/349213526.db2.gz JGYQQNHSPUJMFZ-AEJSXWLSSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252123949 349196717 /nfs/dbraw/zinc/19/67/17/349196717.db2.gz LEAFDMPDRAXVEF-BJDJZHNGSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@H](CNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000082924274 349249374 /nfs/dbraw/zinc/24/93/74/349249374.db2.gz VMWKFAXSSPBGPZ-SECBINFHSA-N 2 1 223.324 0.905 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000390431799 538036316 /nfs/dbraw/zinc/03/63/16/538036316.db2.gz PVZJELMVOLOODJ-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@H](C)C1 ZINC000530226750 323219569 /nfs/dbraw/zinc/21/95/69/323219569.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000530226750 323219571 /nfs/dbraw/zinc/21/95/71/323219571.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000530226750 323219574 /nfs/dbraw/zinc/21/95/74/323219574.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309121082 350036575 /nfs/dbraw/zinc/03/65/75/350036575.db2.gz UCJZRXIZEHGOLH-JFGNBEQYSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309121082 350036579 /nfs/dbraw/zinc/03/65/79/350036579.db2.gz UCJZRXIZEHGOLH-JFGNBEQYSA-N 2 1 212.337 0.687 20 0 BCADMP CC[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723020 538052106 /nfs/dbraw/zinc/05/21/06/538052106.db2.gz KBVOTZRKVWBDBI-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132421112 191032324 /nfs/dbraw/zinc/03/23/24/191032324.db2.gz ZSFLLMWVKGXAGJ-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132232010 191028155 /nfs/dbraw/zinc/02/81/55/191028155.db2.gz PCVICTWTULQXCN-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132232010 191028158 /nfs/dbraw/zinc/02/81/58/191028158.db2.gz PCVICTWTULQXCN-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000427305234 191058050 /nfs/dbraw/zinc/05/80/50/191058050.db2.gz RMYLVOTYJFWMSJ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236648025 191059884 /nfs/dbraw/zinc/05/98/84/191059884.db2.gz FNKZGGQGDWXPEG-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309209842 350191583 /nfs/dbraw/zinc/19/15/83/350191583.db2.gz DFCNWVWORTVYDM-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000316602183 350221775 /nfs/dbraw/zinc/22/17/75/350221775.db2.gz PKZQZMOMHHDODB-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000316602183 350221779 /nfs/dbraw/zinc/22/17/79/350221779.db2.gz PKZQZMOMHHDODB-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)C1([NH3+])CC1 ZINC000353645251 180235159 /nfs/dbraw/zinc/23/51/59/180235159.db2.gz VMWBQANHWOLYGV-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427592102 191083077 /nfs/dbraw/zinc/08/30/77/191083077.db2.gz OEWGEERCHIWCRA-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@H](C)[NH3+] ZINC000340235753 180236855 /nfs/dbraw/zinc/23/68/55/180236855.db2.gz JJSKTLMVTMLZON-JTQLQIEISA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)C[C@@H](C)[NH3+] ZINC000340183473 180237934 /nfs/dbraw/zinc/23/79/34/180237934.db2.gz DWIFJXKXCNZBKT-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261577298 180259452 /nfs/dbraw/zinc/25/94/52/180259452.db2.gz KYCROGUKZXZKPG-JTQLQIEISA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000299528078 180259592 /nfs/dbraw/zinc/25/95/92/180259592.db2.gz QFEZRDPJTRTRAE-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000299528078 180259594 /nfs/dbraw/zinc/25/95/94/180259594.db2.gz QFEZRDPJTRTRAE-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000261562954 180257674 /nfs/dbraw/zinc/25/76/74/180257674.db2.gz WTRLGYOTBXOOMU-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nn1 ZINC000337952994 180245148 /nfs/dbraw/zinc/24/51/48/180245148.db2.gz HVFWFIJZDZVGPE-UHFFFAOYSA-N 2 1 234.307 0.500 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000237521165 180264014 /nfs/dbraw/zinc/26/40/14/180264014.db2.gz RZPSLPCMFRTBPW-VIFPVBQESA-N 2 1 238.335 0.681 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000606371229 350318808 /nfs/dbraw/zinc/31/88/08/350318808.db2.gz BPRRITVDAPBXDN-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](CO)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120591519 490468274 /nfs/dbraw/zinc/46/82/74/490468274.db2.gz NGFAQHLDOPEXTM-ZDUSSCGKSA-N 2 1 243.395 0.184 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673701 350393857 /nfs/dbraw/zinc/39/38/57/350393857.db2.gz MBMQXMKFMLPORV-UWVGGRQHSA-N 2 1 245.392 0.277 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328406412 350399900 /nfs/dbraw/zinc/39/99/00/350399900.db2.gz TUUZGRWQOKKHET-QWRGUYRKSA-N 2 1 230.352 0.456 20 0 BCADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000111356264 180338238 /nfs/dbraw/zinc/33/82/38/180338238.db2.gz ZWDAIPKWYFVAEJ-TXEJJXNPSA-N 2 1 234.347 0.688 20 0 BCADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000111356264 180338240 /nfs/dbraw/zinc/33/82/40/180338240.db2.gz ZWDAIPKWYFVAEJ-TXEJJXNPSA-N 2 1 234.347 0.688 20 0 BCADMP C[C@@H](CCCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309480466 350565122 /nfs/dbraw/zinc/56/51/22/350565122.db2.gz VVLYWHWSRUCZHI-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H](CCCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309480466 350565126 /nfs/dbraw/zinc/56/51/26/350565126.db2.gz VVLYWHWSRUCZHI-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP C[NH+](C)C1(C[NH2+]CCC(N)=O)CCCCC1 ZINC000309501438 350615711 /nfs/dbraw/zinc/61/57/11/350615711.db2.gz ZVAIYZWCFLEBCJ-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000393776559 490689544 /nfs/dbraw/zinc/68/95/44/490689544.db2.gz YGMGWICYUNKRQU-QWRGUYRKSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1(C)C ZINC000623559618 362982032 /nfs/dbraw/zinc/98/20/32/362982032.db2.gz ICWCUAFMMUZGLR-GARJFASQSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831232 /nfs/dbraw/zinc/83/12/32/350831232.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 2 1 226.364 0.887 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831235 /nfs/dbraw/zinc/83/12/35/350831235.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 2 1 226.364 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831237 /nfs/dbraw/zinc/83/12/37/350831237.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 2 1 226.364 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831240 /nfs/dbraw/zinc/83/12/40/350831240.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 2 1 226.364 0.887 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402551 350974519 /nfs/dbraw/zinc/97/45/19/350974519.db2.gz RFRSUKMKCCNZCR-SDDRHHMPSA-N 2 1 239.363 0.809 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000088050924 351539206 /nfs/dbraw/zinc/53/92/06/351539206.db2.gz DTDHXXZUYWNARD-VIFPVBQESA-N 2 1 223.320 0.221 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000637800713 351636209 /nfs/dbraw/zinc/63/62/09/351636209.db2.gz HFADTIHPOWDOMN-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH3+])CC[N@H+]1C ZINC000637803060 351638829 /nfs/dbraw/zinc/63/88/29/351638829.db2.gz WMVHSDHMMZPYIZ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637809713 351646040 /nfs/dbraw/zinc/64/60/40/351646040.db2.gz XECLARDQYGKPNK-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000637810973 351652339 /nfs/dbraw/zinc/65/23/39/351652339.db2.gz MEWOOCGUFGQPSR-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811712 351653225 /nfs/dbraw/zinc/65/32/25/351653225.db2.gz MMNXXGVIZGQQHH-SNVBAGLBSA-N 2 1 236.319 0.485 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637796979 351623750 /nfs/dbraw/zinc/62/37/50/351623750.db2.gz FVDZKIPLKWPCBY-ZDUSSCGKSA-N 2 1 247.342 0.583 20 0 BCADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637797116 351624144 /nfs/dbraw/zinc/62/41/44/351624144.db2.gz JUROTPGFVZDDED-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH2+]CC2)C1 ZINC000637798716 351627185 /nfs/dbraw/zinc/62/71/85/351627185.db2.gz PMYKMXZSNSIQGH-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000637798708 351627565 /nfs/dbraw/zinc/62/75/65/351627565.db2.gz PIAFUHQGIGTYMG-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP C[N@@H+](CC(=O)N1CCC([NH3+])CC1)CC(C)(C)C ZINC000637797428 351629906 /nfs/dbraw/zinc/62/99/06/351629906.db2.gz BBWOIFOEGCFLLR-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000637801408 351631896 /nfs/dbraw/zinc/63/18/96/351631896.db2.gz JWEFAZPZMAACBI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000637837672 351692189 /nfs/dbraw/zinc/69/21/89/351692189.db2.gz KOGISZQQLDCYDP-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000637840307 351695653 /nfs/dbraw/zinc/69/56/53/351695653.db2.gz GKEFTXYDOLHUFW-GXFFZTMASA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000637842140 351699140 /nfs/dbraw/zinc/69/91/40/351699140.db2.gz YFOHWFMCCHFKHO-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844195 351700072 /nfs/dbraw/zinc/70/00/72/351700072.db2.gz LBBOOWMXKPJLGF-NSHDSACASA-N 2 1 238.335 0.681 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637843916 351703298 /nfs/dbraw/zinc/70/32/98/351703298.db2.gz CEIBKUDXZBETIT-ONGXEEELSA-N 2 1 236.319 0.387 20 0 BCADMP C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000637824523 351664634 /nfs/dbraw/zinc/66/46/34/351664634.db2.gz PFYRKEKACAJXEY-UHFFFAOYSA-N 2 1 224.308 0.342 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C)CC[N@H+]1C ZINC000637825108 351665011 /nfs/dbraw/zinc/66/50/11/351665011.db2.gz VNUHNAHLDFZTHU-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000637825341 351666064 /nfs/dbraw/zinc/66/60/64/351666064.db2.gz VCINUKGHCANGBA-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000637825348 351666128 /nfs/dbraw/zinc/66/61/28/351666128.db2.gz VCINUKGHCANGBA-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH3+])C1)CC(C)(C)C ZINC000637822330 351666692 /nfs/dbraw/zinc/66/66/92/351666692.db2.gz JUOJPRLKISPTAN-LLVKDONJSA-N 2 1 241.379 0.772 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]C2CC2)C1 ZINC000637827439 351669609 /nfs/dbraw/zinc/66/96/09/351669609.db2.gz HGIPTFSYWXLUSZ-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000637827507 351669699 /nfs/dbraw/zinc/66/96/99/351669699.db2.gz SBAYANUONUCDMW-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827481 351669981 /nfs/dbraw/zinc/66/99/81/351669981.db2.gz RPLZQOIMLBCRQS-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC000637862202 351723207 /nfs/dbraw/zinc/72/32/07/351723207.db2.gz MAKZGRUUKASARO-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(CC)CC[NH3+] ZINC000626991162 363096575 /nfs/dbraw/zinc/09/65/75/363096575.db2.gz CAQJTBVJGGVWLW-UHFFFAOYSA-N 2 1 244.383 0.709 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049844 351927589 /nfs/dbraw/zinc/92/75/89/351927589.db2.gz OZHWCLXCMMLBGU-VXGBXAGGSA-N 2 1 237.347 0.634 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000638068042 351937695 /nfs/dbraw/zinc/93/76/95/351937695.db2.gz ALQOGZUEHHGHME-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638072583 351942688 /nfs/dbraw/zinc/94/26/88/351942688.db2.gz OWCMZFUGVGOSHG-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638071652 351943599 /nfs/dbraw/zinc/94/35/99/351943599.db2.gz HAVPFXRCZISNTB-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638071505 351943827 /nfs/dbraw/zinc/94/38/27/351943827.db2.gz FXDNITDMKBGWHW-JHJVBQTASA-N 2 1 249.358 0.777 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000638072750 351945231 /nfs/dbraw/zinc/94/52/31/351945231.db2.gz VIXXCRSHQTXGRM-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638075242 351946838 /nfs/dbraw/zinc/94/68/38/351946838.db2.gz DAMYKDZEXGMUMD-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076334 351949762 /nfs/dbraw/zinc/94/97/62/351949762.db2.gz KKWDNYZVQARALJ-WDEREUQCSA-N 2 1 223.320 0.244 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077838 351951119 /nfs/dbraw/zinc/95/11/19/351951119.db2.gz BHBRBMHFGPZHKT-MNOVXSKESA-N 2 1 223.320 0.244 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079311 351954454 /nfs/dbraw/zinc/95/44/54/351954454.db2.gz RWHOCNPNNKGSJW-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638082000 351955595 /nfs/dbraw/zinc/95/55/95/351955595.db2.gz RPUDUBBZLCHYJQ-MNOVXSKESA-N 2 1 235.331 0.387 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000638085114 351961007 /nfs/dbraw/zinc/96/10/07/351961007.db2.gz JNRPILGNRRUERK-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086692 351963985 /nfs/dbraw/zinc/96/39/85/351963985.db2.gz UMSZVIQSYHQWDI-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091088 351967639 /nfs/dbraw/zinc/96/76/39/351967639.db2.gz PNSDPCZBPVLAJP-LBPRGKRZSA-N 2 1 239.363 0.882 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000638090294 351968583 /nfs/dbraw/zinc/96/85/83/351968583.db2.gz HRUPXHGJMYYJBZ-SECBINFHSA-N 2 1 224.308 0.306 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000638096959 351976662 /nfs/dbraw/zinc/97/66/62/351976662.db2.gz ONMBQBOCBRPXGD-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638100611 351980686 /nfs/dbraw/zinc/98/06/86/351980686.db2.gz LNQBVLCPCHTVNF-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000638115207 351990506 /nfs/dbraw/zinc/99/05/06/351990506.db2.gz BOWVHQRJZCAEAU-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CCC1C[NH2+]C1 ZINC000638126995 351998123 /nfs/dbraw/zinc/99/81/23/351998123.db2.gz DZMQYNFBOPUERC-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH2+]CC ZINC000638127750 351999126 /nfs/dbraw/zinc/99/91/26/351999126.db2.gz LLYWPQXSGACPNU-LLVKDONJSA-N 2 1 229.368 0.833 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638127661 351999159 /nfs/dbraw/zinc/99/91/59/351999159.db2.gz XEVBAFJIMOLIGD-JQWIXIFHSA-N 2 1 237.347 0.492 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000638133518 352000702 /nfs/dbraw/zinc/00/07/02/352000702.db2.gz IIGXRRQEFNXQPG-UMNHJUIQSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134478 352002661 /nfs/dbraw/zinc/00/26/61/352002661.db2.gz NODKZHRWUAEHRF-XWIASGKRSA-N 2 1 249.358 0.633 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000638136337 352003037 /nfs/dbraw/zinc/00/30/37/352003037.db2.gz YDEJZEDFWCVKEW-MXWKQRLJSA-N 2 1 239.363 0.726 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138372 352004033 /nfs/dbraw/zinc/00/40/33/352004033.db2.gz DPIAJRCFMHNTDX-LBPRGKRZSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638197108 352059251 /nfs/dbraw/zinc/05/92/51/352059251.db2.gz FULNKBPIXNZIAA-GHMZBOCLSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC(C)([NH3+])CC1 ZINC000638196037 352060077 /nfs/dbraw/zinc/06/00/77/352060077.db2.gz OBTQSIPVSWPYIK-UHFFFAOYSA-N 2 1 236.319 0.531 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638200118 352060656 /nfs/dbraw/zinc/06/06/56/352060656.db2.gz ONZMFAQDVNMUSH-UTUOFQBUSA-N 2 1 239.363 0.857 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638200295 352060881 /nfs/dbraw/zinc/06/08/81/352060881.db2.gz HNYSYRNWSQDAFF-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638198662 352061489 /nfs/dbraw/zinc/06/14/89/352061489.db2.gz KZAFZQXTMCQSIA-NEPJUHHUSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC1(C)CC[NH2+]CC1 ZINC000638207533 352067610 /nfs/dbraw/zinc/06/76/10/352067610.db2.gz ZFQXLOGRRSXIRP-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000638205609 352068094 /nfs/dbraw/zinc/06/80/94/352068094.db2.gz IXJBVDOMSMTAMK-UWVGGRQHSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000638209737 352072095 /nfs/dbraw/zinc/07/20/95/352072095.db2.gz FLJUBMATIJXXNH-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH2+]C2)CC[N@H+]1C ZINC000638154730 352015167 /nfs/dbraw/zinc/01/51/67/352015167.db2.gz UEIORDQKOWRHRQ-WDEREUQCSA-N 2 1 225.336 0.052 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCC1C[NH2+]C1 ZINC000638155722 352018337 /nfs/dbraw/zinc/01/83/37/352018337.db2.gz YCAYVOQVOQSBPS-UHFFFAOYSA-N 2 1 236.319 0.342 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000638156085 352019250 /nfs/dbraw/zinc/01/92/50/352019250.db2.gz GOHGKGLNSHZNRM-ZJUUUORDSA-N 2 1 236.319 0.400 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638156663 352019797 /nfs/dbraw/zinc/01/97/97/352019797.db2.gz OUUYBIQVNQPLGU-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638286879 352122958 /nfs/dbraw/zinc/12/29/58/352122958.db2.gz RULUXXFDWGXKPQ-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000638287975 352124478 /nfs/dbraw/zinc/12/44/78/352124478.db2.gz YOFFKZQAVDHQRA-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638303402 352133173 /nfs/dbraw/zinc/13/31/73/352133173.db2.gz FLRTYHOAKPMOQU-NSHDSACASA-N 2 1 237.347 0.587 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638221169 352080172 /nfs/dbraw/zinc/08/01/72/352080172.db2.gz UZQANVMBXGCBNY-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638220815 352080347 /nfs/dbraw/zinc/08/03/47/352080347.db2.gz SNXGHJBUSXPCAE-LBPRGKRZSA-N 2 1 236.319 0.389 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638235829 352087049 /nfs/dbraw/zinc/08/70/49/352087049.db2.gz QYEOSSGOGXOAPO-UWVGGRQHSA-N 2 1 222.292 0.140 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638245622 352092741 /nfs/dbraw/zinc/09/27/41/352092741.db2.gz WLMVWBMVURAXBF-LLVKDONJSA-N 2 1 248.330 0.450 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638246472 352092763 /nfs/dbraw/zinc/09/27/63/352092763.db2.gz JJXXUJLIRINKGT-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCC[NH3+] ZINC000638252318 352096002 /nfs/dbraw/zinc/09/60/02/352096002.db2.gz RRIMEKNBZPBGRX-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638253580 352096503 /nfs/dbraw/zinc/09/65/03/352096503.db2.gz BMEVHWXHTKNSMX-SFYZADRCSA-N 2 1 210.281 0.043 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638257143 352100541 /nfs/dbraw/zinc/10/05/41/352100541.db2.gz VWPBNRIVSUTQDB-QMMMGPOBSA-N 2 1 246.261 0.290 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638257351 352100695 /nfs/dbraw/zinc/10/06/95/352100695.db2.gz VDACOPLLZNTEQE-NXEZZACHSA-N 2 1 238.335 0.858 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638257142 352100822 /nfs/dbraw/zinc/10/08/22/352100822.db2.gz VWPBNRIVSUTQDB-MRVPVSSYSA-N 2 1 246.261 0.290 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)Cn1c[nH+]cc1C ZINC000638259602 352101913 /nfs/dbraw/zinc/10/19/13/352101913.db2.gz RXUIBDXCYAOTPK-SECBINFHSA-N 2 1 210.281 0.045 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270286 352107241 /nfs/dbraw/zinc/10/72/41/352107241.db2.gz GCSFQRJHHDTGLR-SNVBAGLBSA-N 2 1 236.319 0.448 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270607 352108771 /nfs/dbraw/zinc/10/87/71/352108771.db2.gz JHPGDLWQXYQGLY-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638269347 352108789 /nfs/dbraw/zinc/10/87/89/352108789.db2.gz ZHXGHPQAUYVNCH-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000638270861 352109565 /nfs/dbraw/zinc/10/95/65/352109565.db2.gz NKZKIQVMRUMPIY-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CC1 ZINC000638332047 352153766 /nfs/dbraw/zinc/15/37/66/352153766.db2.gz LZXSHYCPVLRKQA-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C)CC[N@H+]1C ZINC000638343246 352162349 /nfs/dbraw/zinc/16/23/49/352162349.db2.gz IVWZRWURKKUXHV-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000638355964 352168388 /nfs/dbraw/zinc/16/83/88/352168388.db2.gz UEQCPHADVCDWRZ-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[N@H+]1C ZINC000638370391 352180198 /nfs/dbraw/zinc/18/01/98/352180198.db2.gz LYDQJCGFYGEURN-FIQHERPVSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638370976 352184466 /nfs/dbraw/zinc/18/44/66/352184466.db2.gz OEHBMCBNBWVNBC-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381360 352193036 /nfs/dbraw/zinc/19/30/36/352193036.db2.gz KWPVDBAMIUAMSU-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638399028 352205749 /nfs/dbraw/zinc/20/57/49/352205749.db2.gz XRCZZOJPDQRYEF-GXSJLCMTSA-N 2 1 236.319 0.530 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000638440186 352249932 /nfs/dbraw/zinc/24/99/32/352249932.db2.gz MXUXVGMXDVMGSM-DMDPSCGWSA-N 2 1 239.363 0.585 20 0 BCADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CSC[NH2+]1 ZINC000638495642 352315284 /nfs/dbraw/zinc/31/52/84/352315284.db2.gz LIAQQORDXTVJSE-IUCAKERBSA-N 2 1 241.360 0.050 20 0 BCADMP CCN(CC[NH3+])C(=O)Cn1cc[nH+]c1C(C)C ZINC000638511872 352335568 /nfs/dbraw/zinc/33/55/68/352335568.db2.gz BVQXIJOZWPZDRB-UHFFFAOYSA-N 2 1 238.335 0.814 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000638528505 352361820 /nfs/dbraw/zinc/36/18/20/352361820.db2.gz KCBGKNDBRBCNHM-IJLUTSLNSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638528302 352362981 /nfs/dbraw/zinc/36/29/81/352362981.db2.gz DWKWFORBWOYJLU-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2CCO[C@H]2C)CCC[NH2+]1 ZINC000414944660 352367232 /nfs/dbraw/zinc/36/72/32/352367232.db2.gz OHGXEZGPNRJSJR-QJPTWQEYSA-N 2 1 228.336 0.522 20 0 BCADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414957911 352378653 /nfs/dbraw/zinc/37/86/53/352378653.db2.gz CDCHIDAVXSRUFW-VXGBXAGGSA-N 3 1 211.353 0.860 20 0 BCADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414957908 352378753 /nfs/dbraw/zinc/37/87/53/352378753.db2.gz CDCHIDAVXSRUFW-NWDGAFQWSA-N 3 1 211.353 0.860 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638639705 352481773 /nfs/dbraw/zinc/48/17/73/352481773.db2.gz MTSPKMHUPPQDGE-MWLCHTKSSA-N 2 1 236.319 0.448 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388767068 352555786 /nfs/dbraw/zinc/55/57/86/352555786.db2.gz SZOBYYBGDHKPFJ-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638727834 352586261 /nfs/dbraw/zinc/58/62/61/352586261.db2.gz MIXXRJFRFQAWAM-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+]1CCC(CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000044526617 352654447 /nfs/dbraw/zinc/65/44/47/352654447.db2.gz KMYNXZHBUHPPEP-JTQLQIEISA-N 2 1 243.376 0.107 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531431 352654610 /nfs/dbraw/zinc/65/46/10/352654610.db2.gz KDUOHLRORJAKJP-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531431 352654614 /nfs/dbraw/zinc/65/46/14/352654614.db2.gz KDUOHLRORJAKJP-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CC[NH+]1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000044753050 352656232 /nfs/dbraw/zinc/65/62/32/352656232.db2.gz ZOYBJWZPNNUXPG-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000044798767 352657353 /nfs/dbraw/zinc/65/73/53/352657353.db2.gz DZMIJOSCNOMNSX-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122300325 352662714 /nfs/dbraw/zinc/66/27/14/352662714.db2.gz URUMEQSODDSXCU-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122300325 352662715 /nfs/dbraw/zinc/66/27/15/352662715.db2.gz URUMEQSODDSXCU-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122300131 352663293 /nfs/dbraw/zinc/66/32/93/352663293.db2.gz URUMEQSODDSXCU-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122300131 352663296 /nfs/dbraw/zinc/66/32/96/352663296.db2.gz URUMEQSODDSXCU-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1csc(C[NH3+])n1 ZINC000638773634 352713456 /nfs/dbraw/zinc/71/34/56/352713456.db2.gz OCYGMVMWBHJMKW-NKWVEPMBSA-N 2 1 240.332 0.082 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000020264484 352678982 /nfs/dbraw/zinc/67/89/82/352678982.db2.gz SHVRJXKGRCICQX-GFCCVEGCSA-N 2 1 208.305 0.746 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000334221152 352824790 /nfs/dbraw/zinc/82/47/90/352824790.db2.gz WKJNROUNVWTACV-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000334221152 352824793 /nfs/dbraw/zinc/82/47/93/352824793.db2.gz WKJNROUNVWTACV-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000334221152 352824796 /nfs/dbraw/zinc/82/47/96/352824796.db2.gz WKJNROUNVWTACV-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP CO[C@@]1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCOC1 ZINC000638838535 353023323 /nfs/dbraw/zinc/02/33/23/353023323.db2.gz LCXOIITYJMCSRK-CYBMUJFWSA-N 2 1 240.347 0.643 20 0 BCADMP CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000334392626 353064717 /nfs/dbraw/zinc/06/47/17/353064717.db2.gz XXUBADMKLKYLIP-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1(C)C ZINC000334392626 353064720 /nfs/dbraw/zinc/06/47/20/353064720.db2.gz XXUBADMKLKYLIP-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1(C)C ZINC000334392626 353064723 /nfs/dbraw/zinc/06/47/23/353064723.db2.gz XXUBADMKLKYLIP-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000334392626 353064728 /nfs/dbraw/zinc/06/47/28/353064728.db2.gz XXUBADMKLKYLIP-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP CCCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000032021526 353042888 /nfs/dbraw/zinc/04/28/88/353042888.db2.gz QAIJOLKECKVNGN-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577853825 366085693 /nfs/dbraw/zinc/08/56/93/366085693.db2.gz VPCYDFLXVVGOSJ-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926639 353087273 /nfs/dbraw/zinc/08/72/73/353087273.db2.gz JNQQAWGPQRJEDZ-LMLFDSFASA-N 2 1 246.314 0.476 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638934488 353098055 /nfs/dbraw/zinc/09/80/55/353098055.db2.gz IKKFLOAIISIXFJ-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000638929103 353098897 /nfs/dbraw/zinc/09/88/97/353098897.db2.gz NQPYCKCNBDYROQ-LNFKQOIKSA-N 2 1 225.336 0.275 20 0 BCADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336644885 188010786 /nfs/dbraw/zinc/01/07/86/188010786.db2.gz AUXOINLHSQEBFO-GHMZBOCLSA-N 2 1 202.342 0.920 20 0 BCADMP CCCCOCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000336653744 188011787 /nfs/dbraw/zinc/01/17/87/188011787.db2.gz MAYBUSZDTJKVEP-SNVBAGLBSA-N 2 1 204.314 0.055 20 0 BCADMP CCCCOCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336653744 188011789 /nfs/dbraw/zinc/01/17/89/188011789.db2.gz MAYBUSZDTJKVEP-SNVBAGLBSA-N 2 1 204.314 0.055 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000341009951 188043657 /nfs/dbraw/zinc/04/36/57/188043657.db2.gz DOQBYQURCGOPEZ-LLVKDONJSA-N 2 1 239.363 0.680 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643490 358474964 /nfs/dbraw/zinc/47/49/64/358474964.db2.gz WDTGCNHBASYULQ-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557227 188049760 /nfs/dbraw/zinc/04/97/60/188049760.db2.gz AIMAZAYDEZTSIA-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000126031548 353221011 /nfs/dbraw/zinc/22/10/11/353221011.db2.gz VPQTZPDFHFVTPX-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121294382 324009037 /nfs/dbraw/zinc/00/90/37/324009037.db2.gz CMVPRRTWRBAYOT-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121294382 324009039 /nfs/dbraw/zinc/00/90/39/324009039.db2.gz CMVPRRTWRBAYOT-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000250234552 353269815 /nfs/dbraw/zinc/26/98/15/353269815.db2.gz HBXIQPSTUIZWQX-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204594 353269869 /nfs/dbraw/zinc/26/98/69/353269869.db2.gz BUONTMXCURYTAB-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000251728198 353287885 /nfs/dbraw/zinc/28/78/85/353287885.db2.gz CGQGCZVXCRJMTL-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000121974787 188250123 /nfs/dbraw/zinc/25/01/23/188250123.db2.gz QHNQAGVUQHROHU-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000378204994 188251858 /nfs/dbraw/zinc/25/18/58/188251858.db2.gz XIMOXKDZJLRSKC-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251834213 353292728 /nfs/dbraw/zinc/29/27/28/353292728.db2.gz NQBDEPUFWOLEAX-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251944269 353293949 /nfs/dbraw/zinc/29/39/49/353293949.db2.gz ZVOCTAMAILZKJN-UWVGGRQHSA-N 2 1 223.320 0.173 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251944272 353294008 /nfs/dbraw/zinc/29/40/08/353294008.db2.gz ZVOCTAMAILZKJN-ZJUUUORDSA-N 2 1 223.320 0.173 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726755 188258373 /nfs/dbraw/zinc/25/83/73/188258373.db2.gz XIXZOYXWRJCXHL-JQWIXIFHSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000252440145 353299895 /nfs/dbraw/zinc/29/98/95/353299895.db2.gz XNDBNJDIBYVZHK-QJPTWQEYSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673668 188292643 /nfs/dbraw/zinc/29/26/43/188292643.db2.gz ASYUBAGSSHUXMH-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639033336 353304705 /nfs/dbraw/zinc/30/47/05/353304705.db2.gz LKGSBWUDJPBSSM-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710520 353336131 /nfs/dbraw/zinc/33/61/31/353336131.db2.gz ZDBBOQGQOSPDMQ-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049236 353343453 /nfs/dbraw/zinc/34/34/53/353343453.db2.gz LJISYSXSXFRGJV-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049236 353343456 /nfs/dbraw/zinc/34/34/56/353343456.db2.gz LJISYSXSXFRGJV-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049235 353343540 /nfs/dbraw/zinc/34/35/40/353343540.db2.gz LJISYSXSXFRGJV-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049235 353343542 /nfs/dbraw/zinc/34/35/42/353343542.db2.gz LJISYSXSXFRGJV-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310120319 188348120 /nfs/dbraw/zinc/34/81/20/188348120.db2.gz DLSKYBWBKXYZQF-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310120319 188348122 /nfs/dbraw/zinc/34/81/22/188348122.db2.gz DLSKYBWBKXYZQF-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364991148 188354077 /nfs/dbraw/zinc/35/40/77/188354077.db2.gz YFSZXVXATLVWDQ-SRVKXCTJSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@@H+]1CC[C@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334509376 353411725 /nfs/dbraw/zinc/41/17/25/353411725.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334509376 353411726 /nfs/dbraw/zinc/41/17/26/353411726.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334509376 353411729 /nfs/dbraw/zinc/41/17/29/353411729.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334509376 353411732 /nfs/dbraw/zinc/41/17/32/353411732.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467836 188397062 /nfs/dbraw/zinc/39/70/62/188397062.db2.gz UENIESDXHFWBSB-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000343301767 353467304 /nfs/dbraw/zinc/46/73/04/353467304.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000343301767 353467307 /nfs/dbraw/zinc/46/73/07/353467307.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000343301767 353467311 /nfs/dbraw/zinc/46/73/11/353467311.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192098263 353542168 /nfs/dbraw/zinc/54/21/68/353542168.db2.gz UFTBTDXPTRRSOQ-SDDRHHMPSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000193309884 353590902 /nfs/dbraw/zinc/59/09/02/353590902.db2.gz NKQBHHFIDNAJBQ-ZJUUUORDSA-N 2 1 227.352 0.713 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827036 358479256 /nfs/dbraw/zinc/47/92/56/358479256.db2.gz QKSLBPRASHNCQL-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000231786588 353655277 /nfs/dbraw/zinc/65/52/77/353655277.db2.gz DOHPQRTUZYBHEC-DGCLKSJQSA-N 2 1 239.363 0.729 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000639112020 353704028 /nfs/dbraw/zinc/70/40/28/353704028.db2.gz MFQIBSCRDUMDAL-SRVKXCTJSA-N 2 1 241.379 0.829 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000639112020 353704031 /nfs/dbraw/zinc/70/40/31/353704031.db2.gz MFQIBSCRDUMDAL-SRVKXCTJSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000195161369 353730346 /nfs/dbraw/zinc/73/03/46/353730346.db2.gz LKXQVZZCFGWZCB-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000308980296 353774111 /nfs/dbraw/zinc/77/41/11/353774111.db2.gz DQACBLXUKGZRRT-MNOVXSKESA-N 2 1 218.341 0.266 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000308980297 353774137 /nfs/dbraw/zinc/77/41/37/353774137.db2.gz DQACBLXUKGZRRT-QWRGUYRKSA-N 2 1 218.341 0.266 20 0 BCADMP CC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000343331863 353744898 /nfs/dbraw/zinc/74/48/98/353744898.db2.gz FTLQRUWYIWZYAS-LBPRGKRZSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000334522120 353888607 /nfs/dbraw/zinc/88/86/07/353888607.db2.gz ZGCYTQLHFDELRU-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343488568 353907941 /nfs/dbraw/zinc/90/79/41/353907941.db2.gz YQNFBNKGAFLXSU-VIFPVBQESA-N 2 1 249.305 0.347 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000343844063 354019841 /nfs/dbraw/zinc/01/98/41/354019841.db2.gz DHPSJLFNNWMIQB-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000343835184 354034782 /nfs/dbraw/zinc/03/47/82/354034782.db2.gz TYXBIPSNKYVBEH-KOLCDFICSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000343835184 354034785 /nfs/dbraw/zinc/03/47/85/354034785.db2.gz TYXBIPSNKYVBEH-KOLCDFICSA-N 2 1 225.336 0.147 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449702299 202005397 /nfs/dbraw/zinc/00/53/97/202005397.db2.gz DMCSCSSNKXSNSM-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000334615525 354301513 /nfs/dbraw/zinc/30/15/13/354301513.db2.gz KHLKOOGNCZCFLW-SECBINFHSA-N 3 1 233.306 0.573 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CCNCC2(F)F)CC1 ZINC000334615716 354302354 /nfs/dbraw/zinc/30/23/54/354302354.db2.gz MSMHIJXEFHQMPG-SNVBAGLBSA-N 2 1 247.333 0.915 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000578070832 366218920 /nfs/dbraw/zinc/21/89/20/366218920.db2.gz MJWDEWKAMPDUIE-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000578070832 366218925 /nfs/dbraw/zinc/21/89/25/366218925.db2.gz MJWDEWKAMPDUIE-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335109627 354695696 /nfs/dbraw/zinc/69/56/96/354695696.db2.gz BJQBIFFLQXINNJ-IUCAKERBSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000346657049 355004684 /nfs/dbraw/zinc/00/46/84/355004684.db2.gz SWWUXSIGTQZHCS-WDEREUQCSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000346657049 355004687 /nfs/dbraw/zinc/00/46/87/355004687.db2.gz SWWUXSIGTQZHCS-WDEREUQCSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685154 355011980 /nfs/dbraw/zinc/01/19/80/355011980.db2.gz QGOZDIBHBDZAHJ-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685154 355011984 /nfs/dbraw/zinc/01/19/84/355011984.db2.gz QGOZDIBHBDZAHJ-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639317 355015554 /nfs/dbraw/zinc/01/55/54/355015554.db2.gz JWZMVFGSYZHFGH-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639317 355015556 /nfs/dbraw/zinc/01/55/56/355015556.db2.gz JWZMVFGSYZHFGH-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693023 355076342 /nfs/dbraw/zinc/07/63/42/355076342.db2.gz KJPMDRYGEWXMFM-PWSUYJOCSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693023 355076346 /nfs/dbraw/zinc/07/63/46/355076346.db2.gz KJPMDRYGEWXMFM-PWSUYJOCSA-N 2 1 249.362 0.712 20 0 BCADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000335186436 355084532 /nfs/dbraw/zinc/08/45/32/355084532.db2.gz ZHWILIZYODGHEC-GHMZBOCLSA-N 2 1 223.320 0.043 20 0 BCADMP COC(=O)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346827236 355127414 /nfs/dbraw/zinc/12/74/14/355127414.db2.gz HXWKVMWNSYYXGH-UHFFFAOYSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833696 355130555 /nfs/dbraw/zinc/13/05/55/355130555.db2.gz MJUZGSSONGIJTC-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833696 355130558 /nfs/dbraw/zinc/13/05/58/355130558.db2.gz MJUZGSSONGIJTC-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346835822 355131445 /nfs/dbraw/zinc/13/14/45/355131445.db2.gz OENFHLQAOLKLIA-NEPJUHHUSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971116 355207487 /nfs/dbraw/zinc/20/74/87/355207487.db2.gz KMIUFNPIPYKPTI-AAEUAGOBSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971117 355207594 /nfs/dbraw/zinc/20/75/94/355207594.db2.gz KMIUFNPIPYKPTI-DGCLKSJQSA-N 2 1 240.347 0.871 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000346966120 355173363 /nfs/dbraw/zinc/17/33/63/355173363.db2.gz DFNNYBYBTJLFTM-NSHDSACASA-N 2 1 237.351 0.727 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000346966120 355173367 /nfs/dbraw/zinc/17/33/67/355173367.db2.gz DFNNYBYBTJLFTM-NSHDSACASA-N 2 1 237.351 0.727 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335258163 355195922 /nfs/dbraw/zinc/19/59/22/355195922.db2.gz SRZOLVFCBDBXHU-PHIMTYICSA-N 3 1 211.353 0.655 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335258163 355195925 /nfs/dbraw/zinc/19/59/25/355195925.db2.gz SRZOLVFCBDBXHU-PHIMTYICSA-N 3 1 211.353 0.655 20 0 BCADMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512342 355248455 /nfs/dbraw/zinc/24/84/55/355248455.db2.gz HRDOBUXIRUCKIB-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516237 355234048 /nfs/dbraw/zinc/23/40/48/355234048.db2.gz LSHJEPWZEVYLHD-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000347611545 355234756 /nfs/dbraw/zinc/23/47/56/355234756.db2.gz PRKHKORBSJOKIM-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC000347611545 355234759 /nfs/dbraw/zinc/23/47/59/355234759.db2.gz PRKHKORBSJOKIM-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC000347611545 355234760 /nfs/dbraw/zinc/23/47/60/355234760.db2.gz PRKHKORBSJOKIM-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335288093 355258363 /nfs/dbraw/zinc/25/83/63/355258363.db2.gz LAGCQBROKFVYKJ-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)CC[N@H+]1C ZINC000639259624 355309899 /nfs/dbraw/zinc/30/98/99/355309899.db2.gz BTANNCDYEMHTRC-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000583502553 355331829 /nfs/dbraw/zinc/33/18/29/355331829.db2.gz UXETWNLHXNSOAJ-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000583508496 355346113 /nfs/dbraw/zinc/34/61/13/355346113.db2.gz LYCIHKYQRDOVID-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000583508496 355346116 /nfs/dbraw/zinc/34/61/16/355346116.db2.gz LYCIHKYQRDOVID-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](COC)C(C)C ZINC000380972273 355659642 /nfs/dbraw/zinc/65/96/42/355659642.db2.gz ATPJGMXCCCHBCY-NEPJUHHUSA-N 2 1 232.368 0.560 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](COC)C(C)C ZINC000380972273 355659645 /nfs/dbraw/zinc/65/96/45/355659645.db2.gz ATPJGMXCCCHBCY-NEPJUHHUSA-N 2 1 232.368 0.560 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000417886837 355632136 /nfs/dbraw/zinc/63/21/36/355632136.db2.gz ZGUDSWHAQZDEOW-QXEWZRGKSA-N 2 1 240.351 0.116 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000336005306 134048897 /nfs/dbraw/zinc/04/88/97/134048897.db2.gz OWNLYDIOYYJQTA-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417284978 191784954 /nfs/dbraw/zinc/78/49/54/191784954.db2.gz KUNOOZNLAPPUAP-MNOVXSKESA-N 2 1 242.367 0.363 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146679 355769064 /nfs/dbraw/zinc/76/90/64/355769064.db2.gz FABGSVIRLACLBH-JTQLQIEISA-N 2 1 225.336 0.054 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417449553 191844955 /nfs/dbraw/zinc/84/49/55/191844955.db2.gz YCIVKVGEPPCEAZ-DCAQKATOSA-N 2 1 244.383 0.752 20 0 BCADMP OCC[NH+](CCO)C1CC[NH+](CC2CC2)CC1 ZINC000628369818 355878266 /nfs/dbraw/zinc/87/82/66/355878266.db2.gz CLFJMYHEORHKDC-UHFFFAOYSA-N 2 1 242.363 0.147 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000167207790 355977040 /nfs/dbraw/zinc/97/70/40/355977040.db2.gz VLKAKVDPHBDXEF-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167198565 355968740 /nfs/dbraw/zinc/96/87/40/355968740.db2.gz UOOUDDNTGMASSD-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCN(C[C@@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352115429 134071638 /nfs/dbraw/zinc/07/16/38/134071638.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C[C@@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352115429 134071639 /nfs/dbraw/zinc/07/16/39/134071639.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C[C@@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352115429 134071640 /nfs/dbraw/zinc/07/16/40/134071640.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352115429 134071641 /nfs/dbraw/zinc/07/16/41/134071641.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352115429 134071642 /nfs/dbraw/zinc/07/16/42/134071642.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352115429 134071643 /nfs/dbraw/zinc/07/16/43/134071643.db2.gz LDZJDWXIBZIVEJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000617551739 356108231 /nfs/dbraw/zinc/10/82/31/356108231.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617551739 356108234 /nfs/dbraw/zinc/10/82/34/356108234.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617551739 356108238 /nfs/dbraw/zinc/10/82/38/356108238.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351745963 356079420 /nfs/dbraw/zinc/07/94/20/356079420.db2.gz DESLHMPHWOMHPE-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C ZINC000236825645 363459242 /nfs/dbraw/zinc/45/92/42/363459242.db2.gz OQJPNVZWFPXKID-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860645 356098385 /nfs/dbraw/zinc/09/83/85/356098385.db2.gz HBBCDBIODCHELA-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860645 356098389 /nfs/dbraw/zinc/09/83/89/356098389.db2.gz HBBCDBIODCHELA-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000351861581 356099790 /nfs/dbraw/zinc/09/97/90/356099790.db2.gz KSPBIAGIJBQJNN-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH3+] ZINC000418306685 192020850 /nfs/dbraw/zinc/02/08/50/192020850.db2.gz BQDLDJUBIPACOA-NSHDSACASA-N 2 1 242.367 0.318 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH3+] ZINC000418291515 192016801 /nfs/dbraw/zinc/01/68/01/192016801.db2.gz AAOKAJZMCPHPAX-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000331922742 356205095 /nfs/dbraw/zinc/20/50/95/356205095.db2.gz VJWSLMOMPGDWJS-LLVKDONJSA-N 2 1 242.367 0.318 20 0 BCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000617760941 356323686 /nfs/dbraw/zinc/32/36/86/356323686.db2.gz JVPZQWNXVRKCGK-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420298639 192204334 /nfs/dbraw/zinc/20/43/34/192204334.db2.gz FMSJAYIBMDBXPV-LBPRGKRZSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000381300778 491089353 /nfs/dbraw/zinc/08/93/53/491089353.db2.gz DQHKVYWAUVRKAU-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000381300778 491089354 /nfs/dbraw/zinc/08/93/54/491089354.db2.gz DQHKVYWAUVRKAU-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000381300778 491089355 /nfs/dbraw/zinc/08/93/55/491089355.db2.gz DQHKVYWAUVRKAU-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420297638 192204798 /nfs/dbraw/zinc/20/47/98/192204798.db2.gz YZDRKOKVEYJWOD-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420297638 192204799 /nfs/dbraw/zinc/20/47/99/192204799.db2.gz YZDRKOKVEYJWOD-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000381300778 491089356 /nfs/dbraw/zinc/08/93/56/491089356.db2.gz DQHKVYWAUVRKAU-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420297960 192205157 /nfs/dbraw/zinc/20/51/57/192205157.db2.gz ZGXVKPYQMJDBKA-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000381300776 491089372 /nfs/dbraw/zinc/08/93/72/491089372.db2.gz DQHKVYWAUVRKAU-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000381300776 491089373 /nfs/dbraw/zinc/08/93/73/491089373.db2.gz DQHKVYWAUVRKAU-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000381300776 491089376 /nfs/dbraw/zinc/08/93/76/491089376.db2.gz DQHKVYWAUVRKAU-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000381300776 491089378 /nfs/dbraw/zinc/08/93/78/491089378.db2.gz DQHKVYWAUVRKAU-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP COC(=O)CC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420300999 192206343 /nfs/dbraw/zinc/20/63/43/192206343.db2.gz ABWBDYXFUSYXFV-PHIMTYICSA-N 2 1 238.331 0.481 20 0 BCADMP COC(=O)CC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420300999 192206347 /nfs/dbraw/zinc/20/63/47/192206347.db2.gz ABWBDYXFUSYXFV-PHIMTYICSA-N 2 1 238.331 0.481 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420286245 192200224 /nfs/dbraw/zinc/20/02/24/192200224.db2.gz FZXZBTDZAHZKQQ-ZDUSSCGKSA-N 3 1 242.411 0.197 20 0 BCADMP CC(C)[C@@H]([NH3+])CCN(C)CCN1CC[NH2+]CC1 ZINC000420286245 192200228 /nfs/dbraw/zinc/20/02/28/192200228.db2.gz FZXZBTDZAHZKQQ-ZDUSSCGKSA-N 2 1 242.411 0.197 20 0 BCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617752378 356311406 /nfs/dbraw/zinc/31/14/06/356311406.db2.gz MVTNLYLTGSLJDX-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000617752643 356311669 /nfs/dbraw/zinc/31/16/69/356311669.db2.gz RGLIXDKYQPWZAH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CC(=O)NCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000617755968 356316755 /nfs/dbraw/zinc/31/67/55/356316755.db2.gz ZLUPHQDHVPYKLI-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420286843 192202188 /nfs/dbraw/zinc/20/21/88/192202188.db2.gz FUMKVGHKZUHOHD-VXGBXAGGSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420286843 192202190 /nfs/dbraw/zinc/20/21/90/192202190.db2.gz FUMKVGHKZUHOHD-VXGBXAGGSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420292647 192203200 /nfs/dbraw/zinc/20/32/00/192203200.db2.gz PTVGENXVUHWYOO-NEPJUHHUSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420292647 192203203 /nfs/dbraw/zinc/20/32/03/192203203.db2.gz PTVGENXVUHWYOO-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000420340901 192215451 /nfs/dbraw/zinc/21/54/51/192215451.db2.gz SSTUPYFCWOTGNO-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000420340901 192215453 /nfs/dbraw/zinc/21/54/53/192215453.db2.gz SSTUPYFCWOTGNO-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338208 192215474 /nfs/dbraw/zinc/21/54/74/192215474.db2.gz XNGFBNQYWAVMRA-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420353014 192216979 /nfs/dbraw/zinc/21/69/79/192216979.db2.gz BEQYVHHLCXELFL-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP COCCOCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351721 192218281 /nfs/dbraw/zinc/21/82/81/192218281.db2.gz AFTQRVKERZBXLZ-ZDUSSCGKSA-N 2 1 242.363 0.725 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351721 192218283 /nfs/dbraw/zinc/21/82/83/192218283.db2.gz AFTQRVKERZBXLZ-ZDUSSCGKSA-N 2 1 242.363 0.725 20 0 BCADMP CC[C@@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420353016 192218363 /nfs/dbraw/zinc/21/83/63/192218363.db2.gz BEQYVHHLCXELFL-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1CN(CC[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353390 192218537 /nfs/dbraw/zinc/21/85/37/192218537.db2.gz BUZZADHEZVKPKP-NWDGAFQWSA-N 2 1 243.395 0.670 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420299640 192208047 /nfs/dbraw/zinc/20/80/47/192208047.db2.gz BDTDYRDENMTVOI-SDDRHHMPSA-N 2 1 240.347 0.999 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307584 192208616 /nfs/dbraw/zinc/20/86/16/192208616.db2.gz RLSDGOVOUSEVFN-NWDGAFQWSA-N 2 1 239.363 0.442 20 0 BCADMP CCOC(=O)CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306967 192209569 /nfs/dbraw/zinc/20/95/69/192209569.db2.gz ICQZWVMYLQPKMN-TXEJJXNPSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420313191 192210578 /nfs/dbraw/zinc/21/05/78/192210578.db2.gz PIKDTOJHKRQKTK-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000420313191 192210580 /nfs/dbraw/zinc/21/05/80/192210580.db2.gz PIKDTOJHKRQKTK-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420308626 192211014 /nfs/dbraw/zinc/21/10/14/192211014.db2.gz DAQHXNWZTIYRLR-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420308626 192211017 /nfs/dbraw/zinc/21/10/17/192211017.db2.gz DAQHXNWZTIYRLR-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1NCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000420313189 192211616 /nfs/dbraw/zinc/21/16/16/192211616.db2.gz PIKDTOJHKRQKTK-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CCN(CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000420313189 192211618 /nfs/dbraw/zinc/21/16/18/192211618.db2.gz PIKDTOJHKRQKTK-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000420314149 192212600 /nfs/dbraw/zinc/21/26/00/192212600.db2.gz YXQHAGLAUVSMBH-MRVPVSSYSA-N 2 1 226.242 0.724 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000420314149 192212607 /nfs/dbraw/zinc/21/26/07/192212607.db2.gz YXQHAGLAUVSMBH-MRVPVSSYSA-N 2 1 226.242 0.724 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367400 192226096 /nfs/dbraw/zinc/22/60/96/192226096.db2.gz VRFIRTJHBBFRMM-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369783 192226930 /nfs/dbraw/zinc/22/69/30/192226930.db2.gz OMUSSEIZLJKAHE-NQBHXWOUSA-N 3 1 225.380 0.962 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420321698 192228071 /nfs/dbraw/zinc/22/80/71/192228071.db2.gz RKLHCFYLRXMXFM-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352193742 134098045 /nfs/dbraw/zinc/09/80/45/134098045.db2.gz FLKWXAHGPXWVFD-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352193742 134098046 /nfs/dbraw/zinc/09/80/46/134098046.db2.gz FLKWXAHGPXWVFD-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000420361161 192222202 /nfs/dbraw/zinc/22/22/02/192222202.db2.gz MUHGSLAJCNTOEP-CYBMUJFWSA-N 2 1 242.363 0.710 20 0 BCADMP CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360741 192222463 /nfs/dbraw/zinc/22/24/63/192222463.db2.gz MCVGGNLAFJMUNF-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420361187 192222867 /nfs/dbraw/zinc/22/28/67/192222867.db2.gz MWCFCOBTIXSTLJ-NSHDSACASA-N 2 1 244.335 0.107 20 0 BCADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420361187 192222869 /nfs/dbraw/zinc/22/28/69/192222869.db2.gz MWCFCOBTIXSTLJ-NSHDSACASA-N 2 1 244.335 0.107 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367399 192225203 /nfs/dbraw/zinc/22/52/03/192225203.db2.gz VRFIRTJHBBFRMM-QWRGUYRKSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1CCOCC1 ZINC000420369326 192225605 /nfs/dbraw/zinc/22/56/05/192225605.db2.gz OIRWFHCSGOIXSU-AGIUHOORSA-N 2 1 241.379 0.295 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000420380071 192234107 /nfs/dbraw/zinc/23/41/07/192234107.db2.gz BRUPWULHKJDVBU-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCOCC(F)F ZINC000420385426 192234569 /nfs/dbraw/zinc/23/45/69/192234569.db2.gz GPURUJXVIJJFNS-UHFFFAOYSA-N 2 1 210.268 0.809 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCOCC(F)F ZINC000420385426 192234571 /nfs/dbraw/zinc/23/45/71/192234571.db2.gz GPURUJXVIJJFNS-UHFFFAOYSA-N 2 1 210.268 0.809 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCn1c(C)csc1=O ZINC000420389692 192234718 /nfs/dbraw/zinc/23/47/18/192234718.db2.gz OWBUMDMLIIRNPZ-UHFFFAOYSA-N 2 1 243.376 0.760 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCn1c(C)csc1=O ZINC000420389692 192234720 /nfs/dbraw/zinc/23/47/20/192234720.db2.gz OWBUMDMLIIRNPZ-UHFFFAOYSA-N 2 1 243.376 0.760 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420418598 192240902 /nfs/dbraw/zinc/24/09/02/192240902.db2.gz XAHWVMOAWHTMNA-WDEREUQCSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415819 192241478 /nfs/dbraw/zinc/24/14/78/192241478.db2.gz VIKCKHBHBULERH-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919248 181279416 /nfs/dbraw/zinc/27/94/16/181279416.db2.gz GWGBYWACNLWZSG-NWDGAFQWSA-N 2 1 239.363 0.716 20 0 BCADMP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000623711050 356468507 /nfs/dbraw/zinc/46/85/07/356468507.db2.gz SSDWFMRJDFMMTA-GFCCVEGCSA-N 2 1 227.352 0.001 20 0 BCADMP CC(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000639569223 356491899 /nfs/dbraw/zinc/49/18/99/356491899.db2.gz UFQKGGAMCLSYFM-SNVBAGLBSA-N 2 1 207.277 0.798 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H](CO)C(C)(C)C ZINC000639575179 356498496 /nfs/dbraw/zinc/49/84/96/356498496.db2.gz FAIPEQRUEAXCJX-LLVKDONJSA-N 2 1 225.336 0.959 20 0 BCADMP C[C@@H](CO)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000639582060 356503081 /nfs/dbraw/zinc/50/30/81/356503081.db2.gz ZTDCQPBXBIFFGU-VHSXEESVSA-N 2 1 211.309 0.569 20 0 BCADMP C[C@H]1C(=O)NCCCN1CCc1cncn1C ZINC000639605773 356527222 /nfs/dbraw/zinc/52/72/22/356527222.db2.gz CSQTXZDEIPGJFY-JTQLQIEISA-N 2 1 236.319 0.173 20 0 BCADMP CN(CCc1c[nH+]cn1C)C[C@@H]1CCC[N@@H+]1C ZINC000421007134 192297846 /nfs/dbraw/zinc/29/78/46/192297846.db2.gz XCKUADWNRZFDPE-ZDUSSCGKSA-N 2 1 236.363 0.989 20 0 BCADMP CN(CCc1c[nH+]cn1C)C[C@@H]1CCC[N@H+]1C ZINC000421007134 192297847 /nfs/dbraw/zinc/29/78/47/192297847.db2.gz XCKUADWNRZFDPE-ZDUSSCGKSA-N 2 1 236.363 0.989 20 0 BCADMP CC[C@H](N[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780774 202035023 /nfs/dbraw/zinc/03/50/23/202035023.db2.gz VOZHCVBSFJVVSS-GRYCIOLGSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780774 202035027 /nfs/dbraw/zinc/03/50/27/202035027.db2.gz VOZHCVBSFJVVSS-GRYCIOLGSA-N 2 1 241.379 0.831 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630088263 363482216 /nfs/dbraw/zinc/48/22/16/363482216.db2.gz ANJAZBZNMKTDFE-GXSJLCMTSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627194584 363491809 /nfs/dbraw/zinc/49/18/09/363491809.db2.gz XZHDZPKCERRKGU-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627194577 363491257 /nfs/dbraw/zinc/49/12/57/363491257.db2.gz XZHDZPKCERRKGU-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627194581 363491547 /nfs/dbraw/zinc/49/15/47/363491547.db2.gz XZHDZPKCERRKGU-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215205 134136343 /nfs/dbraw/zinc/13/63/43/134136343.db2.gz GCDVVVNERSQFKR-MFKMUULPSA-N 2 1 249.358 0.733 20 0 BCADMP C[NH+](C)CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000193364370 538468617 /nfs/dbraw/zinc/46/86/17/538468617.db2.gz VXKHVGBFKSLKHE-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423061433 192555616 /nfs/dbraw/zinc/55/56/16/192555616.db2.gz KUHLFMOZTBGBTR-XWLWVQCSSA-N 2 1 212.337 0.876 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000167607541 134153050 /nfs/dbraw/zinc/15/30/50/134153050.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167607541 134153051 /nfs/dbraw/zinc/15/30/51/134153051.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167607541 134153052 /nfs/dbraw/zinc/15/30/52/134153052.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 2 1 242.363 0.410 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627226538 363554970 /nfs/dbraw/zinc/55/49/70/363554970.db2.gz NCHFJLYKVQCHFM-MNOVXSKESA-N 2 1 240.351 0.071 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000168021238 134155442 /nfs/dbraw/zinc/15/54/42/134155442.db2.gz RAEMDBDZAURNMP-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168021238 134155443 /nfs/dbraw/zinc/15/54/43/134155443.db2.gz RAEMDBDZAURNMP-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCCN(Cc2cnc[nH]2)C1 ZINC000639760851 356676094 /nfs/dbraw/zinc/67/60/94/356676094.db2.gz BKKFNCFZVKDHKQ-LBPRGKRZSA-N 2 1 238.335 0.298 20 0 BCADMP CCOCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762931 356687902 /nfs/dbraw/zinc/68/79/02/356687902.db2.gz PIHFUHLCBWQGBP-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP COC[C@H](C)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639762465 356684973 /nfs/dbraw/zinc/68/49/73/356684973.db2.gz LHCUXFMVXREOQM-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762465 356684976 /nfs/dbraw/zinc/68/49/76/356684976.db2.gz LHCUXFMVXREOQM-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762465 356684980 /nfs/dbraw/zinc/68/49/80/356684980.db2.gz LHCUXFMVXREOQM-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762465 356684983 /nfs/dbraw/zinc/68/49/83/356684983.db2.gz LHCUXFMVXREOQM-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CCOCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769508 356709315 /nfs/dbraw/zinc/70/93/15/356709315.db2.gz YZXUHWOZAOWYEU-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CCOCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769508 356709318 /nfs/dbraw/zinc/70/93/18/356709318.db2.gz YZXUHWOZAOWYEU-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623341946 356742081 /nfs/dbraw/zinc/74/20/81/356742081.db2.gz ZFRJYLPNLBQNFU-NSHDSACASA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623341946 356742085 /nfs/dbraw/zinc/74/20/85/356742085.db2.gz ZFRJYLPNLBQNFU-NSHDSACASA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335627 356722664 /nfs/dbraw/zinc/72/26/64/356722664.db2.gz WCSXWLPRYVEPJA-ZJUUUORDSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCOCCO)CC1(C)C ZINC000623340466 356739169 /nfs/dbraw/zinc/73/91/69/356739169.db2.gz JDHDDWYAMPGENB-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CCOCCO)CC1(C)C ZINC000623340465 356739345 /nfs/dbraw/zinc/73/93/45/356739345.db2.gz JDHDDWYAMPGENB-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000354574510 356740847 /nfs/dbraw/zinc/74/08/47/356740847.db2.gz GYHKJHGXKHWBOL-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623346766 356756920 /nfs/dbraw/zinc/75/69/20/356756920.db2.gz BIGUGFXXVANEHX-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623346767 356756967 /nfs/dbraw/zinc/75/69/67/356756967.db2.gz BIGUGFXXVANEHX-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639851158 356855288 /nfs/dbraw/zinc/85/52/88/356855288.db2.gz ZHKPBZZROSHQGK-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639851158 356855290 /nfs/dbraw/zinc/85/52/90/356855290.db2.gz ZHKPBZZROSHQGK-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259150 356864832 /nfs/dbraw/zinc/86/48/32/356864832.db2.gz UMVNSSLEGJTEJY-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259150 356864834 /nfs/dbraw/zinc/86/48/34/356864834.db2.gz UMVNSSLEGJTEJY-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP CC[NH+]1CCC(NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358252848 356864936 /nfs/dbraw/zinc/86/49/36/356864936.db2.gz OAJPWQCCFJKRGX-CYBMUJFWSA-N 2 1 241.379 0.127 20 0 BCADMP CNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378114 356900050 /nfs/dbraw/zinc/90/00/50/356900050.db2.gz TUZWWZITQNURJP-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1C ZINC000156229401 538774449 /nfs/dbraw/zinc/77/44/49/538774449.db2.gz VGABKGIPKLHBBG-NEPJUHHUSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000370063820 357004627 /nfs/dbraw/zinc/00/46/27/357004627.db2.gz DRYBRQRMLAQWBM-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CC(C)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000370063820 357004632 /nfs/dbraw/zinc/00/46/32/357004632.db2.gz DRYBRQRMLAQWBM-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000392383410 357151102 /nfs/dbraw/zinc/15/11/02/357151102.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 1 237.351 0.585 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+][C@H]1C)C(C)C ZINC000583690074 357121183 /nfs/dbraw/zinc/12/11/83/357121183.db2.gz CCILBFTZRXJUSY-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000393870563 357304212 /nfs/dbraw/zinc/30/42/12/357304212.db2.gz XWHBTDGWCCYATF-TXEJJXNPSA-N 2 1 234.347 0.852 20 0 BCADMP C[C@]1(C(=O)NCC[N@@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392847895 357245201 /nfs/dbraw/zinc/24/52/01/357245201.db2.gz ZFPJRGLOSMZKHN-ZDUSSCGKSA-N 2 1 237.347 0.364 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392877637 357260872 /nfs/dbraw/zinc/26/08/72/357260872.db2.gz MVEFROQSZZVHQU-SNVBAGLBSA-N 2 1 211.309 0.102 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392893976 357262644 /nfs/dbraw/zinc/26/26/44/357262644.db2.gz BOBVVALFGWBJLG-LLVKDONJSA-N 2 1 225.336 0.220 20 0 BCADMP [NH3+]CCCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392974195 357266622 /nfs/dbraw/zinc/26/66/22/357266622.db2.gz WIMZVDQABHLCSK-UHFFFAOYSA-N 2 1 225.336 0.494 20 0 BCADMP OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000582546877 357331496 /nfs/dbraw/zinc/33/14/96/357331496.db2.gz QNMCRQQFCBCASX-IJLUTSLNSA-N 2 1 228.336 0.116 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000582736716 357377658 /nfs/dbraw/zinc/37/76/58/357377658.db2.gz GOYLTWACBJUKMN-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c(N(C)C)n1 ZINC000168332572 134197847 /nfs/dbraw/zinc/19/78/47/134197847.db2.gz RQVISBLCUZEKKO-SECBINFHSA-N 2 1 223.324 0.810 20 0 BCADMP C[C@@H](NCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000582839321 357411856 /nfs/dbraw/zinc/41/18/56/357411856.db2.gz VTIXXRFLUBCHGS-ZYHUDNBSSA-N 2 1 211.353 0.716 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201911 357428154 /nfs/dbraw/zinc/42/81/54/357428154.db2.gz WJSMWTVIFCZLJR-IJLUTSLNSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)O ZINC000395368757 357433118 /nfs/dbraw/zinc/43/31/18/357433118.db2.gz MLGIIGVHEHMXNT-DLOVCJGASA-N 2 1 230.352 0.191 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)O ZINC000395368757 357433122 /nfs/dbraw/zinc/43/31/22/357433122.db2.gz MLGIIGVHEHMXNT-DLOVCJGASA-N 2 1 230.352 0.191 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000582907482 357433430 /nfs/dbraw/zinc/43/34/30/357433430.db2.gz IIGWPSCXTYTQHL-ZDUSSCGKSA-N 2 1 241.379 0.379 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000582972640 357447856 /nfs/dbraw/zinc/44/78/56/357447856.db2.gz WFVBKAHQYKTMRD-SNVBAGLBSA-N 2 1 247.289 0.183 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(CO)CC1)C1CC1 ZINC000395850525 357458036 /nfs/dbraw/zinc/45/80/36/357458036.db2.gz LSYIHEQVZMWYJA-LBPRGKRZSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(CO)CC1)C1CC1 ZINC000395850525 357458041 /nfs/dbraw/zinc/45/80/41/357458041.db2.gz LSYIHEQVZMWYJA-LBPRGKRZSA-N 2 1 242.363 0.194 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188738974 357566883 /nfs/dbraw/zinc/56/68/83/357566883.db2.gz KGBQYCMPHWLIKQ-GARJFASQSA-N 2 1 243.326 0.287 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189013073 357600357 /nfs/dbraw/zinc/60/03/57/357600357.db2.gz NEESTKJRWVTVKA-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(O)CCC1)C1CC1 ZINC000397700935 357645029 /nfs/dbraw/zinc/64/50/29/357645029.db2.gz ITUDQDOMJFBTHJ-LBPRGKRZSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(O)CCC1)C1CC1 ZINC000397700935 357645032 /nfs/dbraw/zinc/64/50/32/357645032.db2.gz ITUDQDOMJFBTHJ-LBPRGKRZSA-N 2 1 242.363 0.336 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709618 357648106 /nfs/dbraw/zinc/64/81/06/357648106.db2.gz BTIBEWUQCNQDFT-JFGNBEQYSA-N 2 1 244.404 0.925 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415170 357762876 /nfs/dbraw/zinc/76/28/76/357762876.db2.gz BICUMAJUPILOCN-DGCLKSJQSA-N 2 1 244.379 0.846 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000583273627 357792137 /nfs/dbraw/zinc/79/21/37/357792137.db2.gz WIMCFCXPSJPELI-SKDRFNHKSA-N 2 1 225.336 0.147 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000583273627 357792139 /nfs/dbraw/zinc/79/21/39/357792139.db2.gz WIMCFCXPSJPELI-SKDRFNHKSA-N 2 1 225.336 0.147 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065014 357808243 /nfs/dbraw/zinc/80/82/43/357808243.db2.gz PKPCVGPWLQINQB-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH+](CC)CCC[N@H+](C)CC(C)(CO)CO ZINC000191555476 357785686 /nfs/dbraw/zinc/78/56/86/357785686.db2.gz LGEJUXWNDSSWOM-UHFFFAOYSA-N 2 1 246.395 0.641 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)(CO)CO ZINC000191555476 357785691 /nfs/dbraw/zinc/78/56/91/357785691.db2.gz LGEJUXWNDSSWOM-UHFFFAOYSA-N 2 1 246.395 0.641 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168516052 134225372 /nfs/dbraw/zinc/22/53/72/134225372.db2.gz PQUZVNXHGPPKLN-KOLCDFICSA-N 2 1 222.336 0.898 20 0 BCADMP Cn1cncc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000085170758 134224511 /nfs/dbraw/zinc/22/45/11/134224511.db2.gz YJYOVYOSCPRSSZ-SNVBAGLBSA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cncc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000085170758 134224512 /nfs/dbraw/zinc/22/45/12/134224512.db2.gz YJYOVYOSCPRSSZ-SNVBAGLBSA-N 2 1 208.309 0.591 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399074933 357895114 /nfs/dbraw/zinc/89/51/14/357895114.db2.gz PGBXTAREBUBFHU-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398375150 357884674 /nfs/dbraw/zinc/88/46/74/357884674.db2.gz KIERQYHBNPNHBY-WCQYABFASA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398375150 357884677 /nfs/dbraw/zinc/88/46/77/357884677.db2.gz KIERQYHBNPNHBY-WCQYABFASA-N 2 1 244.379 0.582 20 0 BCADMP [NH3+]CCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322165 357903760 /nfs/dbraw/zinc/90/37/60/357903760.db2.gz WDCSESGFVNQUCB-NSHDSACASA-N 3 1 227.352 0.023 20 0 BCADMP [NH3+]CCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322165 357903764 /nfs/dbraw/zinc/90/37/64/357903764.db2.gz WDCSESGFVNQUCB-NSHDSACASA-N 2 1 227.352 0.023 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000583762643 357938621 /nfs/dbraw/zinc/93/86/21/357938621.db2.gz ASPHKOFVCWPSLN-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@](C)(CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000639957650 357982078 /nfs/dbraw/zinc/98/20/78/357982078.db2.gz RIMIGPXGTWWCEI-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219249370 357989096 /nfs/dbraw/zinc/98/90/96/357989096.db2.gz SSWZDUXQMXPMHH-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219249370 357989097 /nfs/dbraw/zinc/98/90/97/357989097.db2.gz SSWZDUXQMXPMHH-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000584473253 357990355 /nfs/dbraw/zinc/99/03/55/357990355.db2.gz VHIMYNIOGKOSRX-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219941615 358010517 /nfs/dbraw/zinc/01/05/17/358010517.db2.gz LMKMHXWCPXBZFL-BDAKNGLRSA-N 2 1 213.325 0.193 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815604 358013604 /nfs/dbraw/zinc/01/36/04/358013604.db2.gz SJCAHVFPEPQXLA-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485370 358072691 /nfs/dbraw/zinc/07/26/91/358072691.db2.gz NYGZQEJURMCWQC-MWLCHTKSSA-N 2 1 225.336 0.324 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COC)CC1 ZINC000640016277 358075894 /nfs/dbraw/zinc/07/58/94/358075894.db2.gz WXQNACPHDBROGE-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP [NH3+]CCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001179 491121614 /nfs/dbraw/zinc/12/16/14/491121614.db2.gz QHNHKPWKEVQSRQ-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP Cn1cc([C@H](CO)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000584665237 358125620 /nfs/dbraw/zinc/12/56/20/358125620.db2.gz FNQWTJSUMOPRIA-WOPDTQHZSA-N 2 1 238.335 0.313 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250237647 535405986 /nfs/dbraw/zinc/40/59/86/535405986.db2.gz GZJFHLCAHQDNGW-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250237647 535405991 /nfs/dbraw/zinc/40/59/91/535405991.db2.gz GZJFHLCAHQDNGW-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223584684 358225656 /nfs/dbraw/zinc/22/56/56/358225656.db2.gz LIKSHQMZLVBYJP-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624393 358244428 /nfs/dbraw/zinc/24/44/28/358244428.db2.gz RGDTWKDEEXGVPT-JTQLQIEISA-N 2 1 213.325 0.052 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225480659 358301056 /nfs/dbraw/zinc/30/10/56/358301056.db2.gz ZSVVJKNOVIULRY-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225480659 358301060 /nfs/dbraw/zinc/30/10/60/358301060.db2.gz ZSVVJKNOVIULRY-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000226869231 358345929 /nfs/dbraw/zinc/34/59/29/358345929.db2.gz ZZSZCJGJSKXNMZ-NQBHXWOUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226869247 358346086 /nfs/dbraw/zinc/34/60/86/358346086.db2.gz LEAFDMPDRAXVEF-YFKTTZPYSA-N 2 1 239.363 0.583 20 0 BCADMP CCOC(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000042429936 358349327 /nfs/dbraw/zinc/34/93/27/358349327.db2.gz POXKAYBWEDRYSV-UHFFFAOYSA-N 2 1 200.282 0.363 20 0 BCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000613661111 363607460 /nfs/dbraw/zinc/60/74/60/363607460.db2.gz SQENPHNNNAPWIX-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CCc1[nH+]ccn1CCN1CC[NH2+]CC1 ZINC000043500091 358377777 /nfs/dbraw/zinc/37/77/77/358377777.db2.gz BHBLYHWEBRRFCU-UHFFFAOYSA-N 2 1 208.309 0.351 20 0 BCADMP C([C@H]1CCCOC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282298 134274842 /nfs/dbraw/zinc/27/48/42/134274842.db2.gz HDJHWINSFNOYIX-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000227833428 358364232 /nfs/dbraw/zinc/36/42/32/358364232.db2.gz GOAQMIDBCPXMFT-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173901398 134278352 /nfs/dbraw/zinc/27/83/52/134278352.db2.gz HAGMTVUPSSNWNP-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173901398 134278353 /nfs/dbraw/zinc/27/83/53/134278353.db2.gz HAGMTVUPSSNWNP-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538882 358389482 /nfs/dbraw/zinc/38/94/82/358389482.db2.gz OPSVMRKQUWZLCQ-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000044538892 358389917 /nfs/dbraw/zinc/38/99/17/358389917.db2.gz QJVIIWQMZRPEDV-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538951 358391033 /nfs/dbraw/zinc/39/10/33/358391033.db2.gz ORJBPYUBWUAQRZ-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000044538997 358391149 /nfs/dbraw/zinc/39/11/49/358391149.db2.gz CLNWRKSPKQQHNO-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191431 358396036 /nfs/dbraw/zinc/39/60/36/358396036.db2.gz IZGICFNSEFDINJ-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+](C)CCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000219323607 134281240 /nfs/dbraw/zinc/28/12/40/134281240.db2.gz HJZSEYDDRHDHRH-UHFFFAOYSA-N 3 1 229.368 0.248 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000045135575 358417975 /nfs/dbraw/zinc/41/79/75/358417975.db2.gz TYXWYLDIRDPVBW-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC[N@H+]1C ZINC000219307129 134281475 /nfs/dbraw/zinc/28/14/75/134281475.db2.gz ABGZKIXVZNQCBF-STQMWFEESA-N 3 1 243.395 0.637 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCN1C ZINC000219307129 134281476 /nfs/dbraw/zinc/28/14/76/134281476.db2.gz ABGZKIXVZNQCBF-STQMWFEESA-N 2 1 243.395 0.637 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726753 358553103 /nfs/dbraw/zinc/55/31/03/358553103.db2.gz XIXZOYXWRJCXHL-PWSUYJOCSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805834 358554385 /nfs/dbraw/zinc/55/43/85/358554385.db2.gz VPKIBRHVOYGNAQ-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000086271920 358573743 /nfs/dbraw/zinc/57/37/43/358573743.db2.gz GFBFLVOYQARZMK-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP C(C[NH2+][C@H]1CCC[NH2+]C1)COC[C@H]1CCCO1 ZINC000043324925 358536910 /nfs/dbraw/zinc/53/69/10/358536910.db2.gz GGFQOSLEEPRSOI-QWHCGFSZSA-N 2 1 242.363 0.914 20 0 BCADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000131209670 358665975 /nfs/dbraw/zinc/66/59/75/358665975.db2.gz HEWXWINXFDJVBK-SNVBAGLBSA-N 2 1 237.328 0.746 20 0 BCADMP [NH3+]C1(CNC(=O)[C@@H]2CSC[NH2+]2)CCCCC1 ZINC000131517191 358680926 /nfs/dbraw/zinc/68/09/26/358680926.db2.gz ZISRFNXHGKUERX-VIFPVBQESA-N 2 1 243.376 0.427 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372694 134291316 /nfs/dbraw/zinc/29/13/16/134291316.db2.gz NTTWDMRWUZMXEP-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974909 358741344 /nfs/dbraw/zinc/74/13/44/358741344.db2.gz MNCNNPRXMOZKPN-WOPDTQHZSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@](C[NH3+])(NC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000578244265 366468949 /nfs/dbraw/zinc/46/89/49/366468949.db2.gz XKOCCWHKCBYVTF-SECBINFHSA-N 2 1 235.278 0.214 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177033597 134293914 /nfs/dbraw/zinc/29/39/14/134293914.db2.gz XRQJSPVWVNZYLG-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C[NH+]1CCC([NH2+]CCC(=O)NC(C)(C)C)CC1 ZINC000134509473 358793313 /nfs/dbraw/zinc/79/33/13/358793313.db2.gz FNZBWYBSMYNVEO-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871831 358808509 /nfs/dbraw/zinc/80/85/09/358808509.db2.gz HBLRCYCVDMDGMP-YPMHNXCESA-N 2 1 224.348 0.927 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000564083622 358849593 /nfs/dbraw/zinc/84/95/93/358849593.db2.gz YCUHHACSGUTEOU-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]C1CSC1 ZINC000308605222 491137364 /nfs/dbraw/zinc/13/73/64/491137364.db2.gz PKKNVBVEBQIYIA-UHFFFAOYSA-N 2 1 218.366 0.660 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931444 358921442 /nfs/dbraw/zinc/92/14/42/358921442.db2.gz MQDDIDPOWSNXDI-KOLCDFICSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433055 358946582 /nfs/dbraw/zinc/94/65/82/358946582.db2.gz YJRDYOPIXZDDFC-UWVGGRQHSA-N 2 1 200.326 0.830 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177838247 134303702 /nfs/dbraw/zinc/30/37/02/134303702.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000177838247 134303703 /nfs/dbraw/zinc/30/37/03/134303703.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000177838247 134303704 /nfs/dbraw/zinc/30/37/04/134303704.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070543156 359059681 /nfs/dbraw/zinc/05/96/81/359059681.db2.gz DIFQVULFAWDAPL-LLVKDONJSA-N 2 1 248.392 0.482 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000074693745 359124726 /nfs/dbraw/zinc/12/47/26/359124726.db2.gz FBEFAPPSSNYRRM-UHFFFAOYSA-N 2 1 239.363 0.636 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000247117591 359214761 /nfs/dbraw/zinc/21/47/61/359214761.db2.gz QZJFFPBONKKYDV-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000076003903 359264160 /nfs/dbraw/zinc/26/41/60/359264160.db2.gz HGIMMUCQVWYMSN-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1C[C@H]1C ZINC000423530257 192804270 /nfs/dbraw/zinc/80/42/70/192804270.db2.gz YQFJKTHWIQREQO-VOAKCMCISA-N 2 1 225.380 0.914 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)C1CCC1 ZINC000379611734 359565971 /nfs/dbraw/zinc/56/59/71/359565971.db2.gz UUJJIAZQESKQSA-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000379611734 359565978 /nfs/dbraw/zinc/56/59/78/359565978.db2.gz UUJJIAZQESKQSA-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000379611734 359565984 /nfs/dbraw/zinc/56/59/84/359565984.db2.gz UUJJIAZQESKQSA-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000450913170 202308821 /nfs/dbraw/zinc/30/88/21/202308821.db2.gz YSJWROMQTKQAEW-ZDUSSCGKSA-N 2 1 242.363 0.820 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000450913170 202308823 /nfs/dbraw/zinc/30/88/23/202308823.db2.gz YSJWROMQTKQAEW-ZDUSSCGKSA-N 2 1 242.363 0.820 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC000578409612 366558453 /nfs/dbraw/zinc/55/84/53/366558453.db2.gz HFGXENREWIOYHJ-NSHDSACASA-N 2 1 236.319 0.341 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000578442125 366569483 /nfs/dbraw/zinc/56/94/83/366569483.db2.gz YZTNCGWGKMDFLJ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000087331911 359907642 /nfs/dbraw/zinc/90/76/42/359907642.db2.gz ONJIYCCHYWVFPI-UHFFFAOYSA-N 2 1 223.320 0.879 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC(O)(CC)CC1 ZINC000578545173 366595653 /nfs/dbraw/zinc/59/56/53/366595653.db2.gz HTYZBVULZVLCGK-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CCN(C)C[C@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545173 366595662 /nfs/dbraw/zinc/59/56/62/366595662.db2.gz HTYZBVULZVLCGK-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000578617011 366608639 /nfs/dbraw/zinc/60/86/39/366608639.db2.gz HYOOUIUCQDUYOS-JHJVBQTASA-N 2 1 225.380 0.916 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091210 359937089 /nfs/dbraw/zinc/93/70/89/359937089.db2.gz ZCHJCGYUQQDBTN-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867760 366661754 /nfs/dbraw/zinc/66/17/54/366661754.db2.gz BNZYRYJZMCYCCA-AGIUHOORSA-N 3 1 223.364 0.527 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867760 366661756 /nfs/dbraw/zinc/66/17/56/366661756.db2.gz BNZYRYJZMCYCCA-AGIUHOORSA-N 2 1 223.364 0.527 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC1C[NH2+]C1 ZINC000578866674 366661811 /nfs/dbraw/zinc/66/18/11/366661811.db2.gz VCAJETUPTQXCGZ-UHFFFAOYSA-N 2 1 221.260 0.064 20 0 BCADMP C([NH2+]C1CCOCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000090714969 360085132 /nfs/dbraw/zinc/08/51/32/360085132.db2.gz BMAVSVPZKIFZSH-QWHCGFSZSA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+]C1CCOCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000090714969 360085137 /nfs/dbraw/zinc/08/51/37/360085137.db2.gz BMAVSVPZKIFZSH-QWHCGFSZSA-N 2 1 240.347 0.618 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879842 360151983 /nfs/dbraw/zinc/15/19/83/360151983.db2.gz DMDBPDDLDNKJCX-GFCCVEGCSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000628648146 360595311 /nfs/dbraw/zinc/59/53/11/360595311.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000628648146 360595319 /nfs/dbraw/zinc/59/53/19/360595319.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000628648146 360595322 /nfs/dbraw/zinc/59/53/22/360595322.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628753954 360633072 /nfs/dbraw/zinc/63/30/72/360633072.db2.gz FKCSHOYUAHBNRR-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908573 361001389 /nfs/dbraw/zinc/00/13/89/361001389.db2.gz CUTNXIGYHLSIFC-TXEJJXNPSA-N 2 1 243.420 0.717 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2cccc(O)c2)CCOCC1 ZINC000629387697 361039994 /nfs/dbraw/zinc/03/99/94/361039994.db2.gz LCFIGANCUAHCMT-UHFFFAOYSA-N 2 1 236.315 0.990 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000629455874 361079634 /nfs/dbraw/zinc/07/96/34/361079634.db2.gz LFWMXKIJPYCUBU-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629510368 361108578 /nfs/dbraw/zinc/10/85/78/361108578.db2.gz RCALDACDJRCILH-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629510368 361108582 /nfs/dbraw/zinc/10/85/82/361108582.db2.gz RCALDACDJRCILH-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000629519880 361120474 /nfs/dbraw/zinc/12/04/74/361120474.db2.gz RRVPKEYWBUVIMU-UMSGYPCISA-N 2 1 241.379 0.423 20 0 BCADMP C[N@@H+](CCC[NH3+])CCOC1CCOCC1 ZINC000629515441 361114038 /nfs/dbraw/zinc/11/40/38/361114038.db2.gz TVABDSULGKJOMO-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@H]1CCC[NH2+]1 ZINC000629532429 361152478 /nfs/dbraw/zinc/15/24/78/361152478.db2.gz AOHXBFCWRAPGBI-SDDRHHMPSA-N 2 1 227.352 0.047 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000629523159 361124914 /nfs/dbraw/zinc/12/49/14/361124914.db2.gz AIYVHAQDHMZJAR-VDUILEQBSA-N 2 1 245.326 0.985 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000629525735 361127169 /nfs/dbraw/zinc/12/71/69/361127169.db2.gz AIQMHOOTUJQKIP-NNYUYHANSA-N 2 1 211.353 0.667 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637105 361206138 /nfs/dbraw/zinc/20/61/38/361206138.db2.gz RNIOBQQSIHGYID-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158639150 361206376 /nfs/dbraw/zinc/20/63/76/361206376.db2.gz JLIZYVNVYCTDJS-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(C)(C)[NH3+] ZINC000579003916 366692433 /nfs/dbraw/zinc/69/24/33/366692433.db2.gz VAXKYLNRIDMMDH-UHFFFAOYSA-N 2 1 238.335 0.777 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481066 361264755 /nfs/dbraw/zinc/26/47/55/361264755.db2.gz KLZMHOKKTZDNNZ-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481066 361264756 /nfs/dbraw/zinc/26/47/56/361264756.db2.gz KLZMHOKKTZDNNZ-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000579111030 366713271 /nfs/dbraw/zinc/71/32/71/366713271.db2.gz QXFZPWWDMLSOGL-JQWIXIFHSA-N 2 1 241.335 0.425 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227119 366738362 /nfs/dbraw/zinc/73/83/62/366738362.db2.gz MTZCMGMUJCVCRZ-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000579229570 366739373 /nfs/dbraw/zinc/73/93/73/366739373.db2.gz JBELVLOMCLUJIE-GMTAPVOTSA-N 2 1 227.352 0.713 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000622044861 370678229 /nfs/dbraw/zinc/67/82/29/370678229.db2.gz VVHOOWUPGHGVRY-MWLCHTKSSA-N 2 1 248.330 0.766 20 0 BCADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(N)=O ZINC000429121596 201070718 /nfs/dbraw/zinc/07/07/18/201070718.db2.gz LNXHFPIMWRSDHM-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(N)=O ZINC000429121596 201070721 /nfs/dbraw/zinc/07/07/21/201070721.db2.gz LNXHFPIMWRSDHM-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000429132791 201071914 /nfs/dbraw/zinc/07/19/14/201071914.db2.gz FMIUTMAJBGWRJN-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000429276830 201087696 /nfs/dbraw/zinc/08/76/96/201087696.db2.gz XJAKXUGINJGKQZ-LBPRGKRZSA-N 2 1 229.368 0.818 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429239477 201082429 /nfs/dbraw/zinc/08/24/29/201082429.db2.gz QPVCEONDNUEIFP-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000036757314 361395572 /nfs/dbraw/zinc/39/55/72/361395572.db2.gz HUPMCSUJBHQQFW-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP COC1(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCC1 ZINC000429540960 201112140 /nfs/dbraw/zinc/11/21/40/201112140.db2.gz UONWJPRZYUJZDJ-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP CCO[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000629537316 361400942 /nfs/dbraw/zinc/40/09/42/361400942.db2.gz ORBOFOIFAYACIW-GHMZBOCLSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429324021 201101379 /nfs/dbraw/zinc/10/13/79/201101379.db2.gz YYJCXJMKNVZBQM-OUAUKWLOSA-N 2 1 227.352 0.665 20 0 BCADMP CC[C@@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629555930 361448673 /nfs/dbraw/zinc/44/86/73/361448673.db2.gz JNRCVCYLOYHUKT-XQQFMLRXSA-N 2 1 241.379 0.173 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545586 361426746 /nfs/dbraw/zinc/42/67/46/361426746.db2.gz LNVCOBQLLFRRMD-HBNTYKKESA-N 3 1 215.341 0.080 20 0 BCADMP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C1C[NH2+]C1 ZINC000629555872 361449188 /nfs/dbraw/zinc/44/91/88/361449188.db2.gz HKJPTCXVLCLWAZ-CABZTGNLSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000629553022 361438022 /nfs/dbraw/zinc/43/80/22/361438022.db2.gz GBNGCPJKEUEIEF-NXEZZACHSA-N 2 1 223.324 0.353 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629549440 361441368 /nfs/dbraw/zinc/44/13/68/361441368.db2.gz VOUPBQSBSPSVOK-NOOOWODRSA-N 2 1 211.353 0.809 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551133 361444121 /nfs/dbraw/zinc/44/41/21/361444121.db2.gz RRVPKEYWBUVIMU-CYDGBPFRSA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551133 361444127 /nfs/dbraw/zinc/44/41/27/361444127.db2.gz RRVPKEYWBUVIMU-CYDGBPFRSA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H](NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629556568 361449999 /nfs/dbraw/zinc/44/99/99/361449999.db2.gz SLBTZNDENFJXAG-RWMBFGLXSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556390 361450354 /nfs/dbraw/zinc/45/03/54/361450354.db2.gz OXUHRYAHHXSKNE-FRRDWIJNSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556390 361450358 /nfs/dbraw/zinc/45/03/58/361450358.db2.gz OXUHRYAHHXSKNE-FRRDWIJNSA-N 2 1 241.379 0.031 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1CCOCC1 ZINC000629571318 361460727 /nfs/dbraw/zinc/46/07/27/361460727.db2.gz KXKWBEYYFNGRDC-UHFFFAOYSA-N 2 1 230.352 0.581 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629567876 361460835 /nfs/dbraw/zinc/46/08/35/361460835.db2.gz PYXXLZIOQXZIMB-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629567876 361460838 /nfs/dbraw/zinc/46/08/38/361460838.db2.gz PYXXLZIOQXZIMB-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629569535 361461530 /nfs/dbraw/zinc/46/15/30/361461530.db2.gz XQFGEPQCAOYFEZ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629569535 361461534 /nfs/dbraw/zinc/46/15/34/361461534.db2.gz XQFGEPQCAOYFEZ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOCC(F)F ZINC000629578594 361465168 /nfs/dbraw/zinc/46/51/68/361465168.db2.gz SUOVBODBURLUBA-UHFFFAOYSA-N 2 1 226.267 0.175 20 0 BCADMP C[N@H+](CCOCC[NH3+])Cc1cn2cccnc2n1 ZINC000629577808 361467758 /nfs/dbraw/zinc/46/77/58/361467758.db2.gz JNYPNFKXFSAKAE-UHFFFAOYSA-N 2 1 249.318 0.136 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cn2cccnc2n1 ZINC000629577808 361467763 /nfs/dbraw/zinc/46/77/63/361467763.db2.gz JNYPNFKXFSAKAE-UHFFFAOYSA-N 2 1 249.318 0.136 20 0 BCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430942596 201158962 /nfs/dbraw/zinc/15/89/62/201158962.db2.gz MFIYHHXXFNRKAI-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430942596 201158963 /nfs/dbraw/zinc/15/89/63/201158963.db2.gz MFIYHHXXFNRKAI-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP CCn1nnc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000629581403 361471264 /nfs/dbraw/zinc/47/12/64/361471264.db2.gz ZFHIJZHNNVHFBZ-UHFFFAOYSA-N 2 1 241.339 0.014 20 0 BCADMP CCn1nnc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629581403 361471267 /nfs/dbraw/zinc/47/12/67/361471267.db2.gz ZFHIJZHNNVHFBZ-UHFFFAOYSA-N 2 1 241.339 0.014 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581893 361472880 /nfs/dbraw/zinc/47/28/80/361472880.db2.gz JFQYUBMLYYQSEF-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581633 361473095 /nfs/dbraw/zinc/47/30/95/361473095.db2.gz FCZMPKDCYZNVPR-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP CC(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000629595185 361481836 /nfs/dbraw/zinc/48/18/36/361481836.db2.gz KTLVWJXKCSTSKZ-NSHDSACASA-N 2 1 213.325 0.326 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000163328255 361454840 /nfs/dbraw/zinc/45/48/40/361454840.db2.gz ZIEMFFPZQJDGGG-GHMZBOCLSA-N 2 1 212.337 0.830 20 0 BCADMP Cn1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000629649634 361546035 /nfs/dbraw/zinc/54/60/35/361546035.db2.gz XOLTVWGKGHZWRN-GFCCVEGCSA-N 2 1 223.320 0.493 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629650705 361548198 /nfs/dbraw/zinc/54/81/98/361548198.db2.gz ZVVYQTKLNBBSGG-CHWSQXEVSA-N 2 1 237.347 0.821 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629653182 361551100 /nfs/dbraw/zinc/55/11/00/361551100.db2.gz HSTSBYPFUDMAGI-CHWSQXEVSA-N 3 1 243.395 0.542 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1(F)CC1 ZINC000629652700 361551118 /nfs/dbraw/zinc/55/11/18/361551118.db2.gz CVQIYDQFEPUEMM-UHFFFAOYSA-N 2 1 204.289 0.656 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)COC ZINC000629652656 361551574 /nfs/dbraw/zinc/55/15/74/361551574.db2.gz BDGSWYHDIAAGTL-NSHDSACASA-N 2 1 218.341 0.437 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCSC1 ZINC000629662059 361594672 /nfs/dbraw/zinc/59/46/72/361594672.db2.gz CJFKCYISADYVBJ-SNVBAGLBSA-N 2 1 218.366 0.647 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435756990 201285516 /nfs/dbraw/zinc/28/55/16/201285516.db2.gz WSDSSRIELTZZQG-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000435878569 201292810 /nfs/dbraw/zinc/29/28/10/201292810.db2.gz DBNKWYYMZOCPKY-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@H]1CN(CCC[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000435872909 201294222 /nfs/dbraw/zinc/29/42/22/201294222.db2.gz SIWSFGHGPQPUMQ-STQMWFEESA-N 2 1 243.395 0.373 20 0 BCADMP C[C@@H](C(=O)NCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000155346181 201324729 /nfs/dbraw/zinc/32/47/29/201324729.db2.gz OFJWXRJFGFFQKU-TUAOUCFPSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000083726106 491162720 /nfs/dbraw/zinc/16/27/20/491162720.db2.gz ABCOWNVQGVVFHQ-VIFPVBQESA-N 2 1 200.326 0.830 20 0 BCADMP NC(=[NH2+])NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000630387064 364101193 /nfs/dbraw/zinc/10/11/93/364101193.db2.gz GFNBLNUVTOTTLD-SNVBAGLBSA-N 2 1 210.325 0.876 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951098 364278663 /nfs/dbraw/zinc/27/86/63/364278663.db2.gz CALNDIXVCQKWJW-HBIQZDMRSA-N 3 1 211.353 0.986 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951115 364279416 /nfs/dbraw/zinc/27/94/16/364279416.db2.gz CALNDIXVCQKWJW-YYJSSNLHSA-N 3 1 211.353 0.986 20 0 BCADMP CC[NH+](CC)Cc1cn(CCCC[NH3+])nn1 ZINC000630585277 364292438 /nfs/dbraw/zinc/29/24/38/364292438.db2.gz ANHXSDONLDHGNS-UHFFFAOYSA-N 2 1 225.340 0.859 20 0 BCADMP CC[NH+](CC)Cc1cn(CC2C[NH2+]C2)nn1 ZINC000630613295 364342439 /nfs/dbraw/zinc/34/24/39/364342439.db2.gz JZWZLXNZZNMKDB-UHFFFAOYSA-N 2 1 223.324 0.339 20 0 BCADMP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631672363 364318186 /nfs/dbraw/zinc/31/81/86/364318186.db2.gz HWWIISABDLQAHK-QWHCGFSZSA-N 2 1 240.347 0.210 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000135807913 364450226 /nfs/dbraw/zinc/45/02/26/364450226.db2.gz YNUOFJHDMOTTPY-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000579540486 366850323 /nfs/dbraw/zinc/85/03/23/366850323.db2.gz YLSSVYRDZFJLPL-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000579540486 366850330 /nfs/dbraw/zinc/85/03/30/366850330.db2.gz YLSSVYRDZFJLPL-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000579540486 366850338 /nfs/dbraw/zinc/85/03/38/366850338.db2.gz YLSSVYRDZFJLPL-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250844500 181369360 /nfs/dbraw/zinc/36/93/60/181369360.db2.gz MUROODXZZZXBHU-VHSXEESVSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248135778 364627236 /nfs/dbraw/zinc/62/72/36/364627236.db2.gz PAQRGLIFFZRUPY-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP CCOCC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000573597250 364871345 /nfs/dbraw/zinc/87/13/45/364871345.db2.gz ZPUQHJAIHKWLEO-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000573924121 364946655 /nfs/dbraw/zinc/94/66/55/364946655.db2.gz RGNPMSBCKRVFIL-GHMZBOCLSA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000573924128 364947825 /nfs/dbraw/zinc/94/78/25/364947825.db2.gz RGNPMSBCKRVFIL-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC1=CC[NH2+]CC1 ZINC000574215576 365012186 /nfs/dbraw/zinc/01/21/86/365012186.db2.gz NXRXERNTFYFGAZ-UHFFFAOYSA-N 2 1 233.262 0.006 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+](C)C ZINC000162173919 541446861 /nfs/dbraw/zinc/44/68/61/541446861.db2.gz PECIJZIQCARMPP-PWSUYJOCSA-N 2 1 241.379 0.926 20 0 BCADMP COCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574337124 365039678 /nfs/dbraw/zinc/03/96/78/365039678.db2.gz NCSCXGPENUPHQP-UHFFFAOYSA-N 2 1 244.379 0.848 20 0 BCADMP [NH3+]CCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000019933562 181392038 /nfs/dbraw/zinc/39/20/38/181392038.db2.gz OFGCUZLJNPMCHT-UHFFFAOYSA-N 2 1 249.358 0.642 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC)C1 ZINC000574410798 365056531 /nfs/dbraw/zinc/05/65/31/365056531.db2.gz WEOLBUISWYKYIS-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC)C1 ZINC000574410798 365056537 /nfs/dbraw/zinc/05/65/37/365056537.db2.gz WEOLBUISWYKYIS-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000574410798 365056541 /nfs/dbraw/zinc/05/65/41/365056541.db2.gz WEOLBUISWYKYIS-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(CC)C1 ZINC000574410798 365056549 /nfs/dbraw/zinc/05/65/49/365056549.db2.gz WEOLBUISWYKYIS-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@@H](O)CSC)CC1 ZINC000574444079 365061504 /nfs/dbraw/zinc/06/15/04/365061504.db2.gz UPWDUSHHIRMSPH-LLVKDONJSA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000574573679 365094095 /nfs/dbraw/zinc/09/40/95/365094095.db2.gz FJXUWACBEGVDDK-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000574873420 365163543 /nfs/dbraw/zinc/16/35/43/365163543.db2.gz QTOZTPQYRMDMHK-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CO[C@H]1C[C@@H](N(C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000574879992 365166235 /nfs/dbraw/zinc/16/62/35/365166235.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 1 242.363 0.551 20 0 BCADMP CO[C@H]1C[C@@H](N(C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000574879992 365166239 /nfs/dbraw/zinc/16/62/39/365166239.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 1 242.363 0.551 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000171180639 365175734 /nfs/dbraw/zinc/17/57/34/365175734.db2.gz QPSKHDCRFFLJHH-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C ZINC000171180639 365175736 /nfs/dbraw/zinc/17/57/36/365175736.db2.gz QPSKHDCRFFLJHH-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000443060346 193012577 /nfs/dbraw/zinc/01/25/77/193012577.db2.gz OVFVMELVWJEIRO-LBPRGKRZSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCCN2CCC2)C1 ZINC000575135425 365217982 /nfs/dbraw/zinc/21/79/82/365217982.db2.gz ALCPGMHZRHJHBL-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000575135425 365217996 /nfs/dbraw/zinc/21/79/96/365217996.db2.gz ALCPGMHZRHJHBL-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181378 193039081 /nfs/dbraw/zinc/03/90/81/193039081.db2.gz IVYRUNFRZGTOPN-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177013 193039472 /nfs/dbraw/zinc/03/94/72/193039472.db2.gz SBCWHPPFBJVITQ-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177011 193040638 /nfs/dbraw/zinc/04/06/38/193040638.db2.gz SBCWHPPFBJVITQ-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188197 193041653 /nfs/dbraw/zinc/04/16/53/193041653.db2.gz UJDKMVHJNLJKOD-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1=CCCOC1)C1CC1 ZINC000379779706 365255625 /nfs/dbraw/zinc/25/56/25/365255625.db2.gz WHHQCCREYXVIAY-CYBMUJFWSA-N 2 1 240.347 0.378 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1=CCCOC1)C1CC1 ZINC000379779706 365255629 /nfs/dbraw/zinc/25/56/29/365255629.db2.gz WHHQCCREYXVIAY-CYBMUJFWSA-N 2 1 240.347 0.378 20 0 BCADMP Cc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000379866912 365330502 /nfs/dbraw/zinc/33/05/02/365330502.db2.gz UALZLENSKZCFLW-PHIMTYICSA-N 2 1 236.319 0.809 20 0 BCADMP Cc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000379866912 365330510 /nfs/dbraw/zinc/33/05/10/365330510.db2.gz UALZLENSKZCFLW-PHIMTYICSA-N 2 1 236.319 0.809 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000336724910 365364555 /nfs/dbraw/zinc/36/45/55/365364555.db2.gz ZNVVDIWBOIXQPE-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP CC(C)[C@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000575868745 365396363 /nfs/dbraw/zinc/39/63/63/365396363.db2.gz KLPFCMOZVWIHHS-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000575868745 365396366 /nfs/dbraw/zinc/39/63/66/365396366.db2.gz KLPFCMOZVWIHHS-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)C1C[NH2+]C1 ZINC000579593679 366896722 /nfs/dbraw/zinc/89/67/22/366896722.db2.gz DFDKQCROGCZHNQ-ONGXEEELSA-N 2 1 239.363 0.583 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602892 366901104 /nfs/dbraw/zinc/90/11/04/366901104.db2.gz XHGMVVNSVTXQRM-NEPJUHHUSA-N 3 1 229.368 0.018 20 0 BCADMP CNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156091799 541485365 /nfs/dbraw/zinc/48/53/65/541485365.db2.gz DNJMYYOWMSOZPY-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP [NH3+]CC1(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000579946912 367096349 /nfs/dbraw/zinc/09/63/49/367096349.db2.gz FXZZVEQVJLRCHT-QMMMGPOBSA-N 2 1 247.289 0.181 20 0 BCADMP NC1(C[NH2+]CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000580834738 367182188 /nfs/dbraw/zinc/18/21/88/367182188.db2.gz VMDUEASOPBZJSO-NSHDSACASA-N 2 1 211.353 0.847 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000580773536 367162880 /nfs/dbraw/zinc/16/28/80/367162880.db2.gz OIRAMAHZMOTASU-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021520 367239566 /nfs/dbraw/zinc/23/95/66/367239566.db2.gz YIEIOKLVCLHYCZ-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000581304665 367334110 /nfs/dbraw/zinc/33/41/10/367334110.db2.gz WJSMWTVIFCZLJR-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381063513 367345861 /nfs/dbraw/zinc/34/58/61/367345861.db2.gz LWBHNMZSBUWMEY-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H](O)CN(C)CC ZINC000381105006 367350460 /nfs/dbraw/zinc/35/04/60/367350460.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[N@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000381105006 367350478 /nfs/dbraw/zinc/35/04/78/367350478.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000381105006 367350482 /nfs/dbraw/zinc/35/04/82/367350482.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[NH+](CCO)C[C@H](O)C[N@H+](C)CC ZINC000381105006 367350487 /nfs/dbraw/zinc/35/04/87/367350487.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[NH+](CCO)C[C@H](O)C[N@@H+](C)CC ZINC000381105006 367350492 /nfs/dbraw/zinc/35/04/92/367350492.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000381317798 367379746 /nfs/dbraw/zinc/37/97/46/367379746.db2.gz NQSLFPYWRNOUCG-IUCAKERBSA-N 2 1 231.365 0.283 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000381317796 367379753 /nfs/dbraw/zinc/37/97/53/367379753.db2.gz NQSLFPYWRNOUCG-BDAKNGLRSA-N 2 1 231.365 0.283 20 0 BCADMP [NH3+]Cc1nc(C(=O)N[C@H](C[NH3+])C2CC2)cs1 ZINC000581428268 367466653 /nfs/dbraw/zinc/46/66/53/367466653.db2.gz TXWITQPWSLVCOJ-SSDOTTSWSA-N 2 1 240.332 0.069 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000581437603 367471053 /nfs/dbraw/zinc/47/10/53/367471053.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000581437603 367471055 /nfs/dbraw/zinc/47/10/55/367471055.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000581437603 367471058 /nfs/dbraw/zinc/47/10/58/367471058.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 2 1 243.395 0.323 20 0 BCADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])C(C)C)n1 ZINC000381742811 367453000 /nfs/dbraw/zinc/45/30/00/367453000.db2.gz PHUCHVXZQRFHQE-APPZFPTMSA-N 2 1 212.297 0.876 20 0 BCADMP C[C@@H]1CC[N@H+](CCN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000381780569 367456370 /nfs/dbraw/zinc/45/63/70/367456370.db2.gz XUUJTEFXQZDBDX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000381780569 367456378 /nfs/dbraw/zinc/45/63/78/367456378.db2.gz XUUJTEFXQZDBDX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000381780569 367456381 /nfs/dbraw/zinc/45/63/81/367456381.db2.gz XUUJTEFXQZDBDX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000381780569 367456387 /nfs/dbraw/zinc/45/63/87/367456387.db2.gz XUUJTEFXQZDBDX-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000382571533 367541848 /nfs/dbraw/zinc/54/18/48/367541848.db2.gz RNDYNHWBRONDMU-FDYHWXHSSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000382977710 367578745 /nfs/dbraw/zinc/57/87/45/367578745.db2.gz SWCDEXBAGJMIPD-LLVKDONJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000383141368 367600506 /nfs/dbraw/zinc/60/05/06/367600506.db2.gz JXOAGOQXEVHOCN-GXSJLCMTSA-N 2 1 237.347 0.480 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000383856866 367655675 /nfs/dbraw/zinc/65/56/75/367655675.db2.gz NBWRRNCLMUHCQT-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000383856866 367655682 /nfs/dbraw/zinc/65/56/82/367655682.db2.gz NBWRRNCLMUHCQT-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000384040519 367669209 /nfs/dbraw/zinc/66/92/09/367669209.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 1 246.395 0.903 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000384742965 367725665 /nfs/dbraw/zinc/72/56/65/367725665.db2.gz GRDFLUKDOXWYNL-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)CCCCO ZINC000384792934 367733362 /nfs/dbraw/zinc/73/33/62/367733362.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CCCCO ZINC000384792934 367733367 /nfs/dbraw/zinc/73/33/67/367733367.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCCO ZINC000384792934 367733373 /nfs/dbraw/zinc/73/33/73/367733373.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCCO ZINC000384792934 367733379 /nfs/dbraw/zinc/73/33/79/367733379.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCCO ZINC000384792934 367733383 /nfs/dbraw/zinc/73/33/83/367733383.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCCO ZINC000384792934 367733386 /nfs/dbraw/zinc/73/33/86/367733386.db2.gz YZCQEGKHUKFKTA-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384838400 367740079 /nfs/dbraw/zinc/74/00/79/367740079.db2.gz RDHXDUXEUCMUJA-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000385966757 367891077 /nfs/dbraw/zinc/89/10/77/367891077.db2.gz ZPURBSAZQSWYAJ-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000385966757 367891085 /nfs/dbraw/zinc/89/10/85/367891085.db2.gz ZPURBSAZQSWYAJ-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386533416 367986742 /nfs/dbraw/zinc/98/67/42/367986742.db2.gz BBPWGTOLLKOWKM-IJLUTSLNSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386482663 367980123 /nfs/dbraw/zinc/98/01/23/367980123.db2.gz SIHODQYCDHWVOF-UPJWGTAASA-N 2 1 244.379 0.894 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)[C@@H]1CC[NH2+]C1 ZINC000566797196 326083773 /nfs/dbraw/zinc/08/37/73/326083773.db2.gz ZDQQJOMPGPMJOA-GFCCVEGCSA-N 2 1 222.336 0.875 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796797 326083661 /nfs/dbraw/zinc/08/36/61/326083661.db2.gz JFUGDBMYCQYBJT-LLVKDONJSA-N 3 1 211.353 0.670 20 0 BCADMP C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCNCC1 ZINC000566796797 326083666 /nfs/dbraw/zinc/08/36/66/326083666.db2.gz JFUGDBMYCQYBJT-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCNCC1 ZINC000566796797 326083668 /nfs/dbraw/zinc/08/36/68/326083668.db2.gz JFUGDBMYCQYBJT-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP c1nnc2n1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000081526632 368606339 /nfs/dbraw/zinc/60/63/39/368606339.db2.gz VRMICTVHOWWGFU-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP c1nnc2n1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000081526632 368606344 /nfs/dbraw/zinc/60/63/44/368606344.db2.gz VRMICTVHOWWGFU-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC[NH2+]CC1 ZINC000090908673 369002835 /nfs/dbraw/zinc/00/28/35/369002835.db2.gz QQMJEEMZUAQSON-BETUJISGSA-N 2 1 239.363 0.145 20 0 BCADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC[NH2+]CC1 ZINC000090908673 369002839 /nfs/dbraw/zinc/00/28/39/369002839.db2.gz QQMJEEMZUAQSON-BETUJISGSA-N 2 1 239.363 0.145 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623661817 369075164 /nfs/dbraw/zinc/07/51/64/369075164.db2.gz DRVICHOOIYLWGY-FIQHERPVSA-N 2 1 237.347 0.467 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623661818 369075234 /nfs/dbraw/zinc/07/52/34/369075234.db2.gz DRVICHOOIYLWGY-KKOKHZNYSA-N 2 1 237.347 0.467 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000310410437 326192066 /nfs/dbraw/zinc/19/20/66/326192066.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP NC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107576595 369353863 /nfs/dbraw/zinc/35/38/63/369353863.db2.gz HNYFRPUJVGXLMN-CHWSQXEVSA-N 2 1 245.326 0.437 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000631841760 369357981 /nfs/dbraw/zinc/35/79/81/369357981.db2.gz PHODGROSMMTJIE-ZWNOBZJWSA-N 2 1 247.342 0.812 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000619898153 369630640 /nfs/dbraw/zinc/63/06/40/369630640.db2.gz FBSTYSGTGDGQNZ-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000619898153 369630643 /nfs/dbraw/zinc/63/06/43/369630643.db2.gz FBSTYSGTGDGQNZ-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000619898153 369630644 /nfs/dbraw/zinc/63/06/44/369630644.db2.gz FBSTYSGTGDGQNZ-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC000619898832 369630715 /nfs/dbraw/zinc/63/07/15/369630715.db2.gz LSLGPJQONQFTNR-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000619898832 369630718 /nfs/dbraw/zinc/63/07/18/369630718.db2.gz LSLGPJQONQFTNR-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619898832 369630721 /nfs/dbraw/zinc/63/07/21/369630721.db2.gz LSLGPJQONQFTNR-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000568050900 326300297 /nfs/dbraw/zinc/30/02/97/326300297.db2.gz MQIQICZAOQIRCG-GHMZBOCLSA-N 2 1 202.342 0.935 20 0 BCADMP C[C@@H](NC(=O)[C@H]1CCCN1C)c1nccn1C ZINC000620599541 369949209 /nfs/dbraw/zinc/94/92/09/369949209.db2.gz GDXSMKIDQXGCLB-NXEZZACHSA-N 2 1 236.319 0.692 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH2+]C)C1 ZINC000252639637 370104111 /nfs/dbraw/zinc/10/41/11/370104111.db2.gz KAIIBRQMMZTUKS-GHMZBOCLSA-N 2 1 227.352 0.300 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644858 370105608 /nfs/dbraw/zinc/10/56/08/370105608.db2.gz PKPCVGPWLQINQB-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000252671480 370110014 /nfs/dbraw/zinc/11/00/14/370110014.db2.gz VXAYLOZXHBEMTR-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171638 370155347 /nfs/dbraw/zinc/15/53/47/370155347.db2.gz JADMSRAGWPDHEP-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000253182668 370158269 /nfs/dbraw/zinc/15/82/69/370158269.db2.gz FZPHGTDRPBKYDV-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000253182668 370158272 /nfs/dbraw/zinc/15/82/72/370158272.db2.gz FZPHGTDRPBKYDV-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653963 370414733 /nfs/dbraw/zinc/41/47/33/370414733.db2.gz LVHDFMVPVIDORX-VIFPVBQESA-N 2 1 249.305 0.476 20 0 BCADMP CCn1nccc1CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000621774321 370519805 /nfs/dbraw/zinc/51/98/05/370519805.db2.gz QRKVASFLBJTMJZ-LBPRGKRZSA-N 2 1 236.363 0.987 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000114400266 370557691 /nfs/dbraw/zinc/55/76/91/370557691.db2.gz CXBNLFOOUBVIHR-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CCN(C[C@H]2C[NH2+]CCO2)C(C)(C)C1 ZINC000621776753 370525352 /nfs/dbraw/zinc/52/53/52/370525352.db2.gz VQXWYTITPMDLPD-LLVKDONJSA-N 2 1 227.352 0.001 20 0 BCADMP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784409 370535822 /nfs/dbraw/zinc/53/58/22/370535822.db2.gz OLMUOBLAWVARIM-JBLDHEPKSA-N 2 1 223.320 0.030 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784409 370535829 /nfs/dbraw/zinc/53/58/29/370535829.db2.gz OLMUOBLAWVARIM-JBLDHEPKSA-N 2 1 223.320 0.030 20 0 BCADMP CN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784412 370535901 /nfs/dbraw/zinc/53/59/01/370535901.db2.gz OLMUOBLAWVARIM-SCVCMEIPSA-N 2 1 223.320 0.030 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784412 370535906 /nfs/dbraw/zinc/53/59/06/370535906.db2.gz OLMUOBLAWVARIM-SCVCMEIPSA-N 2 1 223.320 0.030 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000568529095 326363450 /nfs/dbraw/zinc/36/34/50/326363450.db2.gz CCYXSIKFCYSACT-SRVKXCTJSA-N 2 1 241.379 0.783 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000568499516 326359723 /nfs/dbraw/zinc/35/97/23/326359723.db2.gz KKJXHBNNHPUOGS-UTUOFQBUSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[C@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000631880001 370615776 /nfs/dbraw/zinc/61/57/76/370615776.db2.gz KVOJENOZTHFNNP-CHWSQXEVSA-N 2 1 241.379 0.247 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624129534 371330537 /nfs/dbraw/zinc/33/05/37/371330537.db2.gz PTTBNOIXHHYVER-HOMQSWHASA-N 2 1 225.336 0.324 20 0 BCADMP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624215484 371403043 /nfs/dbraw/zinc/40/30/43/371403043.db2.gz NCQJNMGZOFKZQY-GSJFWJNXSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1C[C@@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228537 371416621 /nfs/dbraw/zinc/41/66/21/371416621.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@@H](NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228537 371416627 /nfs/dbraw/zinc/41/66/27/371416627.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@@H](NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228537 371416634 /nfs/dbraw/zinc/41/66/34/371416634.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 1 241.379 0.125 20 0 BCADMP Cc1cncn1CC(=O)NCC[N@H+](C)C1CC1 ZINC000624597919 371549409 /nfs/dbraw/zinc/54/94/09/371549409.db2.gz AEUMCOWNDYXRMB-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)C1CC1 ZINC000624597919 371549419 /nfs/dbraw/zinc/54/94/19/371549419.db2.gz AEUMCOWNDYXRMB-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC(C)(C)C[NH+](C)C ZINC000627705100 371865980 /nfs/dbraw/zinc/86/59/80/371865980.db2.gz AOVFMZLMCBJQIE-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631219169 372241831 /nfs/dbraw/zinc/24/18/31/372241831.db2.gz LUZSLZYYOJRCLK-VIFPVBQESA-N 2 1 222.279 0.686 20 0 BCADMP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000171189644 372440558 /nfs/dbraw/zinc/44/05/58/372440558.db2.gz HTNSMSOZLZPUPD-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000171189644 372440566 /nfs/dbraw/zinc/44/05/66/372440566.db2.gz HTNSMSOZLZPUPD-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631824064 372589162 /nfs/dbraw/zinc/58/91/62/372589162.db2.gz VDIDRTMDJUPMAL-MWLCHTKSSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631824064 372589167 /nfs/dbraw/zinc/58/91/67/372589167.db2.gz VDIDRTMDJUPMAL-MWLCHTKSSA-N 2 1 220.320 0.954 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821146 372594976 /nfs/dbraw/zinc/59/49/76/372594976.db2.gz QHQIJVNBDSIJPD-NWDGAFQWSA-N 2 1 249.362 0.697 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827560 372607988 /nfs/dbraw/zinc/60/79/88/372607988.db2.gz QKJJMZPPDHETDZ-VHSXEESVSA-N 2 1 237.351 0.728 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000631828820 372609726 /nfs/dbraw/zinc/60/97/26/372609726.db2.gz ZBQAKURCDQBBTH-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000631829622 372610316 /nfs/dbraw/zinc/61/03/16/372610316.db2.gz WHYUPSGIEMQMJQ-UZEXVOJHSA-N 2 1 210.321 0.835 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000631830094 372612958 /nfs/dbraw/zinc/61/29/58/372612958.db2.gz JCZFTHDIFCSRCP-LBPRGKRZSA-N 2 1 230.352 0.723 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000631830039 372613156 /nfs/dbraw/zinc/61/31/56/372613156.db2.gz HWNIDJOIWQNUKJ-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631837012 372625789 /nfs/dbraw/zinc/62/57/89/372625789.db2.gz LMGQVIOSZUEUMK-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836760 372625830 /nfs/dbraw/zinc/62/58/30/372625830.db2.gz GKUSJRHXGZINKJ-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836760 372625833 /nfs/dbraw/zinc/62/58/33/372625833.db2.gz GKUSJRHXGZINKJ-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838035 372632261 /nfs/dbraw/zinc/63/22/61/372632261.db2.gz YVHGLLKMGYTBIX-GMTAPVOTSA-N 2 1 235.335 0.292 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000631840842 372638213 /nfs/dbraw/zinc/63/82/13/372638213.db2.gz FYWZKVBBVHYNOX-ZWNOBZJWSA-N 2 1 247.342 0.812 20 0 BCADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000631840928 372639382 /nfs/dbraw/zinc/63/93/82/372639382.db2.gz WLJAPOPKXDLGOX-GMTAPVOTSA-N 2 1 248.392 0.194 20 0 BCADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000631840928 372639389 /nfs/dbraw/zinc/63/93/89/372639389.db2.gz WLJAPOPKXDLGOX-GMTAPVOTSA-N 2 1 248.392 0.194 20 0 BCADMP OCC[NH2+]C1CC[NH+](CCCF)CC1 ZINC000631862814 372665435 /nfs/dbraw/zinc/66/54/35/372665435.db2.gz OCPNHTVEHBROOU-UHFFFAOYSA-N 2 1 204.289 0.392 20 0 BCADMP FC(F)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000631865829 372666332 /nfs/dbraw/zinc/66/63/32/372666332.db2.gz POLFHJPCRYKJKR-NXEZZACHSA-N 2 1 234.290 0.952 20 0 BCADMP FC(F)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000631865829 372666336 /nfs/dbraw/zinc/66/63/36/372666336.db2.gz POLFHJPCRYKJKR-NXEZZACHSA-N 2 1 234.290 0.952 20 0 BCADMP c1nc2n(n1)[C@@H](C[NH2+][C@]13CCC[C@@H]1C[NH2+]C3)CC2 ZINC000631866959 372668530 /nfs/dbraw/zinc/66/85/30/372668530.db2.gz FCGMCXYULPDVLP-WZRBSPASSA-N 2 1 247.346 0.497 20 0 BCADMP C(N[C@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000631868062 372671108 /nfs/dbraw/zinc/67/11/08/372671108.db2.gz VGIKBUIJGLSDKN-OLZOCXBDSA-N 2 1 223.364 0.718 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887891 372681561 /nfs/dbraw/zinc/68/15/61/372681561.db2.gz RJACDIWHNFYIIT-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887887 372682268 /nfs/dbraw/zinc/68/22/68/372682268.db2.gz RJACDIWHNFYIIT-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890738 372686928 /nfs/dbraw/zinc/68/69/28/372686928.db2.gz SOSOXQACWWPQPL-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890738 372686935 /nfs/dbraw/zinc/68/69/35/372686935.db2.gz SOSOXQACWWPQPL-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC([NH+](C)C)C2)CC[N@H+]1C ZINC000632191338 372800800 /nfs/dbraw/zinc/80/08/00/372800800.db2.gz AQJZPCQKVURZRF-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CCCCOCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000040507194 373371003 /nfs/dbraw/zinc/37/10/03/373371003.db2.gz ZWSPTCQWVUAWAO-ZDUSSCGKSA-N 2 1 244.379 0.849 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300634 374127496 /nfs/dbraw/zinc/12/74/96/374127496.db2.gz FZPOEWIRTZXUAB-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000634300866 374129626 /nfs/dbraw/zinc/12/96/26/374129626.db2.gz NPHPSUDSRJJCEY-GHMZBOCLSA-N 2 1 225.336 0.147 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000376528232 182303985 /nfs/dbraw/zinc/30/39/85/182303985.db2.gz UYYBDYOBHBEKIG-UTUOFQBUSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000376528229 182304092 /nfs/dbraw/zinc/30/40/92/182304092.db2.gz UYYBDYOBHBEKIG-IJLUTSLNSA-N 2 1 237.347 0.339 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000167203741 206145531 /nfs/dbraw/zinc/14/55/31/206145531.db2.gz DAXBNQNQVBASEB-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CCOCC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309396044 170389403 /nfs/dbraw/zinc/38/94/03/170389403.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP OCC[NH+]1CCCC2(CCC[N@@H+](CCO)C2)C1 ZINC000368075920 183073268 /nfs/dbraw/zinc/07/32/68/183073268.db2.gz SGLOKNKGMGCJFC-UHFFFAOYSA-N 2 1 242.363 0.149 20 0 BCADMP OCC[NH+]1CCCC2(CCC[N@H+](CCO)C2)C1 ZINC000368075920 183073271 /nfs/dbraw/zinc/07/32/71/183073271.db2.gz SGLOKNKGMGCJFC-UHFFFAOYSA-N 2 1 242.363 0.149 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CCC)CC1 ZINC000359242248 169067598 /nfs/dbraw/zinc/06/75/98/169067598.db2.gz HMHAXVURFCFFDK-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCC)CC1 ZINC000359242248 169067600 /nfs/dbraw/zinc/06/76/00/169067600.db2.gz HMHAXVURFCFFDK-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](C)CC1 ZINC000355475033 169068966 /nfs/dbraw/zinc/06/89/66/169068966.db2.gz SZQXMZKVIAOBMH-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](C)CC1 ZINC000355475033 169068970 /nfs/dbraw/zinc/06/89/70/169068970.db2.gz SZQXMZKVIAOBMH-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000355475033 169068972 /nfs/dbraw/zinc/06/89/72/169068972.db2.gz SZQXMZKVIAOBMH-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000359314623 169070030 /nfs/dbraw/zinc/07/00/30/169070030.db2.gz DPUDZCJBNXGBBO-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000358598465 169071210 /nfs/dbraw/zinc/07/12/10/169071210.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)C1CC1 ZINC000358598465 169071213 /nfs/dbraw/zinc/07/12/13/169071213.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000358598465 169071215 /nfs/dbraw/zinc/07/12/15/169071215.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C ZINC000359244593 169072102 /nfs/dbraw/zinc/07/21/02/169072102.db2.gz RBFHUESDKOURJA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000359244593 169072104 /nfs/dbraw/zinc/07/21/04/169072104.db2.gz RBFHUESDKOURJA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000359244593 169072105 /nfs/dbraw/zinc/07/21/05/169072105.db2.gz RBFHUESDKOURJA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC ZINC000358939837 169073488 /nfs/dbraw/zinc/07/34/88/169073488.db2.gz UQHAEWXXHGBWRA-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357421225 169075857 /nfs/dbraw/zinc/07/58/57/169075857.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357421225 169075859 /nfs/dbraw/zinc/07/58/59/169075859.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357421225 169075861 /nfs/dbraw/zinc/07/58/61/169075861.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357238595 169078205 /nfs/dbraw/zinc/07/82/05/169078205.db2.gz ILCCHCOJVXXCHK-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000309616760 169065933 /nfs/dbraw/zinc/06/59/33/169065933.db2.gz OACSLOMRDDYWHT-VIFPVBQESA-N 2 1 201.314 0.134 20 0 BCADMP CCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336679243 169079694 /nfs/dbraw/zinc/07/96/94/169079694.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336679243 169079695 /nfs/dbraw/zinc/07/96/95/169079695.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336679243 169079696 /nfs/dbraw/zinc/07/96/96/169079696.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336679243 169079698 /nfs/dbraw/zinc/07/96/98/169079698.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000043493602 169093817 /nfs/dbraw/zinc/09/38/17/169093817.db2.gz QTXYPQPAGXXUHB-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000043493602 169093819 /nfs/dbraw/zinc/09/38/19/169093819.db2.gz QTXYPQPAGXXUHB-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH2+]CC1CC1 ZINC000226407534 169120350 /nfs/dbraw/zinc/12/03/50/169120350.db2.gz VHTQPWHUULHSFY-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130889112 169120511 /nfs/dbraw/zinc/12/05/11/169120511.db2.gz HXSHDZUNMOAIBS-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000378204441 169123796 /nfs/dbraw/zinc/12/37/96/169123796.db2.gz WDTBOHHRSFKGGJ-LBPRGKRZSA-N 2 1 245.342 0.536 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000359782344 169125216 /nfs/dbraw/zinc/12/52/16/169125216.db2.gz GENJFNXKYBSEEY-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919245 169171254 /nfs/dbraw/zinc/17/12/54/169171254.db2.gz CJBRIPNVBFOVLM-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799141 169193734 /nfs/dbraw/zinc/19/37/34/169193734.db2.gz HGEUDIAFGWLZTP-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337324316 169194352 /nfs/dbraw/zinc/19/43/52/169194352.db2.gz UHWWJSCBPAYOMH-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337324316 169194355 /nfs/dbraw/zinc/19/43/55/169194355.db2.gz UHWWJSCBPAYOMH-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236763757 169195227 /nfs/dbraw/zinc/19/52/27/169195227.db2.gz QHJDCFCQQPSESD-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950052 169198271 /nfs/dbraw/zinc/19/82/71/169198271.db2.gz WKZMQCXPNKMQBO-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236765772 169199034 /nfs/dbraw/zinc/19/90/34/169199034.db2.gz XSLKXFQHIOBEPQ-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236766306 169200097 /nfs/dbraw/zinc/20/00/97/169200097.db2.gz YSRAZLGDMHHHJJ-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000338273497 169201087 /nfs/dbraw/zinc/20/10/87/169201087.db2.gz FWAWOLUDIGJHRX-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360165256 169217205 /nfs/dbraw/zinc/21/72/05/169217205.db2.gz KVSHXDRMWGRKIG-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366557478 169222385 /nfs/dbraw/zinc/22/23/85/169222385.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074297 169240797 /nfs/dbraw/zinc/24/07/97/169240797.db2.gz KJOIJGQWUCKJRC-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295281 169246646 /nfs/dbraw/zinc/24/66/46/169246646.db2.gz KJOIJGQWUCKJRC-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000178818600 134315521 /nfs/dbraw/zinc/31/55/21/134315521.db2.gz VTEVNAGCTAXDQD-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735210 535450834 /nfs/dbraw/zinc/45/08/34/535450834.db2.gz KYHCMEQZAAJGIY-ZJUUUORDSA-N 2 1 215.341 0.556 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735210 535450839 /nfs/dbraw/zinc/45/08/39/535450839.db2.gz KYHCMEQZAAJGIY-ZJUUUORDSA-N 2 1 215.341 0.556 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCO)[C@@H](C)C1 ZINC000221702582 134326166 /nfs/dbraw/zinc/32/61/66/134326166.db2.gz UWJLOANLYIIQCE-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673764 169452681 /nfs/dbraw/zinc/45/26/81/169452681.db2.gz KQCICCNIEJTDAY-CMPLNLGQSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124607 383842691 /nfs/dbraw/zinc/84/26/91/383842691.db2.gz AAOWLZRTOJKGFQ-UTLUCORTSA-N 2 1 243.376 0.235 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000449326001 383861281 /nfs/dbraw/zinc/86/12/81/383861281.db2.gz RJMYASGTQBVNIK-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+][C@H]1CCN(CCc2c[nH+]cn2C)C1 ZINC000401726688 383862875 /nfs/dbraw/zinc/86/28/75/383862875.db2.gz MASRLSHRYUICOC-JTQLQIEISA-N 2 1 208.309 0.256 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812660 383863081 /nfs/dbraw/zinc/86/30/81/383863081.db2.gz KKPQCLFVBATCJJ-DGCLKSJQSA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000643542293 383959786 /nfs/dbraw/zinc/95/97/86/383959786.db2.gz YRAUPFOTBVKHOO-STQMWFEESA-N 2 1 225.380 0.914 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](C)[NH3+] ZINC000394296554 383971097 /nfs/dbraw/zinc/97/10/97/383971097.db2.gz QPVMHNRUQIBAEF-TUAOUCFPSA-N 2 1 211.353 0.892 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946071 383972677 /nfs/dbraw/zinc/97/26/77/383972677.db2.gz ZCHMETFJKSZINN-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357237276 383972754 /nfs/dbraw/zinc/97/27/54/383972754.db2.gz FLJVPDBLBPMSSG-MNOVXSKESA-N 2 1 227.352 0.381 20 0 BCADMP Cc1n[nH]cc1CNC[C@@H]1CCC[N@H+]1C ZINC000221143540 383976495 /nfs/dbraw/zinc/97/64/95/383976495.db2.gz QMCZDVHFYSHNAA-NSHDSACASA-N 2 1 208.309 0.902 20 0 BCADMP Cc1n[nH]cc1CNC[C@@H]1CCC[N@@H+]1C ZINC000221143540 383976500 /nfs/dbraw/zinc/97/65/00/383976500.db2.gz QMCZDVHFYSHNAA-NSHDSACASA-N 2 1 208.309 0.902 20 0 BCADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C2CC2)CC1 ZINC000335876416 384053888 /nfs/dbraw/zinc/05/38/88/384053888.db2.gz VNZWNSYIUZSUCS-OCCSQVGLSA-N 2 1 249.358 0.293 20 0 BCADMP C[N@@H+](C[C@H](O)CNC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000310226252 384127993 /nfs/dbraw/zinc/12/79/93/384127993.db2.gz GVPFZPCPERZOSH-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CNC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000310226252 384127997 /nfs/dbraw/zinc/12/79/97/384127997.db2.gz GVPFZPCPERZOSH-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CNC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000310226252 384128005 /nfs/dbraw/zinc/12/80/05/384128005.db2.gz GVPFZPCPERZOSH-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000237400497 384172013 /nfs/dbraw/zinc/17/20/13/384172013.db2.gz YYUZBYGLQPNPIQ-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648139979 384169452 /nfs/dbraw/zinc/16/94/52/384169452.db2.gz WMOFRLMOXKJCJW-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163233038 384184582 /nfs/dbraw/zinc/18/45/82/384184582.db2.gz WFMGPJIAHQXTBX-GWCFXTLKSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H](C(=O)N(C)C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599575 384206101 /nfs/dbraw/zinc/20/61/01/384206101.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+](C)CC(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000173520734 384226168 /nfs/dbraw/zinc/22/61/68/384226168.db2.gz ZFPFIOYQHAHMGY-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000235484373 384249797 /nfs/dbraw/zinc/24/97/97/384249797.db2.gz KKKUIRQKPRMSLH-UTLUCORTSA-N 2 1 227.352 0.569 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000173913623 384285463 /nfs/dbraw/zinc/28/54/63/384285463.db2.gz ILFKHOGIQBLRGP-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000173913623 384285470 /nfs/dbraw/zinc/28/54/70/384285470.db2.gz ILFKHOGIQBLRGP-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000173913623 384285474 /nfs/dbraw/zinc/28/54/74/384285474.db2.gz ILFKHOGIQBLRGP-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000173913623 384285480 /nfs/dbraw/zinc/28/54/80/384285480.db2.gz ILFKHOGIQBLRGP-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C ZINC000083399863 384295090 /nfs/dbraw/zinc/29/50/90/384295090.db2.gz HGFOOIWMVOACOV-WDEREUQCSA-N 2 1 218.341 0.170 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506563 384297208 /nfs/dbraw/zinc/29/72/08/384297208.db2.gz RZLBQRHDAKBCBF-LPWJVIDDSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506563 384297211 /nfs/dbraw/zinc/29/72/11/384297211.db2.gz RZLBQRHDAKBCBF-LPWJVIDDSA-N 3 1 241.379 0.423 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000188132264 384362671 /nfs/dbraw/zinc/36/26/71/384362671.db2.gz UHEKSOULXSBZRP-UHFFFAOYSA-N 2 1 225.292 0.420 20 0 BCADMP CNCc1noc(-c2ccc(CN)o2)n1 ZINC000647172747 384427154 /nfs/dbraw/zinc/42/71/54/384427154.db2.gz HOCOSZFDWOEJEO-UHFFFAOYSA-N 2 1 208.221 0.508 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703012 384389243 /nfs/dbraw/zinc/38/92/43/384389243.db2.gz ZQQOSEASRYKMAS-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983188 384445829 /nfs/dbraw/zinc/44/58/29/384445829.db2.gz FXERRLMPWAGLDD-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C(C)C)C1COC1 ZINC000566425956 384447505 /nfs/dbraw/zinc/44/75/05/384447505.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)[NH3+] ZINC000648145427 384448524 /nfs/dbraw/zinc/44/85/24/384448524.db2.gz ROEUPIVLLDFJLA-SGIHWFKDSA-N 2 1 213.325 0.179 20 0 BCADMP C(C[N@H+]1CCC2(CCC2)C1)N1CC[NH2+]CC1 ZINC000335662546 384469945 /nfs/dbraw/zinc/46/99/45/384469945.db2.gz GONRDLLBAAIIGU-UHFFFAOYSA-N 2 1 223.364 0.768 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000569595762 384486121 /nfs/dbraw/zinc/48/61/21/384486121.db2.gz UXUHOSPDLBXANO-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCO)C1 ZINC000304287090 384511705 /nfs/dbraw/zinc/51/17/05/384511705.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCO)C1 ZINC000304287090 384511710 /nfs/dbraw/zinc/51/17/10/384511710.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCO)C1 ZINC000304287090 384511716 /nfs/dbraw/zinc/51/17/16/384511716.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000161854097 384535347 /nfs/dbraw/zinc/53/53/47/384535347.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 2 1 222.336 0.767 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000569605692 384524970 /nfs/dbraw/zinc/52/49/70/384524970.db2.gz PFENRCJMIBRCSD-WRWGMCAJSA-N 3 1 211.353 0.986 20 0 BCADMP C[C@@H](C(N)=O)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249916168 384530872 /nfs/dbraw/zinc/53/08/72/384530872.db2.gz XLCALYBHJHNVCN-QWRGUYRKSA-N 2 1 248.330 0.689 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236649642 384544039 /nfs/dbraw/zinc/54/40/39/384544039.db2.gz HZIGRUMUGIONRQ-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C ZINC000236753624 384571639 /nfs/dbraw/zinc/57/16/39/384571639.db2.gz QMXKXSXFAPIASS-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124170 384577424 /nfs/dbraw/zinc/57/74/24/384577424.db2.gz UJHLXTSLQCIDNS-RVMXOQNASA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124170 384577429 /nfs/dbraw/zinc/57/74/29/384577429.db2.gz UJHLXTSLQCIDNS-RVMXOQNASA-N 2 1 224.348 0.830 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000306067012 384567892 /nfs/dbraw/zinc/56/78/92/384567892.db2.gz YYWMKFXGOAGNRW-WDEREUQCSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000643077510 384604457 /nfs/dbraw/zinc/60/44/57/384604457.db2.gz KUKSTWUAVQSLLC-UHIISALHSA-N 2 1 249.358 0.861 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@H](C)O)CC1 ZINC000171631528 384616984 /nfs/dbraw/zinc/61/69/84/384616984.db2.gz PBKCGRPTIIFBKS-JTQLQIEISA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631526 384617728 /nfs/dbraw/zinc/61/77/28/384617728.db2.gz PBKCGRPTIIFBKS-SNVBAGLBSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC000309843563 384664456 /nfs/dbraw/zinc/66/44/56/384664456.db2.gz FIYJHYBVUWFGMK-PWSUYJOCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC000309843563 384664462 /nfs/dbraw/zinc/66/44/62/384664462.db2.gz FIYJHYBVUWFGMK-PWSUYJOCSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538498 384668869 /nfs/dbraw/zinc/66/88/69/384668869.db2.gz VNUKFGKOJBGBLN-NWDGAFQWSA-N 2 1 235.335 0.525 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000104418515 384684502 /nfs/dbraw/zinc/68/45/02/384684502.db2.gz URIOUKOATVGBCE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000104418515 384684507 /nfs/dbraw/zinc/68/45/07/384684507.db2.gz URIOUKOATVGBCE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086932089 384719808 /nfs/dbraw/zinc/71/98/08/384719808.db2.gz NAUBAUIABXHOLK-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546460 384730091 /nfs/dbraw/zinc/73/00/91/384730091.db2.gz LDZKPNUFNRZDGT-GRYCIOLGSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](NCC(F)(F)C[NH3+])C1 ZINC000647546944 384732700 /nfs/dbraw/zinc/73/27/00/384732700.db2.gz HXOSKRXLNSKYLP-JGVFFNPUSA-N 2 1 207.268 0.168 20 0 BCADMP C1C[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000647546791 384733102 /nfs/dbraw/zinc/73/31/02/384733102.db2.gz BMVSODYCIXCVSY-KXNHARMFSA-N 2 1 209.337 0.326 20 0 BCADMP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC000647546846 384733157 /nfs/dbraw/zinc/73/31/57/384733157.db2.gz DHLZCDWZJQAELI-WUHRBBMRSA-N 3 1 223.364 0.716 20 0 BCADMP C1C[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000647546790 384733296 /nfs/dbraw/zinc/73/32/96/384733296.db2.gz BMVSODYCIXCVSY-KKOKHZNYSA-N 2 1 209.337 0.326 20 0 BCADMP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648177996 384737375 /nfs/dbraw/zinc/73/73/75/384737375.db2.gz GXURUSXXJUOOFK-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547017 384737715 /nfs/dbraw/zinc/73/77/15/384737715.db2.gz KXRBTOQLEMBYIU-NWDGAFQWSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000647549742 384746119 /nfs/dbraw/zinc/74/61/19/384746119.db2.gz OUBAXFKOCVEHIR-AXFHLTTASA-N 2 1 223.324 0.254 20 0 BCADMP C1[C@@H](N[C@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547876 384750244 /nfs/dbraw/zinc/75/02/44/384750244.db2.gz JURPRBZPELXCIE-WDEREUQCSA-N 2 1 209.337 0.470 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325658 384751336 /nfs/dbraw/zinc/75/13/36/384751336.db2.gz FDLNXOYOGRMRAK-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325660 384752552 /nfs/dbraw/zinc/75/25/52/384752552.db2.gz FDLNXOYOGRMRAK-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000108890546 384759384 /nfs/dbraw/zinc/75/93/84/384759384.db2.gz CAOSQGADMNORBA-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP Cc1ccc(NCCCNC(=O)C2([NH3+])CC2)[nH+]c1 ZINC000262706701 384816849 /nfs/dbraw/zinc/81/68/49/384816849.db2.gz MTCHHBNIJQZAOL-UHFFFAOYSA-N 2 1 248.330 0.800 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126977788 384835039 /nfs/dbraw/zinc/83/50/39/384835039.db2.gz MOERWAKBVNUDOM-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000105480556 384782225 /nfs/dbraw/zinc/78/22/25/384782225.db2.gz YQJODKQTHUTKOX-JQWIXIFHSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000105480556 384782230 /nfs/dbraw/zinc/78/22/30/384782230.db2.gz YQJODKQTHUTKOX-JQWIXIFHSA-N 2 1 222.336 0.850 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000101522400 384783913 /nfs/dbraw/zinc/78/39/13/384783913.db2.gz RIVPKMFRIXJODF-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000357083272 384786165 /nfs/dbraw/zinc/78/61/65/384786165.db2.gz OSKDKEPQFXPIEB-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000357083272 384786167 /nfs/dbraw/zinc/78/61/67/384786167.db2.gz OSKDKEPQFXPIEB-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[NH2+]C1 ZINC000335057582 384786492 /nfs/dbraw/zinc/78/64/92/384786492.db2.gz ITNHPRIXWLTERH-WDEREUQCSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006939 384836442 /nfs/dbraw/zinc/83/64/42/384836442.db2.gz CLMOQOKUPDTURS-AXFHLTTASA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006939 384836447 /nfs/dbraw/zinc/83/64/47/384836447.db2.gz CLMOQOKUPDTURS-AXFHLTTASA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)Cn2ccnc2)CC[N@@H+]1C ZINC000557151382 384845544 /nfs/dbraw/zinc/84/55/44/384845544.db2.gz FWCGSVDWFUOLTB-MNOVXSKESA-N 2 1 236.319 0.434 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)Cn2ccnc2)CCN1C ZINC000557151382 384845551 /nfs/dbraw/zinc/84/55/51/384845551.db2.gz FWCGSVDWFUOLTB-MNOVXSKESA-N 2 1 236.319 0.434 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1ccnc1 ZINC000557151383 384846970 /nfs/dbraw/zinc/84/69/70/384846970.db2.gz FWCGSVDWFUOLTB-QWRGUYRKSA-N 2 1 236.319 0.434 20 0 BCADMP C[C@H]1[C@H](C)N(C(=O)Cn2ccnc2)CCN1C ZINC000557151383 384846974 /nfs/dbraw/zinc/84/69/74/384846974.db2.gz FWCGSVDWFUOLTB-QWRGUYRKSA-N 2 1 236.319 0.434 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+]CCC(C)(C)C ZINC000258839506 384949061 /nfs/dbraw/zinc/94/90/61/384949061.db2.gz FANQXTFCZYORMK-NSHDSACASA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000381042249 384897702 /nfs/dbraw/zinc/89/77/02/384897702.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000647603346 384920515 /nfs/dbraw/zinc/92/05/15/384920515.db2.gz RJVYJMIPTYSGHN-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000257744926 384924826 /nfs/dbraw/zinc/92/48/26/384924826.db2.gz DQVWIRSTXWFLEH-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP CC(C)[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000257798690 384926971 /nfs/dbraw/zinc/92/69/71/384926971.db2.gz WLMFTTYNVJCTJP-CYBMUJFWSA-N 2 1 225.380 0.916 20 0 BCADMP C[N@@H+](CCNC(=O)c1c[nH+]ccc1N)C1CC1 ZINC000127669648 384929589 /nfs/dbraw/zinc/92/95/89/384929589.db2.gz DTMHYMOXXGCULF-UHFFFAOYSA-N 2 1 234.303 0.488 20 0 BCADMP CC(C)[C@@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257773221 384929804 /nfs/dbraw/zinc/92/98/04/384929804.db2.gz DSKSEXCKEKXRMT-OLZOCXBDSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000257773221 384929812 /nfs/dbraw/zinc/92/98/12/384929812.db2.gz DSKSEXCKEKXRMT-OLZOCXBDSA-N 2 1 225.380 0.916 20 0 BCADMP Cc1ccsc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000258783810 384944171 /nfs/dbraw/zinc/94/41/71/384944171.db2.gz BOOFNQUVEJMHLG-VIFPVBQESA-N 2 1 214.334 0.808 20 0 BCADMP Cc1ccsc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000258783810 384944175 /nfs/dbraw/zinc/94/41/75/384944175.db2.gz BOOFNQUVEJMHLG-VIFPVBQESA-N 2 1 214.334 0.808 20 0 BCADMP COC(=O)[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368312486 384944956 /nfs/dbraw/zinc/94/49/56/384944956.db2.gz MXBJRGRSMFBBRP-YPMHNXCESA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368312486 384944961 /nfs/dbraw/zinc/94/49/61/384944961.db2.gz MXBJRGRSMFBBRP-YPMHNXCESA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368312486 384944966 /nfs/dbraw/zinc/94/49/66/384944966.db2.gz MXBJRGRSMFBBRP-YPMHNXCESA-N 2 1 240.347 0.823 20 0 BCADMP COCC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000177344362 384968928 /nfs/dbraw/zinc/96/89/28/384968928.db2.gz YFSJZYVHHHVOQE-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000557481190 384969712 /nfs/dbraw/zinc/96/97/12/384969712.db2.gz HPFNRPDJCAUFLY-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@H+](CCOCC[NH3+])Cc1ccns1 ZINC000404399515 384979031 /nfs/dbraw/zinc/97/90/31/384979031.db2.gz YZOCBOYXQVMDNT-UHFFFAOYSA-N 2 1 215.322 0.550 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccns1 ZINC000404399515 384979040 /nfs/dbraw/zinc/97/90/40/384979040.db2.gz YZOCBOYXQVMDNT-UHFFFAOYSA-N 2 1 215.322 0.550 20 0 BCADMP CSCC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000156821979 384982883 /nfs/dbraw/zinc/98/28/83/384982883.db2.gz XCAPXYMEASZHJT-LBPRGKRZSA-N 2 1 245.436 0.965 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000647242331 384989965 /nfs/dbraw/zinc/98/99/65/384989965.db2.gz PTWUQQFONNXJED-UMSGYPCISA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000647242331 384989971 /nfs/dbraw/zinc/98/99/71/384989971.db2.gz PTWUQQFONNXJED-UMSGYPCISA-N 2 1 240.347 0.617 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023752 384993527 /nfs/dbraw/zinc/99/35/27/384993527.db2.gz ZAMSGQAZDDQKKC-QJPTWQEYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000129441492 384994844 /nfs/dbraw/zinc/99/48/44/384994844.db2.gz UPXNNKPMEBNTSS-ZJUUUORDSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000226398169 385006757 /nfs/dbraw/zinc/00/67/57/385006757.db2.gz SPFPNKVGJMNQIU-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH3+])CC1)C1CC1 ZINC000226397317 385006943 /nfs/dbraw/zinc/00/69/43/385006943.db2.gz OXMUBNZXAYEXPU-UHFFFAOYSA-N 2 1 211.309 0.078 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000226397920 385009349 /nfs/dbraw/zinc/00/93/49/385009349.db2.gz UCGFBFBULLNBMF-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300876528 385013869 /nfs/dbraw/zinc/01/38/69/385013869.db2.gz NWFKVZRTXYMWLV-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300876528 385013873 /nfs/dbraw/zinc/01/38/73/385013873.db2.gz NWFKVZRTXYMWLV-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000259129751 384961499 /nfs/dbraw/zinc/96/14/99/384961499.db2.gz CVYQAGWWVCZIFG-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404759380 385052741 /nfs/dbraw/zinc/05/27/41/385052741.db2.gz BGPFNZCWDXBBBS-HBNTYKKESA-N 2 1 241.379 0.959 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000377391480 385054207 /nfs/dbraw/zinc/05/42/07/385054207.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000377391480 385054217 /nfs/dbraw/zinc/05/42/17/385054217.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000377391480 385054224 /nfs/dbraw/zinc/05/42/24/385054224.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP C[N@@H+](CCNC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000059931311 385056948 /nfs/dbraw/zinc/05/69/48/385056948.db2.gz RZEIUJLFMXGCSU-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310425423 385058196 /nfs/dbraw/zinc/05/81/96/385058196.db2.gz ZZQQRYXXWAUAGI-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310425423 385058203 /nfs/dbraw/zinc/05/82/03/385058203.db2.gz ZZQQRYXXWAUAGI-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000646937795 385071500 /nfs/dbraw/zinc/07/15/00/385071500.db2.gz SSPBDLUECQIRPY-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310377088 385024757 /nfs/dbraw/zinc/02/47/57/385024757.db2.gz AHQPOVBZARFIIC-QWHCGFSZSA-N 2 1 234.347 0.875 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310377088 385024766 /nfs/dbraw/zinc/02/47/66/385024766.db2.gz AHQPOVBZARFIIC-QWHCGFSZSA-N 2 1 234.347 0.875 20 0 BCADMP C[NH2+]CCSCC[N@@H+]1CCO[C@H](C)C1 ZINC000566183716 385045067 /nfs/dbraw/zinc/04/50/67/385045067.db2.gz UGRPESPLROGXPO-SNVBAGLBSA-N 2 1 218.366 0.660 20 0 BCADMP C[NH2+]CCSCC[N@H+]1CCO[C@H](C)C1 ZINC000566183716 385045071 /nfs/dbraw/zinc/04/50/71/385045071.db2.gz UGRPESPLROGXPO-SNVBAGLBSA-N 2 1 218.366 0.660 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000530836255 385108875 /nfs/dbraw/zinc/10/88/75/385108875.db2.gz NQQUHRLEZOBILZ-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000530836255 385108880 /nfs/dbraw/zinc/10/88/80/385108880.db2.gz NQQUHRLEZOBILZ-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000530836255 385108886 /nfs/dbraw/zinc/10/88/86/385108886.db2.gz NQQUHRLEZOBILZ-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987422 385113079 /nfs/dbraw/zinc/11/30/79/385113079.db2.gz WUAXHUYSCKXTQC-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000246240267 385132776 /nfs/dbraw/zinc/13/27/76/385132776.db2.gz IRJGTILJGFOWAD-JFGNBEQYSA-N 2 1 237.347 0.480 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000566246099 385136074 /nfs/dbraw/zinc/13/60/74/385136074.db2.gz FAROVAAAKHUURM-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000566246099 385136078 /nfs/dbraw/zinc/13/60/78/385136078.db2.gz FAROVAAAKHUURM-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246432 385137457 /nfs/dbraw/zinc/13/74/57/385137457.db2.gz ZYTPYHDDSHWDSH-AGIUHOORSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313012002 385139361 /nfs/dbraw/zinc/13/93/61/385139361.db2.gz ARAGFBGUMUPADO-RYUDHWBXSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313012002 385139365 /nfs/dbraw/zinc/13/93/65/385139365.db2.gz ARAGFBGUMUPADO-RYUDHWBXSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+](Cc1cnc2ccccc2c1)C[C@H](O)C[NH3+] ZINC000310825076 385184067 /nfs/dbraw/zinc/18/40/67/385184067.db2.gz KMZZZBDZVRHGHH-CYBMUJFWSA-N 2 1 245.326 0.986 20 0 BCADMP C[N@H+](Cc1cnc2ccccc2c1)C[C@H](O)C[NH3+] ZINC000310825076 385184070 /nfs/dbraw/zinc/18/40/70/385184070.db2.gz KMZZZBDZVRHGHH-CYBMUJFWSA-N 2 1 245.326 0.986 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647016187 385144248 /nfs/dbraw/zinc/14/42/48/385144248.db2.gz WHRNZIWVYBBRCH-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000246291033 385145221 /nfs/dbraw/zinc/14/52/21/385145221.db2.gz NFQDIYRTZKPSDR-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449753449 385154870 /nfs/dbraw/zinc/15/48/70/385154870.db2.gz OONGJDOESHPJKI-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH2+]CC1 ZINC000020030568 385166323 /nfs/dbraw/zinc/16/63/23/385166323.db2.gz XIRDAGRIIVNBNK-UHFFFAOYSA-N 2 1 236.319 0.438 20 0 BCADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246487224 385170995 /nfs/dbraw/zinc/17/09/95/385170995.db2.gz XBJDOLQEDCXNHU-UTUOFQBUSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CCCC[NH3+])C1 ZINC000647064889 385209221 /nfs/dbraw/zinc/20/92/21/385209221.db2.gz YKUZWXJOJFUUJH-LLVKDONJSA-N 2 1 231.315 0.275 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000107801917 385212529 /nfs/dbraw/zinc/21/25/29/385212529.db2.gz NAHAPTSGXSTWGV-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP CC(C)CCOCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000308855800 385217127 /nfs/dbraw/zinc/21/71/27/385217127.db2.gz PWDMGPXWQRSNHI-LLVKDONJSA-N 2 1 218.341 0.301 20 0 BCADMP CC(C)CCOCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000308855800 385217130 /nfs/dbraw/zinc/21/71/30/385217130.db2.gz PWDMGPXWQRSNHI-LLVKDONJSA-N 2 1 218.341 0.301 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000052171536 385224234 /nfs/dbraw/zinc/22/42/34/385224234.db2.gz XOVWDDAPTKFAQQ-NSHDSACASA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000052171536 385224241 /nfs/dbraw/zinc/22/42/41/385224241.db2.gz XOVWDDAPTKFAQQ-NSHDSACASA-N 2 1 214.309 0.073 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](C)C ZINC000252716537 385226765 /nfs/dbraw/zinc/22/67/65/385226765.db2.gz YSCZKPPXZQUTQB-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356761 385233650 /nfs/dbraw/zinc/23/36/50/385233650.db2.gz JNEJUWQHHRHPLY-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000308897666 385250336 /nfs/dbraw/zinc/25/03/36/385250336.db2.gz AUPYDXNEDIHQSD-QMMMGPOBSA-N 2 1 202.298 0.465 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000308897666 385250344 /nfs/dbraw/zinc/25/03/44/385250344.db2.gz AUPYDXNEDIHQSD-QMMMGPOBSA-N 2 1 202.298 0.465 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@H+]1C ZINC000559872477 385203418 /nfs/dbraw/zinc/20/34/18/385203418.db2.gz YWIUPJCGHNAPEE-RVMXOQNASA-N 2 1 242.363 0.599 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308965947 385317934 /nfs/dbraw/zinc/31/79/34/385317934.db2.gz VPNSDUZXPUMSRP-NXEZZACHSA-N 2 1 218.341 0.312 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490237 385280660 /nfs/dbraw/zinc/28/06/60/385280660.db2.gz HHAPCEPBYBLBHZ-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490236 385282888 /nfs/dbraw/zinc/28/28/88/385282888.db2.gz HHAPCEPBYBLBHZ-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178512783 385294034 /nfs/dbraw/zinc/29/40/34/385294034.db2.gz QWEUZROERBYIPV-ZYHUDNBSSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331625 /nfs/dbraw/zinc/33/16/25/385331625.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 2 1 243.395 0.230 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[NH3+])C1 ZINC000164997651 385334662 /nfs/dbraw/zinc/33/46/62/385334662.db2.gz UJFVDJDDAXPZPY-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CCOC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158064575 385336763 /nfs/dbraw/zinc/33/67/63/385336763.db2.gz QHQGYKRQQMCZLD-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158064575 385336768 /nfs/dbraw/zinc/33/67/68/385336768.db2.gz QHQGYKRQQMCZLD-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158064452 385336978 /nfs/dbraw/zinc/33/69/78/385336978.db2.gz QHQGYKRQQMCZLD-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158064452 385336984 /nfs/dbraw/zinc/33/69/84/385336984.db2.gz QHQGYKRQQMCZLD-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000309011689 385359526 /nfs/dbraw/zinc/35/95/26/385359526.db2.gz SAEWCUNGVXUYQG-NWDGAFQWSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309011689 385359528 /nfs/dbraw/zinc/35/95/28/385359528.db2.gz SAEWCUNGVXUYQG-NWDGAFQWSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309011689 385359530 /nfs/dbraw/zinc/35/95/30/385359530.db2.gz SAEWCUNGVXUYQG-NWDGAFQWSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000309012451 385360952 /nfs/dbraw/zinc/36/09/52/385360952.db2.gz SGZRMGBDFZAQJI-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000309012451 385360953 /nfs/dbraw/zinc/36/09/53/385360953.db2.gz SGZRMGBDFZAQJI-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP CC[NH+](CC)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000309040628 385377557 /nfs/dbraw/zinc/37/75/57/385377557.db2.gz KZYKSHFBPYXIFQ-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000309079951 385400136 /nfs/dbraw/zinc/40/01/36/385400136.db2.gz OECRIKOARXWLPL-JTQLQIEISA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000194950231 385453911 /nfs/dbraw/zinc/45/39/11/385453911.db2.gz SPLBMKMBEFRMAD-LBPRGKRZSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@]1(O)CC[N@@H+](CCCn2ccnc2)C1 ZINC000182819535 385479569 /nfs/dbraw/zinc/47/95/69/385479569.db2.gz OYUMNKZYRMCACU-NSHDSACASA-N 2 1 209.293 0.730 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309204497 385480400 /nfs/dbraw/zinc/48/04/00/385480400.db2.gz AWMXYPZIGFNNQN-VXGBXAGGSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309204497 385480402 /nfs/dbraw/zinc/48/04/02/385480402.db2.gz AWMXYPZIGFNNQN-VXGBXAGGSA-N 2 1 230.352 0.048 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000257669582 385485425 /nfs/dbraw/zinc/48/54/25/385485425.db2.gz GCQDWFSUESXWOW-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000257656433 385487175 /nfs/dbraw/zinc/48/71/75/385487175.db2.gz CKKANVLPXNFTAC-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000257730385 385493021 /nfs/dbraw/zinc/49/30/21/385493021.db2.gz UXUWKXVXBXJDGS-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257685956 385493056 /nfs/dbraw/zinc/49/30/56/385493056.db2.gz KIUXLTNZJTVBRB-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000257753725 385495881 /nfs/dbraw/zinc/49/58/81/385495881.db2.gz ODYWCGRUUZYOQA-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000257754448 385497033 /nfs/dbraw/zinc/49/70/33/385497033.db2.gz QFNCFTBKFHBCOP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cncc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405345269 385507936 /nfs/dbraw/zinc/50/79/36/385507936.db2.gz GCIGPYCNESWPSX-NXEZZACHSA-N 2 1 208.309 0.636 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000206532291 385490357 /nfs/dbraw/zinc/49/03/57/385490357.db2.gz DIDVEVLTDRDBAO-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)c1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643031208 385527314 /nfs/dbraw/zinc/52/73/14/385527314.db2.gz JZPNSXCCAPMIIL-GHMZBOCLSA-N 2 1 247.346 0.731 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364990978 385557265 /nfs/dbraw/zinc/55/72/65/385557265.db2.gz XIVRUYOSRKRUJG-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000309380059 385558136 /nfs/dbraw/zinc/55/81/36/385558136.db2.gz DDQZIUVCBNHYJA-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP C[NH+]1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000336677980 385613127 /nfs/dbraw/zinc/61/31/27/385613127.db2.gz WNPKIUVRDHLVEP-UHFFFAOYSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000647792274 385675595 /nfs/dbraw/zinc/67/55/95/385675595.db2.gz YBVHVSKWWJOHLB-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[N@H+](C/C=C\c1ccccc1)C[C@@H](O)C[NH3+] ZINC000309594082 385718238 /nfs/dbraw/zinc/71/82/38/385718238.db2.gz VSLRXJNUXABNQW-UJZCVKTISA-N 2 1 220.316 0.951 20 0 BCADMP C[N@@H+](C/C=C\c1ccccc1)C[C@@H](O)C[NH3+] ZINC000309594082 385718241 /nfs/dbraw/zinc/71/82/41/385718241.db2.gz VSLRXJNUXABNQW-UJZCVKTISA-N 2 1 220.316 0.951 20 0 BCADMP CC(C)C[C@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000414855917 385707365 /nfs/dbraw/zinc/70/73/65/385707365.db2.gz XXIDYTDVVLVYGA-GFCCVEGCSA-N 3 1 213.369 0.949 20 0 BCADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221839791 385728251 /nfs/dbraw/zinc/72/82/51/385728251.db2.gz LXVFVWSVHNUJRP-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP CCCn1cc(C[NH2+]CCC[NH2+]C)cn1 ZINC000414857730 385731984 /nfs/dbraw/zinc/73/19/84/385731984.db2.gz FOVHMCZBPWIDQJ-UHFFFAOYSA-N 2 1 210.325 0.992 20 0 BCADMP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336718878 385845368 /nfs/dbraw/zinc/84/53/68/385845368.db2.gz RGWSAWSEUINWHX-DRZSPHRISA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336718878 385845374 /nfs/dbraw/zinc/84/53/74/385845374.db2.gz RGWSAWSEUINWHX-DRZSPHRISA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336718882 385845432 /nfs/dbraw/zinc/84/54/32/385845432.db2.gz RGWSAWSEUINWHX-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336718882 385845437 /nfs/dbraw/zinc/84/54/37/385845437.db2.gz RGWSAWSEUINWHX-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845305 385885037 /nfs/dbraw/zinc/88/50/37/385885037.db2.gz USNMXVBPQDOXNY-YPMHNXCESA-N 2 1 249.358 0.945 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000122294527 385897209 /nfs/dbraw/zinc/89/72/09/385897209.db2.gz ZFRNJLJPPWDPFY-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647825025 385867327 /nfs/dbraw/zinc/86/73/27/385867327.db2.gz UMQQHOMMRXHSFU-MXWKQRLJSA-N 2 1 227.352 0.426 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820441 385872632 /nfs/dbraw/zinc/87/26/32/385872632.db2.gz BUCSCEMCEOFQOY-DTWKUNHWSA-N 2 1 222.279 0.673 20 0 BCADMP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647828484 385876294 /nfs/dbraw/zinc/87/62/94/385876294.db2.gz WJXUFCUCYALQHK-WZRBSPASSA-N 2 1 241.379 0.816 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1=O ZINC000647829408 385878019 /nfs/dbraw/zinc/87/80/19/385878019.db2.gz AIPVMEAXFNJOOY-NSHDSACASA-N 2 1 221.304 0.166 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829670 385878496 /nfs/dbraw/zinc/87/84/96/385878496.db2.gz KNGQIDRSXUURNM-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000647836861 385882263 /nfs/dbraw/zinc/88/22/63/385882263.db2.gz MXRILZMJOXSWSK-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(Cl)cnn1C ZINC000414881169 385987232 /nfs/dbraw/zinc/98/72/32/385987232.db2.gz SBHFNABRIRTOJW-ZETCQYMHSA-N 2 1 216.716 0.758 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295207555 385991100 /nfs/dbraw/zinc/99/11/00/385991100.db2.gz PSKIAZWFYVHWCB-NSHDSACASA-N 2 1 233.315 0.860 20 0 BCADMP C[C@H](CO)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CO ZINC000342087824 385936246 /nfs/dbraw/zinc/93/62/46/385936246.db2.gz RGCLWSRWKRKAIN-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H](CO)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)CO ZINC000342087824 385936256 /nfs/dbraw/zinc/93/62/56/385936256.db2.gz RGCLWSRWKRKAIN-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H](CO)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)CO ZINC000342087824 385936258 /nfs/dbraw/zinc/93/62/58/385936258.db2.gz RGCLWSRWKRKAIN-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H](CO)[NH+](C)CCC[N@H+](C)[C@@H](C)CO ZINC000342086871 385936677 /nfs/dbraw/zinc/93/66/77/385936677.db2.gz HVQCIFWIVHERCR-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@H](CO)[N@@H+](C)CCC[NH+](C)[C@@H](C)CO ZINC000342086871 385936685 /nfs/dbraw/zinc/93/66/85/385936685.db2.gz HVQCIFWIVHERCR-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@H](CO)[N@H+](C)CCC[NH+](C)[C@@H](C)CO ZINC000342086871 385936696 /nfs/dbraw/zinc/93/66/96/385936696.db2.gz HVQCIFWIVHERCR-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cn[nH]c1 ZINC000309012983 385937066 /nfs/dbraw/zinc/93/70/66/385937066.db2.gz PTJIZVFODFHWHR-KOLCDFICSA-N 2 1 208.309 0.764 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417445526 385937832 /nfs/dbraw/zinc/93/78/32/385937832.db2.gz HJDNRBAWZJKOHH-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417448774 385951368 /nfs/dbraw/zinc/95/13/68/385951368.db2.gz WIVHTUPQAMZBAY-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP CC[NH+](CC)CCC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000338303875 385952871 /nfs/dbraw/zinc/95/28/71/385952871.db2.gz OXEMZRGWHINGTJ-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000338303875 385952878 /nfs/dbraw/zinc/95/28/78/385952878.db2.gz OXEMZRGWHINGTJ-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417447080 385956905 /nfs/dbraw/zinc/95/69/05/385956905.db2.gz OHGYFFIFZAGSTM-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417446801 385958012 /nfs/dbraw/zinc/95/80/12/385958012.db2.gz NHGKKHYJNZEVGU-GHMZBOCLSA-N 2 1 244.383 0.705 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417447849 385959425 /nfs/dbraw/zinc/95/94/25/385959425.db2.gz RWEQPWJYLHYOSA-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251311509 385964230 /nfs/dbraw/zinc/96/42/30/385964230.db2.gz KKPQCLFVBATCJJ-WCQYABFASA-N 2 1 239.363 0.811 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000417458814 386011802 /nfs/dbraw/zinc/01/18/02/386011802.db2.gz IOLHKOPDHHKPPL-NSHDSACASA-N 2 1 244.383 0.611 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977921 386037333 /nfs/dbraw/zinc/03/73/33/386037333.db2.gz QZZOXOKTGLTXQU-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729344 386105293 /nfs/dbraw/zinc/10/52/93/386105293.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729344 386105297 /nfs/dbraw/zinc/10/52/97/386105297.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729344 386105300 /nfs/dbraw/zinc/10/53/00/386105300.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCOC1 ZINC000336729344 386105306 /nfs/dbraw/zinc/10/53/06/386105306.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCOC1 ZINC000336729344 386105307 /nfs/dbraw/zinc/10/53/07/386105307.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000054132960 386111393 /nfs/dbraw/zinc/11/13/93/386111393.db2.gz IGGPGVLWCAMLJH-GFCCVEGCSA-N 2 1 235.331 0.754 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649189 386059315 /nfs/dbraw/zinc/05/93/15/386059315.db2.gz CBKXUSIWLUIGHG-IJLUTSLNSA-N 3 1 211.353 0.668 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649189 386059319 /nfs/dbraw/zinc/05/93/19/386059319.db2.gz CBKXUSIWLUIGHG-IJLUTSLNSA-N 3 1 211.353 0.668 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981676 386069390 /nfs/dbraw/zinc/06/93/90/386069390.db2.gz YGPVPQORQADGKX-CHWSQXEVSA-N 2 1 243.395 0.541 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274384003 386096525 /nfs/dbraw/zinc/09/65/25/386096525.db2.gz BPVLKXGYMUAAKM-VXGBXAGGSA-N 2 1 249.358 0.970 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000414662523 386098438 /nfs/dbraw/zinc/09/84/38/386098438.db2.gz AGBICAHENZGLII-SDDRHHMPSA-N 3 1 223.364 0.785 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647874919 386144259 /nfs/dbraw/zinc/14/42/59/386144259.db2.gz JWPNCHOHCBGKOX-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676067 386149857 /nfs/dbraw/zinc/14/98/57/386149857.db2.gz USCMLDZZFVVJBL-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677053 386151472 /nfs/dbraw/zinc/15/14/72/386151472.db2.gz VVKXOVFAGWCGGU-GHMZBOCLSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677053 386151473 /nfs/dbraw/zinc/15/14/73/386151473.db2.gz VVKXOVFAGWCGGU-GHMZBOCLSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677054 386152227 /nfs/dbraw/zinc/15/22/27/386152227.db2.gz VVKXOVFAGWCGGU-MNOVXSKESA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677054 386152232 /nfs/dbraw/zinc/15/22/32/386152232.db2.gz VVKXOVFAGWCGGU-MNOVXSKESA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677056 386152263 /nfs/dbraw/zinc/15/22/63/386152263.db2.gz VVKXOVFAGWCGGU-WDEREUQCSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677056 386152272 /nfs/dbraw/zinc/15/22/72/386152272.db2.gz VVKXOVFAGWCGGU-WDEREUQCSA-N 2 1 227.352 0.557 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000647878405 386160120 /nfs/dbraw/zinc/16/01/20/386160120.db2.gz DAAPVVUCQNUOFF-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681594 386163582 /nfs/dbraw/zinc/16/35/82/386163582.db2.gz PMYFCGIKIUYOHZ-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000346139737 386165795 /nfs/dbraw/zinc/16/57/95/386165795.db2.gz OMTCGVZTZUKKIL-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC000338896869 386169745 /nfs/dbraw/zinc/16/97/45/386169745.db2.gz PNYNSVFHVUFFGN-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414996187 386176553 /nfs/dbraw/zinc/17/65/53/386176553.db2.gz OGPQIMPIPWRKQB-IJLVLRJLSA-N 3 1 223.364 0.844 20 0 BCADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393458176 386130773 /nfs/dbraw/zinc/13/07/73/386130773.db2.gz FRKAQTZRFUGHEK-DDHJBXDOSA-N 2 1 210.321 0.726 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000414669917 386134781 /nfs/dbraw/zinc/13/47/81/386134781.db2.gz CFAMYIMCZJVKNB-WOPDTQHZSA-N 2 1 241.379 0.946 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000417487097 386139426 /nfs/dbraw/zinc/13/94/26/386139426.db2.gz NKLVVSHYUOOFDU-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP COC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414671609 386141821 /nfs/dbraw/zinc/14/18/21/386141821.db2.gz GOCQVEQURMVVGF-NXEZZACHSA-N 2 1 214.309 0.479 20 0 BCADMP Cn1cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000382368022 386142930 /nfs/dbraw/zinc/14/29/30/386142930.db2.gz XUGPSUYGOSFHCY-QWRGUYRKSA-N 2 1 205.305 0.676 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702519 386211184 /nfs/dbraw/zinc/21/11/84/386211184.db2.gz HWOIFBPMCMMHRT-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414704800 386215065 /nfs/dbraw/zinc/21/50/65/386215065.db2.gz JRBPLZIMFMMOGX-GRYCIOLGSA-N 2 1 241.379 0.688 20 0 BCADMP CN(C)c1nccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000347034837 386224437 /nfs/dbraw/zinc/22/44/37/386224437.db2.gz CXZKGEYYXAHYFU-JTQLQIEISA-N 2 1 235.335 0.323 20 0 BCADMP CN(C)c1nccc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000347034837 386224438 /nfs/dbraw/zinc/22/44/38/386224438.db2.gz CXZKGEYYXAHYFU-JTQLQIEISA-N 2 1 235.335 0.323 20 0 BCADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712678 386231107 /nfs/dbraw/zinc/23/11/07/386231107.db2.gz TUSGINIARYDDGE-WDEREUQCSA-N 2 1 229.368 0.674 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712678 386231109 /nfs/dbraw/zinc/23/11/09/386231109.db2.gz TUSGINIARYDDGE-WDEREUQCSA-N 2 1 229.368 0.674 20 0 BCADMP CN(CC[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000417512760 386238836 /nfs/dbraw/zinc/23/88/36/386238836.db2.gz YYJGBHYJJLTCEQ-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP C[C@@H](NC(=O)C[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000275956677 386255970 /nfs/dbraw/zinc/25/59/70/386255970.db2.gz HQBGZVYEXYARSY-SNVBAGLBSA-N 2 1 225.336 0.315 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414694716 386194633 /nfs/dbraw/zinc/19/46/33/386194633.db2.gz DQMGTCHPBOYWDU-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695891 386195700 /nfs/dbraw/zinc/19/57/00/386195700.db2.gz AAWLUDCHGWVTPG-RYUDHWBXSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695891 386195705 /nfs/dbraw/zinc/19/57/05/386195705.db2.gz AAWLUDCHGWVTPG-RYUDHWBXSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695890 386195816 /nfs/dbraw/zinc/19/58/16/386195816.db2.gz AAWLUDCHGWVTPG-NWDGAFQWSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695890 386195819 /nfs/dbraw/zinc/19/58/19/386195819.db2.gz AAWLUDCHGWVTPG-NWDGAFQWSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695893 386196801 /nfs/dbraw/zinc/19/68/01/386196801.db2.gz AAWLUDCHGWVTPG-VXGBXAGGSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695893 386196805 /nfs/dbraw/zinc/19/68/05/386196805.db2.gz AAWLUDCHGWVTPG-VXGBXAGGSA-N 2 1 241.379 0.947 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695137 386197982 /nfs/dbraw/zinc/19/79/82/386197982.db2.gz OEBDJPSKICXIGC-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000331939148 386306163 /nfs/dbraw/zinc/30/61/63/386306163.db2.gz IFYBBNNQMNMZGZ-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000236902671 386323564 /nfs/dbraw/zinc/32/35/64/386323564.db2.gz HOGDPGBWRQLNOK-KOLCDFICSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308442 386270929 /nfs/dbraw/zinc/27/09/29/386270929.db2.gz QPQMTSFRJVEXPT-WDEREUQCSA-N 2 1 239.363 0.395 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336653902 386272991 /nfs/dbraw/zinc/27/29/91/386272991.db2.gz ZFFOLNLSCSBVLX-NSHDSACASA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336656821 386274064 /nfs/dbraw/zinc/27/40/64/386274064.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)C[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336656821 386274067 /nfs/dbraw/zinc/27/40/67/386274067.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)C[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000336656821 386274069 /nfs/dbraw/zinc/27/40/69/386274069.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000336682194 386342410 /nfs/dbraw/zinc/34/24/10/386342410.db2.gz CZFGOAQJSAVZLC-ZDUSSCGKSA-N 2 1 241.379 0.202 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000336682194 386342415 /nfs/dbraw/zinc/34/24/15/386342415.db2.gz CZFGOAQJSAVZLC-ZDUSSCGKSA-N 2 1 241.379 0.202 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(=O)NC ZINC000331965426 386356161 /nfs/dbraw/zinc/35/61/61/386356161.db2.gz KUBIMOZKFONUBS-DCAQKATOSA-N 2 1 227.352 0.761 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(=O)NC ZINC000331965439 386356309 /nfs/dbraw/zinc/35/63/09/386356309.db2.gz KUBIMOZKFONUBS-GARJFASQSA-N 2 1 227.352 0.761 20 0 BCADMP C[N@@H+](CCCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336732035 386370008 /nfs/dbraw/zinc/37/00/08/386370008.db2.gz ZEJHSAMTJMEBAZ-LBPRGKRZSA-N 2 1 238.331 0.707 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347371852 386371372 /nfs/dbraw/zinc/37/13/72/386371372.db2.gz QEHSCXBKGPHWLL-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417556166 386380232 /nfs/dbraw/zinc/38/02/32/386380232.db2.gz ZXYODESCDDWLOO-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C ZINC000226396679 386385144 /nfs/dbraw/zinc/38/51/44/386385144.db2.gz FBNZSNCVCFUJBT-SECBINFHSA-N 2 1 201.314 0.052 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414742994 386332012 /nfs/dbraw/zinc/33/20/12/386332012.db2.gz GUOSIPNSVBUAAF-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000647989047 386334205 /nfs/dbraw/zinc/33/42/05/386334205.db2.gz BOLBIWGLRPDUGO-IJLUTSLNSA-N 2 1 211.353 0.620 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCNC1=O ZINC000414767271 386438493 /nfs/dbraw/zinc/43/84/93/386438493.db2.gz SIAHNQMEDGSPOE-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417607869 386439783 /nfs/dbraw/zinc/43/97/83/386439783.db2.gz HNAMKRFZTHGRQN-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417606400 386440238 /nfs/dbraw/zinc/44/02/38/386440238.db2.gz DVMODRLDDLOFAO-NSHDSACASA-N 2 1 244.383 0.612 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417612691 386450100 /nfs/dbraw/zinc/45/01/00/386450100.db2.gz RNYIQQSAPIEWNL-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1OC ZINC000276928651 386391102 /nfs/dbraw/zinc/39/11/02/386391102.db2.gz SSIYAQIBBUSWQJ-TXEJJXNPSA-N 2 1 239.319 0.537 20 0 BCADMP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1OC ZINC000276928651 386391108 /nfs/dbraw/zinc/39/11/08/386391108.db2.gz SSIYAQIBBUSWQJ-TXEJJXNPSA-N 2 1 239.319 0.537 20 0 BCADMP Cc1nccc(N2CCC[N@H+](C)CC2)n1 ZINC000266125885 386400844 /nfs/dbraw/zinc/40/08/44/386400844.db2.gz BPUGDOVYUGMCFE-UHFFFAOYSA-N 2 1 206.293 0.927 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583697 386412989 /nfs/dbraw/zinc/41/29/89/386412989.db2.gz LILPPBQMZNCHQV-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583696 386413311 /nfs/dbraw/zinc/41/33/11/386413311.db2.gz LILPPBQMZNCHQV-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]1C ZINC000414761988 386421406 /nfs/dbraw/zinc/42/14/06/386421406.db2.gz VEHRTEGNMJMTSK-RKDXNWHRSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@H]1C[C@H](O)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761508 386421538 /nfs/dbraw/zinc/42/15/38/386421538.db2.gz UABRMEYMDMUEAR-KXNHARMFSA-N 2 1 212.337 0.830 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000347471806 386432616 /nfs/dbraw/zinc/43/26/16/386432616.db2.gz HRFNAELRMPNEAW-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](CNC(=O)NCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000417009696 386435100 /nfs/dbraw/zinc/43/51/00/386435100.db2.gz KOGPGJWXZHBBBY-MNOVXSKESA-N 2 1 242.367 0.365 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000417243122 386466334 /nfs/dbraw/zinc/46/63/34/386466334.db2.gz VDKPPZYOGBYYTP-WDEREUQCSA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000299569255 386466817 /nfs/dbraw/zinc/46/68/17/386466817.db2.gz TYPWTGDRTDZLPE-GHMZBOCLSA-N 2 1 236.319 0.482 20 0 BCADMP C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN1C ZINC000299569255 386466825 /nfs/dbraw/zinc/46/68/25/386466825.db2.gz TYPWTGDRTDZLPE-GHMZBOCLSA-N 2 1 236.319 0.482 20 0 BCADMP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000417276946 386471451 /nfs/dbraw/zinc/47/14/51/386471451.db2.gz FOCFDDOHPOSSAH-AEJSXWLSSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@]1(C)CCCO1 ZINC000340359289 386479910 /nfs/dbraw/zinc/47/99/10/386479910.db2.gz OMDWXNNHHFKBEZ-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000340359289 386479916 /nfs/dbraw/zinc/47/99/16/386479916.db2.gz OMDWXNNHHFKBEZ-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@@H]1C[N@@H+](CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934787 386480414 /nfs/dbraw/zinc/48/04/14/386480414.db2.gz QGNFYFJERRLDCQ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000165015959 386490370 /nfs/dbraw/zinc/49/03/70/386490370.db2.gz ZQFJZSRYFVLSMP-NSHDSACASA-N 2 1 230.352 0.722 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323214 386498427 /nfs/dbraw/zinc/49/84/27/386498427.db2.gz GHJVKUICCXTAJF-QWRGUYRKSA-N 2 1 242.367 0.365 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780518 386498719 /nfs/dbraw/zinc/49/87/19/386498719.db2.gz BMFWWIWAWCXROC-XQHKEYJVSA-N 3 1 223.364 0.668 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780518 386498736 /nfs/dbraw/zinc/49/87/36/386498736.db2.gz BMFWWIWAWCXROC-XQHKEYJVSA-N 3 1 223.364 0.668 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN2CCO[C@@H](C)C2)C1 ZINC000519606881 386503140 /nfs/dbraw/zinc/50/31/40/386503140.db2.gz OGYFCTCJUUXSKL-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000519606881 386503143 /nfs/dbraw/zinc/50/31/43/386503143.db2.gz OGYFCTCJUUXSKL-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000647936302 386515378 /nfs/dbraw/zinc/51/53/78/386515378.db2.gz BCWOXDKUPOMBPE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP Cc1cn[nH]c1C[NH+]1CCC(C[NH3+])CC1 ZINC000335447696 386515426 /nfs/dbraw/zinc/51/54/26/386515426.db2.gz IBOUNPMULYPFPD-UHFFFAOYSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517387 /nfs/dbraw/zinc/51/73/87/386517387.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517394 /nfs/dbraw/zinc/51/73/94/386517394.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 2 1 208.309 0.887 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062861122 386530172 /nfs/dbraw/zinc/53/01/72/386530172.db2.gz IYMBZBFMQUSGCV-CYBMUJFWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403717 386464751 /nfs/dbraw/zinc/46/47/51/386464751.db2.gz HOZUDCICINUDKJ-GUBZILKMSA-N 2 1 213.325 0.323 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000417243119 386465846 /nfs/dbraw/zinc/46/58/46/386465846.db2.gz VDKPPZYOGBYYTP-MNOVXSKESA-N 2 1 242.367 0.365 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000417243121 386465915 /nfs/dbraw/zinc/46/59/15/386465915.db2.gz VDKPPZYOGBYYTP-QWRGUYRKSA-N 2 1 242.367 0.365 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000415081781 386599077 /nfs/dbraw/zinc/59/90/77/386599077.db2.gz NLBICQBYPBNGLB-RYUDHWBXSA-N 2 1 211.353 0.812 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905612 386594815 /nfs/dbraw/zinc/59/48/15/386594815.db2.gz KXRDWVQGMRVVKM-CMPLNLGQSA-N 2 1 235.331 0.554 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905614 386596067 /nfs/dbraw/zinc/59/60/67/386596067.db2.gz KXRDWVQGMRVVKM-PWSUYJOCSA-N 2 1 235.331 0.554 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417675167 386531855 /nfs/dbraw/zinc/53/18/55/386531855.db2.gz BHOMDPFKEPBHIS-UWVGGRQHSA-N 2 1 240.351 0.260 20 0 BCADMP CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519703055 386536996 /nfs/dbraw/zinc/53/69/96/386536996.db2.gz DUWAQSCVJSRLLC-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000519699404 386537173 /nfs/dbraw/zinc/53/71/73/386537173.db2.gz FKPHXZUGPINQTA-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000519699404 386537179 /nfs/dbraw/zinc/53/71/79/386537179.db2.gz FKPHXZUGPINQTA-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP c1cnc(N[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995344 386539518 /nfs/dbraw/zinc/53/95/18/386539518.db2.gz QNBLHRWVDPQJLK-NEPJUHHUSA-N 2 1 247.346 0.572 20 0 BCADMP c1cnc(N[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995344 386539521 /nfs/dbraw/zinc/53/95/21/386539521.db2.gz QNBLHRWVDPQJLK-NEPJUHHUSA-N 2 1 247.346 0.572 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417691008 386557925 /nfs/dbraw/zinc/55/79/25/386557925.db2.gz WHGASBCUZGGCSF-JTQLQIEISA-N 2 1 240.351 0.132 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062031625 386561414 /nfs/dbraw/zinc/56/14/14/386561414.db2.gz YKAGIJXGJBGJEV-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116899 386568048 /nfs/dbraw/zinc/56/80/48/386568048.db2.gz ZAWTUAAKZSTYLZ-JTQLQIEISA-N 2 1 213.325 0.052 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903581 386570188 /nfs/dbraw/zinc/57/01/88/386570188.db2.gz MLVUMULLRUAJGS-QWHCGFSZSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903581 386570194 /nfs/dbraw/zinc/57/01/94/386570194.db2.gz MLVUMULLRUAJGS-QWHCGFSZSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@@H](O)C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183126 386655377 /nfs/dbraw/zinc/65/53/77/386655377.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647997619 386619535 /nfs/dbraw/zinc/61/95/35/386619535.db2.gz SGIJMLMVIQHUKL-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415113687 386621094 /nfs/dbraw/zinc/62/10/94/386621094.db2.gz XFCVSWRUDMQOCD-BBBLOLIVSA-N 2 1 214.309 0.526 20 0 BCADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000415105315 386624844 /nfs/dbraw/zinc/62/48/44/386624844.db2.gz LVFOLRHCXCUQFN-QWRGUYRKSA-N 2 1 239.363 0.713 20 0 BCADMP COC(=O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415121045 386633307 /nfs/dbraw/zinc/63/33/07/386633307.db2.gz YVIDKWIAMGHILE-ZJUUUORDSA-N 2 1 228.336 0.916 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000337190276 386642436 /nfs/dbraw/zinc/64/24/36/386642436.db2.gz SIWZLKHPEDARJX-QNWHQSFQSA-N 2 1 242.363 0.551 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000336758683 386647419 /nfs/dbraw/zinc/64/74/19/386647419.db2.gz IMLCRCITUJZBOE-SRVKXCTJSA-N 2 1 230.352 0.578 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337198790 386649311 /nfs/dbraw/zinc/64/93/11/386649311.db2.gz AMDPRWHEDQDGHG-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337198790 386649318 /nfs/dbraw/zinc/64/93/18/386649318.db2.gz AMDPRWHEDQDGHG-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414922393 386599213 /nfs/dbraw/zinc/59/92/13/386599213.db2.gz GADVAKZKJDYAGT-MXWKQRLJSA-N 2 1 200.326 0.857 20 0 BCADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336644902 386599165 /nfs/dbraw/zinc/59/91/65/386599165.db2.gz AUXOINLHSQEBFO-WDEREUQCSA-N 2 1 202.342 0.920 20 0 BCADMP [NH3+]CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417721786 386599377 /nfs/dbraw/zinc/59/93/77/386599377.db2.gz YQXWIKZYFUEQRB-JTQLQIEISA-N 2 1 240.351 0.261 20 0 BCADMP [NH3+]CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417721787 386599490 /nfs/dbraw/zinc/59/94/90/386599490.db2.gz YQXWIKZYFUEQRB-SNVBAGLBSA-N 2 1 240.351 0.261 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000415109312 386616502 /nfs/dbraw/zinc/61/65/02/386616502.db2.gz RASCREYYSJMBQV-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183126 386655365 /nfs/dbraw/zinc/65/53/65/386655365.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H](O)C[NH+](C)[C@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183126 386655374 /nfs/dbraw/zinc/65/53/74/386655374.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CCOC(=O)C1CCC([NH2+]CC[NH2+]C)CC1 ZINC000414820987 386673463 /nfs/dbraw/zinc/67/34/63/386673463.db2.gz DLWFZGAKPDTEHI-UHFFFAOYSA-N 2 1 228.336 0.917 20 0 BCADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000414927453 386683053 /nfs/dbraw/zinc/68/30/53/386683053.db2.gz LFRKDTZDZSKDFN-MRVPVSSYSA-N 2 1 204.277 1.000 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH3+] ZINC000335475364 386698584 /nfs/dbraw/zinc/69/85/84/386698584.db2.gz KDUUSPZEGOZLBE-UWVGGRQHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH3+] ZINC000335475364 386698591 /nfs/dbraw/zinc/69/85/91/386698591.db2.gz KDUUSPZEGOZLBE-UWVGGRQHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH3+] ZINC000335475383 386699181 /nfs/dbraw/zinc/69/91/81/386699181.db2.gz KDUUSPZEGOZLBE-ZJUUUORDSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH3+] ZINC000335475383 386699186 /nfs/dbraw/zinc/69/91/86/386699186.db2.gz KDUUSPZEGOZLBE-ZJUUUORDSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@]1(F)CNCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000335477903 386704168 /nfs/dbraw/zinc/70/41/68/386704168.db2.gz COMKARYKXSMHOO-GFCCVEGCSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(CC2CC[NH2+]CC2)C1 ZINC000335477903 386704170 /nfs/dbraw/zinc/70/41/70/386704170.db2.gz COMKARYKXSMHOO-GFCCVEGCSA-N 2 1 229.343 0.619 20 0 BCADMP CN(CCOCC[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000357078911 386712463 /nfs/dbraw/zinc/71/24/63/386712463.db2.gz KMVAXAMBYXEDFU-LBPRGKRZSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000357078911 386712468 /nfs/dbraw/zinc/71/24/68/386712468.db2.gz KMVAXAMBYXEDFU-LBPRGKRZSA-N 2 1 227.352 0.130 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357067397 386708714 /nfs/dbraw/zinc/70/87/14/386708714.db2.gz CRNPQOVASLOYBH-CYBMUJFWSA-N 3 1 241.379 0.379 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357067397 386708721 /nfs/dbraw/zinc/70/87/21/386708721.db2.gz CRNPQOVASLOYBH-CYBMUJFWSA-N 3 1 241.379 0.379 20 0 BCADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000357078911 386712475 /nfs/dbraw/zinc/71/24/75/386712475.db2.gz KMVAXAMBYXEDFU-LBPRGKRZSA-N 2 1 227.352 0.130 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)OCC1CC1 ZINC000357083390 386713544 /nfs/dbraw/zinc/71/35/44/386713544.db2.gz PDQPTALEVUXFJT-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@H](O)C[N@@H+](CCOCC[NH3+])C1CCCCC1 ZINC000357084170 386714160 /nfs/dbraw/zinc/71/41/60/386714160.db2.gz ZANGOJIDBDZBCM-LBPRGKRZSA-N 2 1 244.379 0.977 20 0 BCADMP CN(CCC[NH2+]Cc1cocn1)CC[NH+](C)C ZINC000623087712 386723707 /nfs/dbraw/zinc/72/37/07/386723707.db2.gz DWSMHDFJFBPTPV-UHFFFAOYSA-N 2 1 240.351 0.648 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000643364431 386729263 /nfs/dbraw/zinc/72/92/63/386729263.db2.gz LMKDRCJSLCBGHJ-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000165931934 386750517 /nfs/dbraw/zinc/75/05/17/386750517.db2.gz MSTAKUXVEXNZMN-NSHDSACASA-N 2 1 235.331 0.582 20 0 BCADMP CN(C)c1cc(NC(=O)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000269271731 386769706 /nfs/dbraw/zinc/76/97/06/386769706.db2.gz TUMYYUGDQRTQDJ-SECBINFHSA-N 2 1 234.303 0.696 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](CO)O2)CC1 ZINC000340409468 386761650 /nfs/dbraw/zinc/76/16/50/386761650.db2.gz BFEAEYWXEQWSIZ-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000357348666 386764620 /nfs/dbraw/zinc/76/46/20/386764620.db2.gz RHRCPECHDPKZEJ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC1(C)CCC[NH2+][C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000417801751 386764663 /nfs/dbraw/zinc/76/46/63/386764663.db2.gz CZIJXYGVZNBSKD-QMMMGPOBSA-N 2 1 249.305 0.475 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000357348667 386765104 /nfs/dbraw/zinc/76/51/04/386765104.db2.gz RHRCPECHDPKZEJ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000417835708 386792604 /nfs/dbraw/zinc/79/26/04/386792604.db2.gz KYVLIQDAQQLWNM-IVZWLZJFSA-N 2 1 243.376 0.092 20 0 BCADMP C[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417835712 386794174 /nfs/dbraw/zinc/79/41/74/386794174.db2.gz KYVLIQDAQQLWNM-UTLUCORTSA-N 2 1 243.376 0.092 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417813992 386781567 /nfs/dbraw/zinc/78/15/67/386781567.db2.gz MQPZLFBNJIEKQQ-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CO[C@H](C)C[N@@H+](CCOCC[NH3+])C(C)C ZINC000336671673 386818260 /nfs/dbraw/zinc/81/82/60/386818260.db2.gz GCKOQJUCCAEFSD-LLVKDONJSA-N 2 1 218.341 0.707 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000336672687 386819958 /nfs/dbraw/zinc/81/99/58/386819958.db2.gz GKDNENYNNRAESI-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988542 386806777 /nfs/dbraw/zinc/80/67/77/386806777.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988542 386806779 /nfs/dbraw/zinc/80/67/79/386806779.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988542 386806781 /nfs/dbraw/zinc/80/67/81/386806781.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000418010792 386891152 /nfs/dbraw/zinc/89/11/52/386891152.db2.gz WEACIKKTWJJNHL-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000418010795 386891582 /nfs/dbraw/zinc/89/15/82/386891582.db2.gz WEACIKKTWJJNHL-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[NH3+])C1 ZINC000166356418 386854058 /nfs/dbraw/zinc/85/40/58/386854058.db2.gz YZZKUITVBIXDHA-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006199 386862678 /nfs/dbraw/zinc/86/26/78/386862678.db2.gz PXYYWBVIHAAXGS-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336744611 386870572 /nfs/dbraw/zinc/87/05/72/386870572.db2.gz ZNRPRKFUHXFRGC-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336744611 386870577 /nfs/dbraw/zinc/87/05/77/386870577.db2.gz ZNRPRKFUHXFRGC-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000341263501 386871324 /nfs/dbraw/zinc/87/13/24/386871324.db2.gz PFXXSYOKPXPWJY-GRYCIOLGSA-N 2 1 241.379 0.498 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH+](C)C ZINC000341274501 386874713 /nfs/dbraw/zinc/87/47/13/386874713.db2.gz CBIMFARPHKICQX-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH+](C)C ZINC000341274502 386875530 /nfs/dbraw/zinc/87/55/30/386875530.db2.gz CBIMFARPHKICQX-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)CC[N@H+]1C ZINC000358049301 386886448 /nfs/dbraw/zinc/88/64/48/386886448.db2.gz QSRITLQOLPTHGK-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000331746176 386889902 /nfs/dbraw/zinc/88/99/02/386889902.db2.gz DBYOWNLCCYCFLU-IVZWLZJFSA-N 2 1 240.351 0.258 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](CO)[C@H]2CCOC2)CC1 ZINC000341372999 386895524 /nfs/dbraw/zinc/89/55/24/386895524.db2.gz OVRTUVHQERINTA-RYUDHWBXSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000358247164 386919679 /nfs/dbraw/zinc/91/96/79/386919679.db2.gz HRPNJGBMFHBXKZ-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000358247164 386919684 /nfs/dbraw/zinc/91/96/84/386919684.db2.gz HRPNJGBMFHBXKZ-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336763093 386946758 /nfs/dbraw/zinc/94/67/58/386946758.db2.gz LXQFGKPVMLGAJZ-NWDGAFQWSA-N 2 1 232.368 0.560 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000341521257 386920873 /nfs/dbraw/zinc/92/08/73/386920873.db2.gz XWIQDKFHRDAXJD-NWDGAFQWSA-N 2 1 241.379 0.642 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336763095 386947302 /nfs/dbraw/zinc/94/73/02/386947302.db2.gz LXQFGKPVMLGAJZ-VXGBXAGGSA-N 2 1 232.368 0.560 20 0 BCADMP CC1(C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000334867081 386923251 /nfs/dbraw/zinc/92/32/51/386923251.db2.gz ZPLQNSZDLVCPIE-NSHDSACASA-N 3 1 211.353 0.718 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358271265 386925227 /nfs/dbraw/zinc/92/52/27/386925227.db2.gz XPTISAAVMXJPBZ-DRZSPHRISA-N 2 1 239.363 0.537 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358271265 386925231 /nfs/dbraw/zinc/92/52/31/386925231.db2.gz XPTISAAVMXJPBZ-DRZSPHRISA-N 2 1 239.363 0.537 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358271266 386925722 /nfs/dbraw/zinc/92/57/22/386925722.db2.gz XPTISAAVMXJPBZ-KGYLQXTDSA-N 2 1 239.363 0.537 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358271266 386925726 /nfs/dbraw/zinc/92/57/26/386925726.db2.gz XPTISAAVMXJPBZ-KGYLQXTDSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368183320 386948111 /nfs/dbraw/zinc/94/81/11/386948111.db2.gz HEVHZMLYXDWWMA-WDEREUQCSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@]1(C[NH2+]CC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000332123072 386962786 /nfs/dbraw/zinc/96/27/86/386962786.db2.gz IAHJBKPQGQHKLD-LLVKDONJSA-N 3 1 211.353 0.705 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358498666 386967276 /nfs/dbraw/zinc/96/72/76/386967276.db2.gz DOMFFOPCVUFTFQ-UHFFFAOYSA-N 2 1 235.335 0.391 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358498666 386967282 /nfs/dbraw/zinc/96/72/82/386967282.db2.gz DOMFFOPCVUFTFQ-UHFFFAOYSA-N 2 1 235.335 0.391 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)C[C@H](C)O1 ZINC000518995660 386978797 /nfs/dbraw/zinc/97/87/97/386978797.db2.gz DXLLQAJZMDKSAM-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906118 386986544 /nfs/dbraw/zinc/98/65/44/386986544.db2.gz WTKKQLKHCXIXRH-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906924 386987355 /nfs/dbraw/zinc/98/73/55/386987355.db2.gz YNZAJBZKKVJUKA-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906924 386987356 /nfs/dbraw/zinc/98/73/56/386987356.db2.gz YNZAJBZKKVJUKA-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368592156 386989104 /nfs/dbraw/zinc/98/91/04/386989104.db2.gz PMQFJOGHOPYBTP-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368592156 386989114 /nfs/dbraw/zinc/98/91/14/386989114.db2.gz PMQFJOGHOPYBTP-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000104418482 387004734 /nfs/dbraw/zinc/00/47/34/387004734.db2.gz YWJVTTDCPQVGQL-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822826 386952087 /nfs/dbraw/zinc/95/20/87/386952087.db2.gz XGSITQYDKWAAFW-JQWIXIFHSA-N 3 1 211.353 0.716 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000399007716 387036922 /nfs/dbraw/zinc/03/69/22/387036922.db2.gz AJERVSFEQOCCCI-GFCCVEGCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404708 387038442 /nfs/dbraw/zinc/03/84/42/387038442.db2.gz OZVYQKFGUOCYKL-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404708 387038446 /nfs/dbraw/zinc/03/84/46/387038446.db2.gz OZVYQKFGUOCYKL-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074251 387043196 /nfs/dbraw/zinc/04/31/96/387043196.db2.gz QLLQRKGMXHVZMR-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074181 387044153 /nfs/dbraw/zinc/04/41/53/387044153.db2.gz LFYSRASCGPPNEX-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000334970115 387054808 /nfs/dbraw/zinc/05/48/08/387054808.db2.gz PSPTXHCBSFIODU-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@]1(F)CNCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334970785 387055168 /nfs/dbraw/zinc/05/51/68/387055168.db2.gz GIKIIHTWCUTYAM-NEPJUHHUSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000334970785 387055169 /nfs/dbraw/zinc/05/51/69/387055169.db2.gz GIKIIHTWCUTYAM-NEPJUHHUSA-N 2 1 229.343 0.619 20 0 BCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430946363 387057800 /nfs/dbraw/zinc/05/78/00/387057800.db2.gz AICONLJMCCQAFY-LLVKDONJSA-N 2 1 225.336 0.135 20 0 BCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430946363 387057804 /nfs/dbraw/zinc/05/78/04/387057804.db2.gz AICONLJMCCQAFY-LLVKDONJSA-N 2 1 225.336 0.135 20 0 BCADMP COC(=O)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000188680821 387063315 /nfs/dbraw/zinc/06/33/15/387063315.db2.gz WRBJFXWJYIWZCN-UHFFFAOYSA-N 2 1 226.320 0.623 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368806465 387012832 /nfs/dbraw/zinc/01/28/32/387012832.db2.gz NZPVEXIRFFKWPM-CMPLNLGQSA-N 2 1 225.336 0.054 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@@H+]1C ZINC000417400692 387021773 /nfs/dbraw/zinc/02/17/73/387021773.db2.gz KUDALDYRESIMMG-FIQHERPVSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@H+]1C ZINC000417400692 387021776 /nfs/dbraw/zinc/02/17/76/387021776.db2.gz KUDALDYRESIMMG-FIQHERPVSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000333896281 387073326 /nfs/dbraw/zinc/07/33/26/387073326.db2.gz ASKIWIWAMNDSIQ-AXFHLTTASA-N 2 1 240.351 0.212 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256268 387074433 /nfs/dbraw/zinc/07/44/33/387074433.db2.gz LUJMTXYBKKDLPS-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359304431 387082519 /nfs/dbraw/zinc/08/25/19/387082519.db2.gz KMGRPDQZIQRSRJ-WOPDTQHZSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)(O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995005 387085800 /nfs/dbraw/zinc/08/58/00/387085800.db2.gz XSQBWYBNBQEVLO-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP C[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000336766763 387107868 /nfs/dbraw/zinc/10/78/68/387107868.db2.gz RWIHXOGDMDMJSK-UHFFFAOYSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645666134 387111636 /nfs/dbraw/zinc/11/16/36/387111636.db2.gz MDVIOSRTPFSTFW-UWVGGRQHSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000336766740 387119939 /nfs/dbraw/zinc/11/99/39/387119939.db2.gz SJJHWGSTVGWPCR-WISYIIOYSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000336766740 387119941 /nfs/dbraw/zinc/11/99/41/387119941.db2.gz SJJHWGSTVGWPCR-WISYIIOYSA-N 2 1 212.337 0.687 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186731680 387130154 /nfs/dbraw/zinc/13/01/54/387130154.db2.gz MHHBYSQIAGYGPH-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C)CCC(N)=O ZINC000353166576 387147235 /nfs/dbraw/zinc/14/72/35/387147235.db2.gz CTRXLBGAEDQDPK-UHFFFAOYSA-N 2 1 215.341 0.526 20 0 BCADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH3+])cn1 ZINC000423315615 387157004 /nfs/dbraw/zinc/15/70/04/387157004.db2.gz AAZHUWKHSZOZFA-VHSXEESVSA-N 2 1 223.320 0.958 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423319641 387161541 /nfs/dbraw/zinc/16/15/41/387161541.db2.gz CQBPAKHDWOSNJG-DGCLKSJQSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327437 387171135 /nfs/dbraw/zinc/17/11/35/387171135.db2.gz RODRJMHAULVXKR-JIMOISOXSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423327437 387171142 /nfs/dbraw/zinc/17/11/42/387171142.db2.gz RODRJMHAULVXKR-JIMOISOXSA-N 2 1 223.364 0.796 20 0 BCADMP COCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400602942 387194151 /nfs/dbraw/zinc/19/41/51/387194151.db2.gz XBLMGNOLWPDYQT-GHMZBOCLSA-N 2 1 216.325 0.380 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423333354 387180424 /nfs/dbraw/zinc/18/04/24/387180424.db2.gz FEPTWMQTNLBAGO-RKDXNWHRSA-N 2 1 221.295 0.701 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334051 387181283 /nfs/dbraw/zinc/18/12/83/387181283.db2.gz FLRPIYOICYVCBR-CZXHOFHRSA-N 2 1 249.358 0.481 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261768 387184796 /nfs/dbraw/zinc/18/47/96/387184796.db2.gz CRMCSGUUJVWIQA-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337259 387186007 /nfs/dbraw/zinc/18/60/07/387186007.db2.gz UBNQBNVVMDTZEC-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423337685 387186584 /nfs/dbraw/zinc/18/65/84/387186584.db2.gz YRGZBMZFXPNLJH-IRUJWGPZSA-N 2 1 223.364 0.939 20 0 BCADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000571908120 387189408 /nfs/dbraw/zinc/18/94/08/387189408.db2.gz FHKKTKZKPYHQGC-SDDRHHMPSA-N 2 1 209.337 0.421 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000418176147 387189589 /nfs/dbraw/zinc/18/95/89/387189589.db2.gz BWFMHDOEOWKCSJ-NSHDSACASA-N 2 1 242.367 0.509 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000643494844 387138550 /nfs/dbraw/zinc/13/85/50/387138550.db2.gz OQVNVLJWVYIVCK-WOPDTQHZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCOC1 ZINC000423353005 387204996 /nfs/dbraw/zinc/20/49/96/387204996.db2.gz AWILBEFWTGDDIJ-KXNHARMFSA-N 2 1 212.337 0.999 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000418188080 387206069 /nfs/dbraw/zinc/20/60/69/387206069.db2.gz SJNGFHRZTJNZIT-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000423356498 387206807 /nfs/dbraw/zinc/20/68/07/387206807.db2.gz JZYUGLTXBUFMIG-JHJVBQTASA-N 2 1 241.379 0.485 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418200741 387211324 /nfs/dbraw/zinc/21/13/24/387211324.db2.gz QKMXAMRCGRLFLO-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418199853 387212393 /nfs/dbraw/zinc/21/23/93/387212393.db2.gz OQZUTPZWOIBBLB-ZJUUUORDSA-N 2 1 230.356 0.362 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418203753 387218289 /nfs/dbraw/zinc/21/82/89/387218289.db2.gz WGNZSMGBLJZFLD-QWRGUYRKSA-N 2 1 242.367 0.376 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423373581 387228570 /nfs/dbraw/zinc/22/85/70/387228570.db2.gz HRQSHZNVTWRQPF-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423402167 387237262 /nfs/dbraw/zinc/23/72/62/387237262.db2.gz RIXACUOERXSUTR-PWSUYJOCSA-N 2 1 225.336 0.195 20 0 BCADMP CCN(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147850 387243928 /nfs/dbraw/zinc/24/39/28/387243928.db2.gz RNOAMHLDVAQGKX-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP CCN(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147849 387244164 /nfs/dbraw/zinc/24/41/64/387244164.db2.gz RNOAMHLDVAQGKX-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406842 387244563 /nfs/dbraw/zinc/24/45/63/387244563.db2.gz VEBNLCBNETVXPI-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406842 387244565 /nfs/dbraw/zinc/24/45/65/387244565.db2.gz VEBNLCBNETVXPI-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410901 387245795 /nfs/dbraw/zinc/24/57/95/387245795.db2.gz ARAAPPVANLOZFR-NMKXLXIOSA-N 2 1 249.358 0.434 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@H]21 ZINC000423420050 387248884 /nfs/dbraw/zinc/24/88/84/387248884.db2.gz AQZUNBCJMHXBHN-BSCCGWMCSA-N 2 1 235.375 0.667 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423768 387249924 /nfs/dbraw/zinc/24/99/24/387249924.db2.gz FDPRGHHYEZFOEX-ZMHPAJMFSA-N 2 1 221.348 0.277 20 0 BCADMP O=C([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000162039928 387250472 /nfs/dbraw/zinc/25/04/72/387250472.db2.gz AYEYRUHJTMUZHD-RYUDHWBXSA-N 2 1 237.347 0.293 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423374255 387198396 /nfs/dbraw/zinc/19/83/96/387198396.db2.gz JQXUMFAMCDVNGZ-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423350589 387202119 /nfs/dbraw/zinc/20/21/19/387202119.db2.gz ZUQTYGBNEVJGSZ-JGVFFNPUSA-N 2 1 207.268 0.311 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423470839 387316741 /nfs/dbraw/zinc/31/67/41/387316741.db2.gz GVIRFKZAWRTKDD-OPRDCNLKSA-N 2 1 233.306 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423470837 387317135 /nfs/dbraw/zinc/31/71/35/387317135.db2.gz GVIRFKZAWRTKDD-KXUCPTDWSA-N 2 1 233.306 0.523 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000423379578 387262420 /nfs/dbraw/zinc/26/24/20/387262420.db2.gz MDJRYZYBAHGIPT-GHMZBOCLSA-N 2 1 239.367 0.989 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360336180 387264928 /nfs/dbraw/zinc/26/49/28/387264928.db2.gz JALSCVWCABJWKP-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000645684596 387267535 /nfs/dbraw/zinc/26/75/35/387267535.db2.gz APNKWUYXRZBRED-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423387835 387271030 /nfs/dbraw/zinc/27/10/30/387271030.db2.gz KEWAWQUWCVOZFK-DDHJBXDOSA-N 2 1 213.369 0.913 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423387691 387271531 /nfs/dbraw/zinc/27/15/31/387271531.db2.gz HYTYWBDEXDPPAV-YPMHNXCESA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+]CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000520808693 387273491 /nfs/dbraw/zinc/27/34/91/387273491.db2.gz AJSZCROBZWHBEA-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000643498950 387276880 /nfs/dbraw/zinc/27/68/80/387276880.db2.gz ZSCLVFMNUXPRJV-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000643498950 387276884 /nfs/dbraw/zinc/27/68/84/387276884.db2.gz ZSCLVFMNUXPRJV-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000643498950 387276889 /nfs/dbraw/zinc/27/68/89/387276889.db2.gz ZSCLVFMNUXPRJV-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000353812822 387279606 /nfs/dbraw/zinc/27/96/06/387279606.db2.gz IJECBSZLDWBAEE-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423470840 387317893 /nfs/dbraw/zinc/31/78/93/387317893.db2.gz GVIRFKZAWRTKDD-UTLUCORTSA-N 2 1 233.306 0.523 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000514732467 387282865 /nfs/dbraw/zinc/28/28/65/387282865.db2.gz JORTZDZATZNWJP-WDMOLILDSA-N 2 1 249.358 0.339 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000423433229 387283931 /nfs/dbraw/zinc/28/39/31/387283931.db2.gz NCPKVIXYANOAAO-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432597 387284285 /nfs/dbraw/zinc/28/42/85/387284285.db2.gz OPQVHAYGUCXCCW-KLTVKPSUSA-N 2 1 249.358 0.337 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435040 387286796 /nfs/dbraw/zinc/28/67/96/387286796.db2.gz OLJANQUZSCCDLX-YXCITZCRSA-N 3 1 237.391 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435040 387286799 /nfs/dbraw/zinc/28/67/99/387286799.db2.gz OLJANQUZSCCDLX-YXCITZCRSA-N 2 1 237.391 0.962 20 0 BCADMP CC[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423441199 387291356 /nfs/dbraw/zinc/29/13/56/387291356.db2.gz AZVSATVIWNAVTD-GARJFASQSA-N 2 1 211.353 0.939 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000514938586 387318364 /nfs/dbraw/zinc/31/83/64/387318364.db2.gz MRYRYAMYBPAGOU-KOLCDFICSA-N 2 1 238.335 0.980 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000514865437 387300795 /nfs/dbraw/zinc/30/07/95/387300795.db2.gz UWKANUWXIDWLQF-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258848037 387303033 /nfs/dbraw/zinc/30/30/33/387303033.db2.gz QWGDSSYVSLZVMQ-MNOVXSKESA-N 2 1 227.352 0.381 20 0 BCADMP C[NH2+]CCCN1CCC(OCCC[NH3+])CC1 ZINC000572286949 387307396 /nfs/dbraw/zinc/30/73/96/387307396.db2.gz OQLTVHXWWFRQKX-UHFFFAOYSA-N 2 1 229.368 0.426 20 0 BCADMP CCC1CC([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423520956 387354164 /nfs/dbraw/zinc/35/41/64/387354164.db2.gz QNXHEPNLQLSDIG-MCIGGMRASA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000515312692 387359252 /nfs/dbraw/zinc/35/92/52/387359252.db2.gz UMTFEDTXTHLYLM-QMMMGPOBSA-N 2 1 235.278 0.050 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502392 387366932 /nfs/dbraw/zinc/36/69/32/387366932.db2.gz FEXZAJNEOQQGBU-VXGBXAGGSA-N 2 1 237.351 0.788 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544420 387367496 /nfs/dbraw/zinc/36/74/96/387367496.db2.gz CZZUSDIUWYTGML-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423563243 387377383 /nfs/dbraw/zinc/37/73/83/387377383.db2.gz WZSXJZRNKWHEHF-KSTCHIGDSA-N 3 1 237.391 0.962 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000515433142 387378551 /nfs/dbraw/zinc/37/85/51/387378551.db2.gz PLUDJLZUNSMFFA-OUJBWJOFSA-N 2 1 239.363 0.535 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000515433142 387378553 /nfs/dbraw/zinc/37/85/53/387378553.db2.gz PLUDJLZUNSMFFA-OUJBWJOFSA-N 2 1 239.363 0.535 20 0 BCADMP Cc1c[nH+]ccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000373521099 387378494 /nfs/dbraw/zinc/37/84/94/387378494.db2.gz JXOXYCZEBQFTGT-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP Cc1c[nH+]ccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000373521099 387378496 /nfs/dbraw/zinc/37/84/96/387378496.db2.gz JXOXYCZEBQFTGT-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP COCC[N@H+]1CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423570875 387379871 /nfs/dbraw/zinc/37/98/71/387379871.db2.gz XGTATZQUBHACBO-ZDUSSCGKSA-N 2 1 241.379 0.439 20 0 BCADMP COCCN1CC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423570875 387379876 /nfs/dbraw/zinc/37/98/76/387379876.db2.gz XGTATZQUBHACBO-ZDUSSCGKSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1CC1(C)C ZINC000423485538 387330913 /nfs/dbraw/zinc/33/09/13/387330913.db2.gz AVMJIMPRUQYEIU-SDDRHHMPSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000354156109 387338137 /nfs/dbraw/zinc/33/81/37/387338137.db2.gz VPSKSYROLJBGEQ-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000423506618 387345866 /nfs/dbraw/zinc/34/58/66/387345866.db2.gz HIJZTCPXTFEJDS-RYUDHWBXSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572378713 387353176 /nfs/dbraw/zinc/35/31/76/387353176.db2.gz PERKYIYQUCQUNR-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000515811242 387424764 /nfs/dbraw/zinc/42/47/64/387424764.db2.gz VXANWYTZROJHJL-HOSYDEDBSA-N 2 1 243.326 0.144 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC000083887484 387428354 /nfs/dbraw/zinc/42/83/54/387428354.db2.gz LYAANKDIQRPNHR-UHFFFAOYSA-N 2 1 237.347 0.364 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000423800324 387429047 /nfs/dbraw/zinc/42/90/47/387429047.db2.gz LJXAHNOJGPSBTJ-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423839234 387433769 /nfs/dbraw/zinc/43/37/69/387433769.db2.gz CWDXGVLMPXCZSD-MFKMUULPSA-N 2 1 237.347 0.291 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCC[NH3+] ZINC000423855442 387436452 /nfs/dbraw/zinc/43/64/52/387436452.db2.gz XDSNSWXHKVMQOD-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000423893726 387446583 /nfs/dbraw/zinc/44/65/83/387446583.db2.gz ATDBXJKZAYBNOQ-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423945349 387455529 /nfs/dbraw/zinc/45/55/29/387455529.db2.gz AUTPTHBJPDMCCY-JTQLQIEISA-N 2 1 229.368 0.816 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656638 387392064 /nfs/dbraw/zinc/39/20/64/387392064.db2.gz XICAELQFNMYBCA-IJLUTSLNSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000648112098 387394547 /nfs/dbraw/zinc/39/45/47/387394547.db2.gz UOJVDJSGVXMKLP-DDHJBXDOSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000423769992 387420131 /nfs/dbraw/zinc/42/01/31/387420131.db2.gz GSPXXSMGUOXOFC-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304648796 387498425 /nfs/dbraw/zinc/49/84/25/387498425.db2.gz YCDHOIQHHSSEFQ-CMPLNLGQSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304648796 387498429 /nfs/dbraw/zinc/49/84/29/387498429.db2.gz YCDHOIQHHSSEFQ-CMPLNLGQSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375257531 387519137 /nfs/dbraw/zinc/51/91/37/387519137.db2.gz YUQQSHLVEVOXSE-ZSBIGDGJSA-N 2 1 239.363 0.807 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408717 387520661 /nfs/dbraw/zinc/52/06/61/387520661.db2.gz KJZWSUIFIAPKKQ-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000361724729 387527647 /nfs/dbraw/zinc/52/76/47/387527647.db2.gz APXMZVAPVHSHEK-QJPTWQEYSA-N 2 1 237.347 0.420 20 0 BCADMP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422020208 387538264 /nfs/dbraw/zinc/53/82/64/387538264.db2.gz LIJHXAJGACQTHU-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH3+] ZINC000424013440 387466532 /nfs/dbraw/zinc/46/65/32/387466532.db2.gz WKJLVVLUUJACFJ-AOOOYVTPSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424007344 387466775 /nfs/dbraw/zinc/46/67/75/387466775.db2.gz VGRGZBPXHCQTEH-NWDGAFQWSA-N 2 1 241.379 0.770 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424048046 387470576 /nfs/dbraw/zinc/47/05/76/387470576.db2.gz PVQQEHONRJBHQH-UHFFFAOYSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361505571 387474787 /nfs/dbraw/zinc/47/47/87/387474787.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000361505571 387474793 /nfs/dbraw/zinc/47/47/93/387474793.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000361505571 387474797 /nfs/dbraw/zinc/47/47/97/387474797.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000304437642 387479705 /nfs/dbraw/zinc/47/97/05/387479705.db2.gz URNWZZSMETZMPP-RYUDHWBXSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000375912754 387592748 /nfs/dbraw/zinc/59/27/48/387592748.db2.gz QYUFKTBRTSSEFQ-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736009 387595075 /nfs/dbraw/zinc/59/50/75/387595075.db2.gz RSALLRSFYKULGN-LOWVWBTDSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422603797 387605802 /nfs/dbraw/zinc/60/58/02/387605802.db2.gz ADFSFYYMYVYADX-MNOVXSKESA-N 2 1 242.367 0.317 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606654 387606189 /nfs/dbraw/zinc/60/61/89/387606189.db2.gz JHKGTTTWUXQXHK-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC000362398559 387607460 /nfs/dbraw/zinc/60/74/60/387607460.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687715 387612145 /nfs/dbraw/zinc/61/21/45/387612145.db2.gz BYKASLQYIHTPCT-XQQFMLRXSA-N 2 1 225.380 0.916 20 0 BCADMP CC[C@@H](C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422687643 387613009 /nfs/dbraw/zinc/61/30/09/387613009.db2.gz BQSAQUZHXFQHLY-ZDUSSCGKSA-N 2 1 249.358 0.972 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422705165 387621498 /nfs/dbraw/zinc/62/14/98/387621498.db2.gz BHGSGQJTKVBUFA-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@@H+](C)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422709766 387624188 /nfs/dbraw/zinc/62/41/88/387624188.db2.gz DYVZCSNMEMYVIW-STQMWFEESA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCC[NH2+]1 ZINC000422712465 387625166 /nfs/dbraw/zinc/62/51/66/387625166.db2.gz OFWPOYOYJJVPQS-WOPDTQHZSA-N 2 1 228.336 0.522 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000305112187 387556199 /nfs/dbraw/zinc/55/61/99/387556199.db2.gz GJDBWGMLTWNBCZ-GHMZBOCLSA-N 2 1 244.379 0.845 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399654592 387561632 /nfs/dbraw/zinc/56/16/32/387561632.db2.gz NZMMKZAVNGTHKS-RYUDHWBXSA-N 2 1 241.379 0.770 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cnn(C)c1 ZINC000430551001 387627739 /nfs/dbraw/zinc/62/77/39/387627739.db2.gz PIRRQGMIHMUVPK-GFCCVEGCSA-N 2 1 224.352 0.926 20 0 BCADMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367392263 387576282 /nfs/dbraw/zinc/57/62/82/387576282.db2.gz NWBYYXSFUMHDAA-BDAKNGLRSA-N 2 1 247.289 0.052 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C(=O)NC)C(C)C)CC1 ZINC000426500242 387577252 /nfs/dbraw/zinc/57/72/52/387577252.db2.gz MMMAZMKXLNAOPO-LBPRGKRZSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCSCC1 ZINC000422718037 387631904 /nfs/dbraw/zinc/63/19/04/387631904.db2.gz WQWFFDUFYXWYLE-NWDGAFQWSA-N 2 1 243.420 0.623 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000430704136 387642267 /nfs/dbraw/zinc/64/22/67/387642267.db2.gz WPVMAUMWUBUVTK-UHFFFAOYSA-N 2 1 245.367 0.056 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000430702722 387643164 /nfs/dbraw/zinc/64/31/64/387643164.db2.gz RPPVUUKJIJJHAX-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000430795864 387652575 /nfs/dbraw/zinc/65/25/75/387652575.db2.gz IMXCEHWTVWYABR-MXWKQRLJSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H]([NH2+]CC1(C(N)=O)CCCC1)[C@H]1CCC[NH2+]1 ZINC000422748144 387653625 /nfs/dbraw/zinc/65/36/25/387653625.db2.gz SDZWAEMHVQJBME-WDEREUQCSA-N 2 1 239.363 0.762 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000430802244 387653870 /nfs/dbraw/zinc/65/38/70/387653870.db2.gz KTNALVGEXCFZTA-LBPRGKRZSA-N 2 1 239.363 0.396 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430899996 387658910 /nfs/dbraw/zinc/65/89/10/387658910.db2.gz OCAGDRRPDXBYEN-QWRGUYRKSA-N 2 1 225.336 0.419 20 0 BCADMP CN(C(=O)CC[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000430900944 387659486 /nfs/dbraw/zinc/65/94/86/387659486.db2.gz RWQVXNBMDKWMPR-JTQLQIEISA-N 2 1 211.309 0.030 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430920482 387661142 /nfs/dbraw/zinc/66/11/42/387661142.db2.gz PFQOVQKIFFPYQQ-UTUOFQBUSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430920482 387661146 /nfs/dbraw/zinc/66/11/46/387661146.db2.gz PFQOVQKIFFPYQQ-UTUOFQBUSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000430919665 387661432 /nfs/dbraw/zinc/66/14/32/387661432.db2.gz MAXHRFWUFWOTJC-ADEWGFFLSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000430919665 387661435 /nfs/dbraw/zinc/66/14/35/387661435.db2.gz MAXHRFWUFWOTJC-ADEWGFFLSA-N 2 1 237.347 0.419 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937508 387664066 /nfs/dbraw/zinc/66/40/66/387664066.db2.gz CHDXQWZOXQKVQL-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430963330 387665708 /nfs/dbraw/zinc/66/57/08/387665708.db2.gz UHWADGNCWSWPGM-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430963330 387665714 /nfs/dbraw/zinc/66/57/14/387665714.db2.gz UHWADGNCWSWPGM-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422765329 387666497 /nfs/dbraw/zinc/66/64/97/387666497.db2.gz OVSFSHHCVITDHH-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH3+])CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000431004012 387666714 /nfs/dbraw/zinc/66/67/14/387666714.db2.gz PVHRCMSZIBDLFY-QMMMGPOBSA-N 2 1 222.292 0.823 20 0 BCADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc[nH+]1 ZINC000424137727 387667630 /nfs/dbraw/zinc/66/76/30/387667630.db2.gz BEEHUUKZPNVFNA-BDAKNGLRSA-N 2 1 220.276 0.433 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769020 387669012 /nfs/dbraw/zinc/66/90/12/387669012.db2.gz ZWRAGSZWFABDRJ-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000431022324 387670523 /nfs/dbraw/zinc/67/05/23/387670523.db2.gz NICAIGMHNQUEJZ-IVZWLZJFSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025371 387671235 /nfs/dbraw/zinc/67/12/35/387671235.db2.gz YZKCFKPIIMPVKR-JFGNBEQYSA-N 2 1 237.347 0.195 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431022920 387671505 /nfs/dbraw/zinc/67/15/05/387671505.db2.gz FXJAPMRBBGQPIO-UMNHJUIQSA-N 2 1 239.363 0.441 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000431022322 387671554 /nfs/dbraw/zinc/67/15/54/387671554.db2.gz NICAIGMHNQUEJZ-AEJSXWLSSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025372 387671632 /nfs/dbraw/zinc/67/16/32/387671632.db2.gz YZKCFKPIIMPVKR-SCVCMEIPSA-N 2 1 237.347 0.195 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424138637 387671888 /nfs/dbraw/zinc/67/18/88/387671888.db2.gz DKAOWZODDPAKRB-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000126463305 387683316 /nfs/dbraw/zinc/68/33/16/387683316.db2.gz CBUDERRNLUKJAS-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000356644299 387684975 /nfs/dbraw/zinc/68/49/75/387684975.db2.gz MCAYPRGDHVSJPB-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422787276 387686584 /nfs/dbraw/zinc/68/65/84/387686584.db2.gz UMNJASSIMBJYSK-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP COCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422787276 387686591 /nfs/dbraw/zinc/68/65/91/387686591.db2.gz UMNJASSIMBJYSK-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000424140586 387689906 /nfs/dbraw/zinc/68/99/06/387689906.db2.gz BJOMWSUAAMECQG-AXFHLTTASA-N 2 1 223.320 0.029 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000422742954 387690278 /nfs/dbraw/zinc/69/02/78/387690278.db2.gz HJQUWHPLFREFLI-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP C[C@H](NCC[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862208 387743733 /nfs/dbraw/zinc/74/37/33/387743733.db2.gz PISMDUHMYFMUJG-RYUDHWBXSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000441374703 387753334 /nfs/dbraw/zinc/75/33/34/387753334.db2.gz GOGNIYJNGLTYPB-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000441374703 387753340 /nfs/dbraw/zinc/75/33/40/387753340.db2.gz GOGNIYJNGLTYPB-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@@H+](CC)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422822819 387716400 /nfs/dbraw/zinc/71/64/00/387716400.db2.gz KSFLFTIPDQLCKQ-NSHDSACASA-N 2 1 213.369 0.916 20 0 BCADMP C[NH+](C/C=C/C[N@@H+](C)CCCO)CCCO ZINC000440955782 387717266 /nfs/dbraw/zinc/71/72/66/387717266.db2.gz YECRMHMVODMPJQ-ONEGZZNKSA-N 2 1 230.352 0.171 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000127587025 387719787 /nfs/dbraw/zinc/71/97/87/387719787.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000127587025 387719796 /nfs/dbraw/zinc/71/97/96/387719796.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000127587025 387719802 /nfs/dbraw/zinc/71/98/02/387719802.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CN(C)[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828086 387721888 /nfs/dbraw/zinc/72/18/88/387721888.db2.gz SSDFZLGQSLSLBZ-WOPDTQHZSA-N 2 1 243.420 0.893 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424142529 387730746 /nfs/dbraw/zinc/73/07/46/387730746.db2.gz YKHXNEBCUBMROU-VPOLOUISSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422789515 387731329 /nfs/dbraw/zinc/73/13/29/387731329.db2.gz TYZSXDXIFXXUQX-BJDJZHNGSA-N 2 1 214.353 0.981 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422848135 387734171 /nfs/dbraw/zinc/73/41/71/387734171.db2.gz SNPJDISCMZKOBH-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422852228 387737940 /nfs/dbraw/zinc/73/79/40/387737940.db2.gz XSDVHFYMTWFICM-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422890336 387763660 /nfs/dbraw/zinc/76/36/60/387763660.db2.gz RSRNZORJSDVXEV-AGIUHOORSA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424147500 387780921 /nfs/dbraw/zinc/78/09/21/387780921.db2.gz RHSKWGZVOTWLLL-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527952683 387782681 /nfs/dbraw/zinc/78/26/81/387782681.db2.gz ISJJIZFMPZGUSE-MROQNXINSA-N 2 1 242.363 0.456 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422901817 387787202 /nfs/dbraw/zinc/78/72/02/387787202.db2.gz CLDNGECAJUVUDL-MNOVXSKESA-N 2 1 213.369 0.914 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979522 387788547 /nfs/dbraw/zinc/78/85/47/387788547.db2.gz MYXMJFBVCZUYSP-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422980417 387790747 /nfs/dbraw/zinc/79/07/47/387790747.db2.gz PJURWBWCSVZRIM-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422980507 387791013 /nfs/dbraw/zinc/79/10/13/387791013.db2.gz PYVHPKBOPBRCRQ-JLLWLGSASA-N 2 1 212.337 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422981837 387793143 /nfs/dbraw/zinc/79/31/43/387793143.db2.gz UOVGMJRKYYGHKT-LMLFDSFASA-N 2 1 232.393 0.686 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422982915 387793380 /nfs/dbraw/zinc/79/33/80/387793380.db2.gz YEFAKYWGYIPQPM-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982918 387793457 /nfs/dbraw/zinc/79/34/57/387793457.db2.gz YEFAKYWGYIPQPM-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422981607 387793614 /nfs/dbraw/zinc/79/36/14/387793614.db2.gz TXPYLUDXLFFLPZ-IJLUTSLNSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988088 387797190 /nfs/dbraw/zinc/79/71/90/387797190.db2.gz ICTIXDATTJJFBX-NDBYEHHHSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988088 387797191 /nfs/dbraw/zinc/79/71/91/387797191.db2.gz ICTIXDATTJJFBX-NDBYEHHHSA-N 2 1 225.380 0.914 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422988855 387798171 /nfs/dbraw/zinc/79/81/71/387798171.db2.gz ACNQGZDLBJJYEN-SRVKXCTJSA-N 2 1 244.404 0.975 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422991367 387800676 /nfs/dbraw/zinc/80/06/76/387800676.db2.gz PMVUFIRJMVUZMH-HBNTYKKESA-N 2 1 200.326 0.591 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422994540 387801590 /nfs/dbraw/zinc/80/15/90/387801590.db2.gz VOIABIILGZDGOS-AXFHLTTASA-N 2 1 200.326 0.733 20 0 BCADMP C[C@@H]([NH3+])CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442667076 387820069 /nfs/dbraw/zinc/82/00/69/387820069.db2.gz VDBQPVNPPMQRMM-DGCLKSJQSA-N 2 1 225.380 0.997 20 0 BCADMP C[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000418321289 387821310 /nfs/dbraw/zinc/82/13/10/387821310.db2.gz YLLQYBNWJRIARG-LLVKDONJSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCCCO ZINC000422973939 387824493 /nfs/dbraw/zinc/82/44/93/387824493.db2.gz CYNMDFLXZWLCBP-QWRGUYRKSA-N 2 1 232.393 0.690 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424157166 387826328 /nfs/dbraw/zinc/82/63/28/387826328.db2.gz QTKRPNMQKJEPSZ-TUAOUCFPSA-N 2 1 248.330 0.530 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528023093 387828948 /nfs/dbraw/zinc/82/89/48/387828948.db2.gz DIKCUNGSEGAYKB-ZYHUDNBSSA-N 2 1 212.337 0.953 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000424157579 387830698 /nfs/dbraw/zinc/83/06/98/387830698.db2.gz PZQIIDLSBULDOL-ADEWGFFLSA-N 2 1 237.347 0.467 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000418324180 387831255 /nfs/dbraw/zinc/83/12/55/387831255.db2.gz HGXBTCBCRMQIKL-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423008954 387831524 /nfs/dbraw/zinc/83/15/24/387831524.db2.gz UXDTYQQPPDBUAA-QWRGUYRKSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@H]1CCNC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075738 387873299 /nfs/dbraw/zinc/87/32/99/387873299.db2.gz XSYFXSVQYJSBMQ-NWDGAFQWSA-N 2 1 229.368 0.152 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](CC)[C@H]1CCCC[NH2+]1 ZINC000423011701 387833630 /nfs/dbraw/zinc/83/36/30/387833630.db2.gz ZVSBTFNXJJDMGN-FRRDWIJNSA-N 2 1 244.379 0.894 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423009386 387834783 /nfs/dbraw/zinc/83/47/83/387834783.db2.gz VLDNOPBFRUPJST-UTUOFQBUSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCN(C2CC2)C1=O ZINC000442751177 387834869 /nfs/dbraw/zinc/83/48/69/387834869.db2.gz BTVJGUFSYGFANK-SCVCMEIPSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777708 387837649 /nfs/dbraw/zinc/83/76/49/387837649.db2.gz JQWTVBFTJHGUDT-GRYCIOLGSA-N 2 1 241.379 0.911 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424159447 387839090 /nfs/dbraw/zinc/83/90/90/387839090.db2.gz SUYSWBDJPWBVCQ-BBBLOLIVSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424159411 387839504 /nfs/dbraw/zinc/83/95/04/387839504.db2.gz SPMIGJFCQIFPLJ-TUAOUCFPSA-N 2 1 239.363 0.570 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442794557 387841632 /nfs/dbraw/zinc/84/16/32/387841632.db2.gz TZBCZGSHPODVQO-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000442792520 387842211 /nfs/dbraw/zinc/84/22/11/387842211.db2.gz QHVSIVAYKQVARA-TUAOUCFPSA-N 2 1 239.363 0.665 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423031556 387845434 /nfs/dbraw/zinc/84/54/34/387845434.db2.gz XCUPJSCVPNYDNV-DDHJBXDOSA-N 2 1 239.363 0.631 20 0 BCADMP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423029440 387845708 /nfs/dbraw/zinc/84/57/08/387845708.db2.gz AHNONIAUKPBVFO-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]1N ZINC000423029440 387845714 /nfs/dbraw/zinc/84/57/14/387845714.db2.gz AHNONIAUKPBVFO-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP CC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423037953 387850719 /nfs/dbraw/zinc/85/07/19/387850719.db2.gz NUIGICMBSWROHH-AGIUHOORSA-N 2 1 241.379 0.173 20 0 BCADMP CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038156 387851461 /nfs/dbraw/zinc/85/14/61/387851461.db2.gz NUIGICMBSWROHH-RWMBFGLXSA-N 2 1 241.379 0.173 20 0 BCADMP CC[C@H]([NH2+]C[C@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000423042176 387854891 /nfs/dbraw/zinc/85/48/91/387854891.db2.gz KJSCULXXTKJLFG-WOPDTQHZSA-N 2 1 230.352 0.768 20 0 BCADMP CC1=CC[N@@H+](CCN[C@H](C)C2C[NH2+]C2)CC1 ZINC000423041898 387856197 /nfs/dbraw/zinc/85/61/97/387856197.db2.gz YBEWBIQPPVUBSC-GFCCVEGCSA-N 2 1 223.364 0.836 20 0 BCADMP CC1=CCN(CC[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000423041898 387856201 /nfs/dbraw/zinc/85/62/01/387856201.db2.gz YBEWBIQPPVUBSC-GFCCVEGCSA-N 2 1 223.364 0.836 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168432 387857641 /nfs/dbraw/zinc/85/76/41/387857641.db2.gz FSHPPZPQOWGIMS-VWYCJHECSA-N 2 1 225.336 0.132 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653512 387858252 /nfs/dbraw/zinc/85/82/52/387858252.db2.gz RPXSYBRVUGSFBD-TXEJJXNPSA-N 2 1 239.363 0.348 20 0 BCADMP COCCOCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193614368 387858459 /nfs/dbraw/zinc/85/84/59/387858459.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 2 1 228.336 0.143 20 0 BCADMP COCCOCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193614368 387858462 /nfs/dbraw/zinc/85/84/62/387858462.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 2 1 228.336 0.143 20 0 BCADMP COCCOCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193614368 387858467 /nfs/dbraw/zinc/85/84/67/387858467.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 2 1 228.336 0.143 20 0 BCADMP COCCOCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193614368 387858469 /nfs/dbraw/zinc/85/84/69/387858469.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 2 1 228.336 0.143 20 0 BCADMP CCOC(=O)CCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193610081 387859879 /nfs/dbraw/zinc/85/98/79/387859879.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610081 387859881 /nfs/dbraw/zinc/85/98/81/387859881.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610081 387859884 /nfs/dbraw/zinc/85/98/84/387859884.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193610081 387859886 /nfs/dbraw/zinc/85/98/86/387859886.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 2 1 240.347 0.823 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC000433082193 387862747 /nfs/dbraw/zinc/86/27/47/387862747.db2.gz JDRNITHHTCLTMV-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422970007 387818079 /nfs/dbraw/zinc/81/80/79/387818079.db2.gz DWMKCESLFHXIGC-RWMBFGLXSA-N 2 1 244.379 0.750 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000442667703 387819027 /nfs/dbraw/zinc/81/90/27/387819027.db2.gz ZRDLKLVNBDQFIP-TUAOUCFPSA-N 2 1 213.369 0.996 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422969407 387819203 /nfs/dbraw/zinc/81/92/03/387819203.db2.gz UKMYKWNDFMIYTO-NXEZZACHSA-N 2 1 227.352 0.346 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422970004 387819759 /nfs/dbraw/zinc/81/97/59/387819759.db2.gz DWMKCESLFHXIGC-AVGNSLFASA-N 2 1 244.379 0.750 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000424175002 387877783 /nfs/dbraw/zinc/87/77/83/387877783.db2.gz OZJQLFCDHUBVBL-WISYIIOYSA-N 2 1 237.347 0.276 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857438 387877825 /nfs/dbraw/zinc/87/78/25/387877825.db2.gz FPWOKRWOPZMHKS-LLVKDONJSA-N 2 1 239.363 0.585 20 0 BCADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423082856 387878083 /nfs/dbraw/zinc/87/80/83/387878083.db2.gz DWJUKTJVRMVLSP-KXNHARMFSA-N 2 1 240.347 0.916 20 0 BCADMP CC[C@@H](C(=O)NCC[NH+]1CCC1)[NH+](CC)CC ZINC000443971537 387880420 /nfs/dbraw/zinc/88/04/20/387880420.db2.gz KUHZNZISCURTKW-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CC=CCC1 ZINC000423094546 387885648 /nfs/dbraw/zinc/88/56/48/387885648.db2.gz KJDWDJUSJMLSPO-VXGBXAGGSA-N 2 1 211.353 0.964 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+]1CC=CCC1 ZINC000423094546 387885653 /nfs/dbraw/zinc/88/56/53/387885653.db2.gz KJDWDJUSJMLSPO-VXGBXAGGSA-N 2 1 211.353 0.964 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCCO1 ZINC000313358093 387887680 /nfs/dbraw/zinc/88/76/80/387887680.db2.gz SRKMHERXJXRBKT-NEPJUHHUSA-N 2 1 228.336 0.605 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123103 387902543 /nfs/dbraw/zinc/90/25/43/387902543.db2.gz MATQISLUGOKDNN-MNOVXSKESA-N 2 1 213.369 0.913 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236765620 387905262 /nfs/dbraw/zinc/90/52/62/387905262.db2.gz QHJDCFCQQPSESD-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236763784 387906406 /nfs/dbraw/zinc/90/64/06/387906406.db2.gz QHJDCFCQQPSESD-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400451786 387912597 /nfs/dbraw/zinc/91/25/97/387912597.db2.gz OUJPTFIDAHNNII-WDEREUQCSA-N 2 1 227.352 0.633 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444710934 387915479 /nfs/dbraw/zinc/91/54/79/387915479.db2.gz WDKWKCBUHFBNNQ-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444710934 387915484 /nfs/dbraw/zinc/91/54/84/387915484.db2.gz WDKWKCBUHFBNNQ-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP [NH3+]C[C@H]1CCCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514672937 387921286 /nfs/dbraw/zinc/92/12/86/387921286.db2.gz AZJYGEDPCNYBMX-UPJWGTAASA-N 2 1 239.363 0.273 20 0 BCADMP [NH3+]C[C@H]1CCCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514672937 387921289 /nfs/dbraw/zinc/92/12/89/387921289.db2.gz AZJYGEDPCNYBMX-UPJWGTAASA-N 2 1 239.363 0.273 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N(C)C)CC[N@H+]1C ZINC000156142682 387923235 /nfs/dbraw/zinc/92/32/35/387923235.db2.gz HDBGXQMGCZRCNC-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP COc1nccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423145316 387923348 /nfs/dbraw/zinc/92/33/48/387923348.db2.gz KBKVNXUWHNBOEG-MWLCHTKSSA-N 2 1 236.319 0.702 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423157555 387937138 /nfs/dbraw/zinc/93/71/38/387937138.db2.gz BEMAMKFWULKSJF-JLLWLGSASA-N 2 1 212.337 0.735 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148841 387928221 /nfs/dbraw/zinc/92/82/21/387928221.db2.gz WRHMMDDWGQXUBF-FRRDWIJNSA-N 2 1 244.379 0.894 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148843 387928477 /nfs/dbraw/zinc/92/84/77/387928477.db2.gz WRHMMDDWGQXUBF-RWMBFGLXSA-N 2 1 244.379 0.894 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCc2cn[nH]c2)CCCO1 ZINC000313377015 387941342 /nfs/dbraw/zinc/94/13/42/387941342.db2.gz FCXGRWJGDITYSO-NSHDSACASA-N 2 1 224.308 0.002 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCc2cn[nH]c2)CCCO1 ZINC000313377015 387941347 /nfs/dbraw/zinc/94/13/47/387941347.db2.gz FCXGRWJGDITYSO-NSHDSACASA-N 2 1 224.308 0.002 20 0 BCADMP C[C@@H](CNC(=O)C1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000226398458 387949230 /nfs/dbraw/zinc/94/92/30/387949230.db2.gz FNEAFFQNOFWTIA-JTQLQIEISA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423176037 387961364 /nfs/dbraw/zinc/96/13/64/387961364.db2.gz BQEYFYDKYKEDSN-CHWSQXEVSA-N 3 1 240.395 0.012 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245650519 387970032 /nfs/dbraw/zinc/97/00/32/387970032.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245650519 387970040 /nfs/dbraw/zinc/97/00/40/387970040.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245650519 387970045 /nfs/dbraw/zinc/97/00/45/387970045.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH2+]CC2)C1 ZINC000423185897 387970227 /nfs/dbraw/zinc/97/02/27/387970227.db2.gz NUUPLMWZJGSOAO-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CC2(C[N@H+]1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368494 387992200 /nfs/dbraw/zinc/99/22/00/387992200.db2.gz AAWMPJCURXPTSA-NSHDSACASA-N 2 1 249.362 0.779 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000424368046 387992215 /nfs/dbraw/zinc/99/22/15/387992215.db2.gz OQXGRXIIWFFITG-LLVKDONJSA-N 3 1 247.333 0.820 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424369643 387994931 /nfs/dbraw/zinc/99/49/31/387994931.db2.gz CUCUPIPWZCJSPT-RKDXNWHRSA-N 2 1 249.305 0.345 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424369641 387994961 /nfs/dbraw/zinc/99/49/61/387994961.db2.gz CUCUPIPWZCJSPT-IUCAKERBSA-N 2 1 249.305 0.345 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196997 387982462 /nfs/dbraw/zinc/98/24/62/387982462.db2.gz XENIDKKPRFSLPM-NQBHXWOUSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000420405873 387998781 /nfs/dbraw/zinc/99/87/81/387998781.db2.gz NBISYCUBACMDNE-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645889487 388006454 /nfs/dbraw/zinc/00/64/54/388006454.db2.gz LLHKRUSUVVLDEE-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423226368 388009011 /nfs/dbraw/zinc/00/90/11/388009011.db2.gz QMERZEOKSUIOCO-JBLDHEPKSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423226368 388009014 /nfs/dbraw/zinc/00/90/14/388009014.db2.gz QMERZEOKSUIOCO-JBLDHEPKSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423226370 388009084 /nfs/dbraw/zinc/00/90/84/388009084.db2.gz QMERZEOKSUIOCO-NHCYSSNCSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423226370 388009086 /nfs/dbraw/zinc/00/90/86/388009086.db2.gz QMERZEOKSUIOCO-NHCYSSNCSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370983 387996291 /nfs/dbraw/zinc/99/62/91/387996291.db2.gz FLPMIKUPOMHMRF-DDHJBXDOSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370983 387996294 /nfs/dbraw/zinc/99/62/94/387996294.db2.gz FLPMIKUPOMHMRF-DDHJBXDOSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229375 388014952 /nfs/dbraw/zinc/01/49/52/388014952.db2.gz BASYYRQXCQEJNA-MDZLAQPJSA-N 2 1 223.364 0.811 20 0 BCADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234864 388018112 /nfs/dbraw/zinc/01/81/12/388018112.db2.gz MJHWOKOUCSPYFF-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+]CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423236371 388021466 /nfs/dbraw/zinc/02/14/66/388021466.db2.gz CBKAAUYOHOZEAO-QWRGUYRKSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423244861 388028018 /nfs/dbraw/zinc/02/80/18/388028018.db2.gz XWMOPMZQAUYLGW-WOPDTQHZSA-N 2 1 223.364 0.953 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423249465 388031798 /nfs/dbraw/zinc/03/17/98/388031798.db2.gz SEHQMCXGAJOIEV-GARJFASQSA-N 2 1 228.336 0.773 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294461 388076960 /nfs/dbraw/zinc/07/69/60/388076960.db2.gz CAIMKIZLFADBOG-MDZLAQPJSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423325011 388078134 /nfs/dbraw/zinc/07/81/34/388078134.db2.gz LKHAKNNZVFAUFT-OPRDCNLKSA-N 2 1 235.322 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423325011 388078136 /nfs/dbraw/zinc/07/81/36/388078136.db2.gz LKHAKNNZVFAUFT-OPRDCNLKSA-N 2 1 235.322 0.899 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423325012 388079083 /nfs/dbraw/zinc/07/90/83/388079083.db2.gz LKHAKNNZVFAUFT-UTLUCORTSA-N 2 1 235.322 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423325012 388079085 /nfs/dbraw/zinc/07/90/85/388079085.db2.gz LKHAKNNZVFAUFT-UTLUCORTSA-N 2 1 235.322 0.899 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958580 388086929 /nfs/dbraw/zinc/08/69/29/388086929.db2.gz ASYZRLWXPYEDKB-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958580 388086932 /nfs/dbraw/zinc/08/69/32/388086932.db2.gz ASYZRLWXPYEDKB-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP C(C[NH2+][C@H]1CC[NH2+]C1)COC[C@H]1CCCO1 ZINC000086725496 388107447 /nfs/dbraw/zinc/10/74/47/388107447.db2.gz VNUAOKGYJSQRNP-NWDGAFQWSA-N 2 1 228.336 0.524 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271322 388049259 /nfs/dbraw/zinc/04/92/59/388049259.db2.gz IXZQUKPQMSZSPU-VXGBXAGGSA-N 2 1 229.368 0.280 20 0 BCADMP COCCN1CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000423271322 388049264 /nfs/dbraw/zinc/04/92/64/388049264.db2.gz IXZQUKPQMSZSPU-VXGBXAGGSA-N 2 1 229.368 0.280 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454466562 388119566 /nfs/dbraw/zinc/11/95/66/388119566.db2.gz ILGMSTXMYUHJCI-NSHDSACASA-N 2 1 244.383 0.576 20 0 BCADMP COC[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104867 388142952 /nfs/dbraw/zinc/14/29/52/388142952.db2.gz ZXILCKOAQUSQKF-LBPRGKRZSA-N 2 1 242.363 0.818 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000449124423 388146322 /nfs/dbraw/zinc/14/63/22/388146322.db2.gz QFXWPPXDJRRCNW-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000449124423 388146324 /nfs/dbraw/zinc/14/63/24/388146324.db2.gz QFXWPPXDJRRCNW-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000449124422 388146336 /nfs/dbraw/zinc/14/63/36/388146336.db2.gz QFXWPPXDJRRCNW-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000449124422 388146338 /nfs/dbraw/zinc/14/63/38/388146338.db2.gz QFXWPPXDJRRCNW-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449570235 388235741 /nfs/dbraw/zinc/23/57/41/388235741.db2.gz AFOXVRUENIKWQS-LBPRGKRZSA-N 2 1 245.342 0.488 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449575113 388236298 /nfs/dbraw/zinc/23/62/98/388236298.db2.gz KDDUTXCFHGOMKD-JFGNBEQYSA-N 2 1 245.342 0.520 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608567 388241644 /nfs/dbraw/zinc/24/16/44/388241644.db2.gz IKABFTBXTUWDAO-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[N@@H+](C)C(C)C ZINC000449608503 388241782 /nfs/dbraw/zinc/24/17/82/388241782.db2.gz IDANXQIBNQQUMK-VIFPVBQESA-N 2 1 201.314 0.180 20 0 BCADMP CC[N@@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491868743 388325477 /nfs/dbraw/zinc/32/54/77/388325477.db2.gz MNQWTMWZPAQMCE-SREVYHEPSA-N 2 1 213.325 0.172 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953095 388268814 /nfs/dbraw/zinc/26/88/14/388268814.db2.gz ANFHBZVGXMIKGG-JBLDHEPKSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000226314889 388349302 /nfs/dbraw/zinc/34/93/02/388349302.db2.gz BBPMESHSZGGBTF-UHFFFAOYSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(N)=[NH2+])C1 ZINC000303265081 388350573 /nfs/dbraw/zinc/35/05/73/388350573.db2.gz TXLYGQJTLYSQEW-AOOOYVTPSA-N 2 1 212.341 0.837 20 0 BCADMP COC[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000276694549 388351444 /nfs/dbraw/zinc/35/14/44/388351444.db2.gz SQWFCYGEOJDYKP-GFCCVEGCSA-N 2 1 223.320 0.977 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646417778 388354347 /nfs/dbraw/zinc/35/43/47/388354347.db2.gz DSWVHMXNHDZWEW-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000572731455 388371059 /nfs/dbraw/zinc/37/10/59/388371059.db2.gz ZPWRIDHSOSJWEA-KHQFGBGNSA-N 2 1 249.305 0.473 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235683833 388374622 /nfs/dbraw/zinc/37/46/22/388374622.db2.gz AFRSBEZGIVYQIR-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235683833 388374624 /nfs/dbraw/zinc/37/46/24/388374624.db2.gz AFRSBEZGIVYQIR-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000646568052 388384501 /nfs/dbraw/zinc/38/45/01/388384501.db2.gz VTFXZEDQKDVWST-LLVKDONJSA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH3+])C(C)C ZINC000236857615 388385026 /nfs/dbraw/zinc/38/50/26/388385026.db2.gz GNTQLZWGGSWBBC-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572899162 388385269 /nfs/dbraw/zinc/38/52/69/388385269.db2.gz VFIKCERQAOUJBF-JTQLQIEISA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000236906972 388385609 /nfs/dbraw/zinc/38/56/09/388385609.db2.gz LUXVWMSKEUONJL-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000237115340 388389597 /nfs/dbraw/zinc/38/95/97/388389597.db2.gz XOOXYIOBOXZRLR-JTQLQIEISA-N 2 1 215.341 0.298 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCCO1 ZINC000300767587 388392331 /nfs/dbraw/zinc/39/23/31/388392331.db2.gz AAAOUFRSKBAMFJ-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP CN(C)C(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308634166 388446090 /nfs/dbraw/zinc/44/60/90/388446090.db2.gz LBMQDVCEZZLIPB-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000646742805 388451587 /nfs/dbraw/zinc/45/15/87/388451587.db2.gz FGPSTRKRWINXTR-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000335663458 388454178 /nfs/dbraw/zinc/45/41/78/388454178.db2.gz PYCQIEIAPXJIRZ-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000336715712 388467646 /nfs/dbraw/zinc/46/76/46/388467646.db2.gz SVHDKPNANVMOBR-MWLCHTKSSA-N 2 1 238.335 0.681 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467919 /nfs/dbraw/zinc/46/79/19/388467919.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467922 /nfs/dbraw/zinc/46/79/22/388467922.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@H](O)CN1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468789 /nfs/dbraw/zinc/46/87/89/388468789.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468792 /nfs/dbraw/zinc/46/87/92/388468792.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468794 /nfs/dbraw/zinc/46/87/94/388468794.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468796 /nfs/dbraw/zinc/46/87/96/388468796.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468798 /nfs/dbraw/zinc/46/87/98/388468798.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722003 388468800 /nfs/dbraw/zinc/46/88/00/388468800.db2.gz SQLZRINPPSRMLM-NWDGAFQWSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@H+](CCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336722134 388468896 /nfs/dbraw/zinc/46/88/96/388468896.db2.gz APAUUPBVRWSJMD-NSHDSACASA-N 2 1 224.304 0.317 20 0 BCADMP C[N@@H+](CCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336722134 388468897 /nfs/dbraw/zinc/46/88/97/388468897.db2.gz APAUUPBVRWSJMD-NSHDSACASA-N 2 1 224.304 0.317 20 0 BCADMP C[N@H+](CCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000336722127 388468913 /nfs/dbraw/zinc/46/89/13/388468913.db2.gz APAUUPBVRWSJMD-LLVKDONJSA-N 2 1 224.304 0.317 20 0 BCADMP C[N@@H+](CCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000336722127 388468915 /nfs/dbraw/zinc/46/89/15/388468915.db2.gz APAUUPBVRWSJMD-LLVKDONJSA-N 2 1 224.304 0.317 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000514792223 256720256 /nfs/dbraw/zinc/72/02/56/256720256.db2.gz IZCQRABCOWETDS-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[C@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000352893499 388539550 /nfs/dbraw/zinc/53/95/50/388539550.db2.gz OWPVQXAOGTUAMU-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352893499 388539552 /nfs/dbraw/zinc/53/95/52/388539552.db2.gz OWPVQXAOGTUAMU-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000528562404 388546859 /nfs/dbraw/zinc/54/68/59/388546859.db2.gz PSPJTSLFBCKMGL-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000528562404 388546861 /nfs/dbraw/zinc/54/68/61/388546861.db2.gz PSPJTSLFBCKMGL-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000649273240 388483926 /nfs/dbraw/zinc/48/39/26/388483926.db2.gz ZMNXGIVKIPVSDY-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784792 388486724 /nfs/dbraw/zinc/48/67/24/388486724.db2.gz WPBXJPZGCJOEBT-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784792 388486728 /nfs/dbraw/zinc/48/67/28/388486728.db2.gz WPBXJPZGCJOEBT-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784792 388486731 /nfs/dbraw/zinc/48/67/31/388486731.db2.gz WPBXJPZGCJOEBT-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784792 388486733 /nfs/dbraw/zinc/48/67/33/388486733.db2.gz WPBXJPZGCJOEBT-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277219 388499858 /nfs/dbraw/zinc/49/98/58/388499858.db2.gz MXDOLKMLPOUOQG-NNYUYHANSA-N 2 1 237.347 0.052 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1CCCn1ccnc1 ZINC000343632263 388502287 /nfs/dbraw/zinc/50/22/87/388502287.db2.gz RWUPKSYGOHTVRF-MNOVXSKESA-N 2 1 209.293 0.728 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000548113438 388513964 /nfs/dbraw/zinc/51/39/64/388513964.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000548113438 388513968 /nfs/dbraw/zinc/51/39/68/388513968.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000548113438 388513971 /nfs/dbraw/zinc/51/39/71/388513971.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000346853841 388520411 /nfs/dbraw/zinc/52/04/11/388520411.db2.gz BECLACMLCCJGMF-RYUDHWBXSA-N 2 1 237.351 0.598 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CC)CCOC1 ZINC000378853565 388521614 /nfs/dbraw/zinc/52/16/14/388521614.db2.gz WXTURGVIWPLNCJ-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CC)CCOC1 ZINC000378853565 388521616 /nfs/dbraw/zinc/52/16/16/388521616.db2.gz WXTURGVIWPLNCJ-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000516921740 388525172 /nfs/dbraw/zinc/52/51/72/388525172.db2.gz JHYYZMIYYARYPA-ZDUSSCGKSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598607 388532108 /nfs/dbraw/zinc/53/21/08/388532108.db2.gz WDTUJQVXJWJEJA-RYUDHWBXSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598607 388532112 /nfs/dbraw/zinc/53/21/12/388532112.db2.gz WDTUJQVXJWJEJA-RYUDHWBXSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598605 388533101 /nfs/dbraw/zinc/53/31/01/388533101.db2.gz WDTUJQVXJWJEJA-NEPJUHHUSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598605 388533104 /nfs/dbraw/zinc/53/31/04/388533104.db2.gz WDTUJQVXJWJEJA-NEPJUHHUSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C)C1CC1 ZINC000351598608 388533125 /nfs/dbraw/zinc/53/31/25/388533125.db2.gz WDTUJQVXJWJEJA-VXGBXAGGSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C)C1CC1 ZINC000351598608 388533127 /nfs/dbraw/zinc/53/31/27/388533127.db2.gz WDTUJQVXJWJEJA-VXGBXAGGSA-N 2 1 244.379 0.438 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245593538 388592650 /nfs/dbraw/zinc/59/26/50/388592650.db2.gz MEHACJLCGCGDMK-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245593535 388592970 /nfs/dbraw/zinc/59/29/70/388592970.db2.gz MEHACJLCGCGDMK-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCCCC1 ZINC000220580126 388605717 /nfs/dbraw/zinc/60/57/17/388605717.db2.gz XOTAYYKPPYXQTK-GFCCVEGCSA-N 2 1 211.353 0.812 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000517580722 388555014 /nfs/dbraw/zinc/55/50/14/388555014.db2.gz HPZXOAJXZDUXTG-HTQZYQBOSA-N 2 1 235.278 0.085 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368312485 388568397 /nfs/dbraw/zinc/56/83/97/388568397.db2.gz MXBJRGRSMFBBRP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368312485 388568399 /nfs/dbraw/zinc/56/83/99/388568399.db2.gz MXBJRGRSMFBBRP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368312485 388568403 /nfs/dbraw/zinc/56/84/03/388568403.db2.gz MXBJRGRSMFBBRP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576013 388569933 /nfs/dbraw/zinc/56/99/33/388569933.db2.gz PQZYHVPJENPPFM-WUHRBBMRSA-N 2 1 224.348 0.996 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576013 388569934 /nfs/dbraw/zinc/56/99/34/388569934.db2.gz PQZYHVPJENPPFM-WUHRBBMRSA-N 2 1 224.348 0.996 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810328 388573318 /nfs/dbraw/zinc/57/33/18/388573318.db2.gz MBDZZULCUKOODP-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298140 388576371 /nfs/dbraw/zinc/57/63/71/388576371.db2.gz UGVDIRVKIBUZCH-XEZLXBQYSA-N 2 1 249.358 0.052 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000252815599 388580386 /nfs/dbraw/zinc/58/03/86/388580386.db2.gz JVIYPXAKYUGWNS-VHSXEESVSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248485911 388682190 /nfs/dbraw/zinc/68/21/90/388682190.db2.gz KYOGTXDEKNMLLG-UWVGGRQHSA-N 2 1 215.341 0.426 20 0 BCADMP CCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192721047 388682952 /nfs/dbraw/zinc/68/29/52/388682952.db2.gz BCPUIJJSOUQZKE-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH2+]C1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000521624525 388620631 /nfs/dbraw/zinc/62/06/31/388620631.db2.gz KEPPYNAJEDKRPJ-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000521624525 388620633 /nfs/dbraw/zinc/62/06/33/388620633.db2.gz KEPPYNAJEDKRPJ-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530234488 388636916 /nfs/dbraw/zinc/63/69/16/388636916.db2.gz QSBCZUNGPKQKMV-SNVBAGLBSA-N 2 1 222.292 0.668 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530234488 388636918 /nfs/dbraw/zinc/63/69/18/388636918.db2.gz QSBCZUNGPKQKMV-SNVBAGLBSA-N 2 1 222.292 0.668 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240790 388638146 /nfs/dbraw/zinc/63/81/46/388638146.db2.gz NVNYPRPDQIVRCI-DGCLKSJQSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000530247403 388639546 /nfs/dbraw/zinc/63/95/46/388639546.db2.gz RTXFCRZYWAGGRK-WOPDTQHZSA-N 2 1 227.352 0.095 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000530247402 388639745 /nfs/dbraw/zinc/63/97/45/388639745.db2.gz RTXFCRZYWAGGRK-UTUOFQBUSA-N 2 1 227.352 0.095 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328394930 388642732 /nfs/dbraw/zinc/64/27/32/388642732.db2.gz PXNGMWPWRHCJOD-NXEZZACHSA-N 2 1 216.325 0.066 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522248418 388733997 /nfs/dbraw/zinc/73/39/97/388733997.db2.gz GIIPHDBRUGXHTN-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000522248418 388733998 /nfs/dbraw/zinc/73/39/98/388733998.db2.gz GIIPHDBRUGXHTN-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000522248418 388734002 /nfs/dbraw/zinc/73/40/02/388734002.db2.gz GIIPHDBRUGXHTN-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455414 388751097 /nfs/dbraw/zinc/75/10/97/388751097.db2.gz MHILTEGARHRASF-GUBZILKMSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000248865746 388696691 /nfs/dbraw/zinc/69/66/91/388696691.db2.gz AXHHHVPRXONZHJ-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000248865746 388696692 /nfs/dbraw/zinc/69/66/92/388696692.db2.gz AXHHHVPRXONZHJ-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000248865746 388696693 /nfs/dbraw/zinc/69/66/93/388696693.db2.gz AXHHHVPRXONZHJ-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CO)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000248865743 388696714 /nfs/dbraw/zinc/69/67/14/388696714.db2.gz AXHHHVPRXONZHJ-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000248865743 388696715 /nfs/dbraw/zinc/69/67/15/388696715.db2.gz AXHHHVPRXONZHJ-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000248865743 388696716 /nfs/dbraw/zinc/69/67/16/388696716.db2.gz AXHHHVPRXONZHJ-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC000522146141 388705648 /nfs/dbraw/zinc/70/56/48/388705648.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000522146141 388705652 /nfs/dbraw/zinc/70/56/52/388705652.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000522146141 388705654 /nfs/dbraw/zinc/70/56/54/388705654.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249084265 388707703 /nfs/dbraw/zinc/70/77/03/388707703.db2.gz BFEGUPIWRHQDDT-OUAUKWLOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249084265 388707706 /nfs/dbraw/zinc/70/77/06/388707706.db2.gz BFEGUPIWRHQDDT-OUAUKWLOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249084265 388707708 /nfs/dbraw/zinc/70/77/08/388707708.db2.gz BFEGUPIWRHQDDT-OUAUKWLOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249084265 388707710 /nfs/dbraw/zinc/70/77/10/388707710.db2.gz BFEGUPIWRHQDDT-OUAUKWLOSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249084270 388708799 /nfs/dbraw/zinc/70/87/99/388708799.db2.gz BFEGUPIWRHQDDT-VWYCJHECSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249084270 388708801 /nfs/dbraw/zinc/70/88/01/388708801.db2.gz BFEGUPIWRHQDDT-VWYCJHECSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249084270 388708803 /nfs/dbraw/zinc/70/88/03/388708803.db2.gz BFEGUPIWRHQDDT-VWYCJHECSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249084270 388708805 /nfs/dbraw/zinc/70/88/05/388708805.db2.gz BFEGUPIWRHQDDT-VWYCJHECSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000127852115 388732951 /nfs/dbraw/zinc/73/29/51/388732951.db2.gz PBJHKBRSPOEEHF-AAEUAGOBSA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000127851907 388733005 /nfs/dbraw/zinc/73/30/05/388733005.db2.gz PBJHKBRSPOEEHF-YPMHNXCESA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000540022471 388793104 /nfs/dbraw/zinc/79/31/04/388793104.db2.gz PJNRKYCVCVNKRH-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229601045 388796875 /nfs/dbraw/zinc/79/68/75/388796875.db2.gz NGZLZRVQBVTSHD-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713683 388774782 /nfs/dbraw/zinc/77/47/82/388774782.db2.gz PYCISRSOMRCECU-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000553794141 388789901 /nfs/dbraw/zinc/78/99/01/388789901.db2.gz FYNFAMBDNZTDSR-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000129372811 388835686 /nfs/dbraw/zinc/83/56/86/388835686.db2.gz OGAXMHBRBTWGMZ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@H]1O ZINC000554956857 388836854 /nfs/dbraw/zinc/83/68/54/388836854.db2.gz OXRCOVNJQMQWHT-JHJVBQTASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@H]1O ZINC000554956857 388836855 /nfs/dbraw/zinc/83/68/55/388836855.db2.gz OXRCOVNJQMQWHT-JHJVBQTASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CC1 ZINC000554956857 388836858 /nfs/dbraw/zinc/83/68/58/388836858.db2.gz OXRCOVNJQMQWHT-JHJVBQTASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CC1 ZINC000554956857 388836860 /nfs/dbraw/zinc/83/68/60/388836860.db2.gz OXRCOVNJQMQWHT-JHJVBQTASA-N 2 1 242.363 0.287 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564985212 388905474 /nfs/dbraw/zinc/90/54/74/388905474.db2.gz FVLFXZMYZWOPGT-GFCCVEGCSA-N 3 1 227.352 0.037 20 0 BCADMP [NH3+]CCOCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564985212 388905477 /nfs/dbraw/zinc/90/54/77/388905477.db2.gz FVLFXZMYZWOPGT-GFCCVEGCSA-N 2 1 227.352 0.037 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000564993762 388906448 /nfs/dbraw/zinc/90/64/48/388906448.db2.gz SGUXHJQZDZYXHJ-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000564993762 388906451 /nfs/dbraw/zinc/90/64/51/388906451.db2.gz SGUXHJQZDZYXHJ-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000564993761 388906484 /nfs/dbraw/zinc/90/64/84/388906484.db2.gz SGUXHJQZDZYXHJ-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000564993761 388906486 /nfs/dbraw/zinc/90/64/86/388906486.db2.gz SGUXHJQZDZYXHJ-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000565206362 388925542 /nfs/dbraw/zinc/92/55/42/388925542.db2.gz BPXSBYDRGJZNCK-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000565206362 388925538 /nfs/dbraw/zinc/92/55/38/388925538.db2.gz BPXSBYDRGJZNCK-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000262464840 388935433 /nfs/dbraw/zinc/93/54/33/388935433.db2.gz XRDMIBPVUHZWSH-GFCCVEGCSA-N 2 1 249.358 0.829 20 0 BCADMP C[NH2+][C@@H]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000564988103 388905351 /nfs/dbraw/zinc/90/53/51/388905351.db2.gz IAANUPWGRJYPJD-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+][C@@H]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000564988103 388905354 /nfs/dbraw/zinc/90/53/54/388905354.db2.gz IAANUPWGRJYPJD-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000565361119 388938916 /nfs/dbraw/zinc/93/89/16/388938916.db2.gz GRDFLUKDOXWYNL-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000565361117 388939537 /nfs/dbraw/zinc/93/95/37/388939537.db2.gz GRDFLUKDOXWYNL-QJPTWQEYSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416614 388943702 /nfs/dbraw/zinc/94/37/02/388943702.db2.gz FKLPHISZRFHDKZ-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCO[C@H](C)C1 ZINC000566069135 388985598 /nfs/dbraw/zinc/98/55/98/388985598.db2.gz WRIUHTPNRSHROP-XQQFMLRXSA-N 2 1 241.379 0.376 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000259245521 533362182 /nfs/dbraw/zinc/36/21/82/533362182.db2.gz LXOLXEONCZUKFL-ZDUSSCGKSA-N 2 1 239.363 0.004 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666493 533371064 /nfs/dbraw/zinc/37/10/64/533371064.db2.gz DGXLURJTCQBAGI-UPJWGTAASA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666493 533371070 /nfs/dbraw/zinc/37/10/70/533371070.db2.gz DGXLURJTCQBAGI-UPJWGTAASA-N 2 1 240.347 0.618 20 0 BCADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302041833 132260046 /nfs/dbraw/zinc/26/00/46/132260046.db2.gz RUGRTDDILHLYJY-JTQLQIEISA-N 2 1 248.330 0.711 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000375656527 132288621 /nfs/dbraw/zinc/28/86/21/132288621.db2.gz QYDXDOKVOBKVPJ-GFCCVEGCSA-N 2 1 233.315 0.911 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000375656527 132288623 /nfs/dbraw/zinc/28/86/23/132288623.db2.gz QYDXDOKVOBKVPJ-GFCCVEGCSA-N 2 1 233.315 0.911 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251834215 133647738 /nfs/dbraw/zinc/64/77/38/133647738.db2.gz NQBDEPUFWOLEAX-WOPDTQHZSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127629 134093358 /nfs/dbraw/zinc/09/33/58/134093358.db2.gz GAVWISNBIFVIQU-WCBMZHEXSA-N 2 1 225.336 0.323 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000336144989 134099989 /nfs/dbraw/zinc/09/99/89/134099989.db2.gz JPCLEDUGDMWJEH-DGCLKSJQSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336170600 134114856 /nfs/dbraw/zinc/11/48/56/134114856.db2.gz PGJSWCLANFUSSI-UWVGGRQHSA-N 2 1 208.309 0.936 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000168504881 134224836 /nfs/dbraw/zinc/22/48/36/134224836.db2.gz SEUGNCRJFHNAFQ-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000168504881 134224837 /nfs/dbraw/zinc/22/48/37/134224837.db2.gz SEUGNCRJFHNAFQ-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000168561462 134226675 /nfs/dbraw/zinc/22/66/75/134226675.db2.gz DVDOPQNUPWRGKE-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000168561462 134226676 /nfs/dbraw/zinc/22/66/76/134226676.db2.gz DVDOPQNUPWRGKE-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000169110987 134249450 /nfs/dbraw/zinc/24/94/50/134249450.db2.gz ZHTOUSYTAYNHJR-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP O=C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000218260340 134252733 /nfs/dbraw/zinc/25/27/33/134252733.db2.gz CABVEDSRXGRLAV-NWDGAFQWSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)C[NH3+])C1CC1 ZINC000218864275 134265384 /nfs/dbraw/zinc/26/53/84/134265384.db2.gz NPSFJTZLFIJDHK-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC)C1 ZINC000173889492 134278575 /nfs/dbraw/zinc/27/85/75/134278575.db2.gz MYISEVCPIWGVFE-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC)C1 ZINC000173889492 134278576 /nfs/dbraw/zinc/27/85/76/134278576.db2.gz MYISEVCPIWGVFE-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000173889492 134278577 /nfs/dbraw/zinc/27/85/77/134278577.db2.gz MYISEVCPIWGVFE-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000173889492 134278578 /nfs/dbraw/zinc/27/85/78/134278578.db2.gz MYISEVCPIWGVFE-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000178211132 134304974 /nfs/dbraw/zinc/30/49/74/134304974.db2.gz FHLGJVVRBLYTHD-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000178211132 134304975 /nfs/dbraw/zinc/30/49/75/134304975.db2.gz FHLGJVVRBLYTHD-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000178211132 134304976 /nfs/dbraw/zinc/30/49/76/134304976.db2.gz FHLGJVVRBLYTHD-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]21 ZINC000178211132 134304977 /nfs/dbraw/zinc/30/49/77/134304977.db2.gz FHLGJVVRBLYTHD-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000178702946 134313369 /nfs/dbraw/zinc/31/33/69/134313369.db2.gz JEJYQKWGDCXMCU-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178973217 134314139 /nfs/dbraw/zinc/31/41/39/134314139.db2.gz XHIICLBTXFYTQT-JTQLQIEISA-N 2 1 248.392 0.351 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178976307 134314187 /nfs/dbraw/zinc/31/41/87/134314187.db2.gz MNEWSRWRXIBRJO-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815853 134315860 /nfs/dbraw/zinc/31/58/60/134315860.db2.gz BUSXAUUSPSUJSC-GUBZILKMSA-N 2 1 213.325 0.275 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)O)[C@@H](C)C1 ZINC000221672912 134325735 /nfs/dbraw/zinc/32/57/35/134325735.db2.gz QCIBDOVOWLACPH-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223584732 134340704 /nfs/dbraw/zinc/34/07/04/134340704.db2.gz LIKSHQMZLVBYJP-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226868782 134370360 /nfs/dbraw/zinc/37/03/60/134370360.db2.gz VVILLYPXRWIEPG-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000227342777 134378163 /nfs/dbraw/zinc/37/81/63/134378163.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000227342777 134378164 /nfs/dbraw/zinc/37/81/64/134378164.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000227342777 134378165 /nfs/dbraw/zinc/37/81/65/134378165.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249898185 135047812 /nfs/dbraw/zinc/04/78/12/135047812.db2.gz VKZCUHBMWMURGH-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249898185 135047814 /nfs/dbraw/zinc/04/78/14/135047814.db2.gz VKZCUHBMWMURGH-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000250856856 135058139 /nfs/dbraw/zinc/05/81/39/135058139.db2.gz PNLCOULRTAXYEV-GRYCIOLGSA-N 2 1 210.321 0.992 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000250856856 135058141 /nfs/dbraw/zinc/05/81/41/135058141.db2.gz PNLCOULRTAXYEV-GRYCIOLGSA-N 2 1 210.321 0.992 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251071576 135062255 /nfs/dbraw/zinc/06/22/55/135062255.db2.gz YQSFJRPGJDSKRB-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251071576 135062257 /nfs/dbraw/zinc/06/22/57/135062257.db2.gz YQSFJRPGJDSKRB-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC3)CC[N@H+]2C1 ZINC000251099792 135064399 /nfs/dbraw/zinc/06/43/99/135064399.db2.gz JSZXLGPKWCXSBP-GRYCIOLGSA-N 2 1 210.321 0.992 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251088132 135064502 /nfs/dbraw/zinc/06/45/02/135064502.db2.gz NTRFOANFQOITMM-WOPDTQHZSA-N 2 1 212.337 0.974 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000236854967 135067405 /nfs/dbraw/zinc/06/74/05/135067405.db2.gz GRINEVBNOZFNKF-NSHDSACASA-N 2 1 229.368 0.960 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333856 135068693 /nfs/dbraw/zinc/06/86/93/135068693.db2.gz PJQSMFZWGLWATL-RWMBFGLXSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251611044 135072100 /nfs/dbraw/zinc/07/21/00/135072100.db2.gz DMIXMQCSUZVZQA-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251611044 135072102 /nfs/dbraw/zinc/07/21/02/135072102.db2.gz DMIXMQCSUZVZQA-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000251931288 135081055 /nfs/dbraw/zinc/08/10/55/135081055.db2.gz YSZPSDPUPQQCQH-GXFFZTMASA-N 2 1 247.342 0.955 20 0 BCADMP Cc1ncsc1C[N@@H+](C)CCOCC[NH3+] ZINC000086435798 135084245 /nfs/dbraw/zinc/08/42/45/135084245.db2.gz JPSZBBDNERPAFW-UHFFFAOYSA-N 2 1 229.349 0.859 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252456259 135089919 /nfs/dbraw/zinc/08/99/19/135089919.db2.gz JHAMDVCITGAUHW-XWLWVQCSSA-N 2 1 227.352 0.439 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252456259 135089920 /nfs/dbraw/zinc/08/99/20/135089920.db2.gz JHAMDVCITGAUHW-XWLWVQCSSA-N 2 1 227.352 0.439 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252464842 135091043 /nfs/dbraw/zinc/09/10/43/135091043.db2.gz MWDXAOQTVWLLLE-WRWGMCAJSA-N 2 1 230.352 0.312 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701723 135095436 /nfs/dbraw/zinc/09/54/36/135095436.db2.gz JBJCQHSREXXTSE-GFCCVEGCSA-N 2 1 212.337 0.954 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252713998 135100444 /nfs/dbraw/zinc/10/04/44/135100444.db2.gz QTUFZHMCGZZYGY-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252713998 135100446 /nfs/dbraw/zinc/10/04/46/135100446.db2.gz QTUFZHMCGZZYGY-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712982 135100577 /nfs/dbraw/zinc/10/05/77/135100577.db2.gz NXTQIZIAUYVSGG-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712982 135100578 /nfs/dbraw/zinc/10/05/78/135100578.db2.gz NXTQIZIAUYVSGG-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715720 135101578 /nfs/dbraw/zinc/10/15/78/135101578.db2.gz WMZDSUPPKAJHAR-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252728278 135102820 /nfs/dbraw/zinc/10/28/20/135102820.db2.gz ARVFXOWXPPKYIX-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086930507 135102885 /nfs/dbraw/zinc/10/28/85/135102885.db2.gz OWWCSQBRLBTKBL-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000087121895 135107525 /nfs/dbraw/zinc/10/75/25/135107525.db2.gz WQPIEEQABCCKOB-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770188 135108599 /nfs/dbraw/zinc/10/85/99/135108599.db2.gz KVRWUUYWGBJKSZ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770188 135108600 /nfs/dbraw/zinc/10/86/00/135108600.db2.gz KVRWUUYWGBJKSZ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533449 135109198 /nfs/dbraw/zinc/10/91/98/135109198.db2.gz BAGOVGAEKNFATB-GRYCIOLGSA-N 2 1 212.337 0.689 20 0 BCADMP Cc1[nH+]ccn1CCNC1=[NH+]CCCN1 ZINC000261778802 135111561 /nfs/dbraw/zinc/11/15/61/135111561.db2.gz NTELHHFLCOBNCJ-UHFFFAOYSA-N 2 1 207.281 0.130 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]CC1(C)COC1 ZINC000087197574 135112544 /nfs/dbraw/zinc/11/25/44/135112544.db2.gz VBAJCTITFDHCRX-UHFFFAOYSA-N 2 1 209.293 0.818 20 0 BCADMP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOC1 ZINC000252860072 135113632 /nfs/dbraw/zinc/11/36/32/135113632.db2.gz NQTRJQNIMDKNRJ-AGIUHOORSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@H](CCCO)[NH2+]C1CC[NH+](C)CC1 ZINC000087358337 135124272 /nfs/dbraw/zinc/12/42/72/135124272.db2.gz WSSMBZVKVFROQH-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCO ZINC000253283538 135126131 /nfs/dbraw/zinc/12/61/31/135126131.db2.gz MCSXLZAGVWFVQI-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137319 /nfs/dbraw/zinc/13/73/19/135137319.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 1 220.320 0.904 20 0 BCADMP COc1ccc(CC[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000259170820 135137531 /nfs/dbraw/zinc/13/75/31/135137531.db2.gz VUJRGIAWKFUUJK-GFCCVEGCSA-N 2 1 238.331 0.489 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669138 135138166 /nfs/dbraw/zinc/13/81/66/135138166.db2.gz HZNBWYBUTHUGRT-NWDGAFQWSA-N 2 1 210.321 0.708 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000257738596 135141023 /nfs/dbraw/zinc/14/10/23/135141023.db2.gz XPLSVKOSNPDVSM-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCOC1 ZINC000261527787 135152748 /nfs/dbraw/zinc/15/27/48/135152748.db2.gz HCZKLWDXWFSTNV-MNOVXSKESA-N 2 1 200.326 0.986 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000261529317 135155913 /nfs/dbraw/zinc/15/59/13/135155913.db2.gz AOEJIMFSALFFOE-NXEZZACHSA-N 2 1 215.341 0.428 20 0 BCADMP Cn1cncc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261531450 135159967 /nfs/dbraw/zinc/15/99/67/135159967.db2.gz GOKILAPJNYWHDB-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cncc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261531450 135159968 /nfs/dbraw/zinc/15/99/68/135159968.db2.gz GOKILAPJNYWHDB-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP C[N@@H+](CC1(CO)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261532521 135163546 /nfs/dbraw/zinc/16/35/46/135163546.db2.gz ALKJYJJZNKZZRM-NSHDSACASA-N 2 1 212.337 0.690 20 0 BCADMP C[N@H+](CCC(N)=O)CC[C@H]1CCC[NH+]1C ZINC000353169366 135166943 /nfs/dbraw/zinc/16/69/43/135166943.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@H]1CCC[N@@H+]1C ZINC000353169366 135166944 /nfs/dbraw/zinc/16/69/44/135166944.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@H]1CCC[N@H+]1C ZINC000353169366 135166946 /nfs/dbraw/zinc/16/69/46/135166946.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537700 135174306 /nfs/dbraw/zinc/17/43/06/135174306.db2.gz WENUDZNARJNPJO-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261538976 135177342 /nfs/dbraw/zinc/17/73/42/135177342.db2.gz BGLMUBLQHABMDG-QMMMGPOBSA-N 2 1 223.267 0.214 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539692 135178470 /nfs/dbraw/zinc/17/84/70/135178470.db2.gz BBAWGDPLNDEZJP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539692 135178472 /nfs/dbraw/zinc/17/84/72/135178472.db2.gz BBAWGDPLNDEZJP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000261539947 135178715 /nfs/dbraw/zinc/17/87/15/135178715.db2.gz CQXZNPXFPSSVGA-WDEREUQCSA-N 2 1 245.367 0.197 20 0 BCADMP CCOC[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000261540028 135178987 /nfs/dbraw/zinc/17/89/87/135178987.db2.gz DOXOXQHWPVTPMW-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000261540635 135179780 /nfs/dbraw/zinc/17/97/80/135179780.db2.gz AICVTVGBWAFKIU-CYBMUJFWSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000261540635 135179781 /nfs/dbraw/zinc/17/97/81/135179781.db2.gz AICVTVGBWAFKIU-CYBMUJFWSA-N 2 1 239.363 0.670 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000261542604 135183143 /nfs/dbraw/zinc/18/31/43/135183143.db2.gz PVXFZGHFFQRGIC-JBLDHEPKSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000261544156 135185640 /nfs/dbraw/zinc/18/56/40/135185640.db2.gz XHCJYEMXDPKYJV-GHMZBOCLSA-N 2 1 241.379 0.688 20 0 BCADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261549409 135188536 /nfs/dbraw/zinc/18/85/36/135188536.db2.gz OMGVLJHGXJERHT-LLVKDONJSA-N 2 1 212.337 0.689 20 0 BCADMP CC1(C)C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551150 135190427 /nfs/dbraw/zinc/19/04/27/135190427.db2.gz QFIANAOPNFPWSO-JQWIXIFHSA-N 2 1 212.337 0.689 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000261553445 135193239 /nfs/dbraw/zinc/19/32/39/135193239.db2.gz SMCJCHAUACDHFA-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261560611 135201082 /nfs/dbraw/zinc/20/10/82/135201082.db2.gz ADDXZNDOCLHJBG-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261560611 135201084 /nfs/dbraw/zinc/20/10/84/135201084.db2.gz ADDXZNDOCLHJBG-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOc1ccccc1 ZINC000261562247 135203934 /nfs/dbraw/zinc/20/39/34/135203934.db2.gz WDVYTMYKPKMIGP-UHFFFAOYSA-N 2 1 238.331 0.973 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562722 135204415 /nfs/dbraw/zinc/20/44/15/135204415.db2.gz WNNXSXAFLIEROM-AAEUAGOBSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562722 135204417 /nfs/dbraw/zinc/20/44/17/135204417.db2.gz WNNXSXAFLIEROM-AAEUAGOBSA-N 2 1 241.379 0.914 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC000261562883 135204822 /nfs/dbraw/zinc/20/48/22/135204822.db2.gz WQPNTQAQJBQSGB-GRYCIOLGSA-N 2 1 235.335 0.337 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564473 135206016 /nfs/dbraw/zinc/20/60/16/135206016.db2.gz CPMCWOGMLSLTQZ-VXGBXAGGSA-N 2 1 220.320 0.567 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564473 135206018 /nfs/dbraw/zinc/20/60/18/135206018.db2.gz CPMCWOGMLSLTQZ-VXGBXAGGSA-N 2 1 220.320 0.567 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000164123392 135213242 /nfs/dbraw/zinc/21/32/42/135213242.db2.gz RRKHONOHMNEOPY-TUAOUCFPSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164123392 135213244 /nfs/dbraw/zinc/21/32/44/135213244.db2.gz RRKHONOHMNEOPY-TUAOUCFPSA-N 2 1 237.351 0.739 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261571998 135213600 /nfs/dbraw/zinc/21/36/00/135213600.db2.gz HYIQAPIZJDBAPC-PWSUYJOCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261571998 135213601 /nfs/dbraw/zinc/21/36/01/135213601.db2.gz HYIQAPIZJDBAPC-PWSUYJOCSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261572003 135214362 /nfs/dbraw/zinc/21/43/62/135214362.db2.gz HYJUGLMDBHIESU-SCZZXKLOSA-N 2 1 208.309 0.887 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261573423 135215678 /nfs/dbraw/zinc/21/56/78/135215678.db2.gz IUPNSEAZBJMACK-LLVKDONJSA-N 2 1 213.325 0.182 20 0 BCADMP [NH3+]CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000261575490 135216477 /nfs/dbraw/zinc/21/64/77/135216477.db2.gz JUQDZWCOIIMLGX-YPMHNXCESA-N 2 1 223.364 0.894 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084383165 135216518 /nfs/dbraw/zinc/21/65/18/135216518.db2.gz XAMNHHXINAZCFZ-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CCSCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261587274 135228783 /nfs/dbraw/zinc/22/87/83/135228783.db2.gz RQEVEGICVQJZEX-GFCCVEGCSA-N 2 1 243.420 0.719 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000261588255 135229591 /nfs/dbraw/zinc/22/95/91/135229591.db2.gz SHHHJJUUVZIRLW-LLVKDONJSA-N 2 1 214.309 0.074 20 0 BCADMP Cn1cnnc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261588547 135229351 /nfs/dbraw/zinc/22/93/51/135229351.db2.gz VTRORBYHLMAIJX-GFCCVEGCSA-N 2 1 249.362 0.952 20 0 BCADMP C[C@@H](CNC(=O)CC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000261594000 135234454 /nfs/dbraw/zinc/23/44/54/135234454.db2.gz XGTARNGSBHWAEV-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP NC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261595263 135235396 /nfs/dbraw/zinc/23/53/96/135235396.db2.gz YACOUELMHGNWLQ-LBPRGKRZSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000261595263 135235398 /nfs/dbraw/zinc/23/53/98/135235398.db2.gz YACOUELMHGNWLQ-LBPRGKRZSA-N 2 1 211.353 0.799 20 0 BCADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC1CC[NH2+]CC1 ZINC000261546532 135238829 /nfs/dbraw/zinc/23/88/29/135238829.db2.gz GWWQHPMUAFAXEY-QSLWVIQJSA-N 2 1 236.359 0.687 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000261548119 135241769 /nfs/dbraw/zinc/24/17/69/135241769.db2.gz NAPVAEVZFDOJML-MRVPVSSYSA-N 2 1 231.365 0.092 20 0 BCADMP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261636614 135241938 /nfs/dbraw/zinc/24/19/38/135241938.db2.gz CZIJPQKMXOHNMH-QJPTWQEYSA-N 2 1 237.347 0.196 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261649992 135242489 /nfs/dbraw/zinc/24/24/89/135242489.db2.gz FJROVMJVEZYKEZ-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP OCCO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261640585 135242965 /nfs/dbraw/zinc/24/29/65/135242965.db2.gz FPOSRJHUAYGASK-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689487 135245939 /nfs/dbraw/zinc/24/59/39/135245939.db2.gz AZRYIHQVPLUKSE-DMDPSCGWSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@]1(C[N@@H+]2CCCN(C(N)=O)CC2)CC[NH2+]C1 ZINC000261705565 135246441 /nfs/dbraw/zinc/24/64/41/135246441.db2.gz CZEGYBJQBFGIIL-GFCCVEGCSA-N 2 1 240.351 0.072 20 0 BCADMP C[C@@]1(C[N@H+]2CCCN(C(N)=O)CC2)CC[NH2+]C1 ZINC000261705565 135246442 /nfs/dbraw/zinc/24/64/42/135246442.db2.gz CZEGYBJQBFGIIL-GFCCVEGCSA-N 2 1 240.351 0.072 20 0 BCADMP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261700430 135247048 /nfs/dbraw/zinc/24/70/48/135247048.db2.gz LLGQFHPWPWMOGV-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261719121 135247282 /nfs/dbraw/zinc/24/72/82/135247282.db2.gz CIBLXLXPHZSXKL-LBPRGKRZSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]CCCN2)C1 ZINC000261749532 135249650 /nfs/dbraw/zinc/24/96/50/135249650.db2.gz JPZAGQUANARWFH-LLVKDONJSA-N 2 1 224.352 0.657 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000261774733 135251566 /nfs/dbraw/zinc/25/15/66/135251566.db2.gz JBNYFUXCLHTDOX-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261795930 135253654 /nfs/dbraw/zinc/25/36/54/135253654.db2.gz GNLNIEKAMCGMRN-SNVBAGLBSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000261822443 135255688 /nfs/dbraw/zinc/25/56/88/135255688.db2.gz MPHLRUYFWIARJI-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000261833725 135256340 /nfs/dbraw/zinc/25/63/40/135256340.db2.gz JHDKWKGSUYWVKC-ZDUSSCGKSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000261852161 135257235 /nfs/dbraw/zinc/25/72/35/135257235.db2.gz OVLWCLIQVQONAC-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCOCCOCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261878429 135259176 /nfs/dbraw/zinc/25/91/76/135259176.db2.gz QKAKMQAMKNEUEP-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP C[N@H+](CCN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261881891 135260157 /nfs/dbraw/zinc/26/01/57/135260157.db2.gz RDRWVIIASNFHJD-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261881891 135260159 /nfs/dbraw/zinc/26/01/59/135260159.db2.gz RDRWVIIASNFHJD-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP OCCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261922934 135263442 /nfs/dbraw/zinc/26/34/42/135263442.db2.gz KRTKKEMFYUMHQX-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000261931793 135264692 /nfs/dbraw/zinc/26/46/92/135264692.db2.gz YYWOWFMCYVZENB-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP COC(=O)[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000261982385 135268916 /nfs/dbraw/zinc/26/89/16/135268916.db2.gz RNDIDAAIFXENCP-LLVKDONJSA-N 2 1 226.320 0.527 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005276 135271658 /nfs/dbraw/zinc/27/16/58/135271658.db2.gz LSEWAZVWZQDMLY-PWSUYJOCSA-N 2 1 226.320 0.481 20 0 BCADMP COCCO[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262012415 135272066 /nfs/dbraw/zinc/27/20/66/135272066.db2.gz MKDDZVKMQSRBKB-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000262023491 135274109 /nfs/dbraw/zinc/27/41/09/135274109.db2.gz WLDINCRQABYLJK-GFCCVEGCSA-N 2 1 234.347 0.951 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000262023491 135274110 /nfs/dbraw/zinc/27/41/10/135274110.db2.gz WLDINCRQABYLJK-GFCCVEGCSA-N 2 1 234.347 0.951 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033503 135275220 /nfs/dbraw/zinc/27/52/20/135275220.db2.gz OHVKHFMMAPPJKV-CHWSQXEVSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262049243 135276273 /nfs/dbraw/zinc/27/62/73/135276273.db2.gz UVRWCPIYCBODNB-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@]1(C[N@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064596 135276604 /nfs/dbraw/zinc/27/66/04/135276604.db2.gz RMLDTVJZYZRGLP-YPMHNXCESA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000262137858 135281436 /nfs/dbraw/zinc/28/14/36/135281436.db2.gz YWDBDZUJPNNPHT-MDZLAQPJSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000262137858 135281437 /nfs/dbraw/zinc/28/14/37/135281437.db2.gz YWDBDZUJPNNPHT-MDZLAQPJSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H](CNC(=O)CCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262147564 135282181 /nfs/dbraw/zinc/28/21/81/135282181.db2.gz NBMFEWJSHFTDPK-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000262272616 135288945 /nfs/dbraw/zinc/28/89/45/135288945.db2.gz UEQZXLIQZYBLAE-GFCCVEGCSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262280646 135289731 /nfs/dbraw/zinc/28/97/31/135289731.db2.gz ZGGZRZRPJXAACS-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262310249 135292180 /nfs/dbraw/zinc/29/21/80/135292180.db2.gz CUUIPRXGVNIRAA-WDEREUQCSA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262338319 135293645 /nfs/dbraw/zinc/29/36/45/135293645.db2.gz HOMLMPPIGYMTLL-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000262376986 135297715 /nfs/dbraw/zinc/29/77/15/135297715.db2.gz MJZNWXLNCLXNCV-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000262451680 135300685 /nfs/dbraw/zinc/30/06/85/135300685.db2.gz WAGGJXMEOHBUOW-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544794 135305466 /nfs/dbraw/zinc/30/54/66/135305466.db2.gz ZOCDQILURJUOOU-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342695922 135306292 /nfs/dbraw/zinc/30/62/92/135306292.db2.gz GXACLJPQRVWHKK-VIFPVBQESA-N 2 1 249.305 0.299 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342695922 135306294 /nfs/dbraw/zinc/30/62/94/135306294.db2.gz GXACLJPQRVWHKK-VIFPVBQESA-N 2 1 249.305 0.299 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582700 135306829 /nfs/dbraw/zinc/30/68/29/135306829.db2.gz QMJSPNDDDIDYFR-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262689175 135313580 /nfs/dbraw/zinc/31/35/80/135313580.db2.gz FLOOSYBCKKYXHG-HTQZYQBOSA-N 2 1 235.278 0.214 20 0 BCADMP C[NH2+]CCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932190 135499766 /nfs/dbraw/zinc/49/97/66/135499766.db2.gz QDCJJUHYKONMBA-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341985 135612086 /nfs/dbraw/zinc/61/20/86/135612086.db2.gz NEOKZEFTKGMEJL-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341985 135612087 /nfs/dbraw/zinc/61/20/87/135612087.db2.gz NEOKZEFTKGMEJL-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)(O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995007 135861146 /nfs/dbraw/zinc/86/11/46/135861146.db2.gz XSQBWYBNBQEVLO-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000335183344 135965588 /nfs/dbraw/zinc/96/55/88/135965588.db2.gz BKVSOVRJCGCDDH-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000335307270 136027539 /nfs/dbraw/zinc/02/75/39/136027539.db2.gz WHOWBGBRJVIOBG-NXEZZACHSA-N 2 1 240.351 0.212 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000348127396 136033018 /nfs/dbraw/zinc/03/30/18/136033018.db2.gz ROTITAOWESLKEQ-ZDUSSCGKSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000348344395 136071734 /nfs/dbraw/zinc/07/17/34/136071734.db2.gz WKRUTQGCZVYABF-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335375218 136085721 /nfs/dbraw/zinc/08/57/21/136085721.db2.gz MMCYFLBMAGOKIO-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397744 136092921 /nfs/dbraw/zinc/09/29/21/136092921.db2.gz WURHIUAZDDAFPG-MNOVXSKESA-N 2 1 225.336 0.054 20 0 BCADMP [NH3+]CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000335562261 136106517 /nfs/dbraw/zinc/10/65/17/136106517.db2.gz AWAPJUNIHIBDDC-NSHDSACASA-N 2 1 206.289 0.929 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570979 136109262 /nfs/dbraw/zinc/10/92/62/136109262.db2.gz WURPFRCLPMHICP-NEPJUHHUSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570982 136109609 /nfs/dbraw/zinc/10/96/09/136109609.db2.gz WURPFRCLPMHICP-VXGBXAGGSA-N 3 1 225.380 0.964 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257725144 397828539 /nfs/dbraw/zinc/82/85/39/397828539.db2.gz UFRIXOUISSHKGJ-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000309556261 397862578 /nfs/dbraw/zinc/86/25/78/397862578.db2.gz JUAMCINGRGSIJL-TUAOUCFPSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000309556261 397862583 /nfs/dbraw/zinc/86/25/83/397862583.db2.gz JUAMCINGRGSIJL-TUAOUCFPSA-N 2 1 228.336 0.068 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000054133489 397903317 /nfs/dbraw/zinc/90/33/17/397903317.db2.gz SKLMXTRKCWGMFF-VIFPVBQESA-N 2 1 231.365 0.105 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000054133489 397903319 /nfs/dbraw/zinc/90/33/19/397903319.db2.gz SKLMXTRKCWGMFF-VIFPVBQESA-N 2 1 231.365 0.105 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649530911 397922343 /nfs/dbraw/zinc/92/23/43/397922343.db2.gz PCXGNKILIFFLMH-QWHCGFSZSA-N 2 1 225.380 0.964 20 0 BCADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCO)C1 ZINC000373116031 398013824 /nfs/dbraw/zinc/01/38/24/398013824.db2.gz RBPNFVUTGHEIPO-JTQLQIEISA-N 2 1 209.293 0.592 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000648122446 398016881 /nfs/dbraw/zinc/01/68/81/398016881.db2.gz YBTXVGVQLGGXRF-WRWGMCAJSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000336730335 398018846 /nfs/dbraw/zinc/01/88/46/398018846.db2.gz XXMHMURLQNJCIJ-GVXVVHGQSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000336730335 398018848 /nfs/dbraw/zinc/01/88/48/398018848.db2.gz XXMHMURLQNJCIJ-GVXVVHGQSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000383585833 398030164 /nfs/dbraw/zinc/03/01/64/398030164.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000383585833 398030166 /nfs/dbraw/zinc/03/01/66/398030166.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000383585833 398030167 /nfs/dbraw/zinc/03/01/67/398030167.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000383585833 398030169 /nfs/dbraw/zinc/03/01/69/398030169.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccn(C)c(=O)c1 ZINC000383753037 398036617 /nfs/dbraw/zinc/03/66/17/398036617.db2.gz ZYDFZWQDLBBZPY-ZDUSSCGKSA-N 2 1 237.347 0.848 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148928 398038104 /nfs/dbraw/zinc/03/81/04/398038104.db2.gz IXNFCBDTORKHLA-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP Cn1ccnc1CNCC1=CC[N@@H+](C)CC1 ZINC000271783541 397974700 /nfs/dbraw/zinc/97/47/00/397974700.db2.gz FASRTTSZPUOEAK-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP Cn1ccnc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271783541 397974706 /nfs/dbraw/zinc/97/47/06/397974706.db2.gz FASRTTSZPUOEAK-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP Cn1nccc1CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344711 398043356 /nfs/dbraw/zinc/04/33/56/398043356.db2.gz QCFIUSDOIXPBPM-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1nccc1CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344711 398043360 /nfs/dbraw/zinc/04/33/60/398043360.db2.gz QCFIUSDOIXPBPM-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP COC[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341740 398043834 /nfs/dbraw/zinc/04/38/34/398043834.db2.gz FXPPIFGYPVPKKG-UWVGGRQHSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000491853794 398075247 /nfs/dbraw/zinc/07/52/47/398075247.db2.gz WFCOYQRRELYSLP-GZTOBOFZSA-N 2 1 239.363 0.703 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCCn1ccnc1 ZINC000649763823 398091303 /nfs/dbraw/zinc/09/13/03/398091303.db2.gz FVWBCCGKFRQVJJ-VXGBXAGGSA-N 2 1 239.319 0.355 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224886489 171243845 /nfs/dbraw/zinc/24/38/45/171243845.db2.gz VMHLYPMSNLJYHU-OPRDCNLKSA-N 2 1 213.325 0.310 20 0 BCADMP CC[N@@H+](CCn1ccnc1C)[C@H](C)CO ZINC000292152887 398101932 /nfs/dbraw/zinc/10/19/32/398101932.db2.gz KIZTWTKTWDDMLQ-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)CO ZINC000292152887 398101938 /nfs/dbraw/zinc/10/19/38/398101938.db2.gz KIZTWTKTWDDMLQ-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)CO ZINC000292152887 398101942 /nfs/dbraw/zinc/10/19/42/398101942.db2.gz KIZTWTKTWDDMLQ-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000566120070 398096689 /nfs/dbraw/zinc/09/66/89/398096689.db2.gz GBURKBASCGYWBD-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[N@@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000336691311 398133111 /nfs/dbraw/zinc/13/31/11/398133111.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336691311 398133114 /nfs/dbraw/zinc/13/31/14/398133114.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCCO)CC[C@@H]1CCC[N@H+]1C ZINC000336691311 398133115 /nfs/dbraw/zinc/13/31/15/398133115.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC000662275921 487529384 /nfs/dbraw/zinc/52/93/84/487529384.db2.gz FPBUJNBHJOQGSR-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000227833451 487560638 /nfs/dbraw/zinc/56/06/38/487560638.db2.gz WQMFIXHILASDML-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853420 487566267 /nfs/dbraw/zinc/56/62/67/487566267.db2.gz PREPKLZGVZUNMT-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[C@@H]([NH2+]CCCc1ncn(C)n1)[C@H]1CCC[NH2+]1 ZINC000647800485 487567090 /nfs/dbraw/zinc/56/70/90/487567090.db2.gz CAWQXHBZCPGRSZ-GHMZBOCLSA-N 2 1 237.351 0.478 20 0 BCADMP C[C@H]([NH2+]CCCc1ncn(C)n1)[C@H]1CCC[NH2+]1 ZINC000647800488 487567198 /nfs/dbraw/zinc/56/71/98/487567198.db2.gz CAWQXHBZCPGRSZ-WDEREUQCSA-N 2 1 237.351 0.478 20 0 BCADMP CCOCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000238271152 487572146 /nfs/dbraw/zinc/57/21/46/487572146.db2.gz VRWUZJDBMMOHHP-UHFFFAOYSA-N 2 1 216.325 0.069 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020419996 487574699 /nfs/dbraw/zinc/57/46/99/487574699.db2.gz ULZXPQFIRFXUAR-SNVBAGLBSA-N 2 1 215.341 0.524 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020419996 487574702 /nfs/dbraw/zinc/57/47/02/487574702.db2.gz ULZXPQFIRFXUAR-SNVBAGLBSA-N 2 1 215.341 0.524 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082241602 487580326 /nfs/dbraw/zinc/58/03/26/487580326.db2.gz MHOIBQXMLYTPRU-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC(C)(C)C[NH3+])C1 ZINC000082244832 487582093 /nfs/dbraw/zinc/58/20/93/487582093.db2.gz HCNBXPJIMPOUOB-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393838274 487587184 /nfs/dbraw/zinc/58/71/84/487587184.db2.gz DWIJCACWXPPBEM-AAEUAGOBSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393838274 487587190 /nfs/dbraw/zinc/58/71/90/487587190.db2.gz DWIJCACWXPPBEM-AAEUAGOBSA-N 2 1 239.363 0.572 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000082304302 487590578 /nfs/dbraw/zinc/59/05/78/487590578.db2.gz ABEJPTGETCJERL-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000082304302 487590579 /nfs/dbraw/zinc/59/05/79/487590579.db2.gz ABEJPTGETCJERL-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000669391379 487596596 /nfs/dbraw/zinc/59/65/96/487596596.db2.gz WAFGWGLJHZSWLW-AXFHLTTASA-N 2 1 240.351 0.260 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000228271784 487603165 /nfs/dbraw/zinc/60/31/65/487603165.db2.gz HREWKGKPORBDKE-CYBMUJFWSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000309000759 487605508 /nfs/dbraw/zinc/60/55/08/487605508.db2.gz LKIDAFNCZGROJT-QWRGUYRKSA-N 2 1 218.341 0.000 20 0 BCADMP C[N@@H+](Cc1cnccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261473 409556093 /nfs/dbraw/zinc/55/60/93/409556093.db2.gz ZJRYNALDNSUMIL-LBPRGKRZSA-N 2 1 248.330 0.429 20 0 BCADMP C[N@H+](Cc1cnccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261473 409556108 /nfs/dbraw/zinc/55/61/08/409556108.db2.gz ZJRYNALDNSUMIL-LBPRGKRZSA-N 2 1 248.330 0.429 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263397 409557805 /nfs/dbraw/zinc/55/78/05/409557805.db2.gz ARNAOUXCCJMYKQ-GRYCIOLGSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266322 409563728 /nfs/dbraw/zinc/56/37/28/409563728.db2.gz LZKVBSZIELGXRV-SDDRHHMPSA-N 3 1 239.363 0.177 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)OC ZINC000662266264 409565510 /nfs/dbraw/zinc/56/55/10/409565510.db2.gz LAFZUYMLVBAFOA-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254124 409553222 /nfs/dbraw/zinc/55/32/22/409553222.db2.gz FZUYUTFCOWSUFW-MNOVXSKESA-N 2 1 242.388 0.945 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662317406 409636844 /nfs/dbraw/zinc/63/68/44/409636844.db2.gz ONEJLOGUTWSGBE-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662317408 409637313 /nfs/dbraw/zinc/63/73/13/409637313.db2.gz ONEJLOGUTWSGBE-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CO[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280697 409600037 /nfs/dbraw/zinc/60/00/37/409600037.db2.gz GYZWQTCKIMLPQY-STQMWFEESA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662409064 409700809 /nfs/dbraw/zinc/70/08/09/409700809.db2.gz FWAJCEFZEISZJE-JTQLQIEISA-N 2 1 243.257 0.300 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000655246938 409717531 /nfs/dbraw/zinc/71/75/31/409717531.db2.gz QAEZPKQOSHWGSC-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653115775 409829748 /nfs/dbraw/zinc/82/97/48/409829748.db2.gz ZNEOFFGQVPGGOX-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110457 409813844 /nfs/dbraw/zinc/81/38/44/409813844.db2.gz JCXDKWQAFURGDC-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000660833131 409814728 /nfs/dbraw/zinc/81/47/28/409814728.db2.gz KXGZPILUFFSARV-LBPRGKRZSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])C[C@@H]1CCOC1 ZINC000308805247 409906021 /nfs/dbraw/zinc/90/60/21/409906021.db2.gz OIRONVBRAKKSRK-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662910592 409977288 /nfs/dbraw/zinc/97/72/88/409977288.db2.gz PTAQWAAYDFIJQL-WYUUTHIRSA-N 2 1 237.347 0.052 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834314 409943433 /nfs/dbraw/zinc/94/34/33/409943433.db2.gz FOBMYXJRFKQLLM-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834316 409943475 /nfs/dbraw/zinc/94/34/75/409943475.db2.gz FOBMYXJRFKQLLM-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839450 409948437 /nfs/dbraw/zinc/94/84/37/409948437.db2.gz QPRWLDURWSQYMO-UTUOFQBUSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309013592 487612958 /nfs/dbraw/zinc/61/29/58/487612958.db2.gz QBTHYYJPHZBXBS-UTLUCORTSA-N 2 1 213.325 0.193 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176501 410151655 /nfs/dbraw/zinc/15/16/55/410151655.db2.gz WSEXVHMPEMNKFX-UHFFFAOYSA-N 2 1 215.341 0.300 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221134 410170021 /nfs/dbraw/zinc/17/00/21/410170021.db2.gz JTYXGMOVTKSYNL-UHFFFAOYSA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714246 410346976 /nfs/dbraw/zinc/34/69/76/410346976.db2.gz WZCIIPOMJCKCDX-QWRGUYRKSA-N 3 1 211.353 0.703 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000650743659 410376721 /nfs/dbraw/zinc/37/67/21/410376721.db2.gz YLSQZOOGABVXDW-MMWGEVLESA-N 2 1 225.336 0.371 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC(=O)N2)CC1 ZINC000335597415 410451064 /nfs/dbraw/zinc/45/10/64/410451064.db2.gz VJJIHUJUYKASQR-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000309222513 410459567 /nfs/dbraw/zinc/45/95/67/410459567.db2.gz YOVULUROVXCTKM-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@@]1(C)C[NH3+] ZINC000647547912 410640675 /nfs/dbraw/zinc/64/06/75/410640675.db2.gz LDZHULGINSFWNB-ZWNOBZJWSA-N 2 1 234.347 1.081 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000665273898 410742838 /nfs/dbraw/zinc/74/28/38/410742838.db2.gz GKBULXNFVUWTKJ-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000665280679 410754598 /nfs/dbraw/zinc/75/45/98/410754598.db2.gz IZNGVUVYHKCFID-IJLUTSLNSA-N 2 1 213.369 0.900 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000665280679 410754605 /nfs/dbraw/zinc/75/46/05/410754605.db2.gz IZNGVUVYHKCFID-IJLUTSLNSA-N 2 1 213.369 0.900 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000393789583 410761361 /nfs/dbraw/zinc/76/13/61/410761361.db2.gz CSDAEMHUYPUGMA-GFCCVEGCSA-N 2 1 222.336 0.884 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040673744 410885603 /nfs/dbraw/zinc/88/56/03/410885603.db2.gz JZSKLHSVANDEKC-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH3+] ZINC000040605676 410886239 /nfs/dbraw/zinc/88/62/39/410886239.db2.gz VWUKGBSGGCJWDE-UHFFFAOYSA-N 2 1 210.281 0.081 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919321 167049213 /nfs/dbraw/zinc/04/92/13/167049213.db2.gz ILRKCNUJHGLRIL-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594464 167050472 /nfs/dbraw/zinc/05/04/72/167050472.db2.gz XIANVNNJZMQTHI-LLVKDONJSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594464 167050475 /nfs/dbraw/zinc/05/04/75/167050475.db2.gz XIANVNNJZMQTHI-LLVKDONJSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044804884 167394416 /nfs/dbraw/zinc/39/44/16/167394416.db2.gz USZDWRSJKFJTAL-GFCCVEGCSA-N 2 1 239.363 0.524 20 0 BCADMP OC[C@H](CCF)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000652018497 410991776 /nfs/dbraw/zinc/99/17/76/410991776.db2.gz VBBJJNGNKDUCQF-NSHDSACASA-N 2 1 230.327 0.923 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(CO)CC1 ZINC000661619304 411061731 /nfs/dbraw/zinc/06/17/31/411061731.db2.gz LPUJHFZNMSEYAX-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(CO)CC1 ZINC000661619304 411061737 /nfs/dbraw/zinc/06/17/37/411061737.db2.gz LPUJHFZNMSEYAX-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623329 411077977 /nfs/dbraw/zinc/07/79/77/411077977.db2.gz ZMKMYSIGPSKWHS-QNWHQSFQSA-N 2 1 244.379 0.248 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623329 411077984 /nfs/dbraw/zinc/07/79/84/411077984.db2.gz ZMKMYSIGPSKWHS-QNWHQSFQSA-N 2 1 244.379 0.248 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623329 411077988 /nfs/dbraw/zinc/07/79/88/411077988.db2.gz ZMKMYSIGPSKWHS-QNWHQSFQSA-N 2 1 244.379 0.248 20 0 BCADMP [NH3+]CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655961348 411163000 /nfs/dbraw/zinc/16/30/00/411163000.db2.gz OIZUSIJMHHNVOO-QWRGUYRKSA-N 2 1 240.351 0.261 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538955 411137367 /nfs/dbraw/zinc/13/73/67/411137367.db2.gz BAZFUDSHGWZUKR-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659989627 411159234 /nfs/dbraw/zinc/15/92/34/411159234.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659989627 411159237 /nfs/dbraw/zinc/15/92/37/411159237.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000659989627 411159239 /nfs/dbraw/zinc/15/92/39/411159239.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780120 411169069 /nfs/dbraw/zinc/16/90/69/411169069.db2.gz WLWYKYIGFYMZAW-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780120 411169072 /nfs/dbraw/zinc/16/90/72/411169072.db2.gz WLWYKYIGFYMZAW-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CCO ZINC000653780120 411169073 /nfs/dbraw/zinc/16/90/73/411169073.db2.gz WLWYKYIGFYMZAW-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000653780120 411169076 /nfs/dbraw/zinc/16/90/76/411169076.db2.gz WLWYKYIGFYMZAW-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826647 411181345 /nfs/dbraw/zinc/18/13/45/411181345.db2.gz OSNLQZZTFUSOBZ-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCNC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000049727329 411243484 /nfs/dbraw/zinc/24/34/84/411243484.db2.gz GYUFDUKBFBFRTP-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CS1 ZINC000655754760 411184921 /nfs/dbraw/zinc/18/49/21/411184921.db2.gz HBCMRAGNRURVHO-WOPDTQHZSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CS1 ZINC000655754760 411184924 /nfs/dbraw/zinc/18/49/24/411184924.db2.gz HBCMRAGNRURVHO-WOPDTQHZSA-N 2 1 244.404 0.927 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)CN1CC(C(C)C)C1 ZINC000656151704 411187214 /nfs/dbraw/zinc/18/72/14/411187214.db2.gz BOHOZWCXYPUDIF-CYBMUJFWSA-N 2 1 244.379 0.513 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC(C(C)C)C1 ZINC000656151704 411187219 /nfs/dbraw/zinc/18/72/19/411187219.db2.gz BOHOZWCXYPUDIF-CYBMUJFWSA-N 2 1 244.379 0.513 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215603393 411189468 /nfs/dbraw/zinc/18/94/68/411189468.db2.gz GCNZZRDMHXBIRS-QWRGUYRKSA-N 2 1 230.352 0.456 20 0 BCADMP Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000656193950 411199377 /nfs/dbraw/zinc/19/93/77/411199377.db2.gz ZWBLEXPAQYLSOY-UWVGGRQHSA-N 2 1 235.335 0.014 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000652337579 411203677 /nfs/dbraw/zinc/20/36/77/411203677.db2.gz WKZOECWNYJFEQK-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000652337579 411203681 /nfs/dbraw/zinc/20/36/81/411203681.db2.gz WKZOECWNYJFEQK-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200264 411203792 /nfs/dbraw/zinc/20/37/92/411203792.db2.gz KPDREHRSEJMFBA-NDBYEHHHSA-N 3 1 225.380 0.914 20 0 BCADMP CCO[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652337233 411203910 /nfs/dbraw/zinc/20/39/10/411203910.db2.gz XIBLINHYYBRCLO-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000652338642 411204395 /nfs/dbraw/zinc/20/43/95/411204395.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 2 1 243.395 0.230 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000652341829 411205283 /nfs/dbraw/zinc/20/52/83/411205283.db2.gz XZFZWYVQWRIHNN-ZIAGYGMSSA-N 2 1 249.358 0.841 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000652343683 411208211 /nfs/dbraw/zinc/20/82/11/411208211.db2.gz FBJUIOAABMQSRK-GFCCVEGCSA-N 2 1 240.347 0.477 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000652343683 411208212 /nfs/dbraw/zinc/20/82/12/411208212.db2.gz FBJUIOAABMQSRK-GFCCVEGCSA-N 2 1 240.347 0.477 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000652344351 411209030 /nfs/dbraw/zinc/20/90/30/411209030.db2.gz SRVCPFBUZRUTCY-SDDRHHMPSA-N 2 1 242.388 0.802 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000652344351 411209032 /nfs/dbraw/zinc/20/90/32/411209032.db2.gz SRVCPFBUZRUTCY-SDDRHHMPSA-N 2 1 242.388 0.802 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349253 411211057 /nfs/dbraw/zinc/21/10/57/411211057.db2.gz HVDDOKXVRZOAJX-TUAOUCFPSA-N 2 1 227.352 0.163 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349253 411211059 /nfs/dbraw/zinc/21/10/59/411211059.db2.gz HVDDOKXVRZOAJX-TUAOUCFPSA-N 2 1 227.352 0.163 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000652353136 411211889 /nfs/dbraw/zinc/21/18/89/411211889.db2.gz GCSJPDVAVGQHGF-CHWSQXEVSA-N 2 1 244.379 0.846 20 0 BCADMP COCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655684398 411226163 /nfs/dbraw/zinc/22/61/63/411226163.db2.gz RSCRTQOXMWDIHA-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658086627 411233458 /nfs/dbraw/zinc/23/34/58/411233458.db2.gz CXAROCDIPIPHON-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422884537 411233559 /nfs/dbraw/zinc/23/35/59/411233559.db2.gz XFYCVSAMCSYKIH-RYUDHWBXSA-N 2 1 213.369 0.914 20 0 BCADMP [NH3+]CCCn1cc(C[NH+]2CCCC2)nn1 ZINC000656436376 411248548 /nfs/dbraw/zinc/24/85/48/411248548.db2.gz ZHKMPCOOGLZNPM-UHFFFAOYSA-N 2 1 209.297 0.223 20 0 BCADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728957 411240918 /nfs/dbraw/zinc/24/09/18/411240918.db2.gz CKCPMNKWIADHHO-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CO[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542888 411241467 /nfs/dbraw/zinc/24/14/67/411241467.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CS1 ZINC000655713368 411266869 /nfs/dbraw/zinc/26/68/69/411266869.db2.gz ZPHDXXMNEUIIEC-VWYCJHECSA-N 2 1 232.393 0.783 20 0 BCADMP C[C@@H](O)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716309 411271015 /nfs/dbraw/zinc/27/10/15/411271015.db2.gz ROOJJDVWDKJMFJ-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000659642185 411277441 /nfs/dbraw/zinc/27/74/41/411277441.db2.gz JTASSOOJHGNRTL-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659642458 411277551 /nfs/dbraw/zinc/27/75/51/411277551.db2.gz KOVQFQPUKLEUSO-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383586 411280674 /nfs/dbraw/zinc/28/06/74/411280674.db2.gz YUQYMVZRTCEESC-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000070650495 411284202 /nfs/dbraw/zinc/28/42/02/411284202.db2.gz GHYJYMOKKWCXLR-NSHDSACASA-N 2 1 227.352 0.001 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@@H]1CC[NH2+]C1 ZINC000051889737 411285080 /nfs/dbraw/zinc/28/50/80/411285080.db2.gz XVFZMMWWXCPLBS-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CC[NH2+]C1 ZINC000051889737 411285084 /nfs/dbraw/zinc/28/50/84/411285084.db2.gz XVFZMMWWXCPLBS-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CCNC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919222 411286504 /nfs/dbraw/zinc/28/65/04/411286504.db2.gz TYFPHOWUZKUHRB-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP Cc1ncccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000310856833 411289477 /nfs/dbraw/zinc/28/94/77/411289477.db2.gz PNBUIGGWDKQMOP-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062899022 411329346 /nfs/dbraw/zinc/32/93/46/411329346.db2.gz QFAGZUYHVPHUGP-PWSUYJOCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]([NH2+]C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000656560702 411303805 /nfs/dbraw/zinc/30/38/05/411303805.db2.gz GDUBNQNWMQIEBO-JGVFFNPUSA-N 2 1 212.297 0.891 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259670 411318103 /nfs/dbraw/zinc/31/81/03/411318103.db2.gz NGGNMRYGWZBUBD-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000653444549 411256141 /nfs/dbraw/zinc/25/61/41/411256141.db2.gz QQMFKGSWCWEEOR-WHOHXGKFSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](C)CO)CC1 ZINC000653727550 411257685 /nfs/dbraw/zinc/25/76/85/411257685.db2.gz DDKZARFKXFKOOR-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062858944 411326765 /nfs/dbraw/zinc/32/67/65/411326765.db2.gz XMLZEYSQEANKNE-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660616469 411355885 /nfs/dbraw/zinc/35/58/85/411355885.db2.gz LOGFAQXVXXSOFM-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660616469 411355890 /nfs/dbraw/zinc/35/58/90/411355890.db2.gz LOGFAQXVXXSOFM-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660616469 411355893 /nfs/dbraw/zinc/35/58/93/411355893.db2.gz LOGFAQXVXXSOFM-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP NC1(C[NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000656789488 411369559 /nfs/dbraw/zinc/36/95/59/411369559.db2.gz OURXLKCONLZVHF-UHFFFAOYSA-N 2 1 211.353 0.847 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000656790578 411370358 /nfs/dbraw/zinc/37/03/58/411370358.db2.gz BIJHLFSMKWBUPY-GFCCVEGCSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2COCCO2)CC[NH2+]1 ZINC000656790586 411371064 /nfs/dbraw/zinc/37/10/64/411371064.db2.gz BSEVCROAIRLBNZ-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2COCCO2)CC[NH2+]1 ZINC000656790584 411371288 /nfs/dbraw/zinc/37/12/88/411371288.db2.gz BSEVCROAIRLBNZ-FRRDWIJNSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(C)CC1 ZINC000167428743 411340836 /nfs/dbraw/zinc/34/08/36/411340836.db2.gz VUGLBZSEMZHWBO-VHSXEESVSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)[NH+]1CC(C)C1 ZINC000654376326 411381755 /nfs/dbraw/zinc/38/17/55/411381755.db2.gz SVVODRGPDOIOHX-LBPRGKRZSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CC(C)C1 ZINC000654376326 411381759 /nfs/dbraw/zinc/38/17/59/411381759.db2.gz SVVODRGPDOIOHX-LBPRGKRZSA-N 2 1 239.363 0.491 20 0 BCADMP CC1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050247216 168172755 /nfs/dbraw/zinc/17/27/55/168172755.db2.gz RDHDRGHHWUHAQK-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP CC1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050247216 168172757 /nfs/dbraw/zinc/17/27/57/168172757.db2.gz RDHDRGHHWUHAQK-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH3+] ZINC000638243728 411459007 /nfs/dbraw/zinc/45/90/07/411459007.db2.gz RMGWZRGDLBQLBC-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000659493350 411459189 /nfs/dbraw/zinc/45/91/89/411459189.db2.gz FKXMBJCNVFYZLE-MNOVXSKESA-N 2 1 244.383 0.622 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404424797 411396701 /nfs/dbraw/zinc/39/67/01/411396701.db2.gz KYUFWEWKVBTPIW-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000126883444 411460959 /nfs/dbraw/zinc/46/09/59/411460959.db2.gz DQODFOPTIOEVDE-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+](C)C ZINC000654534740 411408765 /nfs/dbraw/zinc/40/87/65/411408765.db2.gz GMYCTFBMCUVPQZ-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659455168 411416546 /nfs/dbraw/zinc/41/65/46/411416546.db2.gz UQEZEZADEHTOES-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)NCCn1cc[nH+]c1C ZINC000659446249 411416624 /nfs/dbraw/zinc/41/66/24/411416624.db2.gz AGHPWNGDHBKSPT-VIFPVBQESA-N 2 1 239.323 0.099 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659462741 411418213 /nfs/dbraw/zinc/41/82/13/411418213.db2.gz GSGWBMAZTACTHC-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653566731 411423593 /nfs/dbraw/zinc/42/35/93/411423593.db2.gz HMGLUCFNGJQXNG-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653566731 411423596 /nfs/dbraw/zinc/42/35/96/411423596.db2.gz HMGLUCFNGJQXNG-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000653566731 411423598 /nfs/dbraw/zinc/42/35/98/411423598.db2.gz HMGLUCFNGJQXNG-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000653566731 411423600 /nfs/dbraw/zinc/42/36/00/411423600.db2.gz HMGLUCFNGJQXNG-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568040 411423669 /nfs/dbraw/zinc/42/36/69/411423669.db2.gz JDTBFNZPGNFQED-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568040 411423672 /nfs/dbraw/zinc/42/36/72/411423672.db2.gz JDTBFNZPGNFQED-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568040 411423674 /nfs/dbraw/zinc/42/36/74/411423674.db2.gz JDTBFNZPGNFQED-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568040 411423676 /nfs/dbraw/zinc/42/36/76/411423676.db2.gz JDTBFNZPGNFQED-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC(C)(C)O)C[C@H]1C[NH3+] ZINC000405371942 411427369 /nfs/dbraw/zinc/42/73/69/411427369.db2.gz JZFIGDKNQGNVRK-NXEZZACHSA-N 2 1 216.325 0.053 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513484 411433462 /nfs/dbraw/zinc/43/34/62/411433462.db2.gz GNUCMPZQOUIYHK-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609726 411441525 /nfs/dbraw/zinc/44/15/25/411441525.db2.gz LDGYRRLVVPXSAV-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608999 411441761 /nfs/dbraw/zinc/44/17/61/411441761.db2.gz HSZKODUVOISPFF-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC(C)(C)C[NH3+] ZINC000637829044 411443410 /nfs/dbraw/zinc/44/34/10/411443410.db2.gz MDNBXMLJGCUEQM-UHFFFAOYSA-N 2 1 210.281 0.045 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000637845517 411445214 /nfs/dbraw/zinc/44/52/14/411445214.db2.gz PUKWZXWSQKLEMN-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000654983817 411470285 /nfs/dbraw/zinc/47/02/85/411470285.db2.gz YDKBQVLACVVQGH-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309466476 411496679 /nfs/dbraw/zinc/49/66/79/411496679.db2.gz SLPCGMMYYUYDPR-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309466476 411496684 /nfs/dbraw/zinc/49/66/84/411496684.db2.gz SLPCGMMYYUYDPR-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925174 411513970 /nfs/dbraw/zinc/51/39/70/411513970.db2.gz JQIRKVNPYMMPHW-PHIMTYICSA-N 2 1 225.336 0.289 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000659991714 411522258 /nfs/dbraw/zinc/52/22/58/411522258.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000659991714 411522261 /nfs/dbraw/zinc/52/22/61/411522261.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000659991714 411522262 /nfs/dbraw/zinc/52/22/62/411522262.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000659991714 411522265 /nfs/dbraw/zinc/52/22/65/411522265.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037643432 170007590 /nfs/dbraw/zinc/00/75/90/170007590.db2.gz IUOBWCFAUKOWBT-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040464014 170008020 /nfs/dbraw/zinc/00/80/20/170008020.db2.gz GMMJRYOEPXPMCZ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044802669 170008032 /nfs/dbraw/zinc/00/80/32/170008032.db2.gz YFKAYFBHZIUWDY-RYUDHWBXSA-N 2 1 241.379 0.675 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372119202 170008116 /nfs/dbraw/zinc/00/81/16/170008116.db2.gz XPTFEOGGUXUXAK-JQWIXIFHSA-N 2 1 243.326 0.146 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000082394293 170008750 /nfs/dbraw/zinc/00/87/50/170008750.db2.gz AQHRMLKOEICWPN-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000082394293 170008751 /nfs/dbraw/zinc/00/87/51/170008751.db2.gz AQHRMLKOEICWPN-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)C[C@@H]1C ZINC000357254782 170009347 /nfs/dbraw/zinc/00/93/47/170009347.db2.gz ZIZFDQJRGKEUBT-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCO)C[C@@H]1C ZINC000336715761 170010749 /nfs/dbraw/zinc/01/07/49/170010749.db2.gz UVDWETZJQKKEFP-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCO)C[C@@H]1C ZINC000336715761 170010750 /nfs/dbraw/zinc/01/07/50/170010750.db2.gz UVDWETZJQKKEFP-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000335150591 170012449 /nfs/dbraw/zinc/01/24/49/170012449.db2.gz OEUYKNPUPCSGPY-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000335150591 170012451 /nfs/dbraw/zinc/01/24/51/170012451.db2.gz OEUYKNPUPCSGPY-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000335150591 170012452 /nfs/dbraw/zinc/01/24/52/170012452.db2.gz OEUYKNPUPCSGPY-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018689 /nfs/dbraw/zinc/01/86/89/170018689.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 2 1 213.369 0.997 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000335150592 170019318 /nfs/dbraw/zinc/01/93/18/170019318.db2.gz OEUYKNPUPCSGPY-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000335150592 170019320 /nfs/dbraw/zinc/01/93/20/170019320.db2.gz OEUYKNPUPCSGPY-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000335150592 170019321 /nfs/dbraw/zinc/01/93/21/170019321.db2.gz OEUYKNPUPCSGPY-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC000119445320 170020333 /nfs/dbraw/zinc/02/03/33/170020333.db2.gz QCIBDOVOWLACPH-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](COC)OC)[C@H](C)C1 ZINC000358428906 170020377 /nfs/dbraw/zinc/02/03/77/170020377.db2.gz DWKKBHSVJCZMOF-AGIUHOORSA-N 2 1 244.379 0.968 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H](C)C1 ZINC000336778401 170020913 /nfs/dbraw/zinc/02/09/13/170020913.db2.gz LHIZJRSNACUMCZ-GUBZILKMSA-N 2 1 236.306 0.932 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130881 170021479 /nfs/dbraw/zinc/02/14/79/170021479.db2.gz MZNYLUSXAQBZNU-UPJWGTAASA-N 2 1 243.395 0.229 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@H](C)C1 ZINC000309969973 170022123 /nfs/dbraw/zinc/02/21/23/170022123.db2.gz OYHNLUMXCLMYAK-MXWKQRLJSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@H](C)C1 ZINC000309969973 170022125 /nfs/dbraw/zinc/02/21/25/170022125.db2.gz OYHNLUMXCLMYAK-MXWKQRLJSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH3+] ZINC000236848573 170023700 /nfs/dbraw/zinc/02/37/00/170023700.db2.gz QJOOVEGLCIVJGB-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@@H+]1CCc2nc(NC(=O)C[NH3+])sc2C1 ZINC000236906115 170025304 /nfs/dbraw/zinc/02/53/04/170025304.db2.gz UDJSOGBOOIDLNB-UHFFFAOYSA-N 2 1 240.332 0.418 20 0 BCADMP CC[N@H+]1CCc2nc(NC(=O)C[NH3+])sc2C1 ZINC000236906115 170025305 /nfs/dbraw/zinc/02/53/05/170025305.db2.gz UDJSOGBOOIDLNB-UHFFFAOYSA-N 2 1 240.332 0.418 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000336755751 170038253 /nfs/dbraw/zinc/03/82/53/170038253.db2.gz IGSZBRODQJTBLU-SDDRHHMPSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000336755751 170038254 /nfs/dbraw/zinc/03/82/54/170038254.db2.gz IGSZBRODQJTBLU-SDDRHHMPSA-N 2 1 213.369 0.866 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626500 170059721 /nfs/dbraw/zinc/05/97/21/170059721.db2.gz JBMGCTVVPUFMRZ-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366409838 170114410 /nfs/dbraw/zinc/11/44/10/170114410.db2.gz ZUBZWXURLXRQDO-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366409841 170114837 /nfs/dbraw/zinc/11/48/37/170114837.db2.gz ZUBZWXURLXRQDO-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000042430838 170206285 /nfs/dbraw/zinc/20/62/85/170206285.db2.gz YHFBDEYSJFCRON-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP CCOC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394660 170218726 /nfs/dbraw/zinc/21/87/26/170218726.db2.gz XONIOKYIZOMSDP-UHFFFAOYSA-N 2 1 228.336 0.823 20 0 BCADMP OC/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657592717 411556626 /nfs/dbraw/zinc/55/66/26/411556626.db2.gz ALZXOXMCSGWKFT-NUYITTKVSA-N 2 1 210.321 0.751 20 0 BCADMP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544982 170267886 /nfs/dbraw/zinc/26/78/86/170267886.db2.gz PZECWSHAZXPQEI-NNYUYHANSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544982 170267887 /nfs/dbraw/zinc/26/78/87/170267887.db2.gz PZECWSHAZXPQEI-NNYUYHANSA-N 2 1 240.347 0.997 20 0 BCADMP CCOCC[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309396044 170389402 /nfs/dbraw/zinc/38/94/02/170389402.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CCOCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309396044 170389400 /nfs/dbraw/zinc/38/94/00/170389400.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CCOCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600583 170398488 /nfs/dbraw/zinc/39/84/88/170398488.db2.gz OTXFOIHTNHADKG-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000657704255 411583746 /nfs/dbraw/zinc/58/37/46/411583746.db2.gz RJVLNNVHNJUTQK-NEPJUHHUSA-N 2 1 224.348 0.974 20 0 BCADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660532229 411596771 /nfs/dbraw/zinc/59/67/71/411596771.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660532229 411596772 /nfs/dbraw/zinc/59/67/72/411596772.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660532229 411596774 /nfs/dbraw/zinc/59/67/74/411596774.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660532229 411596776 /nfs/dbraw/zinc/59/67/76/411596776.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840714 411610065 /nfs/dbraw/zinc/61/00/65/411610065.db2.gz VLRAAQKQJHREQH-FRRDWIJNSA-N 2 1 249.362 0.883 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCSCC1 ZINC000657876509 411614630 /nfs/dbraw/zinc/61/46/30/411614630.db2.gz XJHHKHFDIOTJLV-GHMZBOCLSA-N 2 1 232.393 0.784 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000133321830 411710435 /nfs/dbraw/zinc/71/04/35/411710435.db2.gz VRRODTWGYCOIST-JQWIXIFHSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000133321830 411710438 /nfs/dbraw/zinc/71/04/38/411710438.db2.gz VRRODTWGYCOIST-JQWIXIFHSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@](C)([NH3+])CNc1nc(C)[nH+]c(C)c1C ZINC000354411731 411649372 /nfs/dbraw/zinc/64/93/72/411649372.db2.gz ZJJOBPPINWUMEL-GFCCVEGCSA-N 2 1 238.335 1.178 20 0 BCADMP C[C@H]([NH3+])C1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494585 411675776 /nfs/dbraw/zinc/67/57/76/411675776.db2.gz JNDMHVYTBOBYLK-WCFLWFBJSA-N 2 1 223.364 0.655 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000663496222 411677497 /nfs/dbraw/zinc/67/74/97/411677497.db2.gz DQKLUWVBJGICGK-CRWXNKLISA-N 3 1 235.375 0.657 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000663496222 411677502 /nfs/dbraw/zinc/67/75/02/411677502.db2.gz DQKLUWVBJGICGK-CRWXNKLISA-N 3 1 235.375 0.657 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccn(C)n1 ZINC000663498213 411681343 /nfs/dbraw/zinc/68/13/43/411681343.db2.gz MWEJUNFMDWSHIJ-LLVKDONJSA-N 2 1 210.325 0.883 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663500167 411683354 /nfs/dbraw/zinc/68/33/54/411683354.db2.gz YNBRDQGLNLHHAL-GMXVVIOVSA-N 3 1 223.364 0.574 20 0 BCADMP Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+]2)[nH+]c1 ZINC000444192342 411689190 /nfs/dbraw/zinc/68/91/90/411689190.db2.gz YOAHJJZHDDBNHN-LLVKDONJSA-N 2 1 248.330 0.670 20 0 BCADMP Cn1cncc1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000314415416 411690100 /nfs/dbraw/zinc/69/01/00/411690100.db2.gz VHBJKQFEBWQNIW-TXEJJXNPSA-N 2 1 234.347 0.504 20 0 BCADMP CCn1nccc1C[NH2+]C1CC[NH2+]CC1 ZINC000663513566 411695588 /nfs/dbraw/zinc/69/55/88/411695588.db2.gz LHSBAVFFCNXHFS-UHFFFAOYSA-N 2 1 208.309 0.745 20 0 BCADMP C[C@@H](C[NH3+])Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000420241379 411817957 /nfs/dbraw/zinc/81/79/57/411817957.db2.gz HXWSAPHJQIKHRY-JTQLQIEISA-N 2 1 235.335 1.226 20 0 BCADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccnc(N)c1 ZINC000420367458 411863518 /nfs/dbraw/zinc/86/35/18/411863518.db2.gz SFSQFNFENJUYBI-JTQLQIEISA-N 2 1 222.336 1.127 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccnc(N)c1 ZINC000420367458 411863523 /nfs/dbraw/zinc/86/35/23/411863523.db2.gz SFSQFNFENJUYBI-JTQLQIEISA-N 2 1 222.336 1.127 20 0 BCADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(N)nc1 ZINC000647548034 411863757 /nfs/dbraw/zinc/86/37/57/411863757.db2.gz SGTIFAMZGIYWBV-SNVBAGLBSA-N 2 1 222.336 1.127 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647548034 411863761 /nfs/dbraw/zinc/86/37/61/411863761.db2.gz SGTIFAMZGIYWBV-SNVBAGLBSA-N 2 1 222.336 1.127 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661825168 411893002 /nfs/dbraw/zinc/89/30/02/411893002.db2.gz CXJWGHHGLYJNDE-RYUDHWBXSA-N 2 1 235.331 0.856 20 0 BCADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(N)s1 ZINC000572762686 411902745 /nfs/dbraw/zinc/90/27/45/411902745.db2.gz ALZLTLSQIOSWMK-SSDOTTSWSA-N 2 1 214.338 0.670 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029887 411942871 /nfs/dbraw/zinc/94/28/71/411942871.db2.gz CMJHDUKRTXKOPM-VXGBXAGGSA-N 2 1 235.331 0.931 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000634999108 411930300 /nfs/dbraw/zinc/93/03/00/411930300.db2.gz QBOJWUSBEHFTOQ-JGVFFNPUSA-N 2 1 226.349 0.752 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877910 /nfs/dbraw/zinc/87/79/10/411877910.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877918 /nfs/dbraw/zinc/87/79/18/411877918.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877924 /nfs/dbraw/zinc/87/79/24/411877924.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP Cc1nc(N)nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000631188889 411965835 /nfs/dbraw/zinc/96/58/35/411965835.db2.gz LBEVMNGXKDLEHC-HTQZYQBOSA-N 2 1 236.323 0.291 20 0 BCADMP Nc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000563153266 411976905 /nfs/dbraw/zinc/97/69/05/411976905.db2.gz DJALJVYHTGIJLF-NSHDSACASA-N 2 1 220.320 0.835 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001674 /nfs/dbraw/zinc/00/16/74/412001674.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001676 /nfs/dbraw/zinc/00/16/76/412001676.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001679 /nfs/dbraw/zinc/00/16/79/412001679.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 2 1 244.379 0.249 20 0 BCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152714 412008824 /nfs/dbraw/zinc/00/88/24/412008824.db2.gz YDZPKMMRCLBOMG-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152714 412008829 /nfs/dbraw/zinc/00/88/29/412008829.db2.gz YDZPKMMRCLBOMG-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219974955 412010169 /nfs/dbraw/zinc/01/01/69/412010169.db2.gz UHWANJPHWODOJM-JTQLQIEISA-N 2 1 227.352 0.583 20 0 BCADMP Nc1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000647546537 411956827 /nfs/dbraw/zinc/95/68/27/411956827.db2.gz OPMRAFOROGFONY-UHFFFAOYSA-N 2 1 206.293 0.505 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000662237352 412033718 /nfs/dbraw/zinc/03/37/18/412033718.db2.gz IRUBEDBJPYGXBO-NEPJUHHUSA-N 2 1 230.352 0.579 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238799 412034471 /nfs/dbraw/zinc/03/44/71/412034471.db2.gz WQPDXWGNVAMNPG-LBPRGKRZSA-N 3 1 239.363 0.191 20 0 BCADMP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238799 412034476 /nfs/dbraw/zinc/03/44/76/412034476.db2.gz WQPDXWGNVAMNPG-LBPRGKRZSA-N 2 1 239.363 0.191 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+])OC ZINC000662244067 412040096 /nfs/dbraw/zinc/04/00/96/412040096.db2.gz GEQNHQCXQFRMKQ-SDDRHHMPSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+])OC ZINC000662244067 412040100 /nfs/dbraw/zinc/04/01/00/412040100.db2.gz GEQNHQCXQFRMKQ-SDDRHHMPSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662245079 412041312 /nfs/dbraw/zinc/04/13/12/412041312.db2.gz MYPDJRRCWGGQLT-UTUOFQBUSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249709 412046028 /nfs/dbraw/zinc/04/60/28/412046028.db2.gz YIKYFLFRANKPDO-GHMZBOCLSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249709 412046032 /nfs/dbraw/zinc/04/60/32/412046032.db2.gz YIKYFLFRANKPDO-GHMZBOCLSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@@](CN)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248022 412046245 /nfs/dbraw/zinc/04/62/45/412046245.db2.gz RARBYVWQOLUBFU-NEPJUHHUSA-N 2 1 239.363 0.224 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249710 412046534 /nfs/dbraw/zinc/04/65/34/412046534.db2.gz YIKYFLFRANKPDO-MNOVXSKESA-N 2 1 226.320 0.228 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249710 412046539 /nfs/dbraw/zinc/04/65/39/412046539.db2.gz YIKYFLFRANKPDO-MNOVXSKESA-N 2 1 226.320 0.228 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCC1 ZINC000662275610 412048385 /nfs/dbraw/zinc/04/83/85/412048385.db2.gz CYQFNCOPTXQCOZ-WDEREUQCSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255083 412049097 /nfs/dbraw/zinc/04/90/97/412049097.db2.gz OFXHTDIAXWOQQN-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255254 412051898 /nfs/dbraw/zinc/05/18/98/412051898.db2.gz BOCLAASHNSJMQA-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000220125143 412056662 /nfs/dbraw/zinc/05/66/62/412056662.db2.gz NUCDBWFZUOTNJB-LLVKDONJSA-N 2 1 229.368 0.831 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662266213 412058756 /nfs/dbraw/zinc/05/87/56/412058756.db2.gz KTJOIZCRQJNIHJ-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662266213 412058760 /nfs/dbraw/zinc/05/87/60/412058760.db2.gz KTJOIZCRQJNIHJ-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CNCCO3)C[C@@H]21 ZINC000662267517 412061140 /nfs/dbraw/zinc/06/11/40/412061140.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 2 1 239.363 0.034 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267517 412061142 /nfs/dbraw/zinc/06/11/42/412061142.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 2 1 239.363 0.034 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000308613489 171058620 /nfs/dbraw/zinc/05/86/20/171058620.db2.gz RFRCYJGFUDRCBD-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272319 412062614 /nfs/dbraw/zinc/06/26/14/412062614.db2.gz DXYGLPDYHBSQGG-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CN1CCC[C@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662272136 412063939 /nfs/dbraw/zinc/06/39/39/412063939.db2.gz KMQNRGCOBHJNSB-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCC1 ZINC000662275608 412066992 /nfs/dbraw/zinc/06/69/92/412066992.db2.gz CYQFNCOPTXQCOZ-MNOVXSKESA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](C[N@@H+](C)C1CC([NH3+])C1)OC ZINC000662274770 412067991 /nfs/dbraw/zinc/06/79/91/412067991.db2.gz WWBBHRRFNKCQBF-UDNWOFFPSA-N 2 1 202.298 0.069 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000353473814 171146605 /nfs/dbraw/zinc/14/66/05/171146605.db2.gz VOXBXTADWROICB-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)OC ZINC000662277671 412069152 /nfs/dbraw/zinc/06/91/52/412069152.db2.gz RSQPNGJDFJYSCK-FIQHERPVSA-N 2 1 230.352 0.624 20 0 BCADMP COC[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)OC ZINC000662278494 412070652 /nfs/dbraw/zinc/07/06/52/412070652.db2.gz YNSPEEGNOLJSJC-VHSXEESVSA-N 2 1 218.341 0.611 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285166 412077651 /nfs/dbraw/zinc/07/76/51/412077651.db2.gz YMWBPXUKUIJUJC-CMPLNLGQSA-N 2 1 240.347 0.353 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000338963481 171234005 /nfs/dbraw/zinc/23/40/05/171234005.db2.gz KCEDLNMJVPFPHL-SDDRHHMPSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](COC)OC ZINC000662281859 412073731 /nfs/dbraw/zinc/07/37/31/412073731.db2.gz QIVMARVCQRRJHN-JTQLQIEISA-N 2 1 204.314 0.189 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298589 171304560 /nfs/dbraw/zinc/30/45/60/171304560.db2.gz ITWXETUCGMFYHU-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000365049025 171306229 /nfs/dbraw/zinc/30/62/29/171306229.db2.gz RQXWERDHLXSZDF-CMPLNLGQSA-N 2 1 245.342 0.535 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000226397250 171306547 /nfs/dbraw/zinc/30/65/47/171306547.db2.gz JVHSLRZGIVTVDE-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662294916 412084532 /nfs/dbraw/zinc/08/45/32/412084532.db2.gz GYPRGSUOQAPVIN-LLVKDONJSA-N 2 1 223.324 0.210 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224223639 171325375 /nfs/dbraw/zinc/32/53/75/171325375.db2.gz GVLGYSGMQHHFCM-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224223639 171325376 /nfs/dbraw/zinc/32/53/76/171325376.db2.gz GVLGYSGMQHHFCM-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291924 412081777 /nfs/dbraw/zinc/08/17/77/412081777.db2.gz ARPBGKGEYICAMS-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP c1cn(C[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662294338 412081882 /nfs/dbraw/zinc/08/18/82/412081882.db2.gz ASADYMGSPUSFTL-QWHCGFSZSA-N 2 1 249.362 0.600 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307735 412092376 /nfs/dbraw/zinc/09/23/76/412092376.db2.gz YKRKZGXLVLKITQ-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307728 412093127 /nfs/dbraw/zinc/09/31/27/412093127.db2.gz YJXANWIVQABUJX-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP Cn1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)nn1 ZINC000662312180 412093984 /nfs/dbraw/zinc/09/39/84/412093984.db2.gz XAIUZIXECLYLHD-JTQLQIEISA-N 2 1 223.324 0.247 20 0 BCADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)nn1 ZINC000662312180 412093988 /nfs/dbraw/zinc/09/39/88/412093988.db2.gz XAIUZIXECLYLHD-JTQLQIEISA-N 2 1 223.324 0.247 20 0 BCADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC[NH3+])cn1 ZINC000662309758 412094732 /nfs/dbraw/zinc/09/47/32/412094732.db2.gz DALAAZMCPVBFPT-NEPJUHHUSA-N 2 1 222.336 0.680 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316221 412094913 /nfs/dbraw/zinc/09/49/13/412094913.db2.gz XJJMBGCGENTCDZ-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317253 412097709 /nfs/dbraw/zinc/09/77/09/412097709.db2.gz NXJLCILMTWOCJZ-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317253 412097711 /nfs/dbraw/zinc/09/77/11/412097711.db2.gz NXJLCILMTWOCJZ-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP [NH3+]CCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662318201 412098735 /nfs/dbraw/zinc/09/87/35/412098735.db2.gz XLXOFDIUQBBOSX-NSHDSACASA-N 2 1 225.336 0.280 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCC[NH3+] ZINC000662318106 412098856 /nfs/dbraw/zinc/09/88/56/412098856.db2.gz VYSPZFUHHRWUAC-CHWSQXEVSA-N 3 1 243.395 0.801 20 0 BCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000662322986 412099632 /nfs/dbraw/zinc/09/96/32/412099632.db2.gz NZXXQOQRMFIOMV-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321705 412099843 /nfs/dbraw/zinc/09/98/43/412099843.db2.gz CRJOGDMASSNAPS-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP C[NH+](C)CCC[C@H]1C[N@H+](CCO)CCO1 ZINC000662319543 412100171 /nfs/dbraw/zinc/10/01/71/412100171.db2.gz JXEYFRGMIDZJKU-NSHDSACASA-N 2 1 216.325 0.021 20 0 BCADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCO)CCO1 ZINC000662319543 412100176 /nfs/dbraw/zinc/10/01/76/412100176.db2.gz JXEYFRGMIDZJKU-NSHDSACASA-N 2 1 216.325 0.021 20 0 BCADMP C[C@H](CO)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326025 412102669 /nfs/dbraw/zinc/10/26/69/412102669.db2.gz TXWYNAVTOWDUGV-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@H](CO)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326026 412103229 /nfs/dbraw/zinc/10/32/29/412103229.db2.gz TXWYNAVTOWDUGV-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1=CCSC1 ZINC000662327552 412104446 /nfs/dbraw/zinc/10/44/46/412104446.db2.gz RRPLHGPQBCEHIQ-LLVKDONJSA-N 2 1 230.377 0.562 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1=CCSC1 ZINC000662327552 412104448 /nfs/dbraw/zinc/10/44/48/412104448.db2.gz RRPLHGPQBCEHIQ-LLVKDONJSA-N 2 1 230.377 0.562 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000662364296 412123392 /nfs/dbraw/zinc/12/33/92/412123392.db2.gz XOGBLVZAXXGQBC-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000665234415 412175229 /nfs/dbraw/zinc/17/52/29/412175229.db2.gz CKLWTWUUAGRKMO-YUSALJHKSA-N 2 1 212.337 0.878 20 0 BCADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000665236418 412177212 /nfs/dbraw/zinc/17/72/12/412177212.db2.gz MBGGKNZFLIYUMS-RYUDHWBXSA-N 2 1 228.336 0.380 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000665241962 412184047 /nfs/dbraw/zinc/18/40/47/412184047.db2.gz GBNGCPJKEUEIEF-ZJUUUORDSA-N 2 1 223.324 0.353 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000662474813 412188035 /nfs/dbraw/zinc/18/80/35/412188035.db2.gz CSBZQVLPBFQWOV-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662485607 412191035 /nfs/dbraw/zinc/19/10/35/412191035.db2.gz HIFVYPOHNNELGY-LLVKDONJSA-N 2 1 229.368 0.833 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662514196 412201903 /nfs/dbraw/zinc/20/19/03/412201903.db2.gz LIRBXOGIUVDUHD-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000662537722 412208569 /nfs/dbraw/zinc/20/85/69/412208569.db2.gz FEJBNTCGXKBPQK-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000662539007 412209077 /nfs/dbraw/zinc/20/90/77/412209077.db2.gz XVYMQOBWFHLERI-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234830 412173455 /nfs/dbraw/zinc/17/34/55/412173455.db2.gz KOASPBMROSAGHJ-YVECIDJPSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000665234416 412174076 /nfs/dbraw/zinc/17/40/76/412174076.db2.gz CKLWTWUUAGRKMO-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000662438355 412174344 /nfs/dbraw/zinc/17/43/44/412174344.db2.gz ZPTIYKFLTNOUKM-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662439338 412175000 /nfs/dbraw/zinc/17/50/00/412175000.db2.gz KPZWEYMWVWLPKU-GHMZBOCLSA-N 2 1 229.368 0.831 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000662678925 412268738 /nfs/dbraw/zinc/26/87/38/412268738.db2.gz KLQDMBQYHVVVDI-WOPDTQHZSA-N 2 1 241.379 0.973 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000662682690 412269982 /nfs/dbraw/zinc/26/99/82/412269982.db2.gz RZNWDXGPLARDIS-BJDJZHNGSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000662685635 412270650 /nfs/dbraw/zinc/27/06/50/412270650.db2.gz WOMLBBABENRCAI-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000662702633 412275411 /nfs/dbraw/zinc/27/54/11/412275411.db2.gz AQJFQWVIHLSBHU-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000662700373 412276062 /nfs/dbraw/zinc/27/60/62/412276062.db2.gz HTWURHFKBPGQDK-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000662703865 412276953 /nfs/dbraw/zinc/27/69/53/412276953.db2.gz PGFTYPRVKABFBE-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000662703865 412276957 /nfs/dbraw/zinc/27/69/57/412276957.db2.gz PGFTYPRVKABFBE-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000662711293 412279411 /nfs/dbraw/zinc/27/94/11/412279411.db2.gz AVAFQZOLFYRKSM-OPRDCNLKSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662731471 412286441 /nfs/dbraw/zinc/28/64/41/412286441.db2.gz DFWHCWPBYBRLAT-XWLWVQCSSA-N 2 1 225.336 0.323 20 0 BCADMP COC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)C ZINC000665277497 412220404 /nfs/dbraw/zinc/22/04/04/412220404.db2.gz CRDFOYRLTCRZMR-MOENNCHZSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277652 412220743 /nfs/dbraw/zinc/22/07/43/412220743.db2.gz HNDOBKNJDGTHRN-QTAHKJALSA-N 2 1 209.337 0.278 20 0 BCADMP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@H+]1C1CC1 ZINC000665277516 412221075 /nfs/dbraw/zinc/22/10/75/412221075.db2.gz DFDRRKNGBCCXRT-JJMZSNKZSA-N 2 1 235.375 0.953 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000662567985 412222702 /nfs/dbraw/zinc/22/27/02/412222702.db2.gz OOPAHFHHSLGETQ-GXSJLCMTSA-N 2 1 231.315 0.144 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000662567443 412222942 /nfs/dbraw/zinc/22/29/42/412222942.db2.gz KAHOASNPFWOYFM-LLVKDONJSA-N 2 1 231.315 0.144 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[NH2+]C1CC1 ZINC000662585565 412229938 /nfs/dbraw/zinc/22/99/38/412229938.db2.gz KKIPXGZWYGWYPJ-UHFFFAOYSA-N 2 1 208.265 0.120 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cnc[nH]1 ZINC000662585517 412230027 /nfs/dbraw/zinc/23/00/27/412230027.db2.gz JPQUNYAKMCISOP-SNVBAGLBSA-N 2 1 224.308 0.742 20 0 BCADMP CC(C)[C@@H](C(=O)N(C)Cc1cnc[nH]1)[C@H](C)[NH3+] ZINC000662586172 412230158 /nfs/dbraw/zinc/23/01/58/412230158.db2.gz PZFSGAHTQUMVBI-GXSJLCMTSA-N 2 1 238.335 0.988 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000662622192 412244454 /nfs/dbraw/zinc/24/44/54/412244454.db2.gz QGLCCXNVOGOLTA-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621847 412244527 /nfs/dbraw/zinc/24/45/27/412244527.db2.gz XMIUPZRYNLVASF-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621066 412245144 /nfs/dbraw/zinc/24/51/44/412245144.db2.gz TZKMKJKVJMLGQB-NSHDSACASA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@H](C)C[NH2+]C ZINC000665298217 412245817 /nfs/dbraw/zinc/24/58/17/412245817.db2.gz UEIMYSGQJRRHBP-NXEZZACHSA-N 2 1 211.313 0.254 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)C[NH2+]C ZINC000665298220 412247017 /nfs/dbraw/zinc/24/70/17/412247017.db2.gz UEIMYSGQJRRHBP-ZJUUUORDSA-N 2 1 211.313 0.254 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC1([NH3+])CC1 ZINC000662802344 412306193 /nfs/dbraw/zinc/30/61/93/412306193.db2.gz NWKHNYWGICYGQR-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806621 412307354 /nfs/dbraw/zinc/30/73/54/412307354.db2.gz SJMYKKQYBBYCML-FIQHERPVSA-N 2 1 237.347 0.276 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662821551 412310751 /nfs/dbraw/zinc/31/07/51/412310751.db2.gz HCHKLZIHZFQHJE-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837777 412316410 /nfs/dbraw/zinc/31/64/10/412316410.db2.gz KZICEJBNLOMQAC-GARJFASQSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836781 412316802 /nfs/dbraw/zinc/31/68/02/412316802.db2.gz DIAVDCPMSHNMSX-NXEZZACHSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837781 412316971 /nfs/dbraw/zinc/31/69/71/412316971.db2.gz KZICEJBNLOMQAC-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662926112 412346999 /nfs/dbraw/zinc/34/69/99/412346999.db2.gz WDBPENBIMIBGFA-RKDXNWHRSA-N 2 1 231.365 0.139 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132905654 412351232 /nfs/dbraw/zinc/35/12/32/412351232.db2.gz SEPUZIDVGRGBDW-HBNTYKKESA-N 2 1 225.336 0.467 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966389 412358291 /nfs/dbraw/zinc/35/82/91/412358291.db2.gz RBBACCSFIYRPHI-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000662744058 412289701 /nfs/dbraw/zinc/28/97/01/412289701.db2.gz CCYXSIKFCYSACT-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000662746228 412289780 /nfs/dbraw/zinc/28/97/80/412289780.db2.gz SBTFOVBRLNDWKA-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000662746231 412289973 /nfs/dbraw/zinc/28/99/73/412289973.db2.gz SBTFOVBRLNDWKA-WDEREUQCSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662767068 412296335 /nfs/dbraw/zinc/29/63/35/412296335.db2.gz RHTCWZQQDKXYGL-LDWIPMOCSA-N 2 1 243.257 0.428 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792991 412304956 /nfs/dbraw/zinc/30/49/56/412304956.db2.gz QGCGETLXGOLIMU-SRVKXCTJSA-N 2 1 239.363 0.522 20 0 BCADMP CCn1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358171572 172172266 /nfs/dbraw/zinc/17/22/66/172172266.db2.gz UCNPVXWXNHUZIF-LBPRGKRZSA-N 2 1 238.335 0.059 20 0 BCADMP CCn1cc(C[NH2+]C[C@@]2(O)CCN(C)C2)cn1 ZINC000358171572 172172269 /nfs/dbraw/zinc/17/22/69/172172269.db2.gz UCNPVXWXNHUZIF-LBPRGKRZSA-N 2 1 238.335 0.059 20 0 BCADMP CN(C(=O)C(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000336598377 172295362 /nfs/dbraw/zinc/29/53/62/172295362.db2.gz RIKZEWQJLDNUKS-JTQLQIEISA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000094647349 487624635 /nfs/dbraw/zinc/62/46/35/487624635.db2.gz RYJLOFNCVMQKGF-SRVKXCTJSA-N 2 1 239.363 0.442 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594483 172358357 /nfs/dbraw/zinc/35/83/57/172358357.db2.gz IQDFVXJZJMQGDJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309395290 172359126 /nfs/dbraw/zinc/35/91/26/172359126.db2.gz STSRGIOOJSEEJT-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000132292970 172386232 /nfs/dbraw/zinc/38/62/32/172386232.db2.gz IKSSAOMYAHZBSI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000132292970 172386233 /nfs/dbraw/zinc/38/62/33/172386233.db2.gz IKSSAOMYAHZBSI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000132293361 172386823 /nfs/dbraw/zinc/38/68/23/172386823.db2.gz KIVFNQBQMZKCLD-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000363058359 172396389 /nfs/dbraw/zinc/39/63/89/172396389.db2.gz NRUZRYVIUKROFN-FUEXJSSKSA-N 2 1 237.347 0.411 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CC(C)(C)C1 ZINC000336654809 172482816 /nfs/dbraw/zinc/48/28/16/172482816.db2.gz NAIHKIPHNFSNLZ-JTQLQIEISA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+]1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000020217824 173012554 /nfs/dbraw/zinc/01/25/54/173012554.db2.gz JXKHAOVBDKLMKK-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000246866909 173014289 /nfs/dbraw/zinc/01/42/89/173014289.db2.gz JHTPKFYUIGVNHV-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000305660807 173027148 /nfs/dbraw/zinc/02/71/48/173027148.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000305660807 173027149 /nfs/dbraw/zinc/02/71/49/173027149.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000305660807 173027150 /nfs/dbraw/zinc/02/71/50/173027150.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261588 173033848 /nfs/dbraw/zinc/03/38/48/173033848.db2.gz AWGADRZJBCYAAS-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+](CCn1cncn1)C[C@H]1CCC[NH+](C)C1 ZINC000336700578 173042243 /nfs/dbraw/zinc/04/22/43/173042243.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP C[N@@H+](CCn1cncn1)C[C@H]1CCC[NH+](C)C1 ZINC000336700578 173042245 /nfs/dbraw/zinc/04/22/45/173042245.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP C[NH+](CCn1cncn1)C[C@H]1CCC[N@H+](C)C1 ZINC000336700578 173042248 /nfs/dbraw/zinc/04/22/48/173042248.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP C[NH+](CCn1cncn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336700578 173042251 /nfs/dbraw/zinc/04/22/51/173042251.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171180 173043476 /nfs/dbraw/zinc/04/34/76/173043476.db2.gz SADCWKMZYUOLLO-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673645 173044525 /nfs/dbraw/zinc/04/45/25/173044525.db2.gz MOPWEKGNEWQRKR-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394580 173053024 /nfs/dbraw/zinc/05/30/24/173053024.db2.gz GRPKGLUGWSUJST-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000232228647 173057248 /nfs/dbraw/zinc/05/72/48/173057248.db2.gz SSBUTFQFLWPDJW-VIFPVBQESA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000232228647 173057250 /nfs/dbraw/zinc/05/72/50/173057250.db2.gz SSBUTFQFLWPDJW-VIFPVBQESA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000129082182 173058841 /nfs/dbraw/zinc/05/88/41/173058841.db2.gz OEALRTFTRUVKTM-JQWIXIFHSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000357629235 173066139 /nfs/dbraw/zinc/06/61/39/173066139.db2.gz DTDZTGDRDGWFSN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000357629235 173066141 /nfs/dbraw/zinc/06/61/41/173066141.db2.gz DTDZTGDRDGWFSN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338235680 173067889 /nfs/dbraw/zinc/06/78/89/173067889.db2.gz QOZFXROUQYUYSL-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338235680 173067891 /nfs/dbraw/zinc/06/78/91/173067891.db2.gz QOZFXROUQYUYSL-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062851702 173070506 /nfs/dbraw/zinc/07/05/06/173070506.db2.gz HDIJTGHQLUWZHZ-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC3OCCO3)[C@H]2C1 ZINC000375249570 173130217 /nfs/dbraw/zinc/13/02/17/173130217.db2.gz QCAXEJIQHOSECW-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC3OCCO3)[C@H]2C1 ZINC000375249570 173130220 /nfs/dbraw/zinc/13/02/20/173130220.db2.gz QCAXEJIQHOSECW-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC3OCCO3)[C@H]2C1 ZINC000375249570 173130221 /nfs/dbraw/zinc/13/02/21/173130221.db2.gz QCAXEJIQHOSECW-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC3OCCO3)[C@H]2C1 ZINC000375249570 173130223 /nfs/dbraw/zinc/13/02/23/173130223.db2.gz QCAXEJIQHOSECW-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000336756429 173138351 /nfs/dbraw/zinc/13/83/51/173138351.db2.gz HANIANQPSFWIRM-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000336756429 173138355 /nfs/dbraw/zinc/13/83/55/173138355.db2.gz HANIANQPSFWIRM-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCSC2)C1 ZINC000307416560 173139175 /nfs/dbraw/zinc/13/91/75/173139175.db2.gz KMUKPDPVDAWBLY-NXEZZACHSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCSC2)C1 ZINC000307416560 173139177 /nfs/dbraw/zinc/13/91/77/173139177.db2.gz KMUKPDPVDAWBLY-NXEZZACHSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccsc2)C1 ZINC000336771072 173139792 /nfs/dbraw/zinc/13/97/92/173139792.db2.gz WHQNBZVSSBRNOQ-LLVKDONJSA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccsc2)C1 ZINC000336771072 173139796 /nfs/dbraw/zinc/13/97/96/173139796.db2.gz WHQNBZVSSBRNOQ-LLVKDONJSA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062855961 173145397 /nfs/dbraw/zinc/14/53/97/173145397.db2.gz GLLMLBMRASTLMW-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037484882 173145883 /nfs/dbraw/zinc/14/58/83/173145883.db2.gz QJVHVQVYVNJXBH-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308932554 173165231 /nfs/dbraw/zinc/16/52/31/173165231.db2.gz JXFIIESVSAOLKL-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308932554 173165233 /nfs/dbraw/zinc/16/52/33/173165233.db2.gz JXFIIESVSAOLKL-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000307049495 173166162 /nfs/dbraw/zinc/16/61/62/173166162.db2.gz CTIZELNWQGIVBJ-ZDUSSCGKSA-N 2 1 220.316 0.843 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000307049495 173166164 /nfs/dbraw/zinc/16/61/64/173166164.db2.gz CTIZELNWQGIVBJ-ZDUSSCGKSA-N 2 1 220.316 0.843 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000358020748 173241887 /nfs/dbraw/zinc/24/18/87/173241887.db2.gz GKBYVCNXYMEWBU-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000359081200 173280448 /nfs/dbraw/zinc/28/04/48/173280448.db2.gz JCYOHYBIHPVQJQ-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000336759466 173280572 /nfs/dbraw/zinc/28/05/72/173280572.db2.gz JAOBQZNRAWMQRJ-LLVKDONJSA-N 2 1 229.368 0.831 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336761114 173282761 /nfs/dbraw/zinc/28/27/61/173282761.db2.gz KGJFXHLLVQCTEM-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336761114 173282762 /nfs/dbraw/zinc/28/27/62/173282762.db2.gz KGJFXHLLVQCTEM-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336761116 173282981 /nfs/dbraw/zinc/28/29/81/173282981.db2.gz KGJFXHLLVQCTEM-VWYCJHECSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336761116 173282982 /nfs/dbraw/zinc/28/29/82/173282982.db2.gz KGJFXHLLVQCTEM-VWYCJHECSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000341865021 173296834 /nfs/dbraw/zinc/29/68/34/173296834.db2.gz DBPPLBNOBZZWDS-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000179193227 173307221 /nfs/dbraw/zinc/30/72/21/173307221.db2.gz QPTOOISTRFZWQE-SNVBAGLBSA-N 2 1 222.292 0.094 20 0 BCADMP C[NH2+]C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000226420943 173323400 /nfs/dbraw/zinc/32/34/00/173323400.db2.gz SMJSAVCQWLJWEQ-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371263362 173326531 /nfs/dbraw/zinc/32/65/31/173326531.db2.gz XWAGAMMZCPNGCH-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000019517304 173328891 /nfs/dbraw/zinc/32/88/91/173328891.db2.gz UXBCSSOMFDQRGO-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000377394318 173332745 /nfs/dbraw/zinc/33/27/45/173332745.db2.gz WYNIYWXTFIEDFF-LBPRGKRZSA-N 2 1 233.315 0.509 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377394318 173332746 /nfs/dbraw/zinc/33/27/46/173332746.db2.gz WYNIYWXTFIEDFF-LBPRGKRZSA-N 2 1 233.315 0.509 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000063166138 173338729 /nfs/dbraw/zinc/33/87/29/173338729.db2.gz DUGUBNFBHRQMOG-UHFFFAOYSA-N 2 1 224.308 0.809 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000285752206 173340949 /nfs/dbraw/zinc/34/09/49/173340949.db2.gz JHICUQGQAQTURP-SNVBAGLBSA-N 2 1 238.335 0.553 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000221434355 173341308 /nfs/dbraw/zinc/34/13/08/173341308.db2.gz DJAVFUJTDGOVTR-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCCC(=O)NCCCn1cc[nH+]c1C ZINC000269250491 173343626 /nfs/dbraw/zinc/34/36/26/173343626.db2.gz YBTXCNAOQZIZOM-UHFFFAOYSA-N 2 1 238.335 0.697 20 0 BCADMP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455203 173343788 /nfs/dbraw/zinc/34/37/88/173343788.db2.gz WBRDFRRXMYBHRU-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726833 173344224 /nfs/dbraw/zinc/34/42/24/173344224.db2.gz LLKLYSGJQCKSPJ-SNVBAGLBSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCCN1CCC(C[NH+](C)C)CC1 ZINC000042396272 173346774 /nfs/dbraw/zinc/34/67/74/173346774.db2.gz ALZOHFPTKNFRRU-UHFFFAOYSA-N 2 1 213.369 0.870 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000120561992 173352217 /nfs/dbraw/zinc/35/22/17/173352217.db2.gz JEIKNIKOVPYTPW-ZDUSSCGKSA-N 2 1 249.358 0.967 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092133864 173363155 /nfs/dbraw/zinc/36/31/55/173363155.db2.gz VUXIEMUGYLVDPV-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000226420519 173370271 /nfs/dbraw/zinc/37/02/71/173370271.db2.gz VHGPLZAYOBOPHO-LBPRGKRZSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132958658 173375032 /nfs/dbraw/zinc/37/50/32/173375032.db2.gz ZRSYQZAVMJVZQR-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399261 487626468 /nfs/dbraw/zinc/62/64/68/487626468.db2.gz NYGGRWHONFJLEF-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309940044 174260163 /nfs/dbraw/zinc/26/01/63/174260163.db2.gz BJUZXAWZXDUIEL-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309940044 174260166 /nfs/dbraw/zinc/26/01/66/174260166.db2.gz BJUZXAWZXDUIEL-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309042744 174262789 /nfs/dbraw/zinc/26/27/89/174262789.db2.gz MEWRIQGJXGORHA-WDEREUQCSA-N 2 1 218.341 0.314 20 0 BCADMP COCC[NH+](C)C/C=C/C[N@H+](C)CCOC ZINC000122934923 174275576 /nfs/dbraw/zinc/27/55/76/174275576.db2.gz CMUHZLBZPAJTDB-AATRIKPKSA-N 2 1 230.352 0.699 20 0 BCADMP COCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234650363 174278477 /nfs/dbraw/zinc/27/84/77/174278477.db2.gz NXNVPZMDUXONJN-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000360029539 174304923 /nfs/dbraw/zinc/30/49/23/174304923.db2.gz OYFSXXOPNYCNOF-UHFFFAOYSA-N 2 1 244.379 0.848 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070026693 174353942 /nfs/dbraw/zinc/35/39/42/174353942.db2.gz VPBQYZYYLYLHDU-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP COCCOCCN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000377112478 174354506 /nfs/dbraw/zinc/35/45/06/174354506.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234648724 174354767 /nfs/dbraw/zinc/35/47/67/174354767.db2.gz BKEVCXBHZUCKIV-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP COCCOCCN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000377112479 174355194 /nfs/dbraw/zinc/35/51/94/174355194.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[NH3+])C1 ZINC000237399869 176097728 /nfs/dbraw/zinc/09/77/28/176097728.db2.gz AMGRDQSTTCMEAS-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237540205 176097884 /nfs/dbraw/zinc/09/78/84/176097884.db2.gz RJWZCSDWSCFEJG-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643386 176167830 /nfs/dbraw/zinc/16/78/30/176167830.db2.gz YIOAISQEVXRNIV-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643386 176167831 /nfs/dbraw/zinc/16/78/31/176167831.db2.gz YIOAISQEVXRNIV-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000127158832 176187482 /nfs/dbraw/zinc/18/74/82/176187482.db2.gz SJBLJAHBVNDXMC-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000336756694 176233539 /nfs/dbraw/zinc/23/35/39/176233539.db2.gz JOFXAEZOUQLNDW-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000336756694 176233540 /nfs/dbraw/zinc/23/35/40/176233540.db2.gz JOFXAEZOUQLNDW-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H](n2cncn2)C1 ZINC000333283059 176234572 /nfs/dbraw/zinc/23/45/72/176234572.db2.gz MUKFVVWFDNIIFJ-VOAKCMCISA-N 2 1 249.362 0.959 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000358048269 176268406 /nfs/dbraw/zinc/26/84/06/176268406.db2.gz PBLYAQUGGNWJMC-VOAKCMCISA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340420806 176269697 /nfs/dbraw/zinc/26/96/97/176269697.db2.gz ZIRJAKPKAYOLEH-NDBYEHHHSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000309792225 176271205 /nfs/dbraw/zinc/27/12/05/176271205.db2.gz PMYSRILVIDTMFS-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000336757932 176271582 /nfs/dbraw/zinc/27/15/82/176271582.db2.gz ZIEMXAUMDDANJW-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000336757932 176271584 /nfs/dbraw/zinc/27/15/84/176271584.db2.gz ZIEMXAUMDDANJW-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498295 176271758 /nfs/dbraw/zinc/27/17/58/176271758.db2.gz LLIMYRNIYVSNCS-MXWKQRLJSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+](C)C ZINC000362357094 176275819 /nfs/dbraw/zinc/27/58/19/176275819.db2.gz DNWZTOFXRNJFJR-GHMZBOCLSA-N 2 1 227.352 0.252 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000362765443 176275833 /nfs/dbraw/zinc/27/58/33/176275833.db2.gz KAFCQAQRXWUMTK-IJLUTSLNSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000362765443 176275834 /nfs/dbraw/zinc/27/58/34/176275834.db2.gz KAFCQAQRXWUMTK-IJLUTSLNSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000362765443 176275835 /nfs/dbraw/zinc/27/58/35/176275835.db2.gz KAFCQAQRXWUMTK-IJLUTSLNSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000362765443 176275836 /nfs/dbraw/zinc/27/58/36/176275836.db2.gz KAFCQAQRXWUMTK-IJLUTSLNSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038060878 176278636 /nfs/dbraw/zinc/27/86/36/176278636.db2.gz KMEHOFPZBWQXGE-LPWJVIDDSA-N 2 1 242.363 0.720 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCCO ZINC000300418630 176279114 /nfs/dbraw/zinc/27/91/14/176279114.db2.gz YFBTWINERVPSMY-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251638292 176323422 /nfs/dbraw/zinc/32/34/22/176323422.db2.gz FTGYNEFEGFUWFR-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000108356881 176326796 /nfs/dbraw/zinc/32/67/96/176326796.db2.gz NQNZHZPFGNXDII-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000108356881 176326798 /nfs/dbraw/zinc/32/67/98/176326798.db2.gz NQNZHZPFGNXDII-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CSCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336671385 176351468 /nfs/dbraw/zinc/35/14/68/176351468.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 2 1 244.404 0.879 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSCN2)CC[N@H+]1C ZINC000132975667 176374123 /nfs/dbraw/zinc/37/41/23/176374123.db2.gz YUYPTIUYMZBORP-UTLUCORTSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000132975667 176374127 /nfs/dbraw/zinc/37/41/27/176374127.db2.gz YUYPTIUYMZBORP-UTLUCORTSA-N 2 1 243.376 0.248 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025244 487633968 /nfs/dbraw/zinc/63/39/68/487633968.db2.gz QSZDKJBDDLBFSC-VXGBXAGGSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025244 487633972 /nfs/dbraw/zinc/63/39/72/487633972.db2.gz QSZDKJBDDLBFSC-VXGBXAGGSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1C ZINC000336653106 176496339 /nfs/dbraw/zinc/49/63/39/176496339.db2.gz LDCIGUFGRNGQDS-YTWAJWBKSA-N 2 1 200.326 0.543 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875780 176755752 /nfs/dbraw/zinc/75/57/52/176755752.db2.gz IUXYTMNLPSZOGO-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336703344 177014504 /nfs/dbraw/zinc/01/45/04/177014504.db2.gz KMEUTIYJLBIVQM-GMXVVIOVSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336703344 177014507 /nfs/dbraw/zinc/01/45/07/177014507.db2.gz KMEUTIYJLBIVQM-GMXVVIOVSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336703344 177014508 /nfs/dbraw/zinc/01/45/08/177014508.db2.gz KMEUTIYJLBIVQM-GMXVVIOVSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336703344 177014510 /nfs/dbraw/zinc/01/45/10/177014510.db2.gz KMEUTIYJLBIVQM-GMXVVIOVSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](c1ccncc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148530 177049791 /nfs/dbraw/zinc/04/97/91/177049791.db2.gz ACIFYFQEYZCSGN-CYBMUJFWSA-N 2 1 248.374 0.980 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000019512864 177074614 /nfs/dbraw/zinc/07/46/14/177074614.db2.gz QNCTYLPLEIVUAZ-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000332006932 177174851 /nfs/dbraw/zinc/17/48/51/177174851.db2.gz PFJDBXVATKZVEO-IUCAKERBSA-N 2 1 221.295 0.558 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000336111976 177186095 /nfs/dbraw/zinc/18/60/95/177186095.db2.gz FBJSUNORZYWVLM-TXEJJXNPSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227425642 177232299 /nfs/dbraw/zinc/23/22/99/177232299.db2.gz WLGHSQBGXLXNMT-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227425642 177232300 /nfs/dbraw/zinc/23/23/00/177232300.db2.gz WLGHSQBGXLXNMT-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH2+]CC1CC1 ZINC000226402510 177232327 /nfs/dbraw/zinc/23/23/27/177232327.db2.gz LKFPRSVZUCNOCP-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]CC1CC1 ZINC000226402510 177232329 /nfs/dbraw/zinc/23/23/29/177232329.db2.gz LKFPRSVZUCNOCP-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000335663459 177232832 /nfs/dbraw/zinc/23/28/32/177232832.db2.gz PYCQIEIAPXJIRZ-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000335663459 177232833 /nfs/dbraw/zinc/23/28/33/177232833.db2.gz PYCQIEIAPXJIRZ-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390423 177234680 /nfs/dbraw/zinc/23/46/80/177234680.db2.gz SMNAERXXTSQEFF-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH+](C)C ZINC000362357097 177237053 /nfs/dbraw/zinc/23/70/53/177237053.db2.gz DNWZTOFXRNJFJR-WDEREUQCSA-N 2 1 227.352 0.252 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605721 177237689 /nfs/dbraw/zinc/23/76/89/177237689.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 3 1 223.364 0.788 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331821202 177242666 /nfs/dbraw/zinc/24/26/66/177242666.db2.gz ZGUDSWHAQZDEOW-IQJOONFLSA-N 2 1 240.351 0.116 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410373 177279633 /nfs/dbraw/zinc/27/96/33/177279633.db2.gz NWPSSCNPVYZVNX-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000108356869 177284295 /nfs/dbraw/zinc/28/42/95/177284295.db2.gz DMIXMQCSUZVZQA-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000108356869 177284296 /nfs/dbraw/zinc/28/42/96/177284296.db2.gz DMIXMQCSUZVZQA-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000235691418 177308761 /nfs/dbraw/zinc/30/87/61/177308761.db2.gz UXSQQRRNTQTCGT-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[NH3+])C1 ZINC000237637389 177313084 /nfs/dbraw/zinc/31/30/84/177313084.db2.gz HYARGWQAQNKOSB-TXEJJXNPSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000332191340 177323840 /nfs/dbraw/zinc/32/38/40/177323840.db2.gz ZIMRGRZSXDALNV-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000332191340 177323842 /nfs/dbraw/zinc/32/38/42/177323842.db2.gz ZIMRGRZSXDALNV-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1C ZINC000126777402 177324269 /nfs/dbraw/zinc/32/42/69/177324269.db2.gz LZAILBQJFMQUNY-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1C ZINC000126777402 177324271 /nfs/dbraw/zinc/32/42/71/177324271.db2.gz LZAILBQJFMQUNY-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131745224 177324929 /nfs/dbraw/zinc/32/49/29/177324929.db2.gz YEHVNTFGBDBODS-JQWIXIFHSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1cccn1 ZINC000122318045 177324959 /nfs/dbraw/zinc/32/49/59/177324959.db2.gz DQHHNKDWTQQFOA-QWRGUYRKSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000132923660 177328672 /nfs/dbraw/zinc/32/86/72/177328672.db2.gz GWTDEJXCYCNVQR-IUCAKERBSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722203 177361243 /nfs/dbraw/zinc/36/12/43/177361243.db2.gz DXISTHWBVWGFHC-CMPLNLGQSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCn1cccn1 ZINC000122317666 177361256 /nfs/dbraw/zinc/36/12/56/177361256.db2.gz DQHHNKDWTQQFOA-WDEREUQCSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000122355328 177361764 /nfs/dbraw/zinc/36/17/64/177361764.db2.gz JXSPLVRVMIBAHT-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)C1CC1 ZINC000122355328 177361766 /nfs/dbraw/zinc/36/17/66/177361766.db2.gz JXSPLVRVMIBAHT-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)CC[N@H+]1C ZINC000336724643 177369058 /nfs/dbraw/zinc/36/90/58/177369058.db2.gz USGLFFNXSZESFI-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCN2CCC2)CCN1C ZINC000309098291 177369149 /nfs/dbraw/zinc/36/91/49/177369149.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCn2cccn2)CC[N@H+]1C ZINC000128006743 177369983 /nfs/dbraw/zinc/36/99/83/177369983.db2.gz KVBPCEXVAZSMFN-NWDGAFQWSA-N 2 1 222.336 0.955 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1C ZINC000226011883 487646177 /nfs/dbraw/zinc/64/61/77/487646177.db2.gz MOMQOJJWXBHRNB-UPJWGTAASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+]1C ZINC000226011883 487646185 /nfs/dbraw/zinc/64/61/85/487646185.db2.gz MOMQOJJWXBHRNB-UPJWGTAASA-N 2 1 241.379 0.437 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000493824467 226255805 /nfs/dbraw/zinc/25/58/05/226255805.db2.gz OQURKDODUXEWPJ-RUULKOMLSA-N 2 1 237.347 0.267 20 0 BCADMP COCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400335040 226340986 /nfs/dbraw/zinc/34/09/86/226340986.db2.gz FTLYIYSGZJMVTM-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400508769 226345198 /nfs/dbraw/zinc/34/51/98/226345198.db2.gz KUHLFMOZTBGBTR-UKKRHICBSA-N 2 1 212.337 0.876 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400508768 226345478 /nfs/dbraw/zinc/34/54/78/226345478.db2.gz KUHLFMOZTBGBTR-MMWGEVLESA-N 2 1 212.337 0.876 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000668328958 487652376 /nfs/dbraw/zinc/65/23/76/487652376.db2.gz LCRCYZRCIGJONU-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000668328958 487652378 /nfs/dbraw/zinc/65/23/78/487652378.db2.gz LCRCYZRCIGJONU-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000383660673 487658893 /nfs/dbraw/zinc/65/88/93/487658893.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000383660673 487658897 /nfs/dbraw/zinc/65/88/97/487658897.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000383660673 487658898 /nfs/dbraw/zinc/65/88/98/487658898.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000383660673 487658902 /nfs/dbraw/zinc/65/89/02/487658902.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557481913 322938079 /nfs/dbraw/zinc/93/80/79/322938079.db2.gz RTAIQAXCZZKXMA-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000226271867 487700336 /nfs/dbraw/zinc/70/03/36/487700336.db2.gz OPJPOVPPFLZNFQ-BJDJZHNGSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000226271867 487700343 /nfs/dbraw/zinc/70/03/43/487700343.db2.gz OPJPOVPPFLZNFQ-BJDJZHNGSA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402965 487704175 /nfs/dbraw/zinc/70/41/75/487704175.db2.gz CBAXWCNDVXTAFB-GHMZBOCLSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403086 487705071 /nfs/dbraw/zinc/70/50/71/487705071.db2.gz IOYWLTYRCUBERF-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403339 487705265 /nfs/dbraw/zinc/70/52/65/487705265.db2.gz VZEUACGBKRUULL-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403142 487705834 /nfs/dbraw/zinc/70/58/34/487705834.db2.gz LNNXRIFHCDYQRB-QWRGUYRKSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403335 487706257 /nfs/dbraw/zinc/70/62/57/487706257.db2.gz VULWCJYQIAMKDV-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000674245421 487718848 /nfs/dbraw/zinc/71/88/48/487718848.db2.gz LXOWVDAJGQIWSH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394854 487731012 /nfs/dbraw/zinc/73/10/12/487731012.db2.gz OMAQPIRELJUROM-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000082772399 487731346 /nfs/dbraw/zinc/73/13/46/487731346.db2.gz CFMAJKZJIARGCS-VIFPVBQESA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403947 487734792 /nfs/dbraw/zinc/73/47/92/487734792.db2.gz SIHOOBDCXLALAL-GUBZILKMSA-N 2 1 213.325 0.323 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357412278 487766852 /nfs/dbraw/zinc/76/68/52/487766852.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357412278 487766856 /nfs/dbraw/zinc/76/68/56/487766856.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357412278 487766860 /nfs/dbraw/zinc/76/68/60/487766860.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251575519 487771028 /nfs/dbraw/zinc/77/10/28/487771028.db2.gz CBKCRSIISMFUFC-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251575519 487771031 /nfs/dbraw/zinc/77/10/31/487771031.db2.gz CBKCRSIISMFUFC-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251605991 487775657 /nfs/dbraw/zinc/77/56/57/487775657.db2.gz DISSRFNRXALVJF-HOSYDEDBSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251605991 487775663 /nfs/dbraw/zinc/77/56/63/487775663.db2.gz DISSRFNRXALVJF-HOSYDEDBSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000300355301 487776788 /nfs/dbraw/zinc/77/67/88/487776788.db2.gz HKPWMHUNBGWCML-JQWIXIFHSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000300355301 487776793 /nfs/dbraw/zinc/77/67/93/487776793.db2.gz HKPWMHUNBGWCML-JQWIXIFHSA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251805990 487800239 /nfs/dbraw/zinc/80/02/39/487800239.db2.gz OINJYCLZCVBJOR-OPRDCNLKSA-N 2 1 213.325 0.310 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251805990 487800246 /nfs/dbraw/zinc/80/02/46/487800246.db2.gz OINJYCLZCVBJOR-OPRDCNLKSA-N 2 1 213.325 0.310 20 0 BCADMP C[N@@H+](CCC[NH3+])CC(C)(C)CN1CCOCC1 ZINC000414704089 487819468 /nfs/dbraw/zinc/81/94/68/487819468.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 2 1 243.395 0.625 20 0 BCADMP CN(CCC[NH3+])CC(C)(C)C[NH+]1CCOCC1 ZINC000414704089 487819476 /nfs/dbraw/zinc/81/94/76/487819476.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 2 1 243.395 0.625 20 0 BCADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414745106 487821674 /nfs/dbraw/zinc/82/16/74/487821674.db2.gz PBALKYKNSPEJLI-MXWKQRLJSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414745105 487822215 /nfs/dbraw/zinc/82/22/15/487822215.db2.gz PBALKYKNSPEJLI-GMTAPVOTSA-N 2 1 200.326 0.817 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000252714804 487830858 /nfs/dbraw/zinc/83/08/58/487830858.db2.gz SZHOSNJOPBWCLC-QJPTWQEYSA-N 2 1 237.347 0.481 20 0 BCADMP [NH3+]CCC[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414959132 487831472 /nfs/dbraw/zinc/83/14/72/487831472.db2.gz RVQGFVBCUSFJON-CYBMUJFWSA-N 2 1 219.332 0.812 20 0 BCADMP [NH3+]CCC[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414959135 487831488 /nfs/dbraw/zinc/83/14/88/487831488.db2.gz RVQGFVBCUSFJON-ZDUSSCGKSA-N 2 1 219.332 0.812 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252799737 487834534 /nfs/dbraw/zinc/83/45/34/487834534.db2.gz TXMFKVOEKPZTEA-CHWSQXEVSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)nc1 ZINC000156598369 487837533 /nfs/dbraw/zinc/83/75/33/487837533.db2.gz KLSVZKSHELSGTC-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP CCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041664 588448172 /nfs/dbraw/zinc/44/81/72/588448172.db2.gz VDDZTGYSIRKSKV-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(N)=O)C1 ZINC000866706638 589514848 /nfs/dbraw/zinc/51/48/48/589514848.db2.gz JDTQCENDHQIUHK-LLVKDONJSA-N 2 1 213.325 0.169 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000666627545 487848217 /nfs/dbraw/zinc/84/82/17/487848217.db2.gz ATDONKSHOXSSBJ-SNVBAGLBSA-N 2 1 208.309 0.938 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000253124674 487854882 /nfs/dbraw/zinc/85/48/82/487854882.db2.gz PTDTZWZNGCRXLA-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000253124674 487854889 /nfs/dbraw/zinc/85/48/89/487854889.db2.gz PTDTZWZNGCRXLA-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681789166 487862290 /nfs/dbraw/zinc/86/22/90/487862290.db2.gz LAQCULOMASHCII-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224907657 487868997 /nfs/dbraw/zinc/86/89/97/487868997.db2.gz YHRGXKDFFOLXKL-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000403808059 487891415 /nfs/dbraw/zinc/89/14/15/487891415.db2.gz JYQQVZXUPITFHU-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000403808058 487891514 /nfs/dbraw/zinc/89/15/14/487891514.db2.gz JYQQVZXUPITFHU-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP FC1(F)CC(CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925672324 646402984 /nfs/dbraw/zinc/40/29/84/646402984.db2.gz HIPBEMZQWFAEFH-VIFPVBQESA-N 2 1 220.263 0.610 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000569605690 322972518 /nfs/dbraw/zinc/97/25/18/322972518.db2.gz PFENRCJMIBRCSD-NOOOWODRSA-N 3 1 211.353 0.986 20 0 BCADMP CCN(C)C(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000130136478 323010336 /nfs/dbraw/zinc/01/03/36/323010336.db2.gz ZCQIPIOROYSMPE-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853724 323019202 /nfs/dbraw/zinc/01/92/02/323019202.db2.gz RYWYSAVSDYUVJJ-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000163419688 323036748 /nfs/dbraw/zinc/03/67/48/323036748.db2.gz PGSRAXIWUXSQMS-WDEREUQCSA-N 2 1 223.320 0.941 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000569723616 323038791 /nfs/dbraw/zinc/03/87/91/323038791.db2.gz GACMCZWXHHHPFL-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000569723616 323038792 /nfs/dbraw/zinc/03/87/92/323038792.db2.gz GACMCZWXHHHPFL-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1CN(CC[NH2+][C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046096 323048384 /nfs/dbraw/zinc/04/83/84/323048384.db2.gz QTNKTEZTUJOPAG-AAEUAGOBSA-N 2 1 241.379 0.424 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000570225317 323053659 /nfs/dbraw/zinc/05/36/59/323053659.db2.gz NLYXDFJJUHJRFW-WDEREUQCSA-N 2 1 227.352 0.393 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000570225317 323053660 /nfs/dbraw/zinc/05/36/60/323053660.db2.gz NLYXDFJJUHJRFW-WDEREUQCSA-N 2 1 227.352 0.393 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000570820708 323071574 /nfs/dbraw/zinc/07/15/74/323071574.db2.gz UWFCPRARMPBWCR-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000570840800 323072312 /nfs/dbraw/zinc/07/23/12/323072312.db2.gz IQAKMCPLHGMOEH-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP [NH3+]Cc1nc(CSCC2CC[NH2+]CC2)no1 ZINC000563078485 323087422 /nfs/dbraw/zinc/08/74/22/323087422.db2.gz BPKIVYSEWPDDOT-UHFFFAOYSA-N 2 1 242.348 0.761 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563200963 323101425 /nfs/dbraw/zinc/10/14/25/323101425.db2.gz CTLQCRFRBCRIJB-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000563209036 323101970 /nfs/dbraw/zinc/10/19/70/323101970.db2.gz LBOZZGDERLQWAJ-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000571058034 323106195 /nfs/dbraw/zinc/10/61/95/323106195.db2.gz KPGKRGGBUKXLOR-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624378 323109326 /nfs/dbraw/zinc/10/93/26/323109326.db2.gz QNVKRXAFSLDOOI-NWDGAFQWSA-N 2 1 241.379 0.816 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309963880 323122652 /nfs/dbraw/zinc/12/26/52/323122652.db2.gz MPESRQUVRXMVRP-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000563535220 323129510 /nfs/dbraw/zinc/12/95/10/323129510.db2.gz PCBRCCUDEWIVCB-LLVKDONJSA-N 2 1 231.315 0.146 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000310401866 323130891 /nfs/dbraw/zinc/13/08/91/323130891.db2.gz NHTWAPDLBJGXGA-CYZMBNFOSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000310401866 323130892 /nfs/dbraw/zinc/13/08/92/323130892.db2.gz NHTWAPDLBJGXGA-CYZMBNFOSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](CCOC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000563622592 323132014 /nfs/dbraw/zinc/13/20/14/323132014.db2.gz JZGBFBWYLVWRQH-ZDUSSCGKSA-N 2 1 242.363 0.866 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132355 /nfs/dbraw/zinc/13/23/55/323132355.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000310499951 323132430 /nfs/dbraw/zinc/13/24/30/323132430.db2.gz HQGZBHOSJQTTQH-OLZOCXBDSA-N 2 1 246.395 0.950 20 0 BCADMP CCOC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000310499951 323132431 /nfs/dbraw/zinc/13/24/31/323132431.db2.gz HQGZBHOSJQTTQH-OLZOCXBDSA-N 2 1 246.395 0.950 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635888 323132835 /nfs/dbraw/zinc/13/28/35/323132835.db2.gz MCLLDIDUOPKOKU-VXGBXAGGSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C ZINC000571401967 323143634 /nfs/dbraw/zinc/14/36/34/323143634.db2.gz CMHDVRFFDQYHHM-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CC[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000531959095 323157895 /nfs/dbraw/zinc/15/78/95/323157895.db2.gz OWWZPLGVRJUMPL-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)CC[N@H+]1C ZINC000530222437 323218363 /nfs/dbraw/zinc/21/83/63/323218363.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)CC[N@H+]1C ZINC000530222438 323218500 /nfs/dbraw/zinc/21/85/00/323218500.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 2 1 227.352 0.047 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[NH2+]C1CC1 ZINC000309193655 323326892 /nfs/dbraw/zinc/32/68/92/323326892.db2.gz JKGWHVOUUUWCBL-UHFFFAOYSA-N 2 1 222.292 0.060 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000309416159 323395035 /nfs/dbraw/zinc/39/50/35/323395035.db2.gz XHYFGQXQVATDMR-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000309416159 323395041 /nfs/dbraw/zinc/39/50/41/323395041.db2.gz XHYFGQXQVATDMR-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000309416159 323395043 /nfs/dbraw/zinc/39/50/43/323395043.db2.gz XHYFGQXQVATDMR-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000309416159 323395046 /nfs/dbraw/zinc/39/50/46/323395046.db2.gz XHYFGQXQVATDMR-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC(F)(F)C[NH3+] ZINC000309506664 323419734 /nfs/dbraw/zinc/41/97/34/323419734.db2.gz WCMMRGBBNJOUNQ-UHFFFAOYSA-N 2 1 223.267 0.085 20 0 BCADMP C[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C[C@@H]1C[NH3+] ZINC000571935992 323505397 /nfs/dbraw/zinc/50/53/97/323505397.db2.gz RNWMMUIDTSNCPS-IUCAKERBSA-N 2 1 249.305 0.414 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121318408 324011616 /nfs/dbraw/zinc/01/16/16/324011616.db2.gz KZBUNNCWHGWCDJ-GRYCIOLGSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+]CCC[N@@H+](C)CCOC ZINC000572511827 324137482 /nfs/dbraw/zinc/13/74/82/324137482.db2.gz UQBYSTDWSNTNLW-NSHDSACASA-N 2 1 218.341 0.315 20 0 BCADMP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000400356295 324166794 /nfs/dbraw/zinc/16/67/94/324166794.db2.gz APNKZGOWMWJQEZ-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000152560284 324186149 /nfs/dbraw/zinc/18/61/49/324186149.db2.gz RISHUZJAIBXBPG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000152560284 324186153 /nfs/dbraw/zinc/18/61/53/324186153.db2.gz RISHUZJAIBXBPG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000152560284 324186156 /nfs/dbraw/zinc/18/61/56/324186156.db2.gz RISHUZJAIBXBPG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158530323 487963806 /nfs/dbraw/zinc/96/38/06/487963806.db2.gz KGCRAVLVHMHPOU-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913243 487965504 /nfs/dbraw/zinc/96/55/04/487965504.db2.gz QXJFTMWBRFWATI-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000158550628 487965738 /nfs/dbraw/zinc/96/57/38/487965738.db2.gz NHOBNWLZICSKHF-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669477902 487966789 /nfs/dbraw/zinc/96/67/89/487966789.db2.gz GNVPWEDJWQFTMW-WAYWQWQTSA-N 2 1 242.367 0.532 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000131472807 325155171 /nfs/dbraw/zinc/15/51/71/325155171.db2.gz PVCNJQXQXMUPHT-LLVKDONJSA-N 2 1 229.368 0.783 20 0 BCADMP CC[NH+](CC)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000073988519 325221859 /nfs/dbraw/zinc/22/18/59/325221859.db2.gz KSKGLUQHYORWCG-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911674 325252666 /nfs/dbraw/zinc/25/26/66/325252666.db2.gz STCNJOBUEJXWHN-WOPDTQHZSA-N 2 1 237.347 0.339 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC[NH+](C)C)C1CC1 ZINC000133583648 325302144 /nfs/dbraw/zinc/30/21/44/325302144.db2.gz VBDDVBCYNCXYSQ-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+]1CCN(C(=O)Cc2cncn2C)CC1 ZINC000547603245 325373613 /nfs/dbraw/zinc/37/36/13/325373613.db2.gz WROADNZDRPTVDJ-UHFFFAOYSA-N 2 1 236.319 0.127 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000134995785 325387192 /nfs/dbraw/zinc/38/71/92/325387192.db2.gz DYQCUPBWWVQKNT-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP [NH3+]CCCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000566010570 325983878 /nfs/dbraw/zinc/98/38/78/325983878.db2.gz JJWQEJLFCVHNDA-QMMMGPOBSA-N 2 1 235.278 0.181 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000566206429 326006109 /nfs/dbraw/zinc/00/61/09/326006109.db2.gz KILIKXWBTUKCNF-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](Cc1nc(C[NH3+])no1)C1CC[NH2+]CC1 ZINC000566214838 326015840 /nfs/dbraw/zinc/01/58/40/326015840.db2.gz BZSMDOSDXDYASQ-MRVPVSSYSA-N 2 1 224.308 0.707 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000566296314 326030273 /nfs/dbraw/zinc/03/02/73/326030273.db2.gz FJXUWACBEGVDDK-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCn1cncn1 ZINC000566302779 326031157 /nfs/dbraw/zinc/03/11/57/326031157.db2.gz XPFXQLIUJPBPAD-VIFPVBQESA-N 2 1 211.313 0.241 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@H]1[NH3+] ZINC000566404933 326040070 /nfs/dbraw/zinc/04/00/70/326040070.db2.gz RVRBIYYADUXTOH-HTQZYQBOSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412292 326040971 /nfs/dbraw/zinc/04/09/71/326040971.db2.gz DWSPMIBWYDANHM-JHJVBQTASA-N 2 1 241.379 0.519 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@@H]1C ZINC000566471706 326050299 /nfs/dbraw/zinc/05/02/99/326050299.db2.gz YGJBIALHCOVBKA-SRVKXCTJSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@H]1C ZINC000566471711 326050848 /nfs/dbraw/zinc/05/08/48/326050848.db2.gz YGJBIALHCOVBKA-WOPDTQHZSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739978 326079051 /nfs/dbraw/zinc/07/90/51/326079051.db2.gz LASWGRCEEFISKT-SVDPJWKOSA-N 2 1 237.347 0.323 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000567159324 326125543 /nfs/dbraw/zinc/12/55/43/326125543.db2.gz GBPQUCCNUZKTFK-OLZOCXBDSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(N)s1 ZINC000309816886 326169581 /nfs/dbraw/zinc/16/95/81/326169581.db2.gz VKTQRAOGENWASG-YUMQZZPRSA-N 2 1 226.349 0.894 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000310410437 326192061 /nfs/dbraw/zinc/19/20/61/326192061.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000310410437 326192063 /nfs/dbraw/zinc/19/20/63/326192063.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000310410437 326192064 /nfs/dbraw/zinc/19/20/64/326192064.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000567613698 326229475 /nfs/dbraw/zinc/22/94/75/326229475.db2.gz JKZFIBJCTNAFAP-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000567613698 326229477 /nfs/dbraw/zinc/22/94/77/326229477.db2.gz JKZFIBJCTNAFAP-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000572586664 326251150 /nfs/dbraw/zinc/25/11/50/326251150.db2.gz CZRAKPKQQXXFSK-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000567791325 326259300 /nfs/dbraw/zinc/25/93/00/326259300.db2.gz NUODOYWKTPFSLY-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000567791325 326259302 /nfs/dbraw/zinc/25/93/02/326259302.db2.gz NUODOYWKTPFSLY-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2O)CCCO1 ZINC000313349199 326264145 /nfs/dbraw/zinc/26/41/45/326264145.db2.gz LLPAAIZVDDVYRB-JHJVBQTASA-N 2 1 242.363 0.587 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000567873113 326274405 /nfs/dbraw/zinc/27/44/05/326274405.db2.gz NHTWAPDLBJGXGA-WXHSDQCUSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000567873113 326274407 /nfs/dbraw/zinc/27/44/07/326274407.db2.gz NHTWAPDLBJGXGA-WXHSDQCUSA-N 2 1 242.363 0.192 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567895350 326278509 /nfs/dbraw/zinc/27/85/09/326278509.db2.gz DMEXNWMNHLADKN-MNOVXSKESA-N 2 1 214.309 0.073 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567971577 326289669 /nfs/dbraw/zinc/28/96/69/326289669.db2.gz IZNSAYBDPWLFCE-PHIMTYICSA-N 2 1 236.319 0.435 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000157773959 326295417 /nfs/dbraw/zinc/29/54/17/326295417.db2.gz MQWAQSMXWVGPHU-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248572 326334361 /nfs/dbraw/zinc/33/43/61/326334361.db2.gz VDIBVYJGADDZHJ-KKOKHZNYSA-N 3 1 211.353 0.844 20 0 BCADMP CNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158915061 326345869 /nfs/dbraw/zinc/34/58/69/326345869.db2.gz SJNPXSPUIODELJ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000568499517 326359664 /nfs/dbraw/zinc/35/96/64/326359664.db2.gz KKJXHBNNHPUOGS-WOPDTQHZSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)CC ZINC000568527091 326363289 /nfs/dbraw/zinc/36/32/89/326363289.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)CC ZINC000568527091 326363290 /nfs/dbraw/zinc/36/32/90/326363290.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000568527091 326363291 /nfs/dbraw/zinc/36/32/91/326363291.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000568528826 326363554 /nfs/dbraw/zinc/36/35/54/326363554.db2.gz VFNBDBKFEKWVAZ-LLVKDONJSA-N 2 1 232.368 0.249 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000568528826 326363556 /nfs/dbraw/zinc/36/35/56/326363556.db2.gz VFNBDBKFEKWVAZ-LLVKDONJSA-N 2 1 232.368 0.249 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)CO ZINC000568528826 326363558 /nfs/dbraw/zinc/36/35/58/326363558.db2.gz VFNBDBKFEKWVAZ-LLVKDONJSA-N 2 1 232.368 0.249 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000568528826 326363561 /nfs/dbraw/zinc/36/35/61/326363561.db2.gz VFNBDBKFEKWVAZ-LLVKDONJSA-N 2 1 232.368 0.249 20 0 BCADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](CC)CC ZINC000568673937 326372285 /nfs/dbraw/zinc/37/22/85/326372285.db2.gz QBINOPLHMJNDKI-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](CC)CC ZINC000568673937 326372287 /nfs/dbraw/zinc/37/22/87/326372287.db2.gz QBINOPLHMJNDKI-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000568982429 326384557 /nfs/dbraw/zinc/38/45/57/326384557.db2.gz XYVMNQDFSIFQBP-RQJHMYQMSA-N 2 1 238.282 0.005 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000569105956 326390440 /nfs/dbraw/zinc/39/04/40/326390440.db2.gz DFWHCWPBYBRLAT-MMWGEVLESA-N 2 1 225.336 0.323 20 0 BCADMP C[N@H+](CCC[NH3+])Cc1cc(=O)n2ccccc2n1 ZINC000123335526 487990299 /nfs/dbraw/zinc/99/02/99/487990299.db2.gz WCIJSUVHFSYMEB-UHFFFAOYSA-N 2 1 246.314 0.475 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1cc(=O)n2ccccc2n1 ZINC000123335526 487990306 /nfs/dbraw/zinc/99/03/06/487990306.db2.gz WCIJSUVHFSYMEB-UHFFFAOYSA-N 2 1 246.314 0.475 20 0 BCADMP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC(=O)N1 ZINC000400929206 487994514 /nfs/dbraw/zinc/99/45/14/487994514.db2.gz NHGBFYOQYRKGAG-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC(=O)N1 ZINC000400929206 487994522 /nfs/dbraw/zinc/99/45/22/487994522.db2.gz NHGBFYOQYRKGAG-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000235697163 488006148 /nfs/dbraw/zinc/00/61/48/488006148.db2.gz APNKWUYXRZBRED-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000147430390 488019633 /nfs/dbraw/zinc/01/96/33/488019633.db2.gz DTDSHGXQDVSXRB-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP Cc1noc(C)c1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000677375268 488026082 /nfs/dbraw/zinc/02/60/82/488026082.db2.gz MJNSWUUITJUGJX-VXGBXAGGSA-N 2 1 235.331 0.985 20 0 BCADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000677375265 488026093 /nfs/dbraw/zinc/02/60/93/488026093.db2.gz MJNSWUUITJUGJX-RYUDHWBXSA-N 2 1 235.331 0.985 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000235935610 488032016 /nfs/dbraw/zinc/03/20/16/488032016.db2.gz DYSSSPHVCMFECE-LLVKDONJSA-N 2 1 208.309 0.472 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC000663493927 488043268 /nfs/dbraw/zinc/04/32/68/488043268.db2.gz DUDLJDMNDCDRMH-RGDJUOJXSA-N 3 1 235.375 0.655 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@]34C[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC000663493927 488043270 /nfs/dbraw/zinc/04/32/70/488043270.db2.gz DUDLJDMNDCDRMH-RGDJUOJXSA-N 2 1 235.375 0.655 20 0 BCADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892476 488057319 /nfs/dbraw/zinc/05/73/19/488057319.db2.gz QXSNIULZLOPVJB-AXFHLTTASA-N 2 1 210.321 0.705 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000309215764 488059387 /nfs/dbraw/zinc/05/93/87/488059387.db2.gz FLZTZJPIWIIGAU-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000309215764 488059394 /nfs/dbraw/zinc/05/93/94/488059394.db2.gz FLZTZJPIWIIGAU-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000309215764 488059398 /nfs/dbraw/zinc/05/93/98/488059398.db2.gz FLZTZJPIWIIGAU-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000309215764 488059402 /nfs/dbraw/zinc/05/94/02/488059402.db2.gz FLZTZJPIWIIGAU-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538848 488071017 /nfs/dbraw/zinc/07/10/17/488071017.db2.gz BYXRZXVFZCJYNV-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236649385 488079842 /nfs/dbraw/zinc/07/98/42/488079842.db2.gz YTBXJTVLYQLWQO-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257698328 488082665 /nfs/dbraw/zinc/08/26/65/488082665.db2.gz NNJYCXGRGOTARH-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000257770251 488087905 /nfs/dbraw/zinc/08/79/05/488087905.db2.gz KMQFBXDCJFBXEU-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236862819 488093205 /nfs/dbraw/zinc/09/32/05/488093205.db2.gz ILQMUVYMCQHWCY-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]12CCNC2=O ZINC000653716499 487539772 /nfs/dbraw/zinc/53/97/72/487539772.db2.gz HCJAQWCZOINFDZ-ZDUSSCGKSA-N 2 1 248.330 0.546 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000653716499 487539764 /nfs/dbraw/zinc/53/97/64/487539764.db2.gz HCJAQWCZOINFDZ-ZDUSSCGKSA-N 2 1 248.330 0.546 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000094571454 487544399 /nfs/dbraw/zinc/54/43/99/487544399.db2.gz NFHCQSIVHHEWIH-UHFFFAOYSA-N 2 1 239.319 0.808 20 0 BCADMP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000674283964 487544997 /nfs/dbraw/zinc/54/49/97/487544997.db2.gz JOPFOSMVZPMGFN-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[NH+](C)C ZINC000674286365 487545413 /nfs/dbraw/zinc/54/54/13/487545413.db2.gz VXDYFYRCIWQWMU-JTQLQIEISA-N 2 1 238.335 0.648 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1CCO ZINC000662302275 487546401 /nfs/dbraw/zinc/54/64/01/487546401.db2.gz LRNALSWOWCSAHE-GHMZBOCLSA-N 2 1 200.326 0.818 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674286835 487546809 /nfs/dbraw/zinc/54/68/09/487546809.db2.gz BXJZBGSUGMSTEE-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227153307 487555739 /nfs/dbraw/zinc/55/57/39/487555739.db2.gz VTGTYPJGAXWSJR-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C(C)C)C1 ZINC000037484151 487471570 /nfs/dbraw/zinc/47/15/70/487471570.db2.gz LYRUBGLOQOPVSR-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000167900419 487475190 /nfs/dbraw/zinc/47/51/90/487475190.db2.gz PWVCSINIZIRDFE-JTQLQIEISA-N 2 1 222.336 0.763 20 0 BCADMP CCc1nn(C)cc1C[N@H+](C)CCC[NH3+] ZINC000167902182 487475318 /nfs/dbraw/zinc/47/53/18/487475318.db2.gz FSZBRESRQSMLPG-UHFFFAOYSA-N 2 1 210.325 0.763 20 0 BCADMP CCc1nn(C)cc1C[N@@H+](C)CCC[NH3+] ZINC000167902182 487475321 /nfs/dbraw/zinc/47/53/21/487475321.db2.gz FSZBRESRQSMLPG-UHFFFAOYSA-N 2 1 210.325 0.763 20 0 BCADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000167900297 487475372 /nfs/dbraw/zinc/47/53/72/487475372.db2.gz PWVCSINIZIRDFE-SNVBAGLBSA-N 2 1 222.336 0.763 20 0 BCADMP Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405460043 487484047 /nfs/dbraw/zinc/48/40/47/487484047.db2.gz IPTWMXHLDSDIBN-QWHCGFSZSA-N 2 1 233.315 0.645 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCSCC2)C1 ZINC000657975130 487501613 /nfs/dbraw/zinc/50/16/13/487501613.db2.gz XYTYZKPOOOBAHS-NWDGAFQWSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCSCC2)C1 ZINC000657975130 487501616 /nfs/dbraw/zinc/50/16/16/487501616.db2.gz XYTYZKPOOOBAHS-NWDGAFQWSA-N 2 1 244.404 0.928 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662266623 487503996 /nfs/dbraw/zinc/50/39/96/487503996.db2.gz NREQEQKXPSXYIA-AXFHLTTASA-N 2 1 216.325 0.317 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300400303 487513161 /nfs/dbraw/zinc/51/31/61/487513161.db2.gz WAFCIAGJDXZSOC-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000380016248 488168285 /nfs/dbraw/zinc/16/82/85/488168285.db2.gz LVECXPSMTVOWPE-CHWSQXEVSA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380016248 488168288 /nfs/dbraw/zinc/16/82/88/488168288.db2.gz LVECXPSMTVOWPE-CHWSQXEVSA-N 2 1 246.395 0.780 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420022 487575728 /nfs/dbraw/zinc/57/57/28/487575728.db2.gz CLADLQMREUIFLX-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420022 487575729 /nfs/dbraw/zinc/57/57/29/487575729.db2.gz CLADLQMREUIFLX-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240991 487728480 /nfs/dbraw/zinc/72/84/80/487728480.db2.gz LFCLZMVLVCROBQ-GARJFASQSA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668701716 488136523 /nfs/dbraw/zinc/13/65/23/488136523.db2.gz VCZSEXGURAPKBE-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000677820708 488137566 /nfs/dbraw/zinc/13/75/66/488137566.db2.gz SZLLEYJUJYZDQQ-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000677820708 488137569 /nfs/dbraw/zinc/13/75/69/488137569.db2.gz SZLLEYJUJYZDQQ-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccnn1C ZINC000230775484 488156848 /nfs/dbraw/zinc/15/68/48/488156848.db2.gz SDCQFIXMFUBVLV-GHMZBOCLSA-N 2 1 222.336 0.774 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccnn1C ZINC000230775486 488156936 /nfs/dbraw/zinc/15/69/36/488156936.db2.gz SDCQFIXMFUBVLV-WDEREUQCSA-N 2 1 222.336 0.774 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000380016248 488168282 /nfs/dbraw/zinc/16/82/82/488168282.db2.gz LVECXPSMTVOWPE-CHWSQXEVSA-N 2 1 246.395 0.780 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000677985374 488168515 /nfs/dbraw/zinc/16/85/15/488168515.db2.gz XVTOLKNDYYFCTB-LBPRGKRZSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](O)C1CC1 ZINC000677985374 488168521 /nfs/dbraw/zinc/16/85/21/488168521.db2.gz XVTOLKNDYYFCTB-LBPRGKRZSA-N 2 1 223.320 0.894 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000678040948 488176900 /nfs/dbraw/zinc/17/69/00/488176900.db2.gz VXBJBADNSPFIPJ-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000678040948 488176902 /nfs/dbraw/zinc/17/69/02/488176902.db2.gz VXBJBADNSPFIPJ-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000678040948 488176903 /nfs/dbraw/zinc/17/69/03/488176903.db2.gz VXBJBADNSPFIPJ-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322380577 488182807 /nfs/dbraw/zinc/18/28/07/488182807.db2.gz MZLFWYLLTXOONB-JQYRIEHKSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322830117 488197192 /nfs/dbraw/zinc/19/71/92/488197192.db2.gz GEGJXZVHXZLNKE-UBJLHIIHSA-N 2 1 225.336 0.323 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133613 488213862 /nfs/dbraw/zinc/21/38/62/488213862.db2.gz KBLUYUZISYZUEP-VIFPVBQESA-N 2 1 201.314 0.051 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@@H+](C)C(C)C ZINC000054133652 488214169 /nfs/dbraw/zinc/21/41/69/488214169.db2.gz VQMSYBKJQGOHTF-UHFFFAOYSA-N 2 1 215.341 0.441 20 0 BCADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000673840946 488309440 /nfs/dbraw/zinc/30/94/40/488309440.db2.gz OAXZMEFEUFYMHE-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+]C1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000236203367 490192896 /nfs/dbraw/zinc/19/28/96/490192896.db2.gz WAEQMJVOAXDCFZ-HTAVTVPLSA-N 3 1 211.353 0.988 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000396045091 490353277 /nfs/dbraw/zinc/35/32/77/490353277.db2.gz ZAIQOZKCAVUDBB-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000396045091 490353285 /nfs/dbraw/zinc/35/32/85/490353285.db2.gz ZAIQOZKCAVUDBB-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC000396045091 490353290 /nfs/dbraw/zinc/35/32/90/490353290.db2.gz ZAIQOZKCAVUDBB-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC ZINC000396045091 490353298 /nfs/dbraw/zinc/35/32/98/490353298.db2.gz ZAIQOZKCAVUDBB-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000126761264 490515335 /nfs/dbraw/zinc/51/53/35/490515335.db2.gz JEFUMHINKRSJKI-QWRGUYRKSA-N 2 1 220.320 0.380 20 0 BCADMP c1[nH+]c2c(n1C[C@@H]1C[NH2+]CCO1)CCCC2 ZINC000127329078 490545880 /nfs/dbraw/zinc/54/58/80/490545880.db2.gz ICKIWIWWXHGMNO-JTQLQIEISA-N 2 1 221.304 0.750 20 0 BCADMP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000161608898 490667454 /nfs/dbraw/zinc/66/74/54/490667454.db2.gz DYXBCIODODQUAN-XHNCKOQMSA-N 2 1 229.349 0.035 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CO)C1CC1 ZINC000393774083 490689515 /nfs/dbraw/zinc/68/95/15/490689515.db2.gz JARFFTZWSWRIML-LLVKDONJSA-N 2 1 230.352 0.050 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055210 /nfs/dbraw/zinc/05/52/10/491055210.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 3 1 223.364 0.622 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629531245 491078280 /nfs/dbraw/zinc/07/82/80/491078280.db2.gz FQDIUCCZCQCSOY-ZIAGYGMSSA-N 3 1 249.358 0.957 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629531244 491078309 /nfs/dbraw/zinc/07/83/09/491078309.db2.gz FQDIUCCZCQCSOY-UONOGXRCSA-N 3 1 249.358 0.957 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)C)CC[N@H+]1C ZINC000132209073 491134724 /nfs/dbraw/zinc/13/47/24/491134724.db2.gz MYAGVJIDDSEIBY-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CNCCO2)[C@H]1C ZINC000132422832 491135934 /nfs/dbraw/zinc/13/59/34/491135934.db2.gz ZRXGGYXLDUNPJK-DCAQKATOSA-N 2 1 230.377 0.801 20 0 BCADMP C[C@@H]1SCCN(C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000132422832 491135935 /nfs/dbraw/zinc/13/59/35/491135935.db2.gz ZRXGGYXLDUNPJK-DCAQKATOSA-N 2 1 230.377 0.801 20 0 BCADMP C[C@H]([NH2+]CCn1cccn1)[C@H]1CCC[NH2+]1 ZINC000400386286 533876819 /nfs/dbraw/zinc/87/68/19/533876819.db2.gz LXCJVFZQFMASAX-WDEREUQCSA-N 2 1 208.309 0.613 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000400405700 533896536 /nfs/dbraw/zinc/89/65/36/533896536.db2.gz RRXXLKHXHBZRHQ-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400361655 534078925 /nfs/dbraw/zinc/07/89/25/534078925.db2.gz CGXXISWLLRKCGK-XWLWVQCSSA-N 2 1 232.393 0.829 20 0 BCADMP CN1CC[C@@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071886 536451856 /nfs/dbraw/zinc/45/18/56/536451856.db2.gz SBCSBPHSZMJWIF-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(CC(C)(C)[NH3+])[C@@H]2C1 ZINC000261585450 536463621 /nfs/dbraw/zinc/46/36/21/536463621.db2.gz QJHVIEUNCJXKAU-GHMZBOCLSA-N 2 1 211.353 0.750 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494900325 527817260 /nfs/dbraw/zinc/81/72/60/527817260.db2.gz JBDXAQLFIDTMLL-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494900323 527818924 /nfs/dbraw/zinc/81/89/24/527818924.db2.gz JBDXAQLFIDTMLL-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000493888492 528500512 /nfs/dbraw/zinc/50/05/12/528500512.db2.gz NKFORGRJAUHWLJ-MNOVXSKESA-N 2 1 229.368 0.816 20 0 BCADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC[NH3+])C1 ZINC000496789475 528981444 /nfs/dbraw/zinc/98/14/44/528981444.db2.gz DJVJLKFCMVTJIS-MNOVXSKESA-N 2 1 243.351 0.792 20 0 BCADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC[NH3+])C1 ZINC000496789476 528983375 /nfs/dbraw/zinc/98/33/75/528983375.db2.gz DJVJLKFCMVTJIS-QWRGUYRKSA-N 2 1 243.351 0.792 20 0 BCADMP CON(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000850479841 582920189 /nfs/dbraw/zinc/92/01/89/582920189.db2.gz DGDGCNFOKSFBAU-MNOVXSKESA-N 2 1 215.341 0.552 20 0 BCADMP CC(C)[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178669200 535167549 /nfs/dbraw/zinc/16/75/49/535167549.db2.gz PUZBWFRKMNYSJD-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261953047 535199589 /nfs/dbraw/zinc/19/95/89/535199589.db2.gz OFTGUILSPCPTDX-LBPRGKRZSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000261953047 535199593 /nfs/dbraw/zinc/19/95/93/535199593.db2.gz OFTGUILSPCPTDX-LBPRGKRZSA-N 2 1 225.336 0.326 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000356999285 535246743 /nfs/dbraw/zinc/24/67/43/535246743.db2.gz PLHMAPONWLATQP-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000336041363 535943175 /nfs/dbraw/zinc/94/31/75/535943175.db2.gz KVUNHELKXSTBSP-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000335675451 536063687 /nfs/dbraw/zinc/06/36/87/536063687.db2.gz ANRYJVWTNNMPOG-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C)C1 ZINC000335675451 536063692 /nfs/dbraw/zinc/06/36/92/536063692.db2.gz ANRYJVWTNNMPOG-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](C)C1 ZINC000335675451 536063697 /nfs/dbraw/zinc/06/36/97/536063697.db2.gz ANRYJVWTNNMPOG-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@H]([NH+](C)C)C1 ZINC000347759779 536138648 /nfs/dbraw/zinc/13/86/48/536138648.db2.gz RVOCFQXGXPOKHB-ZDUSSCGKSA-N 2 1 236.363 0.989 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000227609596 536344038 /nfs/dbraw/zinc/34/40/38/536344038.db2.gz BJFYIDMCJBKPGU-MRVPVSSYSA-N 2 1 208.252 0.296 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335972451 536369676 /nfs/dbraw/zinc/36/96/76/536369676.db2.gz VZDWPMXZDWSPMO-GFCCVEGCSA-N 2 1 237.347 0.387 20 0 BCADMP COCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217806480 536515080 /nfs/dbraw/zinc/51/50/80/536515080.db2.gz DPXLNJSONYAWPQ-YNEHKIRRSA-N 2 1 244.379 0.968 20 0 BCADMP COC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261823223 536583495 /nfs/dbraw/zinc/58/34/95/536583495.db2.gz IOUGWVZZMCVUFG-DGCLKSJQSA-N 2 1 242.363 0.722 20 0 BCADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000854221040 588780409 /nfs/dbraw/zinc/78/04/09/588780409.db2.gz FEHORYDWMBUHPK-QWRGUYRKSA-N 2 1 210.321 0.897 20 0 BCADMP CC[C@@H]([NH2+]CCN(C)C(=O)OC)[C@@H]1CCC[NH2+]1 ZINC000854226842 588780455 /nfs/dbraw/zinc/78/04/55/588780455.db2.gz FFHVOYYCDHIOBI-MNOVXSKESA-N 2 1 243.351 0.805 20 0 BCADMP OCc1c[nH+]ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000892000887 582758442 /nfs/dbraw/zinc/75/84/42/582758442.db2.gz WDHQZEVOGRNNMF-NSHDSACASA-N 2 1 233.315 0.644 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892053533 582774868 /nfs/dbraw/zinc/77/48/68/582774868.db2.gz LWLHAKBBIYORGM-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892148251 582802202 /nfs/dbraw/zinc/80/22/02/582802202.db2.gz WLEJZWKPBZRVMW-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1cc(N)nc(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000892288929 582828915 /nfs/dbraw/zinc/82/89/15/582828915.db2.gz YZFBVATVYJMXNI-JTQLQIEISA-N 2 1 235.335 0.898 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000850479840 582920121 /nfs/dbraw/zinc/92/01/21/582920121.db2.gz DGDGCNFOKSFBAU-GHMZBOCLSA-N 2 1 215.341 0.552 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754598 583016682 /nfs/dbraw/zinc/01/66/82/583016682.db2.gz XLWWLVPSJGWOKG-UHFFFAOYSA-N 2 1 223.320 0.466 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754598 583016685 /nfs/dbraw/zinc/01/66/85/583016685.db2.gz XLWWLVPSJGWOKG-UHFFFAOYSA-N 2 1 223.320 0.466 20 0 BCADMP OCc1c[nH+]ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000893264406 583080738 /nfs/dbraw/zinc/08/07/38/583080738.db2.gz CTXLTQQPWJMKQS-NSHDSACASA-N 2 1 244.298 0.619 20 0 BCADMP C[C@H]1C(=O)N(C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893713338 583211267 /nfs/dbraw/zinc/21/12/67/583211267.db2.gz XKMNRHYJSLNIGJ-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CCn1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000857085748 588886314 /nfs/dbraw/zinc/88/63/14/588886314.db2.gz HELHRXRHYVORGK-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP CCn1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000857085748 588886315 /nfs/dbraw/zinc/88/63/15/588886315.db2.gz HELHRXRHYVORGK-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000857229362 588896331 /nfs/dbraw/zinc/89/63/31/588896331.db2.gz QSGRUEXUQCPOHR-VQXHTEKXSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000857231034 588897335 /nfs/dbraw/zinc/89/73/35/588897335.db2.gz SDMNJFXMAJIAHQ-WHXUTIOJSA-N 2 1 225.336 0.147 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](CF)C2)CC1 ZINC000894886878 583546662 /nfs/dbraw/zinc/54/66/62/583546662.db2.gz BYPGOLJMEKPYNO-LBPRGKRZSA-N 2 1 230.327 0.999 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000895799568 583731100 /nfs/dbraw/zinc/73/11/00/583731100.db2.gz UNVBOWWDJZDVEU-LBPRGKRZSA-N 2 1 248.330 0.126 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000896507590 583808248 /nfs/dbraw/zinc/80/82/48/583808248.db2.gz YFPIDXSDHMJBPI-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896821912 583837139 /nfs/dbraw/zinc/83/71/39/583837139.db2.gz XKWQIZPJVXFIQQ-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP CCO[C@H](C[NH2+]CC[C@H]1CCOC1)C[NH+](C)C ZINC000896879746 583844820 /nfs/dbraw/zinc/84/48/20/583844820.db2.gz HALXKHSPRCOLLE-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@H](C)COC)C[NH+](C)C ZINC000896880179 583845442 /nfs/dbraw/zinc/84/54/42/583845442.db2.gz PZRVBSCRRITYSB-RYUDHWBXSA-N 2 1 232.368 0.825 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000897429477 583973159 /nfs/dbraw/zinc/97/31/59/583973159.db2.gz FEPKELZOLIZDEO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897429477 583973160 /nfs/dbraw/zinc/97/31/60/583973160.db2.gz FEPKELZOLIZDEO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897429477 583973161 /nfs/dbraw/zinc/97/31/61/583973161.db2.gz FEPKELZOLIZDEO-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C1CC1 ZINC000864458276 584006804 /nfs/dbraw/zinc/00/68/04/584006804.db2.gz YALRSQTTWCTTEL-MWLCHTKSSA-N 2 1 224.352 0.993 20 0 BCADMP C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000897896964 584058403 /nfs/dbraw/zinc/05/84/03/584058403.db2.gz FWQPZDDYGATCSD-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+](C)C ZINC000899265042 584189051 /nfs/dbraw/zinc/18/90/51/584189051.db2.gz RNMYCBHAODPCLH-BDAKNGLRSA-N 2 1 212.341 0.849 20 0 BCADMP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+](C)C ZINC000899265045 584189056 /nfs/dbraw/zinc/18/90/56/584189056.db2.gz RNMYCBHAODPCLH-RKDXNWHRSA-N 2 1 212.341 0.849 20 0 BCADMP C[NH2+][C@H](C)Cc1noc([C@]23C[C@H]2CCC[NH2+]3)n1 ZINC000900010366 584265620 /nfs/dbraw/zinc/26/56/20/584265620.db2.gz QLUVSOUVWQBFNL-LNLATYFQSA-N 2 1 236.319 0.819 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588684 584328849 /nfs/dbraw/zinc/32/88/49/584328849.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 1 236.319 0.553 20 0 BCADMP CC[N@@H+]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900588684 584328850 /nfs/dbraw/zinc/32/88/50/584328850.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 1 236.319 0.553 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900588684 584328851 /nfs/dbraw/zinc/32/88/51/584328851.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 1 236.319 0.553 20 0 BCADMP Cc1cnccc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900618380 584332514 /nfs/dbraw/zinc/33/25/14/584332514.db2.gz JYNIDIKNXJRLOJ-ZWNOBZJWSA-N 2 1 249.314 0.206 20 0 BCADMP Cc1cnccc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900618380 584332516 /nfs/dbraw/zinc/33/25/16/584332516.db2.gz JYNIDIKNXJRLOJ-ZWNOBZJWSA-N 2 1 249.314 0.206 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000901306349 584420114 /nfs/dbraw/zinc/42/01/14/584420114.db2.gz JZCGHJOQKREARC-SRVKXCTJSA-N 2 1 241.379 0.878 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000902394296 584583331 /nfs/dbraw/zinc/58/33/31/584583331.db2.gz UPPZYNJZCZDJJC-NWDGAFQWSA-N 2 1 241.379 0.343 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CNOC2)C1 ZINC000902402078 584587702 /nfs/dbraw/zinc/58/77/02/584587702.db2.gz AOWDITDCZUELGX-UWVGGRQHSA-N 2 1 213.325 0.258 20 0 BCADMP C[C@H]1C[C@@H](NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000902415582 584589687 /nfs/dbraw/zinc/58/96/87/584589687.db2.gz JILNTKMGHPVPGA-VHSXEESVSA-N 2 1 209.337 0.693 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCCON)CC[N@H+]1C ZINC000902420521 584592243 /nfs/dbraw/zinc/59/22/43/584592243.db2.gz XZCMAXTYXXSWEF-VHSXEESVSA-N 2 1 201.314 0.339 20 0 BCADMP C[C@H]([NH2+]Cc1cnn(CCF)c1)C1C[NH2+]C1 ZINC000902444347 584598735 /nfs/dbraw/zinc/59/87/35/584598735.db2.gz HARPJJCMCQETNC-VIFPVBQESA-N 2 1 226.299 0.550 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449428 584606512 /nfs/dbraw/zinc/60/65/12/584606512.db2.gz OGFFCOYSXORZRA-GHMZBOCLSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCC[NH2+]1 ZINC000902450903 584606740 /nfs/dbraw/zinc/60/67/40/584606740.db2.gz DNXGNEYEOORPIJ-DJZSBQJZSA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000902455104 584609430 /nfs/dbraw/zinc/60/94/30/584609430.db2.gz ITVDMZQUIVDYEY-WDEREUQCSA-N 2 1 238.335 0.788 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462634 584612380 /nfs/dbraw/zinc/61/23/80/584612380.db2.gz WLEXWXLZWBQQLX-NNYUYHANSA-N 3 1 227.352 0.223 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)cn1 ZINC000902462138 584612453 /nfs/dbraw/zinc/61/24/53/584612453.db2.gz TURSBMGVUZKHQO-CMPLNLGQSA-N 2 1 222.336 0.898 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462390 584612597 /nfs/dbraw/zinc/61/25/97/584612597.db2.gz VNLUXSMFYWQZSE-PRFQISJJSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462390 584612599 /nfs/dbraw/zinc/61/25/99/584612599.db2.gz VNLUXSMFYWQZSE-PRFQISJJSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469277 584615948 /nfs/dbraw/zinc/61/59/48/584615948.db2.gz VNLUXSMFYWQZSE-IKKURHKOSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469277 584615950 /nfs/dbraw/zinc/61/59/50/584615950.db2.gz VNLUXSMFYWQZSE-IKKURHKOSA-N 2 1 235.375 0.857 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470824 584616255 /nfs/dbraw/zinc/61/62/55/584616255.db2.gz HGLIZGVUWGEIHH-ZJMQZLNVSA-N 2 1 235.375 0.952 20 0 BCADMP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902505447 584621201 /nfs/dbraw/zinc/62/12/01/584621201.db2.gz SNTYQUOOLYMMPR-ADEWGFFLSA-N 2 1 212.337 0.878 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000902488245 584627013 /nfs/dbraw/zinc/62/70/13/584627013.db2.gz MKRAYYLUOKUCTG-UJPLBGJFSA-N 2 1 221.348 0.310 20 0 BCADMP NC[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903420975 584763840 /nfs/dbraw/zinc/76/38/40/584763840.db2.gz IRTYCOOOXSQVPW-GRYCIOLGSA-N 2 1 211.353 0.927 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000903422360 584764394 /nfs/dbraw/zinc/76/43/94/584764394.db2.gz ZWZKNYUDLFAFTO-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000903422360 584764396 /nfs/dbraw/zinc/76/43/96/584764396.db2.gz ZWZKNYUDLFAFTO-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP CON1CC[C@H]([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903425058 584765244 /nfs/dbraw/zinc/76/52/44/584765244.db2.gz QDGFVMNJHSFUOK-VWYCJHECSA-N 2 1 241.335 0.208 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903425058 584765246 /nfs/dbraw/zinc/76/52/46/584765246.db2.gz QDGFVMNJHSFUOK-VWYCJHECSA-N 2 1 241.335 0.208 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903424895 584765290 /nfs/dbraw/zinc/76/52/90/584765290.db2.gz KSXPDBGFSXBKMN-USZNOCQGSA-N 3 1 211.353 0.783 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000903459335 584765707 /nfs/dbraw/zinc/76/57/07/584765707.db2.gz GYLJAHHFCRUNCZ-AGIUHOORSA-N 2 1 249.362 0.771 20 0 BCADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)OC1CC1 ZINC000903459963 584766781 /nfs/dbraw/zinc/76/67/81/584766781.db2.gz SFXOUQYBEJXRMN-UHFFFAOYSA-N 2 1 210.321 0.993 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOC1CC1)C2 ZINC000903464207 584767471 /nfs/dbraw/zinc/76/74/71/584767471.db2.gz DFGKYCSDNMUSIQ-PWSUYJOCSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOC1CC1)C2 ZINC000903464207 584767473 /nfs/dbraw/zinc/76/74/73/584767473.db2.gz DFGKYCSDNMUSIQ-PWSUYJOCSA-N 2 1 210.321 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(OC)C2=O)CC[C@H]1[NH3+] ZINC000903449788 584771162 /nfs/dbraw/zinc/77/11/62/584771162.db2.gz GEKTUXHDNAZZDD-MXWKQRLJSA-N 2 1 241.335 0.208 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(OC)C2=O)CC[C@H]1[NH3+] ZINC000903449788 584771163 /nfs/dbraw/zinc/77/11/63/584771163.db2.gz GEKTUXHDNAZZDD-MXWKQRLJSA-N 2 1 241.335 0.208 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450321 584772310 /nfs/dbraw/zinc/77/23/10/584772310.db2.gz UDKYMXYGYXTGSF-MNOVXSKESA-N 2 1 241.335 0.210 20 0 BCADMP C[C@@H]1CN[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903453820 584772659 /nfs/dbraw/zinc/77/26/59/584772659.db2.gz MTJAMZPHRVXCGR-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903453820 584772660 /nfs/dbraw/zinc/77/26/60/584772660.db2.gz MTJAMZPHRVXCGR-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454933 584773659 /nfs/dbraw/zinc/77/36/59/584773659.db2.gz OBMSDAYRMKKLGI-MXWKQRLJSA-N 2 1 228.336 0.583 20 0 BCADMP COC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000903456717 584774366 /nfs/dbraw/zinc/77/43/66/584774366.db2.gz JXLVDMGQBJKVSX-FVCCEPFGSA-N 2 1 242.363 0.578 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000903456717 584774368 /nfs/dbraw/zinc/77/43/68/584774368.db2.gz JXLVDMGQBJKVSX-FVCCEPFGSA-N 2 1 242.363 0.578 20 0 BCADMP C(C[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471292 584775528 /nfs/dbraw/zinc/77/55/28/584775528.db2.gz IECDIQYWNHQILO-RYUDHWBXSA-N 2 1 223.364 0.860 20 0 BCADMP c1nc2n(n1)[C@H](C[NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000903472591 584775914 /nfs/dbraw/zinc/77/59/14/584775914.db2.gz SSLHMTJTNCSIKC-QWRGUYRKSA-N 2 1 247.346 0.640 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000903474919 584776830 /nfs/dbraw/zinc/77/68/30/584776830.db2.gz URHAYYIVUNCNLY-RQJABVFESA-N 3 1 237.391 0.773 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000903474919 584776832 /nfs/dbraw/zinc/77/68/32/584776832.db2.gz URHAYYIVUNCNLY-RQJABVFESA-N 3 1 237.391 0.773 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(NCCO)CC2)C1 ZINC000903477354 584778149 /nfs/dbraw/zinc/77/81/49/584778149.db2.gz ZKZUAIGKMHZDEK-NWDGAFQWSA-N 2 1 241.379 0.160 20 0 BCADMP CON1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499745 584779993 /nfs/dbraw/zinc/77/99/93/584779993.db2.gz ZKTQZNYGZGMXGA-GMTAPVOTSA-N 2 1 241.335 0.065 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)C[C@H]1CC[NH3+] ZINC000903498477 584780196 /nfs/dbraw/zinc/78/01/96/584780196.db2.gz HBBKJTFXNBOCNF-VXGBXAGGSA-N 3 1 236.363 0.879 20 0 BCADMP Cc1nc([C@@H]2CC[N@H+](CCC[NH3+])C2)no1 ZINC000903490847 584780851 /nfs/dbraw/zinc/78/08/51/584780851.db2.gz KGCSQTSUFDPORY-SECBINFHSA-N 2 1 210.281 0.516 20 0 BCADMP Cc1nc([C@@H]2CC[N@@H+](CCC[NH3+])C2)no1 ZINC000903490847 584780852 /nfs/dbraw/zinc/78/08/52/584780852.db2.gz KGCSQTSUFDPORY-SECBINFHSA-N 2 1 210.281 0.516 20 0 BCADMP CCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491040 584781173 /nfs/dbraw/zinc/78/11/73/584781173.db2.gz SAKNHIDTJXKFGL-UMNHJUIQSA-N 2 1 226.320 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903556662 584783036 /nfs/dbraw/zinc/78/30/36/584783036.db2.gz DEYPZFPWJWXWFG-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903556662 584783037 /nfs/dbraw/zinc/78/30/37/584783037.db2.gz DEYPZFPWJWXWFG-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903555811 584783204 /nfs/dbraw/zinc/78/32/04/584783204.db2.gz CGSOBHIFBNMLLI-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903555811 584783205 /nfs/dbraw/zinc/78/32/05/584783205.db2.gz CGSOBHIFBNMLLI-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000903570043 584783580 /nfs/dbraw/zinc/78/35/80/584783580.db2.gz QFGQTTMZWZBUBP-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](C)CC1 ZINC000903570043 584783581 /nfs/dbraw/zinc/78/35/81/584783581.db2.gz QFGQTTMZWZBUBP-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748869 584794780 /nfs/dbraw/zinc/79/47/80/584794780.db2.gz CAYHNVLYJWCVJU-FIYWTHMPSA-N 3 1 239.363 0.177 20 0 BCADMP CN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748869 584794781 /nfs/dbraw/zinc/79/47/81/584794781.db2.gz CAYHNVLYJWCVJU-FIYWTHMPSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@H+](CCOC1CCSCC1)C[C@@H](O)C[NH3+] ZINC000903752373 584795330 /nfs/dbraw/zinc/79/53/30/584795330.db2.gz RVYATMKKJBPPMT-JTQLQIEISA-N 2 1 248.392 0.150 20 0 BCADMP C[N@@H+](CCOC1CCSCC1)C[C@@H](O)C[NH3+] ZINC000903752373 584795331 /nfs/dbraw/zinc/79/53/31/584795331.db2.gz RVYATMKKJBPPMT-JTQLQIEISA-N 2 1 248.392 0.150 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903742548 584796698 /nfs/dbraw/zinc/79/66/98/584796698.db2.gz CRKHMNCVDHLQOS-WISYIIOYSA-N 2 1 240.347 0.855 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000903742547 584796866 /nfs/dbraw/zinc/79/68/66/584796866.db2.gz CRKHMNCVDHLQOS-WHOHXGKFSA-N 2 1 240.347 0.855 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760372 584797092 /nfs/dbraw/zinc/79/70/92/584797092.db2.gz GNDFRFKVLKKMJF-CHWSQXEVSA-N 3 1 241.379 0.296 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760372 584797093 /nfs/dbraw/zinc/79/70/93/584797093.db2.gz GNDFRFKVLKKMJF-CHWSQXEVSA-N 3 1 241.379 0.296 20 0 BCADMP O[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764266 584797134 /nfs/dbraw/zinc/79/71/34/584797134.db2.gz QQIVOEIGQYCUSQ-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP O[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764268 584797578 /nfs/dbraw/zinc/79/75/78/584797578.db2.gz QQIVOEIGQYCUSQ-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903774970 584799068 /nfs/dbraw/zinc/79/90/68/584799068.db2.gz DGPUQGOPJAYIEN-WRWGMCAJSA-N 2 1 240.347 0.712 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805461 584802773 /nfs/dbraw/zinc/80/27/73/584802773.db2.gz OGDMLKLAINQXOA-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805461 584802774 /nfs/dbraw/zinc/80/27/74/584802774.db2.gz OGDMLKLAINQXOA-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C1(CN)CCOCC1 ZINC000903806334 584803062 /nfs/dbraw/zinc/80/30/62/584803062.db2.gz VXZPJYDSJZZIRW-UHFFFAOYSA-N 2 1 241.379 0.426 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])C1(CN)CCOCC1 ZINC000903809587 584803249 /nfs/dbraw/zinc/80/32/49/584803249.db2.gz GKUOCBDYNMJYHF-UHFFFAOYSA-N 2 1 243.395 0.945 20 0 BCADMP CN(CCCCCC[NH3+])C1(C[NH3+])CCOCC1 ZINC000903809587 584803250 /nfs/dbraw/zinc/80/32/50/584803250.db2.gz GKUOCBDYNMJYHF-UHFFFAOYSA-N 2 1 243.395 0.945 20 0 BCADMP C[N@H+](CCOC(F)F)C1(C[NH3+])CCOCC1 ZINC000903809756 584803498 /nfs/dbraw/zinc/80/34/98/584803498.db2.gz KSWYQZHNZUFHOE-UHFFFAOYSA-N 2 1 238.278 0.665 20 0 BCADMP C[N@@H+](CCOC(F)F)C1(C[NH3+])CCOCC1 ZINC000903809756 584803499 /nfs/dbraw/zinc/80/34/99/584803499.db2.gz KSWYQZHNZUFHOE-UHFFFAOYSA-N 2 1 238.278 0.665 20 0 BCADMP CNC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810785 584803679 /nfs/dbraw/zinc/80/36/79/584803679.db2.gz HUWYXZRWRCOTCQ-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CNC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810785 584803681 /nfs/dbraw/zinc/80/36/81/584803681.db2.gz HUWYXZRWRCOTCQ-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1NCC1CC[NH2+]CC1 ZINC000903821278 584803793 /nfs/dbraw/zinc/80/37/93/584803793.db2.gz JABILLOLQAWFOI-NSHDSACASA-N 2 1 211.353 0.574 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@H]1CC[NH2+]C1 ZINC000903825913 584804626 /nfs/dbraw/zinc/80/46/26/584804626.db2.gz FBVSUNWULACKID-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903824248 584804745 /nfs/dbraw/zinc/80/47/45/584804745.db2.gz OMPWQIZAEVQAKM-VXGBXAGGSA-N 2 1 228.336 0.605 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903824248 584804746 /nfs/dbraw/zinc/80/47/46/584804746.db2.gz OMPWQIZAEVQAKM-VXGBXAGGSA-N 2 1 228.336 0.605 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@@H]1CCC[NH2+]C1 ZINC000903826341 584805041 /nfs/dbraw/zinc/80/50/41/584805041.db2.gz IVDGZCNVZUQHDO-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@H]1CCC[NH2+]C1 ZINC000903826340 584805190 /nfs/dbraw/zinc/80/51/90/584805190.db2.gz IVDGZCNVZUQHDO-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829147 584805359 /nfs/dbraw/zinc/80/53/59/584805359.db2.gz AUYQVYOJDBYYOS-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829597 584805492 /nfs/dbraw/zinc/80/54/92/584805492.db2.gz IDNPGNGKQBRHPT-GRYCIOLGSA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1CCO ZINC000903829325 584805714 /nfs/dbraw/zinc/80/57/14/584805714.db2.gz DCJSCTMSYAFPHG-CYBMUJFWSA-N 2 1 244.379 0.979 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc[nH]n1)C2 ZINC000903840381 584807002 /nfs/dbraw/zinc/80/70/02/584807002.db2.gz QGFUVMNOEQQZQE-NGZCFLSTSA-N 2 1 206.293 0.721 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc[nH]n1)C2 ZINC000903840381 584807003 /nfs/dbraw/zinc/80/70/03/584807003.db2.gz QGFUVMNOEQQZQE-NGZCFLSTSA-N 2 1 206.293 0.721 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000903839453 584807114 /nfs/dbraw/zinc/80/71/14/584807114.db2.gz LCZYFXGNAJOBBQ-WJTVCTBASA-N 3 1 223.364 0.925 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccno1)C2 ZINC000903843962 584807738 /nfs/dbraw/zinc/80/77/38/584807738.db2.gz YDBDRFXCSSQETC-GUBZILKMSA-N 2 1 207.277 0.986 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccno1)C2 ZINC000903843962 584807739 /nfs/dbraw/zinc/80/77/39/584807739.db2.gz YDBDRFXCSSQETC-GUBZILKMSA-N 2 1 207.277 0.986 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857856 584809823 /nfs/dbraw/zinc/80/98/23/584809823.db2.gz GAGWKRAIPIYHGS-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857856 584809824 /nfs/dbraw/zinc/80/98/24/584809824.db2.gz GAGWKRAIPIYHGS-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857858 584810018 /nfs/dbraw/zinc/81/00/18/584810018.db2.gz GAGWKRAIPIYHGS-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857858 584810020 /nfs/dbraw/zinc/81/00/20/584810020.db2.gz GAGWKRAIPIYHGS-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858872 584810851 /nfs/dbraw/zinc/81/08/51/584810851.db2.gz JROHLZUXWDTKCK-JHJVBQTASA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858872 584810853 /nfs/dbraw/zinc/81/08/53/584810853.db2.gz JROHLZUXWDTKCK-JHJVBQTASA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858872 584810854 /nfs/dbraw/zinc/81/08/54/584810854.db2.gz JROHLZUXWDTKCK-JHJVBQTASA-N 3 1 223.364 0.799 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874390 584816147 /nfs/dbraw/zinc/81/61/47/584816147.db2.gz ZOVGYLBVXGISKD-PSEXLTFBSA-N 3 1 223.364 0.811 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874390 584816149 /nfs/dbraw/zinc/81/61/49/584816149.db2.gz ZOVGYLBVXGISKD-PSEXLTFBSA-N 3 1 223.364 0.811 20 0 BCADMP CC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877515 584816465 /nfs/dbraw/zinc/81/64/65/584816465.db2.gz BFTCHYYRAMBTEG-SNVBAGLBSA-N 2 1 223.324 0.654 20 0 BCADMP CC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877515 584816466 /nfs/dbraw/zinc/81/64/66/584816466.db2.gz BFTCHYYRAMBTEG-SNVBAGLBSA-N 2 1 223.324 0.654 20 0 BCADMP COC[C@@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000903880983 584817007 /nfs/dbraw/zinc/81/70/07/584817007.db2.gz OHQRPPBNWVBVPR-ZDUSSCGKSA-N 2 1 243.395 0.816 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000903880983 584817009 /nfs/dbraw/zinc/81/70/09/584817009.db2.gz OHQRPPBNWVBVPR-ZDUSSCGKSA-N 2 1 243.395 0.816 20 0 BCADMP COC[C@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000903880982 584817469 /nfs/dbraw/zinc/81/74/69/584817469.db2.gz OHQRPPBNWVBVPR-CYBMUJFWSA-N 2 1 243.395 0.816 20 0 BCADMP COC[C@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000903880982 584817470 /nfs/dbraw/zinc/81/74/70/584817470.db2.gz OHQRPPBNWVBVPR-CYBMUJFWSA-N 2 1 243.395 0.816 20 0 BCADMP COC[C@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883886 584818383 /nfs/dbraw/zinc/81/83/83/584818383.db2.gz ZYQBWAAIGITDJN-GRYCIOLGSA-N 2 1 227.352 0.034 20 0 BCADMP COC[C@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883886 584818384 /nfs/dbraw/zinc/81/83/84/584818384.db2.gz ZYQBWAAIGITDJN-GRYCIOLGSA-N 2 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914773 584819269 /nfs/dbraw/zinc/81/92/69/584819269.db2.gz WDSBODRDOHHABI-JVGWCMFKSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@H](O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904684 584820935 /nfs/dbraw/zinc/82/09/35/584820935.db2.gz YGULHBQFBKCIFT-YEJSDXFRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904683 584821131 /nfs/dbraw/zinc/82/11/31/584821131.db2.gz YGULHBQFBKCIFT-WAAKLRNESA-N 2 1 212.337 0.830 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908989 584821571 /nfs/dbraw/zinc/82/15/71/584821571.db2.gz CEMPUECEOCIMHX-KWQFWETISA-N 2 1 249.305 0.427 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908989 584821573 /nfs/dbraw/zinc/82/15/73/584821573.db2.gz CEMPUECEOCIMHX-KWQFWETISA-N 2 1 249.305 0.427 20 0 BCADMP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910566 584821782 /nfs/dbraw/zinc/82/17/82/584821782.db2.gz NWQFINJPISGBOC-XVKPBYJWSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910566 584821783 /nfs/dbraw/zinc/82/17/83/584821783.db2.gz NWQFINJPISGBOC-XVKPBYJWSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000903915349 584822755 /nfs/dbraw/zinc/82/27/55/584822755.db2.gz BEQRSSVKGIYRLL-JVGWCMFKSA-N 3 1 223.364 0.796 20 0 BCADMP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000903915349 584822757 /nfs/dbraw/zinc/82/27/57/584822757.db2.gz BEQRSSVKGIYRLL-JVGWCMFKSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000903915349 584822759 /nfs/dbraw/zinc/82/27/59/584822759.db2.gz BEQRSSVKGIYRLL-JVGWCMFKSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)N ZINC000903920983 584822914 /nfs/dbraw/zinc/82/29/14/584822914.db2.gz ZGCITCNYTBJHDE-JQYRIEHKSA-N 2 1 211.353 0.842 20 0 BCADMP [NH3+][C@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928140 584824396 /nfs/dbraw/zinc/82/43/96/584824396.db2.gz WCLHSPWCSGLWES-YUMQZZPRSA-N 2 1 247.289 0.322 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000903931643 584825178 /nfs/dbraw/zinc/82/51/78/584825178.db2.gz HCYHSWSWBPUMQB-SFYZADRCSA-N 2 1 222.279 0.814 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2C1 ZINC000903939430 584825301 /nfs/dbraw/zinc/82/53/01/584825301.db2.gz HCFWMLCDKORGKB-AKJUYKBHSA-N 2 1 249.358 0.149 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2C1 ZINC000903939430 584825303 /nfs/dbraw/zinc/82/53/03/584825303.db2.gz HCFWMLCDKORGKB-AKJUYKBHSA-N 2 1 249.358 0.149 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000903953650 584831672 /nfs/dbraw/zinc/83/16/72/584831672.db2.gz ICTCIIIGRSQYIF-JQWIXIFHSA-N 2 1 241.335 0.416 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000903953650 584831673 /nfs/dbraw/zinc/83/16/73/584831673.db2.gz ICTCIIIGRSQYIF-JQWIXIFHSA-N 2 1 241.335 0.416 20 0 BCADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965137 584834525 /nfs/dbraw/zinc/83/45/25/584834525.db2.gz XCFKXNUOGRZFKU-SCZZXKLOSA-N 2 1 208.309 0.663 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000903967343 584835090 /nfs/dbraw/zinc/83/50/90/584835090.db2.gz HTSIGDRIPHVHML-MNOVXSKESA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000903968455 584835200 /nfs/dbraw/zinc/83/52/00/584835200.db2.gz WORPOFPUHXEVOD-WOPDTQHZSA-N 3 1 211.353 0.574 20 0 BCADMP CC[N@@H+](CCC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903987987 584836058 /nfs/dbraw/zinc/83/60/58/584836058.db2.gz LXPDGMFWSYZGDS-YOGCLGLASA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315879 584860209 /nfs/dbraw/zinc/86/02/09/584860209.db2.gz GAUVBINWOMSRLY-VXGBXAGGSA-N 2 1 212.337 0.690 20 0 BCADMP CC[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316186 584860585 /nfs/dbraw/zinc/86/05/85/584860585.db2.gz LRZUIHYMIQIKBM-DTORHVGOSA-N 2 1 200.282 0.219 20 0 BCADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000904299805 584860937 /nfs/dbraw/zinc/86/09/37/584860937.db2.gz OSMUJEZOCOFWHM-ZDUSSCGKSA-N 3 1 219.332 0.926 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904300144 584861271 /nfs/dbraw/zinc/86/12/71/584861271.db2.gz XEMIQNMORNXVQA-ZJUUUORDSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904300144 584861272 /nfs/dbraw/zinc/86/12/72/584861272.db2.gz XEMIQNMORNXVQA-ZJUUUORDSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301535 584861338 /nfs/dbraw/zinc/86/13/38/584861338.db2.gz NCNOCUAILXARII-WCQYABFASA-N 2 1 239.363 0.573 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904301337 584861593 /nfs/dbraw/zinc/86/15/93/584861593.db2.gz KOIJKWASGYFBKI-UHFFFAOYSA-N 3 1 207.321 0.926 20 0 BCADMP CN(CCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904301337 584861594 /nfs/dbraw/zinc/86/15/94/584861594.db2.gz KOIJKWASGYFBKI-UHFFFAOYSA-N 2 1 207.321 0.926 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000904301604 584861606 /nfs/dbraw/zinc/86/16/06/584861606.db2.gz JSGZIJNRGWAOGW-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305670 584862315 /nfs/dbraw/zinc/86/23/15/584862315.db2.gz SJXWJXQEJNINIL-OUAUKWLOSA-N 2 1 226.320 0.751 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904309677 584862505 /nfs/dbraw/zinc/86/25/05/584862505.db2.gz PARBXOJTQHPPGV-CYBMUJFWSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904309677 584862506 /nfs/dbraw/zinc/86/25/06/584862506.db2.gz PARBXOJTQHPPGV-CYBMUJFWSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309204 584862740 /nfs/dbraw/zinc/86/27/40/584862740.db2.gz CSSFGVJXJMBWKS-XWLWVQCSSA-N 2 1 225.336 0.310 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904310210 584863040 /nfs/dbraw/zinc/86/30/40/584863040.db2.gz YBLZQTHEZPYIFW-AAEUAGOBSA-N 2 1 240.347 0.871 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000904313122 584863247 /nfs/dbraw/zinc/86/32/47/584863247.db2.gz CWDDGLWDILWQMV-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP NC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314383 584863725 /nfs/dbraw/zinc/86/37/25/584863725.db2.gz VRTRFBVCUSSDQS-UTUOFQBUSA-N 2 1 239.363 0.701 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](OCCO)C2)C1 ZINC000904318726 584863941 /nfs/dbraw/zinc/86/39/41/584863941.db2.gz UPGNSKQLHWBGFG-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321662 584865011 /nfs/dbraw/zinc/86/50/11/584865011.db2.gz BBKZXQOFSJCEKH-XWLWVQCSSA-N 2 1 248.392 0.477 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000904326914 584865477 /nfs/dbraw/zinc/86/54/77/584865477.db2.gz SYYXTYUCMHYNBU-KXNHARMFSA-N 2 1 242.388 0.930 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865504 /nfs/dbraw/zinc/86/55/04/584865504.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865505 /nfs/dbraw/zinc/86/55/05/584865505.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865506 /nfs/dbraw/zinc/86/55/06/584865506.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP CCCCC[N@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332904 584865927 /nfs/dbraw/zinc/86/59/27/584865927.db2.gz TVYCEAAZTRGKCK-PHIMTYICSA-N 2 1 227.352 0.701 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000904328990 584866257 /nfs/dbraw/zinc/86/62/57/584866257.db2.gz JXZGCZOBASNOOO-PHIMTYICSA-N 2 1 226.320 0.563 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904333838 584866496 /nfs/dbraw/zinc/86/64/96/584866496.db2.gz HQKDBOPPRBIGQR-SDDRHHMPSA-N 3 1 211.353 0.785 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1 ZINC000904334053 584866599 /nfs/dbraw/zinc/86/65/99/584866599.db2.gz KKDUDVQMIAXIJJ-GRYCIOLGSA-N 2 1 211.353 0.654 20 0 BCADMP CC(C)[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000904334053 584866600 /nfs/dbraw/zinc/86/66/00/584866600.db2.gz KKDUDVQMIAXIJJ-GRYCIOLGSA-N 2 1 211.353 0.654 20 0 BCADMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1O ZINC000904340862 584867016 /nfs/dbraw/zinc/86/70/16/584867016.db2.gz MIIOTZYGVQKLJV-AXFHLTTASA-N 2 1 212.337 0.817 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904341739 584867161 /nfs/dbraw/zinc/86/71/61/584867161.db2.gz VFVXHBWCYFZYFE-AOOOYVTPSA-N 2 1 221.308 0.139 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904341739 584867163 /nfs/dbraw/zinc/86/71/63/584867163.db2.gz VFVXHBWCYFZYFE-AOOOYVTPSA-N 2 1 221.308 0.139 20 0 BCADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342074 584867174 /nfs/dbraw/zinc/86/71/74/584867174.db2.gz WOJCJDMHXRTGFZ-WHOHXGKFSA-N 2 1 211.353 0.748 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904342681 584867292 /nfs/dbraw/zinc/86/72/92/584867292.db2.gz NGDNTCAFRDOVRG-OLZOCXBDSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904342682 584867334 /nfs/dbraw/zinc/86/73/34/584867334.db2.gz NGDNTCAFRDOVRG-QWHCGFSZSA-N 2 1 239.363 0.573 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOCC3(CC3)C2)C1 ZINC000904345668 584868107 /nfs/dbraw/zinc/86/81/07/584868107.db2.gz IKVNZRUAHVKQHE-PHIMTYICSA-N 2 1 210.321 0.836 20 0 BCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347951 584868115 /nfs/dbraw/zinc/86/81/15/584868115.db2.gz LBGOBSJRFYWESM-ZIQFBCGOSA-N 2 1 237.347 0.310 20 0 BCADMP CCC([NH3+])(CC)CNC1CCN(CC[NH3+])CC1 ZINC000904350062 584869145 /nfs/dbraw/zinc/86/91/45/584869145.db2.gz GRQNYUJGPGDBDC-UHFFFAOYSA-N 2 1 242.411 0.517 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350099 584869160 /nfs/dbraw/zinc/86/91/60/584869160.db2.gz HXSXBJBWRYIDKB-TUAOUCFPSA-N 3 1 211.353 0.927 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000904348987 584869182 /nfs/dbraw/zinc/86/91/82/584869182.db2.gz ZAENWBXPOGCCBU-CHWFTXMASA-N 2 1 226.320 0.607 20 0 BCADMP C[C@H]([NH2+]Cc1ccc(N)nn1)[C@H]1CCC[NH2+]C1 ZINC000904353821 584870486 /nfs/dbraw/zinc/87/04/86/584870486.db2.gz RWGWPSQTALOGTA-UWVGGRQHSA-N 2 1 235.335 0.537 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000904355154 584870734 /nfs/dbraw/zinc/87/07/34/584870734.db2.gz KHPKHRIMNMLSLV-ZDUSSCGKSA-N 3 1 219.332 0.972 20 0 BCADMP [NH3+]Cc1ccc(CNCC(F)(F)C[NH3+])cc1 ZINC000904354778 584870915 /nfs/dbraw/zinc/87/09/15/584870915.db2.gz GARJKIWWIMSEPE-UHFFFAOYSA-N 2 1 229.274 0.829 20 0 BCADMP Nc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000904356694 584871316 /nfs/dbraw/zinc/87/13/16/584871316.db2.gz XYGMJUOUMXBDAV-BDAKNGLRSA-N 2 1 221.308 0.418 20 0 BCADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355598 584871452 /nfs/dbraw/zinc/87/14/52/584871452.db2.gz UOUCTZDQDBEIKR-GFCCVEGCSA-N 3 1 207.321 0.972 20 0 BCADMP [NH3+]Cc1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1 ZINC000904371682 584873486 /nfs/dbraw/zinc/87/34/86/584873486.db2.gz QYKLLMGGYWXUJM-ZDUSSCGKSA-N 2 1 235.331 0.223 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904388684 584874841 /nfs/dbraw/zinc/87/48/41/584874841.db2.gz NDAZZODVDPOBDA-AGIUHOORSA-N 3 1 225.380 0.821 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000904388913 584875066 /nfs/dbraw/zinc/87/50/66/584875066.db2.gz DMROOCDFPIXMPG-SECBINFHSA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000904388913 584875067 /nfs/dbraw/zinc/87/50/67/584875067.db2.gz DMROOCDFPIXMPG-SECBINFHSA-N 2 1 214.309 0.609 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3nccnc3C2)C1 ZINC000904378551 584876080 /nfs/dbraw/zinc/87/60/80/584876080.db2.gz FTOOLQWZDJLAFH-AOOOYVTPSA-N 2 1 218.304 0.572 20 0 BCADMP N[C@H]1CCCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380494 584876677 /nfs/dbraw/zinc/87/66/77/584876677.db2.gz CWXIGFJZCPHFES-SDDRHHMPSA-N 2 1 211.353 0.927 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CCCCC[C@H]([NH3+])C2)C1 ZINC000904380494 584876678 /nfs/dbraw/zinc/87/66/78/584876678.db2.gz CWXIGFJZCPHFES-SDDRHHMPSA-N 2 1 211.353 0.927 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000904381881 584877341 /nfs/dbraw/zinc/87/73/41/584877341.db2.gz WVVJDKQSPBTMFB-WUHRBBMRSA-N 2 1 224.348 0.818 20 0 BCADMP C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410586 584879236 /nfs/dbraw/zinc/87/92/36/584879236.db2.gz PAXIPLQQJDAOOW-WDEREUQCSA-N 3 1 211.353 0.642 20 0 BCADMP C[C@H]1C[N@H+](CC2(CN)CC2)CC[C@@H]1C[NH3+] ZINC000904410586 584879238 /nfs/dbraw/zinc/87/92/38/584879238.db2.gz PAXIPLQQJDAOOW-WDEREUQCSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@H]1C[N@@H+](CC2(CN)CC2)CC[C@@H]1C[NH3+] ZINC000904410586 584879240 /nfs/dbraw/zinc/87/92/40/584879240.db2.gz PAXIPLQQJDAOOW-WDEREUQCSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411312 584879710 /nfs/dbraw/zinc/87/97/10/584879710.db2.gz UKCLOKJQJZMKRN-UTLUCORTSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411312 584879711 /nfs/dbraw/zinc/87/97/11/584879711.db2.gz UKCLOKJQJZMKRN-UTLUCORTSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](N)CC(F)F)CC[C@H]1C[NH3+] ZINC000904411312 584879712 /nfs/dbraw/zinc/87/97/12/584879712.db2.gz UKCLOKJQJZMKRN-UTLUCORTSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](N)CC(F)F)CC[C@H]1C[NH3+] ZINC000904411312 584879713 /nfs/dbraw/zinc/87/97/13/584879713.db2.gz UKCLOKJQJZMKRN-UTLUCORTSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC000904419412 584882081 /nfs/dbraw/zinc/88/20/81/584882081.db2.gz VDRZOBBTUJSSRH-FVCCEPFGSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@]1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420211 584882297 /nfs/dbraw/zinc/88/22/97/584882297.db2.gz GSRBURJZWXSSRT-MJBXVCDLSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420211 584882299 /nfs/dbraw/zinc/88/22/99/584882299.db2.gz GSRBURJZWXSSRT-MJBXVCDLSA-N 3 1 237.391 0.917 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000733367597 584947338 /nfs/dbraw/zinc/94/73/38/584947338.db2.gz GEVOKCJGCJXKCJ-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748350097 585191193 /nfs/dbraw/zinc/19/11/93/585191193.db2.gz NWFNXNSRDGMMNO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748350097 585191194 /nfs/dbraw/zinc/19/11/94/585191194.db2.gz NWFNXNSRDGMMNO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748350097 585191195 /nfs/dbraw/zinc/19/11/95/585191195.db2.gz NWFNXNSRDGMMNO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748350097 585191196 /nfs/dbraw/zinc/19/11/96/585191196.db2.gz NWFNXNSRDGMMNO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP Cc1cccc(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000757842073 585345938 /nfs/dbraw/zinc/34/59/38/585345938.db2.gz LXUBRXFMJNRQRT-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP Cc1cccc(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000757842073 585345939 /nfs/dbraw/zinc/34/59/39/585345939.db2.gz LXUBRXFMJNRQRT-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP CCN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC ZINC000760847339 585399862 /nfs/dbraw/zinc/39/98/62/585399862.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+](C)[C@H](C[NH2+]C1CCN(C=O)CC1)C1CC1 ZINC000774133327 585651229 /nfs/dbraw/zinc/65/12/29/585651229.db2.gz YSYFGLFLVZZXCP-CYBMUJFWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774169590 585652757 /nfs/dbraw/zinc/65/27/57/585652757.db2.gz SMXPBRASTZKIGL-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774169590 585652758 /nfs/dbraw/zinc/65/27/58/585652758.db2.gz SMXPBRASTZKIGL-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776760092 585704609 /nfs/dbraw/zinc/70/46/09/585704609.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 1 237.351 0.899 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776760523 585704762 /nfs/dbraw/zinc/70/47/62/585704762.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 1 223.324 0.509 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000777601249 585715847 /nfs/dbraw/zinc/71/58/47/585715847.db2.gz XTZQBPPSGHBVAO-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000777601249 585715848 /nfs/dbraw/zinc/71/58/48/585715848.db2.gz XTZQBPPSGHBVAO-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3OCCO3)CC[C@@H]21 ZINC000777601249 585715849 /nfs/dbraw/zinc/71/58/49/585715849.db2.gz XTZQBPPSGHBVAO-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3OCCO3)CC[C@@H]21 ZINC000777601249 585715850 /nfs/dbraw/zinc/71/58/50/585715850.db2.gz XTZQBPPSGHBVAO-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339868 585751426 /nfs/dbraw/zinc/75/14/26/585751426.db2.gz GFYUGOIOJQFNEO-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H]1CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000783234897 585831710 /nfs/dbraw/zinc/83/17/10/585831710.db2.gz BHCJEYYQDCXRBE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000791564895 585984234 /nfs/dbraw/zinc/98/42/34/585984234.db2.gz BKXMZEWEHCOXSB-UTUOFQBUSA-N 2 1 212.337 0.926 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCCC2)C1 ZINC000794953054 586056977 /nfs/dbraw/zinc/05/69/77/586056977.db2.gz HSKRMKASHJPYOJ-STQMWFEESA-N 2 1 223.364 0.718 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140553 586069333 /nfs/dbraw/zinc/06/93/33/586069333.db2.gz OVTQZSSHOUOQMN-NEPJUHHUSA-N 2 1 235.331 0.973 20 0 BCADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCO ZINC000795143819 586069525 /nfs/dbraw/zinc/06/95/25/586069525.db2.gz NHDOKTNJPOHJHU-LLVKDONJSA-N 2 1 221.304 0.584 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC[S@@](C)=O ZINC000798196922 586139972 /nfs/dbraw/zinc/13/99/72/586139972.db2.gz QYLQOGMKXGLQTR-OAHLLOKOSA-N 2 1 229.349 0.584 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000817922830 586840440 /nfs/dbraw/zinc/84/04/40/586840440.db2.gz MTLPXDINJOBLBY-MNOVXSKESA-N 2 1 228.336 0.727 20 0 BCADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480440 587122134 /nfs/dbraw/zinc/12/21/34/587122134.db2.gz IPOUIIPOQWTNRW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480440 587122135 /nfs/dbraw/zinc/12/21/35/587122135.db2.gz IPOUIIPOQWTNRW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000821727624 587134953 /nfs/dbraw/zinc/13/49/53/587134953.db2.gz CNRLTIOLCVLWIS-UHFFFAOYSA-N 2 1 237.347 0.460 20 0 BCADMP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000822672523 587180367 /nfs/dbraw/zinc/18/03/67/587180367.db2.gz ZACMEQMXGPISND-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000822672523 587180368 /nfs/dbraw/zinc/18/03/68/587180368.db2.gz ZACMEQMXGPISND-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822866982 587190348 /nfs/dbraw/zinc/19/03/48/587190348.db2.gz QYGFDWQUCRNWTL-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000822866982 587190349 /nfs/dbraw/zinc/19/03/49/587190349.db2.gz QYGFDWQUCRNWTL-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CN(CC[S@@](C)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000827878463 587407050 /nfs/dbraw/zinc/40/70/50/587407050.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 1 232.393 0.639 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000829478884 587499676 /nfs/dbraw/zinc/49/96/76/587499676.db2.gz NDOZNJHVTXVUHT-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ncc[nH]1 ZINC000831617805 587624019 /nfs/dbraw/zinc/62/40/19/587624019.db2.gz JYHAMFYGZRCYQO-UWVGGRQHSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@H]1[C@H](C)N(C(=O)Cc2ncc[nH]2)CCN1C ZINC000831617805 587624021 /nfs/dbraw/zinc/62/40/21/587624021.db2.gz JYHAMFYGZRCYQO-UWVGGRQHSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000831970396 587640036 /nfs/dbraw/zinc/64/00/36/587640036.db2.gz FYXCRZLRRPBKLA-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@H]1C)[C@H](C)[NH3+] ZINC000831971263 587640111 /nfs/dbraw/zinc/64/01/11/587640111.db2.gz UPEAVNDDJBAVLO-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970317 587640312 /nfs/dbraw/zinc/64/03/12/587640312.db2.gz CHQHUCVAGAHJDB-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971047 587640443 /nfs/dbraw/zinc/64/04/43/587640443.db2.gz QFLUEHJTSUPHJX-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971452 587640572 /nfs/dbraw/zinc/64/05/72/587640572.db2.gz XUSIHDINCLFUPS-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970262 587640666 /nfs/dbraw/zinc/64/06/66/587640666.db2.gz BDRQPXUHIKFDKW-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971381 587640803 /nfs/dbraw/zinc/64/08/03/587640803.db2.gz WQQSNQJZWAWBIN-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970285 587640974 /nfs/dbraw/zinc/64/09/74/587640974.db2.gz BPLTYITZRBQEEI-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH3+])C1 ZINC000832530282 587664849 /nfs/dbraw/zinc/66/48/49/587664849.db2.gz VIWNSQLDGHWMPV-NSHDSACASA-N 2 1 236.319 0.531 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@H](C)[NH3+] ZINC000832569103 587667184 /nfs/dbraw/zinc/66/71/84/587667184.db2.gz ILMFTTLMEJPICY-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP COCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000104083733 587933942 /nfs/dbraw/zinc/93/39/42/587933942.db2.gz FNGYXNDYGTXFRR-UHFFFAOYSA-N 2 1 200.326 0.906 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007557 587934799 /nfs/dbraw/zinc/93/47/99/587934799.db2.gz YWTWXHOFVCYQSZ-RYUDHWBXSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@@H]([NH3+])CCNc1nc(N(C)C)cc[nH+]1 ZINC000842272778 588010529 /nfs/dbraw/zinc/01/05/29/588010529.db2.gz NYKXBLGLBWHBMS-MRVPVSSYSA-N 2 1 209.297 0.692 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000842667675 588050710 /nfs/dbraw/zinc/05/07/10/588050710.db2.gz BGFUCUYQTNTLED-VXGBXAGGSA-N 2 1 230.352 0.722 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842667674 588050946 /nfs/dbraw/zinc/05/09/46/588050946.db2.gz BGFUCUYQTNTLED-RYUDHWBXSA-N 2 1 230.352 0.722 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000843080793 588080004 /nfs/dbraw/zinc/08/00/04/588080004.db2.gz KKAYRWQKRNOWNL-RYUDHWBXSA-N 2 1 242.294 0.029 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000843080796 588080139 /nfs/dbraw/zinc/08/01/39/588080139.db2.gz KKAYRWQKRNOWNL-VXGBXAGGSA-N 2 1 242.294 0.029 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843080516 588080245 /nfs/dbraw/zinc/08/02/45/588080245.db2.gz IQHQKJNNEOVZBI-NEPJUHHUSA-N 2 1 242.294 0.029 20 0 BCADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(CC[NH3+])no1 ZINC000843131711 588085625 /nfs/dbraw/zinc/08/56/25/588085625.db2.gz PUKRMRXORLPWGP-IUCAKERBSA-N 2 1 224.308 0.944 20 0 BCADMP C[C@](C[NH3+])([NH2+]CCN1CCOC1=O)C1CC1 ZINC000843355551 588103184 /nfs/dbraw/zinc/10/31/84/588103184.db2.gz GNTOVXIABVVZDH-LLVKDONJSA-N 2 1 227.308 0.156 20 0 BCADMP O=C1OCC[C@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385756 588105640 /nfs/dbraw/zinc/10/56/40/588105640.db2.gz VTWKFQDBIRNFOF-NWDGAFQWSA-N 2 1 238.331 0.623 20 0 BCADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481584 588114405 /nfs/dbraw/zinc/11/44/05/588114405.db2.gz ZEDXZVSCYFSQPG-IUCAKERBSA-N 2 1 247.289 0.052 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000843807424 588142015 /nfs/dbraw/zinc/14/20/15/588142015.db2.gz ZBGOWGWDVRKJQG-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)CC[N@H+]1C ZINC000843807424 588142016 /nfs/dbraw/zinc/14/20/16/588142016.db2.gz ZBGOWGWDVRKJQG-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000843807424 588142017 /nfs/dbraw/zinc/14/20/17/588142017.db2.gz ZBGOWGWDVRKJQG-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000843807424 588142018 /nfs/dbraw/zinc/14/20/18/588142018.db2.gz ZBGOWGWDVRKJQG-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000844170809 588171658 /nfs/dbraw/zinc/17/16/58/588171658.db2.gz DHHCTTZPHOKXNB-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000844183050 588171976 /nfs/dbraw/zinc/17/19/76/588171976.db2.gz ONGXFOVZEZVKJO-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000844171462 588172404 /nfs/dbraw/zinc/17/24/04/588172404.db2.gz IQRGKQPUGGPEPU-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844190513 588172815 /nfs/dbraw/zinc/17/28/15/588172815.db2.gz JFHGSKQBXWEJDG-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846221498 588261312 /nfs/dbraw/zinc/26/13/12/588261312.db2.gz ZGMBGKNHLYDARF-OCCSQVGLSA-N 2 1 249.358 0.841 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220477 588261414 /nfs/dbraw/zinc/26/14/14/588261414.db2.gz QIMNGOLBYIBTAG-LBPRGKRZSA-N 2 1 241.379 0.032 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])C1CCC([NH3+])CC1 ZINC000846669816 588281716 /nfs/dbraw/zinc/28/17/16/588281716.db2.gz YHHINQGOXQFQIP-UHFFFAOYSA-N 2 1 249.305 0.699 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC000846830888 588291439 /nfs/dbraw/zinc/29/14/39/588291439.db2.gz INQAPOLNSWCSCK-SNVBAGLBSA-N 2 1 246.351 0.230 20 0 BCADMP CCN(CC)C(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980449 588423255 /nfs/dbraw/zinc/42/32/55/588423255.db2.gz NAXKFHUFQCYJMY-UHFFFAOYSA-N 2 1 242.367 0.575 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000848980965 588423692 /nfs/dbraw/zinc/42/36/92/588423692.db2.gz NEDUDQMBEIPJNI-JTQLQIEISA-N 2 1 210.325 0.701 20 0 BCADMP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848986996 588425587 /nfs/dbraw/zinc/42/55/87/588425587.db2.gz DKZZIGSXPUYKTD-NXEZZACHSA-N 2 1 212.341 0.993 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000848987765 588425976 /nfs/dbraw/zinc/42/59/76/588425976.db2.gz YTDBMUQIIHWXDG-LBPRGKRZSA-N 2 1 238.379 0.999 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000848987764 588425981 /nfs/dbraw/zinc/42/59/81/588425981.db2.gz YTDBMUQIIHWXDG-GFCCVEGCSA-N 2 1 238.379 0.999 20 0 BCADMP CC[NH+]1CCN(CCCCNC(=[NH2+])NC)CC1 ZINC000848989840 588426720 /nfs/dbraw/zinc/42/67/20/588426720.db2.gz FOAYXFURBCSOJX-UHFFFAOYSA-N 2 1 241.383 0.148 20 0 BCADMP CCNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000848993308 588427837 /nfs/dbraw/zinc/42/78/37/588427837.db2.gz XXYYOYUJBWOPNY-UHFFFAOYSA-N 2 1 216.329 0.089 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848997352 588429603 /nfs/dbraw/zinc/42/96/03/588429603.db2.gz BEQJLUJLSPFDSF-LLVKDONJSA-N 2 1 224.352 0.948 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849001013 588430721 /nfs/dbraw/zinc/43/07/21/588430721.db2.gz OWHFHKSHLXPNGU-NSHDSACASA-N 2 1 242.367 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N2CCOCC2)C1 ZINC000849004730 588432134 /nfs/dbraw/zinc/43/21/34/588432134.db2.gz XSMPFQJXAPFFLQ-LLVKDONJSA-N 2 1 240.351 0.185 20 0 BCADMP CNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000849009797 588434489 /nfs/dbraw/zinc/43/44/89/588434489.db2.gz QAMLXHFFTYAUSO-UHFFFAOYSA-N 2 1 246.358 0.829 20 0 BCADMP C[N@@H+]1CC=C(CNC(=[NH2+])NC2CCC2)CC1 ZINC000849016708 588437015 /nfs/dbraw/zinc/43/70/15/588437015.db2.gz DQZGHZQPSFQTPT-UHFFFAOYSA-N 2 1 222.336 0.915 20 0 BCADMP C[N@@H+]1CC=C(CNC(=[NH2+])N2CCC2)CC1 ZINC000849016800 588437453 /nfs/dbraw/zinc/43/74/53/588437453.db2.gz KQUFYLYIIKAAPG-UHFFFAOYSA-N 2 1 208.309 0.478 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021187 588438780 /nfs/dbraw/zinc/43/87/80/588438780.db2.gz ZPRHJILTAGVNCP-UHFFFAOYSA-N 2 1 228.340 0.231 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021187 588438782 /nfs/dbraw/zinc/43/87/82/588438782.db2.gz ZPRHJILTAGVNCP-UHFFFAOYSA-N 2 1 228.340 0.231 20 0 BCADMP CC[C@@H](CO)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849020704 588438986 /nfs/dbraw/zinc/43/89/86/588438986.db2.gz YAKJIKXLXOKKQW-WDEREUQCSA-N 2 1 242.367 0.356 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021103 588439068 /nfs/dbraw/zinc/43/90/68/588439068.db2.gz QGNWPUUUHWWPRF-NSHDSACASA-N 2 1 242.367 0.621 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021103 588439070 /nfs/dbraw/zinc/43/90/70/588439070.db2.gz QGNWPUUUHWWPRF-NSHDSACASA-N 2 1 242.367 0.621 20 0 BCADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CCCO)N1CCC1 ZINC000849033887 588443825 /nfs/dbraw/zinc/44/38/25/588443825.db2.gz DGEAGUKKLLHWNR-NSHDSACASA-N 2 1 240.351 0.063 20 0 BCADMP CN(C(=[NH2+])NCC[NH+]1CCC(O)CC1)C1CC1 ZINC000849037922 588446126 /nfs/dbraw/zinc/44/61/26/588446126.db2.gz HFCJNKQYNXNVBP-UHFFFAOYSA-N 2 1 240.351 0.062 20 0 BCADMP C[C@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CC2)CCO1 ZINC000849043876 588449142 /nfs/dbraw/zinc/44/91/42/588449142.db2.gz XFFPZVLIGQDYNV-JTQLQIEISA-N 2 1 240.351 0.326 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(CC[NH+](C)C)nn1 ZINC000849136461 588453665 /nfs/dbraw/zinc/45/36/65/588453665.db2.gz FYQYLGOJBVCJPY-UHFFFAOYSA-N 2 1 248.334 0.647 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851656599 588613260 /nfs/dbraw/zinc/61/32/60/588613260.db2.gz MNXKPLJMVFOJRD-LLVKDONJSA-N 2 1 244.383 0.624 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000851663607 588613799 /nfs/dbraw/zinc/61/37/99/588613799.db2.gz FBJMMYIZWQMCQP-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852562049 588690900 /nfs/dbraw/zinc/69/09/00/588690900.db2.gz ZQLPLMZCLFTMOY-YNEHKIRRSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852562049 588690901 /nfs/dbraw/zinc/69/09/01/588690901.db2.gz ZQLPLMZCLFTMOY-YNEHKIRRSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000852716064 588697750 /nfs/dbraw/zinc/69/77/50/588697750.db2.gz GYHNYYUZLXRVCN-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000852716064 588697751 /nfs/dbraw/zinc/69/77/51/588697751.db2.gz GYHNYYUZLXRVCN-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CNCCO3)C2)nc1 ZINC000852750222 588699829 /nfs/dbraw/zinc/69/98/29/588699829.db2.gz ONISAQTVKNWIBH-CHWSQXEVSA-N 2 1 247.342 0.859 20 0 BCADMP c1ccc([C@@H]2CCN(C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750222 588699830 /nfs/dbraw/zinc/69/98/30/588699830.db2.gz ONISAQTVKNWIBH-CHWSQXEVSA-N 2 1 247.342 0.859 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000852823235 588705738 /nfs/dbraw/zinc/70/57/38/588705738.db2.gz CVWBHSXDALDEPC-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000852900528 588712417 /nfs/dbraw/zinc/71/24/17/588712417.db2.gz XWAJWBRAHCKUJA-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651527 589173176 /nfs/dbraw/zinc/17/31/76/589173176.db2.gz VHLOGMJWRAZWDT-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000863542355 589296991 /nfs/dbraw/zinc/29/69/91/589296991.db2.gz QCGOJDWLQCEWBC-WCQGTBRESA-N 2 1 238.331 0.978 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C2CCN(C=O)CC2)C[NH2+]1 ZINC000863548524 589298680 /nfs/dbraw/zinc/29/86/80/589298680.db2.gz YVFGYDBGNHEPGV-PWSUYJOCSA-N 2 1 225.336 0.337 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(N)nn2)C1 ZINC000864055863 589336289 /nfs/dbraw/zinc/33/62/89/589336289.db2.gz ZPIGCQARMTYSAM-JTQLQIEISA-N 2 1 249.362 0.927 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000864066552 589338161 /nfs/dbraw/zinc/33/81/61/589338161.db2.gz BUCCZMUOXMZTAO-UHFFFAOYSA-N 2 1 248.330 0.498 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453715 589366055 /nfs/dbraw/zinc/36/60/55/589366055.db2.gz BCYOBBSABHOTLI-GHMZBOCLSA-N 2 1 242.367 0.477 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864456437 589367352 /nfs/dbraw/zinc/36/73/52/589367352.db2.gz IYCXCTOFBIPEKH-PSASIEDQSA-N 2 1 221.308 0.714 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000864457263 589367405 /nfs/dbraw/zinc/36/74/05/589367405.db2.gz CCEUOIDUVOOVTN-GMTAPVOTSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665018 589509371 /nfs/dbraw/zinc/50/93/71/589509371.db2.gz BSLPVKVTZOTMEN-WYUUTHIRSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665018 589509375 /nfs/dbraw/zinc/50/93/75/589509375.db2.gz BSLPVKVTZOTMEN-WYUUTHIRSA-N 2 1 210.321 0.705 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866703672 589513556 /nfs/dbraw/zinc/51/35/56/589513556.db2.gz OAPNEHQAZLVALR-SNVBAGLBSA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+]CCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866704131 589513730 /nfs/dbraw/zinc/51/37/30/589513730.db2.gz QNQNFXKKILPQMQ-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704723 589513884 /nfs/dbraw/zinc/51/38/84/589513884.db2.gz XDOAQMJBUJKQSI-GHMZBOCLSA-N 2 1 230.377 0.647 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706443 589514663 /nfs/dbraw/zinc/51/46/63/589514663.db2.gz BSHYSZAXROSKDY-AXFHLTTASA-N 2 1 239.319 0.262 20 0 BCADMP CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707139 589514707 /nfs/dbraw/zinc/51/47/07/589514707.db2.gz GXKKQJXGGHQYNU-MXWKQRLJSA-N 2 1 239.319 0.263 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(N)=O)C1 ZINC000866706638 589514847 /nfs/dbraw/zinc/51/48/47/589514847.db2.gz JDTQCENDHQIUHK-LLVKDONJSA-N 2 1 213.325 0.169 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720358 589515102 /nfs/dbraw/zinc/51/51/02/589515102.db2.gz JTSAHPIZOZTHPB-QWHCGFSZSA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720358 589515104 /nfs/dbraw/zinc/51/51/04/589515104.db2.gz JTSAHPIZOZTHPB-QWHCGFSZSA-N 3 1 223.364 0.812 20 0 BCADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CC[NH3+] ZINC000867999222 589543023 /nfs/dbraw/zinc/54/30/23/589543023.db2.gz VYJNDRPDUGHWNK-GFCCVEGCSA-N 2 1 233.315 0.638 20 0 BCADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CC[NH3+] ZINC000867999222 589543024 /nfs/dbraw/zinc/54/30/24/589543024.db2.gz VYJNDRPDUGHWNK-GFCCVEGCSA-N 2 1 233.315 0.638 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870874138 589693577 /nfs/dbraw/zinc/69/35/77/589693577.db2.gz VCNASCVDFRSMKX-PHIMTYICSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000870892816 589695062 /nfs/dbraw/zinc/69/50/62/589695062.db2.gz MPHLRUYFWIARJI-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967191 589702782 /nfs/dbraw/zinc/70/27/82/589702782.db2.gz LJNDTMSRZVPTSV-AOOOYVTPSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980760 589704354 /nfs/dbraw/zinc/70/43/54/589704354.db2.gz BOIJITJJODSUFE-YFKTTZPYSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH3+])CC[C@@H]21 ZINC000870981582 589704449 /nfs/dbraw/zinc/70/44/49/589704449.db2.gz JMNYILXVKBHVBP-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980847 589704523 /nfs/dbraw/zinc/70/45/23/589704523.db2.gz CZYYWVFPBZAHOE-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000870981052 589704670 /nfs/dbraw/zinc/70/46/70/589704670.db2.gz FMFDSKMOAGJPCI-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982664 589705026 /nfs/dbraw/zinc/70/50/26/589705026.db2.gz OITBNNSUGFSMAR-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983066 589705343 /nfs/dbraw/zinc/70/53/43/589705343.db2.gz SIDKKOQXTOFJRI-GARJFASQSA-N 2 1 225.336 0.147 20 0 BCADMP COCCN(C)C(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000871608994 589775572 /nfs/dbraw/zinc/77/55/72/589775572.db2.gz RSNUXSFXERMNHR-UHFFFAOYSA-N 2 1 228.340 0.183 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872143559 589882998 /nfs/dbraw/zinc/88/29/98/589882998.db2.gz SREYIFYZPNHEML-GHMZBOCLSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872143559 589882999 /nfs/dbraw/zinc/88/29/99/589882999.db2.gz SREYIFYZPNHEML-GHMZBOCLSA-N 2 1 228.336 0.197 20 0 BCADMP COCC1([N@@H+](C)CCN2CC[NH2+]CC2)CCC1 ZINC000872156917 589885697 /nfs/dbraw/zinc/88/56/97/589885697.db2.gz DNJPNLLLPMXHPQ-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204361 589891745 /nfs/dbraw/zinc/89/17/45/589891745.db2.gz OUHSBDPRZYLEEP-IJLUTSLNSA-N 2 1 244.379 0.581 20 0 BCADMP COC(=O)CC(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873206808 589993611 /nfs/dbraw/zinc/99/36/11/589993611.db2.gz LLXWISSBIMDHIU-UHFFFAOYSA-N 2 1 226.320 0.670 20 0 BCADMP Nc1cnc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000873211307 589995749 /nfs/dbraw/zinc/99/57/49/589995749.db2.gz YEPCMIJCTBGVPG-VIFPVBQESA-N 2 1 221.308 0.148 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873214035 589996945 /nfs/dbraw/zinc/99/69/45/589996945.db2.gz VLEUUUWIBDPPPE-JGVFFNPUSA-N 2 1 209.297 0.274 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214004 589997357 /nfs/dbraw/zinc/99/73/57/589997357.db2.gz ULIXFOVPWOUTOK-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214004 589997358 /nfs/dbraw/zinc/99/73/58/589997358.db2.gz ULIXFOVPWOUTOK-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000192 /nfs/dbraw/zinc/00/01/92/590000192.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 1 247.346 0.585 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000873236161 590004872 /nfs/dbraw/zinc/00/48/72/590004872.db2.gz VIYMKUXBLJPBKG-SDDRHHMPSA-N 2 1 241.379 0.301 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000873253616 590009422 /nfs/dbraw/zinc/00/94/22/590009422.db2.gz BEDGFMGGTHTRSE-YFKTTZPYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000873253616 590009423 /nfs/dbraw/zinc/00/94/23/590009423.db2.gz BEDGFMGGTHTRSE-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000873255040 590010006 /nfs/dbraw/zinc/01/00/06/590010006.db2.gz DOJLAMDPNRNJCK-DDHJBXDOSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873255969 590011028 /nfs/dbraw/zinc/01/10/28/590011028.db2.gz KGLJNMWLYHXWJE-CYDGBPFRSA-N 3 1 223.364 0.940 20 0 BCADMP N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261879 590013947 /nfs/dbraw/zinc/01/39/47/590013947.db2.gz SMLUJTOCIMKKRB-MLGHIDQZSA-N 2 1 223.364 0.986 20 0 BCADMP C[N@H+]1CCCN(C(=O)CCCCC[NH3+])CC1 ZINC000020217833 590088847 /nfs/dbraw/zinc/08/88/47/590088847.db2.gz FWQHEYQVYHIZMJ-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874462404 590113906 /nfs/dbraw/zinc/11/39/06/590113906.db2.gz NZJKBUZYNQOCEQ-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC000874470816 590114182 /nfs/dbraw/zinc/11/41/82/590114182.db2.gz XTRKLMHKAPLGIA-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822164 590141287 /nfs/dbraw/zinc/14/12/87/590141287.db2.gz GKIBRNVPZUCDEM-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876732665 590234640 /nfs/dbraw/zinc/23/46/40/590234640.db2.gz CGNIGQKYXLSANW-HBNTYKKESA-N 2 1 243.326 0.144 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737456 590235403 /nfs/dbraw/zinc/23/54/03/590235403.db2.gz QWADFSUOYIZTLG-KOLCDFICSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876750521 590237636 /nfs/dbraw/zinc/23/76/36/590237636.db2.gz WFQUVVRKDIKVHO-MNOVXSKESA-N 2 1 241.379 0.816 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876806261 590244476 /nfs/dbraw/zinc/24/44/76/590244476.db2.gz MIUOTZGULWNZFF-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP CC1(C)[C@H](C(=O)NCC(F)(F)C[NH3+])C[C@@H]1[NH3+] ZINC000876808979 590245036 /nfs/dbraw/zinc/24/50/36/590245036.db2.gz OFHQPDSIMXBJIR-BQBZGAKWSA-N 2 1 235.278 0.070 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000876808981 590245052 /nfs/dbraw/zinc/24/50/52/590245052.db2.gz OFHQPDSIMXBJIR-RNFRBKRXSA-N 2 1 235.278 0.070 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876851196 590249327 /nfs/dbraw/zinc/24/93/27/590249327.db2.gz DLOJTLTWFULAOT-JGVFFNPUSA-N 2 1 235.278 0.050 20 0 BCADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCNC(=O)C1)C1CC1 ZINC000876949632 590259791 /nfs/dbraw/zinc/25/97/91/590259791.db2.gz TYRKLLXDGJRMRK-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876956279 590260995 /nfs/dbraw/zinc/26/09/95/590260995.db2.gz ITFKJRIRYUYEON-IJLUTSLNSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000877104710 590284573 /nfs/dbraw/zinc/28/45/73/590284573.db2.gz IHXFPWNGKRFVJJ-OPRDCNLKSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000877104708 590284580 /nfs/dbraw/zinc/28/45/80/590284580.db2.gz IHXFPWNGKRFVJJ-IVZWLZJFSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000877107445 590285898 /nfs/dbraw/zinc/28/58/98/590285898.db2.gz FRQJZJXFHURNDF-SNVBAGLBSA-N 2 1 229.368 0.770 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])CC[N@H+]1C ZINC000877109003 590286148 /nfs/dbraw/zinc/28/61/48/590286148.db2.gz YTYNNWXMIUTIFO-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877108153 590286224 /nfs/dbraw/zinc/28/62/24/590286224.db2.gz ONGHCUCSTZSGQT-SNVBAGLBSA-N 2 1 238.335 0.812 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@@H]21 ZINC000877248878 590303521 /nfs/dbraw/zinc/30/35/21/590303521.db2.gz FZRQFUUYMUCGKB-IEECTRCBSA-N 2 1 249.358 0.004 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000877249101 590303836 /nfs/dbraw/zinc/30/38/36/590303836.db2.gz HSRHTRMECMLYCI-FRRDWIJNSA-N 2 1 249.358 0.587 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000877250325 590304003 /nfs/dbraw/zinc/30/40/03/590304003.db2.gz PEGXUAWKFUXPFX-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272752 590305505 /nfs/dbraw/zinc/30/55/05/590305505.db2.gz KKAUODOUUZRORA-RYUDHWBXSA-N 2 1 248.330 0.544 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391044 590322041 /nfs/dbraw/zinc/32/20/41/590322041.db2.gz MAMONKIYHVSBKF-AAEUAGOBSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451501 590329764 /nfs/dbraw/zinc/32/97/64/590329764.db2.gz OTFKHKBOYUATMO-VWYCJHECSA-N 2 1 223.320 0.043 20 0 BCADMP CN(C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000878864804 590635366 /nfs/dbraw/zinc/63/53/66/590635366.db2.gz AJXFPTATBKYHGR-STQMWFEESA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000878864804 590635371 /nfs/dbraw/zinc/63/53/71/590635371.db2.gz AJXFPTATBKYHGR-STQMWFEESA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807086 /nfs/dbraw/zinc/80/70/86/590807086.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569372 590807561 /nfs/dbraw/zinc/80/75/61/590807561.db2.gz OCFUKNDQTHTECY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569372 590807564 /nfs/dbraw/zinc/80/75/64/590807564.db2.gz OCFUKNDQTHTECY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569372 590807571 /nfs/dbraw/zinc/80/75/71/590807571.db2.gz OCFUKNDQTHTECY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569372 590807573 /nfs/dbraw/zinc/80/75/73/590807573.db2.gz OCFUKNDQTHTECY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573568 590809148 /nfs/dbraw/zinc/80/91/48/590809148.db2.gz YVLTVLXNIAPHAE-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573568 590809150 /nfs/dbraw/zinc/80/91/50/590809150.db2.gz YVLTVLXNIAPHAE-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573568 590809153 /nfs/dbraw/zinc/80/91/53/590809153.db2.gz YVLTVLXNIAPHAE-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573568 590809154 /nfs/dbraw/zinc/80/91/54/590809154.db2.gz YVLTVLXNIAPHAE-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572283 590810370 /nfs/dbraw/zinc/81/03/70/590810370.db2.gz FYOSMPQFMAFJCV-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572283 590810374 /nfs/dbraw/zinc/81/03/74/590810374.db2.gz FYOSMPQFMAFJCV-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572283 590810378 /nfs/dbraw/zinc/81/03/78/590810378.db2.gz FYOSMPQFMAFJCV-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572283 590810381 /nfs/dbraw/zinc/81/03/81/590810381.db2.gz FYOSMPQFMAFJCV-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573655 590811749 /nfs/dbraw/zinc/81/17/49/590811749.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573655 590811751 /nfs/dbraw/zinc/81/17/51/590811751.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573655 590811753 /nfs/dbraw/zinc/81/17/53/590811753.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573771 590814682 /nfs/dbraw/zinc/81/46/82/590814682.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573771 590814688 /nfs/dbraw/zinc/81/46/88/590814688.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573771 590814691 /nfs/dbraw/zinc/81/46/91/590814691.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822354 /nfs/dbraw/zinc/82/23/54/590822354.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822360 /nfs/dbraw/zinc/82/23/60/590822360.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822364 /nfs/dbraw/zinc/82/23/64/590822364.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 2 1 224.348 0.783 20 0 BCADMP Cn1c[nH+]cc1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880492656 591070436 /nfs/dbraw/zinc/07/04/36/591070436.db2.gz UOUGUHNVHDBRBG-LLVKDONJSA-N 2 1 207.277 0.195 20 0 BCADMP Cn1c[nH+]cc1CC[N@H+]1CC=C[C@@H]1CO ZINC000880492656 591070440 /nfs/dbraw/zinc/07/04/40/591070440.db2.gz UOUGUHNVHDBRBG-LLVKDONJSA-N 2 1 207.277 0.195 20 0 BCADMP C[NH+](C)CCSC[C@H]1C[N@H+](C)CCO1 ZINC000566067788 631260654 /nfs/dbraw/zinc/26/06/54/631260654.db2.gz CVWVZWLRRVIHMB-SNVBAGLBSA-N 2 1 218.366 0.612 20 0 BCADMP C[NH+](C)CCSC[C@H]1C[N@@H+](C)CCO1 ZINC000566067788 631260661 /nfs/dbraw/zinc/26/06/61/631260661.db2.gz CVWVZWLRRVIHMB-SNVBAGLBSA-N 2 1 218.366 0.612 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000882486924 591363979 /nfs/dbraw/zinc/36/39/79/591363979.db2.gz YPZKLKKCSPWHQJ-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000214349075 591550057 /nfs/dbraw/zinc/55/00/57/591550057.db2.gz NHAJOYNDNATXMF-GQPNGRKGSA-N 2 1 245.754 0.526 20 0 BCADMP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](C3CC3)CC2)C1 ZINC000883423305 591658461 /nfs/dbraw/zinc/65/84/61/591658461.db2.gz IFEACOMOLOBYQZ-QWRGUYRKSA-N 2 1 227.327 0.466 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424436 591658840 /nfs/dbraw/zinc/65/88/40/591658840.db2.gz RYDKPTIHGVEXNR-AVGNSLFASA-N 2 1 243.370 0.960 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000883427629 591660949 /nfs/dbraw/zinc/66/09/49/591660949.db2.gz XECVPANAGQMPHY-SRVKXCTJSA-N 2 1 229.343 0.747 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000883427629 591660953 /nfs/dbraw/zinc/66/09/53/591660953.db2.gz XECVPANAGQMPHY-SRVKXCTJSA-N 2 1 229.343 0.747 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@H]21 ZINC000883438806 591667420 /nfs/dbraw/zinc/66/74/20/591667420.db2.gz CQDNSCUFRZWECS-ZDEQEGDKSA-N 2 1 241.354 0.712 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131957022 591679873 /nfs/dbraw/zinc/67/98/73/591679873.db2.gz OANWMBMSPDSKAU-QMMMGPOBSA-N 2 1 231.365 0.283 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000131957264 591680093 /nfs/dbraw/zinc/68/00/93/591680093.db2.gz OANWMBMSPDSKAU-MRVPVSSYSA-N 2 1 231.365 0.283 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884206779 591873214 /nfs/dbraw/zinc/87/32/14/591873214.db2.gz DUDPGMJNJLGBFP-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358335 591912473 /nfs/dbraw/zinc/91/24/73/591912473.db2.gz OZDOGFVPWOYYEJ-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[N@H+]1C ZINC000884361706 591914441 /nfs/dbraw/zinc/91/44/41/591914441.db2.gz XJKFJQOFRANMFX-GWOFURMSSA-N 2 1 239.363 0.569 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884366297 591917407 /nfs/dbraw/zinc/91/74/07/591917407.db2.gz XKAUOKFFPXJGJS-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1CC[C@@H](NC(=O)c2ncoc2C[NH3+])C[NH2+]1 ZINC000884438057 591934358 /nfs/dbraw/zinc/93/43/58/591934358.db2.gz UGEMMOPMRXRILJ-JGVFFNPUSA-N 2 1 238.291 0.004 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838321 592358166 /nfs/dbraw/zinc/35/81/66/592358166.db2.gz VJEKRDUEJNWNLJ-WNYYMSAVSA-N 2 1 210.321 0.835 20 0 BCADMP c1nnn2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000886858302 592369281 /nfs/dbraw/zinc/36/92/81/592369281.db2.gz VQEJROVNINQWAW-NSHDSACASA-N 2 1 235.335 0.483 20 0 BCADMP c1nnn2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CCC2 ZINC000886858301 592369651 /nfs/dbraw/zinc/36/96/51/592369651.db2.gz VQEJROVNINQWAW-LLVKDONJSA-N 2 1 235.335 0.483 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000886872336 592377206 /nfs/dbraw/zinc/37/72/06/592377206.db2.gz PVPCBUGVSISTTE-CYBMUJFWSA-N 2 1 249.362 0.744 20 0 BCADMP CCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000221875306 592455888 /nfs/dbraw/zinc/45/58/88/592455888.db2.gz YBKYYOTVMQBVEY-UHFFFAOYSA-N 2 1 200.330 0.851 20 0 BCADMP C[N@@H+](CCCF)CC(=O)NC1CC[NH+](C)CC1 ZINC000887142759 592458351 /nfs/dbraw/zinc/45/83/51/592458351.db2.gz YTYNAQFVZXQALA-UHFFFAOYSA-N 2 1 245.342 0.488 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887350185 592485330 /nfs/dbraw/zinc/48/53/30/592485330.db2.gz XYWMPPHNYPKZPD-SNVBAGLBSA-N 2 1 210.325 0.462 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887351304 592485337 /nfs/dbraw/zinc/48/53/37/592485337.db2.gz MIDPEMOMHCBCAD-UHFFFAOYSA-N 2 1 220.267 0.460 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887351304 592485338 /nfs/dbraw/zinc/48/53/38/592485338.db2.gz MIDPEMOMHCBCAD-UHFFFAOYSA-N 2 1 220.267 0.460 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887349800 592485354 /nfs/dbraw/zinc/48/53/54/592485354.db2.gz JJHFDXJUVRVBLE-LLVKDONJSA-N 2 1 224.352 0.852 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354028 592486878 /nfs/dbraw/zinc/48/68/78/592486878.db2.gz MZIPFCQACDICKI-LLVKDONJSA-N 2 1 224.352 0.852 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354029 592487044 /nfs/dbraw/zinc/48/70/44/592487044.db2.gz MZIPFCQACDICKI-NSHDSACASA-N 2 1 224.352 0.852 20 0 BCADMP C[C@@H]([NH3+])Cn1cc(C[NH+]2CCC(C)CC2)nn1 ZINC000887419530 592503942 /nfs/dbraw/zinc/50/39/42/592503942.db2.gz RYRWTGVBLNGEIM-LLVKDONJSA-N 2 1 237.351 0.857 20 0 BCADMP COC1CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300241771 592505717 /nfs/dbraw/zinc/50/57/17/592505717.db2.gz PGPZGXBIVMBABZ-MVKMKZAISA-N 2 1 240.347 0.617 20 0 BCADMP COC1CC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300241771 592505719 /nfs/dbraw/zinc/50/57/19/592505719.db2.gz PGPZGXBIVMBABZ-MVKMKZAISA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[N@H+]1C ZINC000302708633 592551988 /nfs/dbraw/zinc/55/19/88/592551988.db2.gz XNUOOYHIHAKRRA-USWWRNFRSA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+]CC1(CCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925703044 634379652 /nfs/dbraw/zinc/37/96/52/634379652.db2.gz SHMXBSAGPTXCHM-NSHDSACASA-N 2 1 223.364 0.990 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925703669 634381496 /nfs/dbraw/zinc/38/14/96/634381496.db2.gz AXBWEWGMQUMBEJ-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP CCS(=O)(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475089 634419145 /nfs/dbraw/zinc/41/91/45/634419145.db2.gz MVLZLBKIAKRACE-JTQLQIEISA-N 2 1 248.392 0.480 20 0 BCADMP COCCOCCOCC[NH+]1CCC([NH3+])CC1 ZINC000124897629 634436169 /nfs/dbraw/zinc/43/61/69/634436169.db2.gz JRBANHOGMWYFLF-UHFFFAOYSA-N 2 1 246.351 0.089 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257711174 634477677 /nfs/dbraw/zinc/47/76/77/634477677.db2.gz SXQKSAUOXSKPMD-VXGBXAGGSA-N 2 1 210.321 0.851 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000111828435 634535822 /nfs/dbraw/zinc/53/58/22/634535822.db2.gz UAFWHZFNGAUWFS-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433247 634541585 /nfs/dbraw/zinc/54/15/85/634541585.db2.gz HKPWMHUNBGWCML-CMPLNLGQSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433247 634541589 /nfs/dbraw/zinc/54/15/89/634541589.db2.gz HKPWMHUNBGWCML-CMPLNLGQSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925841230 635506632 /nfs/dbraw/zinc/50/66/32/635506632.db2.gz ZQFKKKJSTQAAJO-GARJFASQSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H]2CCC[C@@H]21 ZINC000925859217 635554086 /nfs/dbraw/zinc/55/40/86/635554086.db2.gz GGQOSDDEPYNHRY-WYUUTHIRSA-N 2 1 225.336 0.352 20 0 BCADMP C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735722 631558187 /nfs/dbraw/zinc/55/81/87/631558187.db2.gz ZUYYQPGKNOMMSW-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735722 631558193 /nfs/dbraw/zinc/55/81/93/631558193.db2.gz ZUYYQPGKNOMMSW-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP OC[C@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@@H]1CO ZINC000934016095 631609465 /nfs/dbraw/zinc/60/94/65/631609465.db2.gz DYPOZGMMIXEUJK-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308806108 631667093 /nfs/dbraw/zinc/66/70/93/631667093.db2.gz FYVGARYRHKBILL-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004787 631903501 /nfs/dbraw/zinc/90/35/01/631903501.db2.gz ZUGSSHGJPPXZJF-GHMZBOCLSA-N 2 1 242.367 0.477 20 0 BCADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919349 632012866 /nfs/dbraw/zinc/01/28/66/632012866.db2.gz PDZKJNWWGRMZTC-GFCCVEGCSA-N 2 1 241.379 0.819 20 0 BCADMP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308871924 632037410 /nfs/dbraw/zinc/03/74/10/632037410.db2.gz SOVNNGKIXRGCRD-GHMZBOCLSA-N 2 1 218.341 0.048 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086456 632125164 /nfs/dbraw/zinc/12/51/64/632125164.db2.gz MPXPXBBDCWSFCU-SDDRHHMPSA-N 2 1 239.363 0.583 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780127 632449357 /nfs/dbraw/zinc/44/93/57/632449357.db2.gz OZLZMOJIMVOWRD-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310271051 632712765 /nfs/dbraw/zinc/71/27/65/632712765.db2.gz SUNUMUCTTDTFTE-ZYHUDNBSSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC[NH+](C)CC1 ZINC000310338239 632725033 /nfs/dbraw/zinc/72/50/33/632725033.db2.gz LVWWWHMMRFCYDK-ZYHUDNBSSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310460380 632743922 /nfs/dbraw/zinc/74/39/22/632743922.db2.gz FCDHHMHGPFMYQV-NEPJUHHUSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310460380 632743925 /nfs/dbraw/zinc/74/39/25/632743925.db2.gz FCDHHMHGPFMYQV-NEPJUHHUSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000310460380 632743928 /nfs/dbraw/zinc/74/39/28/632743928.db2.gz FCDHHMHGPFMYQV-NEPJUHHUSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000310460380 632743933 /nfs/dbraw/zinc/74/39/33/632743933.db2.gz FCDHHMHGPFMYQV-NEPJUHHUSA-N 2 1 244.379 0.533 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310489822 632749012 /nfs/dbraw/zinc/74/90/12/632749012.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310489822 632749016 /nfs/dbraw/zinc/74/90/16/632749016.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310489822 632749020 /nfs/dbraw/zinc/74/90/20/632749020.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 2 1 240.347 0.823 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310504160 632750502 /nfs/dbraw/zinc/75/05/02/632750502.db2.gz ITEDKQZWZCANMU-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310504160 632750506 /nfs/dbraw/zinc/75/05/06/632750506.db2.gz ITEDKQZWZCANMU-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000310504160 632750509 /nfs/dbraw/zinc/75/05/09/632750509.db2.gz ITEDKQZWZCANMU-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000310504160 632750513 /nfs/dbraw/zinc/75/05/13/632750513.db2.gz ITEDKQZWZCANMU-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP C1=CC[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC000310557889 632757811 /nfs/dbraw/zinc/75/78/11/632757811.db2.gz IWXHTNBWSRBZIY-OKILXGFUSA-N 2 1 235.375 0.790 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000052043023 632781758 /nfs/dbraw/zinc/78/17/58/632781758.db2.gz RZELSRWLSCWOEK-VIFPVBQESA-N 2 1 200.330 0.706 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)CCF ZINC000926655336 632778301 /nfs/dbraw/zinc/77/83/01/632778301.db2.gz MDKLOYHBASBLSP-FBTJUVTCSA-N 2 1 230.327 0.637 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924990802 635827990 /nfs/dbraw/zinc/82/79/90/635827990.db2.gz BLGJCAFSJHESQL-MXWKQRLJSA-N 2 1 230.352 0.170 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000928429999 635913307 /nfs/dbraw/zinc/91/33/07/635913307.db2.gz FAWKZRDLHGACPA-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000928429999 635913309 /nfs/dbraw/zinc/91/33/09/635913309.db2.gz FAWKZRDLHGACPA-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000928429999 635913314 /nfs/dbraw/zinc/91/33/14/635913314.db2.gz FAWKZRDLHGACPA-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC000928432223 635916423 /nfs/dbraw/zinc/91/64/23/635916423.db2.gz CNWHDPLHVZUMJC-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000928432223 635916424 /nfs/dbraw/zinc/91/64/24/635916424.db2.gz CNWHDPLHVZUMJC-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000928432223 635916427 /nfs/dbraw/zinc/91/64/27/635916427.db2.gz CNWHDPLHVZUMJC-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000928432312 635920018 /nfs/dbraw/zinc/92/00/18/635920018.db2.gz DVFHLNCBBCDKIS-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000928432312 635920021 /nfs/dbraw/zinc/92/00/21/635920021.db2.gz DVFHLNCBBCDKIS-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)[N@@H+](C)C1CC1 ZINC000310190351 636005184 /nfs/dbraw/zinc/00/51/84/636005184.db2.gz XSKJDSJIUARBSK-BXKDBHETSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000928559441 636102580 /nfs/dbraw/zinc/10/25/80/636102580.db2.gz MRDRQGAXQDIFIU-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000928559441 636102583 /nfs/dbraw/zinc/10/25/83/636102583.db2.gz MRDRQGAXQDIFIU-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000928559441 636102587 /nfs/dbraw/zinc/10/25/87/636102587.db2.gz MRDRQGAXQDIFIU-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000928559441 636102592 /nfs/dbraw/zinc/10/25/92/636102592.db2.gz MRDRQGAXQDIFIU-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000928554593 636091072 /nfs/dbraw/zinc/09/10/72/636091072.db2.gz QSCXPRBHUNHFNH-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000928554593 636091077 /nfs/dbraw/zinc/09/10/77/636091077.db2.gz QSCXPRBHUNHFNH-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000928554593 636091080 /nfs/dbraw/zinc/09/10/80/636091080.db2.gz QSCXPRBHUNHFNH-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000928559442 636103154 /nfs/dbraw/zinc/10/31/54/636103154.db2.gz MRDRQGAXQDIFIU-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000928559442 636103157 /nfs/dbraw/zinc/10/31/57/636103157.db2.gz MRDRQGAXQDIFIU-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000928559442 636103159 /nfs/dbraw/zinc/10/31/59/636103159.db2.gz MRDRQGAXQDIFIU-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000928559442 636103163 /nfs/dbraw/zinc/10/31/63/636103163.db2.gz MRDRQGAXQDIFIU-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000928558529 636100238 /nfs/dbraw/zinc/10/02/38/636100238.db2.gz WZUJKZMEBMROMG-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000928558529 636100245 /nfs/dbraw/zinc/10/02/45/636100245.db2.gz WZUJKZMEBMROMG-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000928558529 636100249 /nfs/dbraw/zinc/10/02/49/636100249.db2.gz WZUJKZMEBMROMG-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000928558529 636100252 /nfs/dbraw/zinc/10/02/52/636100252.db2.gz WZUJKZMEBMROMG-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP CCOC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328411947 633763377 /nfs/dbraw/zinc/76/33/77/633763377.db2.gz GTXMNICKSRJUPJ-RJRAAQABSA-N 2 1 224.348 0.997 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328456434 633765678 /nfs/dbraw/zinc/76/56/78/633765678.db2.gz RNWSOMXWKKHEDC-IFGRULIISA-N 2 1 210.321 0.343 20 0 BCADMP Cn1nccc1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328463851 633767643 /nfs/dbraw/zinc/76/76/43/633767643.db2.gz WEZYKFSGEZXWOW-KYYPQDQFSA-N 2 1 246.358 0.549 20 0 BCADMP CC[C@H](COC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328464850 633769322 /nfs/dbraw/zinc/76/93/22/633769322.db2.gz WPNKDLQAJYLRBC-JSAZDUPASA-N 2 1 224.348 0.997 20 0 BCADMP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328556379 633776203 /nfs/dbraw/zinc/77/62/03/633776203.db2.gz AGRGWTDOZABGIC-ASHHDVGLSA-N 2 1 222.332 0.751 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020029043 633805909 /nfs/dbraw/zinc/80/59/09/633805909.db2.gz RXRQHRWFTQUMRT-SRVKXCTJSA-N 2 1 239.363 0.726 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCC1=O ZINC000925509204 633847716 /nfs/dbraw/zinc/84/77/16/633847716.db2.gz MEGZLNORFOWZJE-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000309982518 634024373 /nfs/dbraw/zinc/02/43/73/634024373.db2.gz CHNTTXHAFYOESP-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558326 634032969 /nfs/dbraw/zinc/03/29/69/634032969.db2.gz SYWWMOKYMBSRQO-VXGBXAGGSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H]([NH2+]Cc1nnn(C)n1)C1CC[NH+](C)CC1 ZINC000396479293 634040857 /nfs/dbraw/zinc/04/08/57/634040857.db2.gz ZLICXEKTGJMNCB-VIFPVBQESA-N 2 1 238.339 0.030 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925586610 634093741 /nfs/dbraw/zinc/09/37/41/634093741.db2.gz ZYAYIGXYNYHEFX-PWSUYJOCSA-N 2 1 234.347 0.997 20 0 BCADMP C[C@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310043652 634109557 /nfs/dbraw/zinc/10/95/57/634109557.db2.gz XJABPHNFPSHPRO-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000925601085 634125958 /nfs/dbraw/zinc/12/59/58/634125958.db2.gz JJEISOHIRIWPGB-VIFPVBQESA-N 2 1 225.336 0.372 20 0 BCADMP CN(C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607170 634136948 /nfs/dbraw/zinc/13/69/48/634136948.db2.gz AGJFSFKJSVRZBM-GRYCIOLGSA-N 2 1 243.395 0.405 20 0 BCADMP CN(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607172 634137181 /nfs/dbraw/zinc/13/71/81/634137181.db2.gz AGJFSFKJSVRZBM-QJPTWQEYSA-N 2 1 243.395 0.405 20 0 BCADMP O[C@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552625 634160769 /nfs/dbraw/zinc/16/07/69/634160769.db2.gz VANFEJNNSSRBGM-CHWSQXEVSA-N 2 1 242.363 0.194 20 0 BCADMP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925617788 634166616 /nfs/dbraw/zinc/16/66/16/634166616.db2.gz SLASMLDYIMAXMH-SNVBAGLBSA-N 2 1 212.337 0.879 20 0 BCADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925694632 634333965 /nfs/dbraw/zinc/33/39/65/634333965.db2.gz VOXJLRSLIZMRSN-AXFHLTTASA-N 2 1 210.321 0.774 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699978 634369179 /nfs/dbraw/zinc/36/91/79/634369179.db2.gz QTHSEVWPWKESRL-ZYHUDNBSSA-N 2 1 209.337 0.636 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699978 634369183 /nfs/dbraw/zinc/36/91/83/634369183.db2.gz QTHSEVWPWKESRL-ZYHUDNBSSA-N 3 1 209.337 0.636 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925786003 635302229 /nfs/dbraw/zinc/30/22/29/635302229.db2.gz MWINXCOFMZOOAK-VOAKCMCISA-N 3 1 241.379 0.199 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925790320 635316937 /nfs/dbraw/zinc/31/69/37/635316937.db2.gz GYVNINCFIKMLDB-VWYCJHECSA-N 2 1 222.336 0.926 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925894515 635620398 /nfs/dbraw/zinc/62/03/98/635620398.db2.gz ZLCZXVIRBSHMTR-HBNTYKKESA-N 2 1 249.362 0.403 20 0 BCADMP CC[N@@H+](CCS(C)(=O)=O)CC1CC[NH2+]CC1 ZINC000086703173 636887738 /nfs/dbraw/zinc/88/77/38/636887738.db2.gz HJOYJPMAJGYAKK-UHFFFAOYSA-N 2 1 248.392 0.353 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)C[NH+](C)C ZINC000926962725 636973829 /nfs/dbraw/zinc/97/38/29/636973829.db2.gz LQFQVPMWRLVKFH-FDYHWXHSSA-N 2 1 244.379 0.966 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C[NH+](C)C ZINC000926966213 636976453 /nfs/dbraw/zinc/97/64/53/636976453.db2.gz WACPCKVVRTXECW-SDDRHHMPSA-N 2 1 232.368 0.966 20 0 BCADMP CCO[C@@H](C[NH2+][C@@H](COC)C1CC1)C[NH+](C)C ZINC000926961191 636973907 /nfs/dbraw/zinc/97/39/07/636973907.db2.gz IFRYEURYYCRWOI-STQMWFEESA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)[C@H](C)OC)C[NH+](C)C ZINC000926966209 636975899 /nfs/dbraw/zinc/97/58/99/636975899.db2.gz WACPCKVVRTXECW-GRYCIOLGSA-N 2 1 232.368 0.966 20 0 BCADMP CCO[C@@H](C[NH2+][C@H]1CCCOC1)C[NH+](C)C ZINC000926967000 636976303 /nfs/dbraw/zinc/97/63/03/636976303.db2.gz ZEVZIVSQBUXBLN-RYUDHWBXSA-N 2 1 230.352 0.722 20 0 BCADMP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000924654095 636977572 /nfs/dbraw/zinc/97/75/72/636977572.db2.gz OZMNWPAOMLGCOL-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COCCO1 ZINC000924723857 637036314 /nfs/dbraw/zinc/03/63/14/637036314.db2.gz MPKMIVVJGYHLOG-DAAZQVBGSA-N 2 1 240.347 0.332 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273367 637098045 /nfs/dbraw/zinc/09/80/45/637098045.db2.gz FYAYVWAYJYEFRF-OLZOCXBDSA-N 2 1 244.379 0.827 20 0 BCADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000042543899 637280796 /nfs/dbraw/zinc/28/07/96/637280796.db2.gz SCLIBCJPGXYPDB-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP NOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902419627 637303256 /nfs/dbraw/zinc/30/32/56/637303256.db2.gz RZXKMBWWZLTMBI-MNOVXSKESA-N 2 1 213.325 0.483 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@@H]1CC[NH2+]C1 ZINC000903577246 637374439 /nfs/dbraw/zinc/37/44/39/637374439.db2.gz HMMYQOZMBQWFBF-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463688 637363881 /nfs/dbraw/zinc/36/38/81/637363881.db2.gz JBBKWMBNDFUGEJ-JFGNBEQYSA-N 2 1 246.326 0.995 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000903463657 637364721 /nfs/dbraw/zinc/36/47/21/637364721.db2.gz IHRQFWXCDYLRRQ-MROQNXINSA-N 2 1 224.348 0.810 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000903463660 637365057 /nfs/dbraw/zinc/36/50/57/637365057.db2.gz IHRQFWXCDYLRRQ-YVECIDJPSA-N 2 1 224.348 0.810 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722132 637379645 /nfs/dbraw/zinc/37/96/45/637379645.db2.gz HLJCYTUZOOVBPV-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722132 637379647 /nfs/dbraw/zinc/37/96/47/637379647.db2.gz HLJCYTUZOOVBPV-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP COCCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726200 637379840 /nfs/dbraw/zinc/37/98/40/637379840.db2.gz KMPFCEJQRFIUOK-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722884 637379912 /nfs/dbraw/zinc/37/99/12/637379912.db2.gz FCKABJYDNAMZSL-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903788587 637381258 /nfs/dbraw/zinc/38/12/58/637381258.db2.gz OHKJPCYZMRQVBR-WDEREUQCSA-N 2 1 230.352 0.565 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429473 637397482 /nfs/dbraw/zinc/39/74/82/637397482.db2.gz ITBLWIOGOHPZJV-FRRDWIJNSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429473 637397486 /nfs/dbraw/zinc/39/74/86/637397486.db2.gz ITBLWIOGOHPZJV-FRRDWIJNSA-N 3 1 223.364 0.942 20 0 BCADMP C[C@]1(C[NH2+]Cc2cncc(O)c2)CC[NH2+]C1 ZINC000904433999 637400998 /nfs/dbraw/zinc/40/09/98/637400998.db2.gz SBDKRYWWIFMVAY-LBPRGKRZSA-N 2 1 221.304 0.876 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000904469467 637423326 /nfs/dbraw/zinc/42/33/26/637423326.db2.gz MZJJPNHYOCZPJZ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+](C)C ZINC000905042656 637561663 /nfs/dbraw/zinc/56/16/63/637561663.db2.gz PWBZQJIEEHQUJF-VHSXEESVSA-N 2 1 244.408 0.946 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000905059879 637591870 /nfs/dbraw/zinc/59/18/70/637591870.db2.gz XXUIVLIGNUKOKH-SECBINFHSA-N 2 1 211.313 0.466 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000905059879 637591872 /nfs/dbraw/zinc/59/18/72/637591872.db2.gz XXUIVLIGNUKOKH-SECBINFHSA-N 2 1 211.313 0.466 20 0 BCADMP [NH3+]C1(c2noc(CC[C@H]3CC[NH2+]C3)n2)CC1 ZINC000905323561 637746866 /nfs/dbraw/zinc/74/68/66/637746866.db2.gz DSZVMXJXEMKUJW-QMMMGPOBSA-N 2 1 222.292 0.560 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905323655 637748759 /nfs/dbraw/zinc/74/87/59/637748759.db2.gz HELOCCCJSYTLSK-HTQZYQBOSA-N 2 1 222.292 0.873 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+](C)C ZINC000905580747 637853932 /nfs/dbraw/zinc/85/39/32/637853932.db2.gz PHNIBFMCJFRGEI-NWDGAFQWSA-N 2 1 230.352 0.314 20 0 BCADMP CCC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905585703 637855511 /nfs/dbraw/zinc/85/55/11/637855511.db2.gz AITSJCNQWVXHOD-CHWSQXEVSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905585703 637855514 /nfs/dbraw/zinc/85/55/14/637855514.db2.gz AITSJCNQWVXHOD-CHWSQXEVSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H]1[C@@H](NC(=S)NCC[NH+](C)C)CC[N@H+]1C ZINC000905647636 637881753 /nfs/dbraw/zinc/88/17/53/637881753.db2.gz KPRJWYSWZNZELS-ZJUUUORDSA-N 2 1 244.408 0.105 20 0 BCADMP C[C@@H]1[C@H](NC(=S)NCC[NH+](C)C)CC[N@H+]1C ZINC000905647630 637882362 /nfs/dbraw/zinc/88/23/62/637882362.db2.gz KPRJWYSWZNZELS-NXEZZACHSA-N 2 1 244.408 0.105 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000905689486 637884052 /nfs/dbraw/zinc/88/40/52/637884052.db2.gz ARWXIABBWKRXAE-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000905689486 637884057 /nfs/dbraw/zinc/88/40/57/637884057.db2.gz ARWXIABBWKRXAE-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP COC(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)[nH]1 ZINC000906510037 638181853 /nfs/dbraw/zinc/18/18/53/638181853.db2.gz LKIJZVHAEZBBNX-UHFFFAOYSA-N 2 1 223.276 0.381 20 0 BCADMP C[C@H](O)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906517603 638186724 /nfs/dbraw/zinc/18/67/24/638186724.db2.gz IMELDRJIZSPPTI-FXQIFTODSA-N 2 1 227.333 0.776 20 0 BCADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)[nH]1 ZINC000906517274 638188647 /nfs/dbraw/zinc/18/86/47/638188647.db2.gz LKIJZVHAEZBBNX-XWEPSHTISA-N 2 1 223.276 0.381 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)C12CC[NH+](CC1)C2 ZINC000907888684 638500349 /nfs/dbraw/zinc/50/03/49/638500349.db2.gz XTKUBEKPKMMFJR-UHFFFAOYSA-N 2 1 249.358 0.460 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908012081 638547637 /nfs/dbraw/zinc/54/76/37/638547637.db2.gz LWFSFPWANRHKDV-UHFFFAOYSA-N 2 1 236.319 0.400 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000908349728 638660715 /nfs/dbraw/zinc/66/07/15/638660715.db2.gz SSPBDLUECQIRPY-SRVKXCTJSA-N 2 1 239.363 0.489 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000908349729 638662431 /nfs/dbraw/zinc/66/24/31/638662431.db2.gz SSPBDLUECQIRPY-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH3+] ZINC000911647492 639702616 /nfs/dbraw/zinc/70/26/16/639702616.db2.gz DIBLJYSNGNRBRO-SNVBAGLBSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)CC2 ZINC000911652144 639707712 /nfs/dbraw/zinc/70/77/12/639707712.db2.gz KBXUTAWWLFCHHZ-GHMZBOCLSA-N 2 1 248.330 0.314 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674991 639715426 /nfs/dbraw/zinc/71/54/26/639715426.db2.gz ZGGXQDVMQGWLSU-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911675753 639716464 /nfs/dbraw/zinc/71/64/64/639716464.db2.gz FJCJIOCNLAKUQQ-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000911696594 639730700 /nfs/dbraw/zinc/73/07/00/639730700.db2.gz XCMISXJZOZPTBX-WDEREUQCSA-N 2 1 248.330 0.232 20 0 BCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000911696586 639731376 /nfs/dbraw/zinc/73/13/76/639731376.db2.gz XCMISXJZOZPTBX-GHMZBOCLSA-N 2 1 248.330 0.232 20 0 BCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)CC2 ZINC000911729825 639751249 /nfs/dbraw/zinc/75/12/49/639751249.db2.gz KBXUTAWWLFCHHZ-QWRGUYRKSA-N 2 1 248.330 0.314 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000911740601 639769259 /nfs/dbraw/zinc/76/92/59/639769259.db2.gz MPJXNTGMLBSXBW-WDEREUQCSA-N 2 1 227.352 0.713 20 0 BCADMP C[NH2+]CCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000911749251 639775050 /nfs/dbraw/zinc/77/50/50/639775050.db2.gz ZUJOWBIGICDPQN-LURJTMIESA-N 2 1 228.321 0.112 20 0 BCADMP CC[NH2+]CCNC(=O)c1nc(C[NH3+])sc1C ZINC000911751612 639779234 /nfs/dbraw/zinc/77/92/34/639779234.db2.gz NATBNYXFEFETKU-UHFFFAOYSA-N 2 1 242.348 0.250 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000930543813 639808400 /nfs/dbraw/zinc/80/84/00/639808400.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2CCN(C[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000930543813 639808401 /nfs/dbraw/zinc/80/84/01/639808401.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2CCN(C[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000930543813 639808403 /nfs/dbraw/zinc/80/84/03/639808403.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 2 1 223.364 0.717 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930577797 639813172 /nfs/dbraw/zinc/81/31/72/639813172.db2.gz OFOVRHAIKCACLN-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP CC[C@H](CO)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930612961 639820507 /nfs/dbraw/zinc/82/05/07/639820507.db2.gz BNSDPPPCHZSYDT-GFCCVEGCSA-N 2 1 244.379 0.582 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)c1cnc(C[NH3+])s1 ZINC000911828788 639840902 /nfs/dbraw/zinc/84/09/02/639840902.db2.gz CITSGOPWKFILGC-ZETCQYMHSA-N 2 1 242.348 0.315 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)c1cnc(C[NH3+])s1 ZINC000911828787 639841227 /nfs/dbraw/zinc/84/12/27/639841227.db2.gz CITSGOPWKFILGC-SSDOTTSWSA-N 2 1 242.348 0.315 20 0 BCADMP C[C@H]([NH3+])c1nc(C(=O)NCC(C)(C)[NH3+])cs1 ZINC000911847441 639856289 /nfs/dbraw/zinc/85/62/89/639856289.db2.gz WQIIOWRMGHYXKM-LURJTMIESA-N 2 1 242.348 0.630 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOC2CC2)C1 ZINC000930904972 639977929 /nfs/dbraw/zinc/97/79/29/639977929.db2.gz XKGHYFAQMAIXEA-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOC2CC2)C1 ZINC000930904972 639977933 /nfs/dbraw/zinc/97/79/33/639977933.db2.gz XKGHYFAQMAIXEA-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP CC[C@H](CO)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902972 639978547 /nfs/dbraw/zinc/97/85/47/639978547.db2.gz FIDRRUVVNBLLFZ-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](CO)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902972 639978550 /nfs/dbraw/zinc/97/85/50/639978550.db2.gz FIDRRUVVNBLLFZ-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931067586 640055446 /nfs/dbraw/zinc/05/54/46/640055446.db2.gz QTVNLFVLRMVELC-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931067586 640055452 /nfs/dbraw/zinc/05/54/52/640055452.db2.gz QTVNLFVLRMVELC-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000931277051 640125693 /nfs/dbraw/zinc/12/56/93/640125693.db2.gz GVDTVAOLUMXRCJ-NDBYEHHHSA-N 2 1 223.364 0.572 20 0 BCADMP COCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280285 640133524 /nfs/dbraw/zinc/13/35/24/640133524.db2.gz WDHWGSATDSHZTA-WYUUTHIRSA-N 2 1 212.337 0.903 20 0 BCADMP COCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280285 640133537 /nfs/dbraw/zinc/13/35/37/640133537.db2.gz WDHWGSATDSHZTA-WYUUTHIRSA-N 2 1 212.337 0.903 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313296 640149534 /nfs/dbraw/zinc/14/95/34/640149534.db2.gz AHGMQSXKCQNCLS-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313296 640149537 /nfs/dbraw/zinc/14/95/37/640149537.db2.gz AHGMQSXKCQNCLS-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931313296 640149544 /nfs/dbraw/zinc/14/95/44/640149544.db2.gz AHGMQSXKCQNCLS-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931313296 640149549 /nfs/dbraw/zinc/14/95/49/640149549.db2.gz AHGMQSXKCQNCLS-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000931355557 640166825 /nfs/dbraw/zinc/16/68/25/640166825.db2.gz RFLAIDZRQQAULV-LBPRGKRZSA-N 2 1 242.363 0.818 20 0 BCADMP CCNC(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350422 640167642 /nfs/dbraw/zinc/16/76/42/640167642.db2.gz JVOMYUJPLJPXKF-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CO[C@@H](C)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436038 640201622 /nfs/dbraw/zinc/20/16/22/640201622.db2.gz JZBDYXNRHJQAQH-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP CO[C@@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436038 640201624 /nfs/dbraw/zinc/20/16/24/640201624.db2.gz JZBDYXNRHJQAQH-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP CO[C@@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436038 640201626 /nfs/dbraw/zinc/20/16/26/640201626.db2.gz JZBDYXNRHJQAQH-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433579 640203237 /nfs/dbraw/zinc/20/32/37/640203237.db2.gz CSIQCXWFCGKTDU-VWYCJHECSA-N 2 1 224.304 0.185 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433579 640203242 /nfs/dbraw/zinc/20/32/42/640203242.db2.gz CSIQCXWFCGKTDU-VWYCJHECSA-N 2 1 224.304 0.185 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433579 640203246 /nfs/dbraw/zinc/20/32/46/640203246.db2.gz CSIQCXWFCGKTDU-VWYCJHECSA-N 2 1 224.304 0.185 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1 ZINC000931441451 640205607 /nfs/dbraw/zinc/20/56/07/640205607.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 2 1 249.362 0.241 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)nn1 ZINC000931441451 640205608 /nfs/dbraw/zinc/20/56/08/640205608.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 2 1 249.362 0.241 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)nn1 ZINC000931441451 640205609 /nfs/dbraw/zinc/20/56/09/640205609.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 2 1 249.362 0.241 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917663 640241931 /nfs/dbraw/zinc/24/19/31/640241931.db2.gz LEIWJVAMEUETQD-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000044646679 640445283 /nfs/dbraw/zinc/44/52/83/640445283.db2.gz UMZUJSCZQLLVQL-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP O=C(C[NH2+]CC1CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726838 640462497 /nfs/dbraw/zinc/46/24/97/640462497.db2.gz PFJGARKZIVLQFH-NSHDSACASA-N 2 1 237.347 0.339 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000225865624 640713683 /nfs/dbraw/zinc/71/36/83/640713683.db2.gz FFEIRZRZWPLYPF-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167517237 640726039 /nfs/dbraw/zinc/72/60/39/640726039.db2.gz IUXYTMNLPSZOGO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732516 640754658 /nfs/dbraw/zinc/75/46/58/640754658.db2.gz LEPIXRLKVSKWCN-USWWRNFRSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732516 640754662 /nfs/dbraw/zinc/75/46/62/640754662.db2.gz LEPIXRLKVSKWCN-USWWRNFRSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732516 640754667 /nfs/dbraw/zinc/75/46/67/640754667.db2.gz LEPIXRLKVSKWCN-USWWRNFRSA-N 2 1 248.317 0.886 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757438 /nfs/dbraw/zinc/75/74/38/640757438.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 2 1 249.362 0.241 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757442 /nfs/dbraw/zinc/75/74/42/640757442.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 2 1 249.362 0.241 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757450 /nfs/dbraw/zinc/75/74/50/640757450.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 2 1 249.362 0.241 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757456 /nfs/dbraw/zinc/75/74/56/640757456.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 2 1 249.362 0.241 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399002 640759605 /nfs/dbraw/zinc/75/96/05/640759605.db2.gz HHLRZKMYBHUVNT-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP Cn1cc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000226418905 640762140 /nfs/dbraw/zinc/76/21/40/640762140.db2.gz GHTYUNYKNGBOCM-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC000158109923 640806154 /nfs/dbraw/zinc/80/61/54/640806154.db2.gz GQXVTZVLTGISIL-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227067847 640813946 /nfs/dbraw/zinc/81/39/46/640813946.db2.gz WQHJFOOVSQJNNV-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000723032404 711496248 /nfs/dbraw/zinc/49/62/48/711496248.db2.gz LDFZTECUQOVUFR-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532297 640878482 /nfs/dbraw/zinc/87/84/82/640878482.db2.gz XTSSTOLYHNXFKC-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545092 640879705 /nfs/dbraw/zinc/87/97/05/640879705.db2.gz CXXKQRFHVIBSDX-QJPTWQEYSA-N 2 1 234.347 0.979 20 0 BCADMP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545092 640879709 /nfs/dbraw/zinc/87/97/09/640879709.db2.gz CXXKQRFHVIBSDX-QJPTWQEYSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256779 640939683 /nfs/dbraw/zinc/93/96/83/640939683.db2.gz MBXBAMCLOBOTPZ-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258751 640939990 /nfs/dbraw/zinc/93/99/90/640939990.db2.gz KYDKPLFQBHZYEK-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258105 640940176 /nfs/dbraw/zinc/94/01/76/640940176.db2.gz SIAQTAXSOSOAFQ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000723032404 711496245 /nfs/dbraw/zinc/49/62/45/711496245.db2.gz LDFZTECUQOVUFR-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000230063712 641011345 /nfs/dbraw/zinc/01/13/45/641011345.db2.gz XQIGCUQMWZELHN-CABZTGNLSA-N 2 1 239.363 0.713 20 0 BCADMP CO[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000230315863 641047079 /nfs/dbraw/zinc/04/70/79/641047079.db2.gz HTKCLJAPZHEWCZ-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP COC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121085 641134762 /nfs/dbraw/zinc/13/47/62/641134762.db2.gz YRSCFKYBFXVGQX-SNVBAGLBSA-N 2 1 228.336 0.822 20 0 BCADMP COC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121085 641134764 /nfs/dbraw/zinc/13/47/64/641134764.db2.gz YRSCFKYBFXVGQX-SNVBAGLBSA-N 2 1 228.336 0.822 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121317 641135267 /nfs/dbraw/zinc/13/52/67/641135267.db2.gz KLQVBDPJFVJQGQ-SNVBAGLBSA-N 2 1 200.326 0.641 20 0 BCADMP CCS(=O)(=O)CC[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166229 641141420 /nfs/dbraw/zinc/14/14/20/641141420.db2.gz ZNRQTHUMNUBKNX-UHFFFAOYSA-N 2 1 248.392 0.353 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307930548 641195451 /nfs/dbraw/zinc/19/54/51/641195451.db2.gz BHOGBDRTFIGQOA-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307930548 641195453 /nfs/dbraw/zinc/19/54/53/641195453.db2.gz BHOGBDRTFIGQOA-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307945406 641197742 /nfs/dbraw/zinc/19/77/42/641197742.db2.gz YZGZZTLUHWYYPT-IUCAKERBSA-N 2 1 240.269 0.841 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307945406 641197744 /nfs/dbraw/zinc/19/77/44/641197744.db2.gz YZGZZTLUHWYYPT-IUCAKERBSA-N 2 1 240.269 0.841 20 0 BCADMP C[N@H+](C[C@H](O)CC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000307942727 641197807 /nfs/dbraw/zinc/19/78/07/641197807.db2.gz PZXZMEXDEIGDDU-RKDXNWHRSA-N 2 1 240.269 0.969 20 0 BCADMP C[N@@H+](C[C@H](O)CC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000307942727 641197813 /nfs/dbraw/zinc/19/78/13/641197813.db2.gz PZXZMEXDEIGDDU-RKDXNWHRSA-N 2 1 240.269 0.969 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307943015 641198552 /nfs/dbraw/zinc/19/85/52/641198552.db2.gz QVVPKYPKTRISSR-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000231844266 641207131 /nfs/dbraw/zinc/20/71/31/641207131.db2.gz VREWXRHMEIZWRI-WOPDTQHZSA-N 2 1 241.379 0.973 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@H]21 ZINC000913760939 641468331 /nfs/dbraw/zinc/46/83/31/641468331.db2.gz UJWGLDYEHQOEMF-CMPLNLGQSA-N 2 1 248.330 0.505 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)O)C1 ZINC000929782575 641542000 /nfs/dbraw/zinc/54/20/00/641542000.db2.gz XFUZHJKVDAWVAQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929782575 641542007 /nfs/dbraw/zinc/54/20/07/641542007.db2.gz XFUZHJKVDAWVAQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929782575 641542011 /nfs/dbraw/zinc/54/20/11/641542011.db2.gz XFUZHJKVDAWVAQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP Cn1cnc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000313252779 641544468 /nfs/dbraw/zinc/54/44/68/641544468.db2.gz OCTQOCXJPMHSKD-GOCOPAARSA-N 2 1 246.358 0.549 20 0 BCADMP CC(C)COCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000158916978 641658507 /nfs/dbraw/zinc/65/85/07/641658507.db2.gz UKPRKDKDCJSWAR-LLVKDONJSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000915153321 641805863 /nfs/dbraw/zinc/80/58/63/641805863.db2.gz NMUSAOKXYWPHKY-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260638 641867876 /nfs/dbraw/zinc/86/78/76/641867876.db2.gz SNWUQZAWBPQEJS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260638 641867877 /nfs/dbraw/zinc/86/78/77/641867877.db2.gz SNWUQZAWBPQEJS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930001291 642142999 /nfs/dbraw/zinc/14/29/99/642142999.db2.gz TWYLNFHRMNJHSV-CYDGBPFRSA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930001291 642143005 /nfs/dbraw/zinc/14/30/05/642143005.db2.gz TWYLNFHRMNJHSV-CYDGBPFRSA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930001291 642143010 /nfs/dbraw/zinc/14/30/10/642143010.db2.gz TWYLNFHRMNJHSV-CYDGBPFRSA-N 2 1 244.379 0.390 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000918182234 642176297 /nfs/dbraw/zinc/17/62/97/642176297.db2.gz WLCOEILSFKLCON-LLVKDONJSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@@H+]1C)C1CC1 ZINC000918182234 642176301 /nfs/dbraw/zinc/17/63/01/642176301.db2.gz WLCOEILSFKLCON-LLVKDONJSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000918182234 642176311 /nfs/dbraw/zinc/17/63/11/642176311.db2.gz WLCOEILSFKLCON-LLVKDONJSA-N 2 1 240.351 0.084 20 0 BCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971200244 642323612 /nfs/dbraw/zinc/32/36/12/642323612.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971200244 642323618 /nfs/dbraw/zinc/32/36/18/642323618.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971200244 642323624 /nfs/dbraw/zinc/32/36/24/642323624.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000924022926 642370263 /nfs/dbraw/zinc/37/02/63/642370263.db2.gz UXLRZHLRTTXTDJ-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000924022926 642370267 /nfs/dbraw/zinc/37/02/67/642370267.db2.gz UXLRZHLRTTXTDJ-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000924022926 642370273 /nfs/dbraw/zinc/37/02/73/642370273.db2.gz UXLRZHLRTTXTDJ-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021893450 642438878 /nfs/dbraw/zinc/43/88/78/642438878.db2.gz BFQQTCPVKABHKH-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962704225 642731038 /nfs/dbraw/zinc/73/10/38/642731038.db2.gz QQCBQEMRQRULNW-MOENNCHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962592624 642731385 /nfs/dbraw/zinc/73/13/85/642731385.db2.gz SIZBPOAOSCISSQ-NNYUYHANSA-N 2 1 237.347 0.004 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962592624 642731389 /nfs/dbraw/zinc/73/13/89/642731389.db2.gz SIZBPOAOSCISSQ-NNYUYHANSA-N 2 1 237.347 0.004 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962592624 642731398 /nfs/dbraw/zinc/73/13/98/642731398.db2.gz SIZBPOAOSCISSQ-NNYUYHANSA-N 2 1 237.347 0.004 20 0 BCADMP CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962704224 642731547 /nfs/dbraw/zinc/73/15/47/642731547.db2.gz QQCBQEMRQRULNW-CXQJBGSLSA-N 2 1 239.363 0.442 20 0 BCADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967709066 642802317 /nfs/dbraw/zinc/80/23/17/642802317.db2.gz VCQBMNOFVGHHSZ-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C[C@@H](O)COCC)C1CC[NH2+]CC1 ZINC000069280008 642845344 /nfs/dbraw/zinc/84/53/44/642845344.db2.gz JOOIKUSYMJPLAH-CYBMUJFWSA-N 2 1 244.379 0.848 20 0 BCADMP CCS(=O)(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000069730149 642897803 /nfs/dbraw/zinc/89/78/03/642897803.db2.gz KYZRBIIPWZYQED-UHFFFAOYSA-N 2 1 248.392 0.482 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001018971720 643015227 /nfs/dbraw/zinc/01/52/27/643015227.db2.gz PNLQSZOKSSDTDR-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C1CC1 ZINC000070884014 643076150 /nfs/dbraw/zinc/07/61/50/643076150.db2.gz RTAVCNMCFQINRW-NSHDSACASA-N 2 1 209.293 0.552 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001020398230 643087460 /nfs/dbraw/zinc/08/74/60/643087460.db2.gz XGQHHAFWDMQKAK-XYPYZODXSA-N 2 1 236.319 0.448 20 0 BCADMP C([NH2+][C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000070967457 643088787 /nfs/dbraw/zinc/08/87/87/643088787.db2.gz PCWHBXFTWOPZJW-GHMZBOCLSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H](C)[NH+](C)C ZINC000252957245 643148726 /nfs/dbraw/zinc/14/87/26/643148726.db2.gz KFXDQKCVANXEOB-GRYCIOLGSA-N 2 1 229.368 0.293 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969955693 643256232 /nfs/dbraw/zinc/25/62/32/643256232.db2.gz RMJFZQFYTMXSOP-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186204 643284514 /nfs/dbraw/zinc/28/45/14/643284514.db2.gz KZFDVMXJGLZYHS-GFCCVEGCSA-N 2 1 239.363 0.396 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1=O ZINC000843346356 643345687 /nfs/dbraw/zinc/34/56/87/643345687.db2.gz FJNACVPZKYSHFZ-LBPRGKRZSA-N 2 1 235.331 0.556 20 0 BCADMP O=C1N[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CC[C@H]2CO1 ZINC000843390666 643362880 /nfs/dbraw/zinc/36/28/80/643362880.db2.gz BRVVPIQKVNYIKE-GARJFASQSA-N 2 1 239.319 0.026 20 0 BCADMP O=C1N[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CC[C@H]2CO1 ZINC000843390666 643362883 /nfs/dbraw/zinc/36/28/83/643362883.db2.gz BRVVPIQKVNYIKE-GARJFASQSA-N 2 1 239.319 0.026 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082679986 643365846 /nfs/dbraw/zinc/36/58/46/643365846.db2.gz YVOLYDFRMZNMAA-YIZRAAEISA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082679986 643365854 /nfs/dbraw/zinc/36/58/54/643365854.db2.gz YVOLYDFRMZNMAA-YIZRAAEISA-N 2 1 240.269 0.969 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021044408 643392990 /nfs/dbraw/zinc/39/29/90/643392990.db2.gz MPXPXBBDCWSFCU-SRVKXCTJSA-N 2 1 239.363 0.583 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000068949967 643436577 /nfs/dbraw/zinc/43/65/77/643436577.db2.gz KPGOUPHBNCWOST-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069054637 643440245 /nfs/dbraw/zinc/44/02/45/643440245.db2.gz ZDUNZHIDHANVMN-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069054637 643440248 /nfs/dbraw/zinc/44/02/48/643440248.db2.gz ZDUNZHIDHANVMN-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000922160230 643880137 /nfs/dbraw/zinc/88/01/37/643880137.db2.gz ZWHBTJNTSDWSNN-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000922160230 643880140 /nfs/dbraw/zinc/88/01/40/643880140.db2.gz ZWHBTJNTSDWSNN-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000922161845 643885157 /nfs/dbraw/zinc/88/51/57/643885157.db2.gz YBBVERBGVYZSOF-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000922744201 644085353 /nfs/dbraw/zinc/08/53/53/644085353.db2.gz WWFAPAZHVNDOAH-HBNTYKKESA-N 2 1 242.367 0.328 20 0 BCADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000922744199 644086515 /nfs/dbraw/zinc/08/65/15/644086515.db2.gz WWFAPAZHVNDOAH-DCAQKATOSA-N 2 1 242.367 0.328 20 0 BCADMP CCO[C@H](C[NH2+]CC1=CCCOC1)C[NH+](C)C ZINC000922757475 644088447 /nfs/dbraw/zinc/08/84/47/644088447.db2.gz GTXXDMUCPGNLSP-CYBMUJFWSA-N 2 1 242.363 0.889 20 0 BCADMP C[N@@H+](CCc1cccs1)C[C@@H](O)C[NH3+] ZINC000086440848 644137684 /nfs/dbraw/zinc/13/76/84/644137684.db2.gz HZERSJPZXRHMLY-VIFPVBQESA-N 2 1 214.334 0.542 20 0 BCADMP CCOCCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000922941731 644196542 /nfs/dbraw/zinc/19/65/42/644196542.db2.gz NTEKGCPRUGCCHH-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000193300590 644232736 /nfs/dbraw/zinc/23/27/36/644232736.db2.gz GOZJGYOLKPFFGU-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283694 644309812 /nfs/dbraw/zinc/30/98/12/644309812.db2.gz XKACMPQSBHTVMB-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279167 644310722 /nfs/dbraw/zinc/31/07/22/644310722.db2.gz GWWNIUQPNKRFBA-AXFHLTTASA-N 2 1 232.393 0.912 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279167 644310725 /nfs/dbraw/zinc/31/07/25/644310725.db2.gz GWWNIUQPNKRFBA-AXFHLTTASA-N 2 1 232.393 0.912 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279429 644311844 /nfs/dbraw/zinc/31/18/44/644311844.db2.gz AQKBPISKKGCBNM-VHSXEESVSA-N 2 1 218.366 0.381 20 0 BCADMP CCOCCOCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279962 644312182 /nfs/dbraw/zinc/31/21/82/644312182.db2.gz USWJDWGNXZUJAU-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279853 644312792 /nfs/dbraw/zinc/31/27/92/644312792.db2.gz DQVNKGZDFGDJSJ-QWHCGFSZSA-N 2 1 244.379 0.691 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281562 644315284 /nfs/dbraw/zinc/31/52/84/644315284.db2.gz MVMAAOJNLPXYJO-LBPRGKRZSA-N 2 1 244.404 0.927 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923289303 644322180 /nfs/dbraw/zinc/32/21/80/644322180.db2.gz OOFSTGQNFQSLKE-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923289303 644322188 /nfs/dbraw/zinc/32/21/88/644322188.db2.gz OOFSTGQNFQSLKE-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290194 644324175 /nfs/dbraw/zinc/32/41/75/644324175.db2.gz VLQBYJXREZPXOM-XQQFMLRXSA-N 2 1 244.379 0.833 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923290370 644324286 /nfs/dbraw/zinc/32/42/86/644324286.db2.gz IILKGGGTFSUHGM-ZDUSSCGKSA-N 2 1 222.332 0.871 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923299100 644325857 /nfs/dbraw/zinc/32/58/57/644325857.db2.gz IEHRRZGDBZCIGH-GRYCIOLGSA-N 2 1 240.347 0.474 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000923290827 644326275 /nfs/dbraw/zinc/32/62/75/644326275.db2.gz OSNAQNWPNWACEH-CHWSQXEVSA-N 2 1 244.379 0.561 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293155 644328204 /nfs/dbraw/zinc/32/82/04/644328204.db2.gz OIDILROVKDLTEF-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293155 644328209 /nfs/dbraw/zinc/32/82/09/644328209.db2.gz OIDILROVKDLTEF-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923291772 644328602 /nfs/dbraw/zinc/32/86/02/644328602.db2.gz UNJVEXFUSWMCFW-UPJWGTAASA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293114 644329112 /nfs/dbraw/zinc/32/91/12/644329112.db2.gz NLYJYAOCFASQNV-NWDGAFQWSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293114 644329116 /nfs/dbraw/zinc/32/91/16/644329116.db2.gz NLYJYAOCFASQNV-NWDGAFQWSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](C[C@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294426 644331678 /nfs/dbraw/zinc/33/16/78/644331678.db2.gz LNSGXMUBWAWJGS-NSHDSACASA-N 2 1 240.351 0.161 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923295131 644332905 /nfs/dbraw/zinc/33/29/05/644332905.db2.gz UTPWWQHUUKAKDX-VIFPVBQESA-N 2 1 220.382 0.627 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301174 644337134 /nfs/dbraw/zinc/33/71/34/644337134.db2.gz PJNWXOGIWTYFAR-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP COCCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308218 644337889 /nfs/dbraw/zinc/33/78/89/644337889.db2.gz AFAPWIOCAWGLEJ-LLVKDONJSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301257 644338068 /nfs/dbraw/zinc/33/80/68/644338068.db2.gz RVVCGKNUJBIHHL-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3sccc3C2)C1 ZINC000923301050 644338606 /nfs/dbraw/zinc/33/86/06/644338606.db2.gz OGHVGRUNXCNCDZ-DCAQKATOSA-N 2 1 238.356 0.957 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3sccc3C2)C1 ZINC000923301050 644338607 /nfs/dbraw/zinc/33/86/07/644338607.db2.gz OGHVGRUNXCNCDZ-DCAQKATOSA-N 2 1 238.356 0.957 20 0 BCADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000923306466 644339756 /nfs/dbraw/zinc/33/97/56/644339756.db2.gz LJOWMLKYHYJNSA-LLVKDONJSA-N 2 1 226.320 0.087 20 0 BCADMP CC1(C)C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923305894 644341254 /nfs/dbraw/zinc/34/12/54/644341254.db2.gz LDYLDLLQUPACHJ-LLVKDONJSA-N 2 1 240.347 0.476 20 0 BCADMP CCOC[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923314493 644341450 /nfs/dbraw/zinc/34/14/50/644341450.db2.gz JKBCNCSVZPHNAQ-RHYQMDGZSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305487 644342370 /nfs/dbraw/zinc/34/23/70/644342370.db2.gz CEQVETVBUATORK-NSHDSACASA-N 2 1 210.321 0.707 20 0 BCADMP CC(C)[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318187 644342603 /nfs/dbraw/zinc/34/26/03/644342603.db2.gz JJDFLPDOYOZFBM-BJDJZHNGSA-N 2 1 212.337 0.815 20 0 BCADMP OCC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315626 644343353 /nfs/dbraw/zinc/34/33/53/644343353.db2.gz LBLDGKJHKPMFEC-NWDGAFQWSA-N 2 1 240.347 0.069 20 0 BCADMP OCC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315625 644343768 /nfs/dbraw/zinc/34/37/68/644343768.db2.gz LBLDGKJHKPMFEC-NEPJUHHUSA-N 2 1 240.347 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311890 644345605 /nfs/dbraw/zinc/34/56/05/644345605.db2.gz AMWRUVRGMYGSMS-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330521 644348532 /nfs/dbraw/zinc/34/85/32/644348532.db2.gz AFZSRVACIOFGFJ-KGYLQXTDSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330521 644348535 /nfs/dbraw/zinc/34/85/35/644348535.db2.gz AFZSRVACIOFGFJ-KGYLQXTDSA-N 3 1 223.364 0.798 20 0 BCADMP CC[N@@H+](CCc1ccccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321392 644348878 /nfs/dbraw/zinc/34/88/78/644348878.db2.gz DNSZLMLZDUGBPK-UBHSHLNASA-N 2 1 249.358 0.797 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330676 644350061 /nfs/dbraw/zinc/35/00/61/644350061.db2.gz CDHSFNSYCXVAIF-QWRGUYRKSA-N 2 1 230.377 0.396 20 0 BCADMP c1ncn(C[C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)n1 ZINC000923321487 644351909 /nfs/dbraw/zinc/35/19/09/644351909.db2.gz FXGBNKIZBAFTFO-ZDUSSCGKSA-N 2 1 249.362 0.885 20 0 BCADMP c1ncn(C[C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)n1 ZINC000923321487 644351917 /nfs/dbraw/zinc/35/19/17/644351917.db2.gz FXGBNKIZBAFTFO-ZDUSSCGKSA-N 2 1 249.362 0.885 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333091 644353629 /nfs/dbraw/zinc/35/36/29/644353629.db2.gz TXXSUZMVTSTHCC-WOPDTQHZSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923332775 644354898 /nfs/dbraw/zinc/35/48/98/644354898.db2.gz NHRQUHHHSQAJLR-ZDEQEGDKSA-N 2 1 242.363 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348406 644360129 /nfs/dbraw/zinc/36/01/29/644360129.db2.gz GFYIFMLLBYMPOH-WDEREUQCSA-N 2 1 232.393 0.771 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195119610 644362203 /nfs/dbraw/zinc/36/22/03/644362203.db2.gz WNVADWVUWPZHDJ-JTQLQIEISA-N 2 1 213.325 0.276 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349696 644362391 /nfs/dbraw/zinc/36/23/91/644362391.db2.gz VUTIUBDTGUCGDF-OLZOCXBDSA-N 2 1 244.379 0.835 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367594 644377484 /nfs/dbraw/zinc/37/74/84/644377484.db2.gz IJJDXAZJUWLRQY-ZJUUUORDSA-N 2 1 218.341 0.347 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923345876 644364846 /nfs/dbraw/zinc/36/48/46/644364846.db2.gz QVMBVYORMHYUJS-RWMBFGLXSA-N 2 1 244.379 0.833 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358499 644367905 /nfs/dbraw/zinc/36/79/05/644367905.db2.gz HSDYPYJKFWXABZ-HBNTYKKESA-N 2 1 230.377 0.394 20 0 BCADMP OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358139 644368138 /nfs/dbraw/zinc/36/81/38/644368138.db2.gz DJYIEIJVMHGTFV-NEPJUHHUSA-N 2 1 212.337 0.690 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923357681 644368180 /nfs/dbraw/zinc/36/81/80/644368180.db2.gz ZWCSCAWZYUGUBM-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP COC[C@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352850 644369273 /nfs/dbraw/zinc/36/92/73/644369273.db2.gz GILPQKVFDWSAJY-CYBMUJFWSA-N 2 1 244.379 0.835 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352361 644369547 /nfs/dbraw/zinc/36/95/47/644369547.db2.gz DEHANCQVHGJALR-QWRGUYRKSA-N 2 1 232.393 0.914 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367593 644377265 /nfs/dbraw/zinc/37/72/65/644377265.db2.gz IJJDXAZJUWLRQY-VHSXEESVSA-N 2 1 218.341 0.347 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923366868 644377674 /nfs/dbraw/zinc/37/76/74/644377674.db2.gz ABYJWQWQIIFKEY-MNOVXSKESA-N 2 1 240.351 0.207 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000923369113 644382218 /nfs/dbraw/zinc/38/22/18/644382218.db2.gz HQUXWJUSHMDKJV-IMIFBBOLSA-N 2 1 247.342 0.722 20 0 BCADMP CCOCC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371224 644383094 /nfs/dbraw/zinc/38/30/94/644383094.db2.gz VWRKOAGIKOBPNE-GHMZBOCLSA-N 2 1 232.368 0.737 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359551 644383265 /nfs/dbraw/zinc/38/32/65/644383265.db2.gz RPHPZVUSJACNKG-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371075 644383984 /nfs/dbraw/zinc/38/39/84/644383984.db2.gz VBKXREFGVYJJIT-RKDXNWHRSA-N 2 1 220.382 0.673 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923361689 644387355 /nfs/dbraw/zinc/38/73/55/644387355.db2.gz KVCMHTDTSNAPMX-HACHORDNSA-N 2 1 204.339 0.132 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923373460 644389010 /nfs/dbraw/zinc/38/90/10/644389010.db2.gz NBBSDJCEPSTZPF-XWLWVQCSSA-N 2 1 200.326 0.733 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375416 644389378 /nfs/dbraw/zinc/38/93/78/644389378.db2.gz LVOZQISSKGUXPM-QWHCGFSZSA-N 2 1 244.379 0.956 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375675 644389740 /nfs/dbraw/zinc/38/97/40/644389740.db2.gz OYEKNWLFCRZLRS-XQQFMLRXSA-N 2 1 244.379 0.691 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccn1 ZINC000923379593 644391990 /nfs/dbraw/zinc/39/19/90/644391990.db2.gz QMDFFILFKYTTNQ-QSFUFRPTSA-N 2 1 221.304 0.583 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391258 644395675 /nfs/dbraw/zinc/39/56/75/644395675.db2.gz XBJHXTHLFJDJER-JQWIXIFHSA-N 2 1 240.347 0.210 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923390028 644396492 /nfs/dbraw/zinc/39/64/92/644396492.db2.gz AUUBKIGWFJXBDY-YNEHKIRRSA-N 2 1 244.379 0.832 20 0 BCADMP C[N@@H+](CC1=CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392490 644398340 /nfs/dbraw/zinc/39/83/40/644398340.db2.gz WZUYODDOLYWFAI-SRVKXCTJSA-N 2 1 226.320 0.116 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H](C)COC ZINC000083052933 644398935 /nfs/dbraw/zinc/39/89/35/644398935.db2.gz NLQPKALUUNIWLG-NSHDSACASA-N 2 1 244.383 0.658 20 0 BCADMP COc1cccc2c1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923399537 644405133 /nfs/dbraw/zinc/40/51/33/644405133.db2.gz DYZLRGNFSYHFQP-DRZSPHRISA-N 2 1 248.326 0.861 20 0 BCADMP COc1cccc2c1C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923399537 644405136 /nfs/dbraw/zinc/40/51/36/644405136.db2.gz DYZLRGNFSYHFQP-DRZSPHRISA-N 2 1 248.326 0.861 20 0 BCADMP OCCN[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923401729 644407187 /nfs/dbraw/zinc/40/71/87/644407187.db2.gz FGBPLFRURDJFIS-ZDUSSCGKSA-N 2 1 241.379 0.032 20 0 BCADMP OCCN[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923401729 644407195 /nfs/dbraw/zinc/40/71/95/644407195.db2.gz FGBPLFRURDJFIS-ZDUSSCGKSA-N 2 1 241.379 0.032 20 0 BCADMP CCc1ncc(C[N@H+](C)CCOCC[NH3+])o1 ZINC000923403062 644407364 /nfs/dbraw/zinc/40/73/64/644407364.db2.gz NHSDTKRPOHEFPQ-UHFFFAOYSA-N 2 1 227.308 0.644 20 0 BCADMP CCc1ncc(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000923403062 644407368 /nfs/dbraw/zinc/40/73/68/644407368.db2.gz NHSDTKRPOHEFPQ-UHFFFAOYSA-N 2 1 227.308 0.644 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923410477 644412154 /nfs/dbraw/zinc/41/21/54/644412154.db2.gz IEQCQAPSAVTTJE-XQQFMLRXSA-N 2 1 244.379 0.689 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414214 644416126 /nfs/dbraw/zinc/41/61/26/644416126.db2.gz KKNDQUIPQOCZGS-IJLUTSLNSA-N 2 1 244.404 0.784 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414217 644416535 /nfs/dbraw/zinc/41/65/35/644416535.db2.gz KKNDQUIPQOCZGS-QJPTWQEYSA-N 2 1 244.404 0.784 20 0 BCADMP OCC1(CO)CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923422038 644417378 /nfs/dbraw/zinc/41/73/78/644417378.db2.gz UKOUBUVTIQQKRE-UHFFFAOYSA-N 2 1 242.363 0.195 20 0 BCADMP CC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923423013 644418513 /nfs/dbraw/zinc/41/85/13/644418513.db2.gz YMHLREZRYBEYJU-RHYQMDGZSA-N 2 1 226.320 0.138 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000923426078 644419798 /nfs/dbraw/zinc/41/97/98/644419798.db2.gz CDHRQXUALQBEFV-MOLYVOAJSA-N 2 1 240.347 0.338 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923428934 644421770 /nfs/dbraw/zinc/42/17/70/644421770.db2.gz SUYOBMIZHFMERH-WDEREUQCSA-N 2 1 228.336 0.258 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429273 644422500 /nfs/dbraw/zinc/42/25/00/644422500.db2.gz YJQADAQGUOYFTQ-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432713 644426600 /nfs/dbraw/zinc/42/66/00/644426600.db2.gz IPJUJZRAGCWGJO-RYUDHWBXSA-N 2 1 240.347 0.333 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000923454325 644443672 /nfs/dbraw/zinc/44/36/72/644443672.db2.gz GSBUIKCJXYFFBR-FRRDWIJNSA-N 3 1 223.364 0.670 20 0 BCADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000923454325 644443677 /nfs/dbraw/zinc/44/36/77/644443677.db2.gz GSBUIKCJXYFFBR-FRRDWIJNSA-N 3 1 223.364 0.670 20 0 BCADMP N[C@]1(CO)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470889 644448273 /nfs/dbraw/zinc/44/82/73/644448273.db2.gz BWEKNEPGSCUZHJ-QWHCGFSZSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@]1(CO)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470889 644448289 /nfs/dbraw/zinc/44/82/89/644448289.db2.gz BWEKNEPGSCUZHJ-QWHCGFSZSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@@]1(CO)CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000923474249 644451390 /nfs/dbraw/zinc/45/13/90/644451390.db2.gz ZJMTZMUFPOBCMO-ZDUSSCGKSA-N 2 1 243.395 0.681 20 0 BCADMP N[C@@]1(CO)CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000923474249 644451394 /nfs/dbraw/zinc/45/13/94/644451394.db2.gz ZJMTZMUFPOBCMO-ZDUSSCGKSA-N 2 1 243.395 0.681 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480645 644459766 /nfs/dbraw/zinc/45/97/66/644459766.db2.gz AWGSHHDPGWRJLL-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923480992 644460379 /nfs/dbraw/zinc/46/03/79/644460379.db2.gz NJHVRIGCIJBJKA-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495131 644463218 /nfs/dbraw/zinc/46/32/18/644463218.db2.gz UECQSOLWSXOWDZ-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2C[C@H](F)CN2)CC[C@H]1C[NH3+] ZINC000923489373 644464769 /nfs/dbraw/zinc/46/47/69/644464769.db2.gz JGFOHLYGSMGLJT-BJDJZHNGSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H](F)CN2)CC[C@H]1C[NH3+] ZINC000923489373 644464772 /nfs/dbraw/zinc/46/47/72/644464772.db2.gz JGFOHLYGSMGLJT-BJDJZHNGSA-N 2 1 229.343 0.603 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490658 644465100 /nfs/dbraw/zinc/46/51/00/644465100.db2.gz FDGWIUBWIZOIFV-MXWKQRLJSA-N 2 1 200.326 0.674 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490653 644466047 /nfs/dbraw/zinc/46/60/47/644466047.db2.gz FDGWIUBWIZOIFV-AXFHLTTASA-N 2 1 200.326 0.674 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923491418 644466204 /nfs/dbraw/zinc/46/62/04/644466204.db2.gz RVLZCNLNBKUDSG-MNOVXSKESA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923491418 644466208 /nfs/dbraw/zinc/46/62/08/644466208.db2.gz RVLZCNLNBKUDSG-MNOVXSKESA-N 2 1 237.351 0.715 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923491117 644466402 /nfs/dbraw/zinc/46/64/02/644466402.db2.gz RBWBHTPPAJYZIS-DGCLKSJQSA-N 2 1 236.363 0.879 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492369 644466784 /nfs/dbraw/zinc/46/67/84/644466784.db2.gz NZICQUAHMANFHC-GARJFASQSA-N 2 1 232.393 0.627 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491444 644466874 /nfs/dbraw/zinc/46/68/74/644466874.db2.gz RWYPOZOWDSNGIU-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492270 644467153 /nfs/dbraw/zinc/46/71/53/644467153.db2.gz AZBKJUVVLPNCII-UTLUCORTSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492270 644467158 /nfs/dbraw/zinc/46/71/58/644467158.db2.gz AZBKJUVVLPNCII-UTLUCORTSA-N 2 1 238.339 0.188 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492371 644468155 /nfs/dbraw/zinc/46/81/55/644468155.db2.gz NZICQUAHMANFHC-HBNTYKKESA-N 2 1 232.393 0.627 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1C[NH3+] ZINC000923492811 644468681 /nfs/dbraw/zinc/46/86/81/644468681.db2.gz OZQNMTFRJTUYRI-RKDXNWHRSA-N 2 1 226.349 0.955 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1=O ZINC000923494335 644469789 /nfs/dbraw/zinc/46/97/89/644469789.db2.gz WUZDOHAIOPJJPE-NSHDSACASA-N 2 1 235.331 0.556 20 0 BCADMP CCOC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497080 644470288 /nfs/dbraw/zinc/47/02/88/644470288.db2.gz KTRJQPKCMWMCKF-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494259 644471151 /nfs/dbraw/zinc/47/11/51/644471151.db2.gz WXLULJOSJDHYHM-STQMWFEESA-N 2 1 244.379 0.956 20 0 BCADMP C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1C[NH3+] ZINC000923500799 644471732 /nfs/dbraw/zinc/47/17/32/644471732.db2.gz PEPPXHGLDJVVOO-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1C[NH3+] ZINC000923500799 644471740 /nfs/dbraw/zinc/47/17/40/644471740.db2.gz PEPPXHGLDJVVOO-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1C[NH3+] ZINC000923500419 644472605 /nfs/dbraw/zinc/47/26/05/644472605.db2.gz QEJADYRRPILGAG-DGCLKSJQSA-N 2 1 249.358 0.802 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1C[NH3+] ZINC000923500801 644472800 /nfs/dbraw/zinc/47/28/00/644472800.db2.gz PEPPXHGLDJVVOO-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1C[NH3+] ZINC000923500801 644472805 /nfs/dbraw/zinc/47/28/05/644472805.db2.gz PEPPXHGLDJVVOO-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923499731 644473951 /nfs/dbraw/zinc/47/39/51/644473951.db2.gz LSWZLNDVKHNLGU-DGCLKSJQSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503642 644477371 /nfs/dbraw/zinc/47/73/71/644477371.db2.gz KCJABFVUZANYCJ-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514915 644477482 /nfs/dbraw/zinc/47/74/82/644477482.db2.gz IEQCQAPSAVTTJE-JHJVBQTASA-N 2 1 244.379 0.689 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515048 644478097 /nfs/dbraw/zinc/47/80/97/644478097.db2.gz BHBLXQUAHMHADJ-WUHRBBMRSA-N 3 1 223.364 0.655 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516173 644479225 /nfs/dbraw/zinc/47/92/25/644479225.db2.gz TYHQEUQURYBASP-FVCCEPFGSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000923515326 644479240 /nfs/dbraw/zinc/47/92/40/644479240.db2.gz QMBRGXJYFHNQBJ-WRWGMCAJSA-N 2 1 212.337 0.938 20 0 BCADMP O[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000923516456 644480161 /nfs/dbraw/zinc/48/01/61/644480161.db2.gz GEWHKZUKDWADJY-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP O[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000923516456 644480166 /nfs/dbraw/zinc/48/01/66/644480166.db2.gz GEWHKZUKDWADJY-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516202 644481244 /nfs/dbraw/zinc/48/12/44/644481244.db2.gz UXBHIOGMTBFLKU-NWDGAFQWSA-N 2 1 232.331 0.826 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516202 644481248 /nfs/dbraw/zinc/48/12/48/644481248.db2.gz UXBHIOGMTBFLKU-NWDGAFQWSA-N 2 1 232.331 0.826 20 0 BCADMP FC(F)OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516223 644481594 /nfs/dbraw/zinc/48/15/94/644481594.db2.gz VOLUSIIPDQZVIK-DTWKUNHWSA-N 2 1 220.263 0.767 20 0 BCADMP FC(F)OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516223 644481598 /nfs/dbraw/zinc/48/15/98/644481598.db2.gz VOLUSIIPDQZVIK-DTWKUNHWSA-N 2 1 220.263 0.767 20 0 BCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518167 644483376 /nfs/dbraw/zinc/48/33/76/644483376.db2.gz AUJFAKPHEHWGQP-QJPTWQEYSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923528469 644484809 /nfs/dbraw/zinc/48/48/09/644484809.db2.gz WQKNRSUFKHMISG-UHFFFAOYSA-N 2 1 241.335 0.560 20 0 BCADMP COC[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923556445 644501850 /nfs/dbraw/zinc/50/18/50/644501850.db2.gz GZRVRVHDIUKIBS-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC)C1 ZINC000957385930 644723634 /nfs/dbraw/zinc/72/36/34/644723634.db2.gz RFNXSEWZXRBSMK-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC)C1 ZINC000957385930 644723642 /nfs/dbraw/zinc/72/36/42/644723642.db2.gz RFNXSEWZXRBSMK-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251838998 644826966 /nfs/dbraw/zinc/82/69/66/644826966.db2.gz QGXAUDIGTGGZKQ-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863177 644828141 /nfs/dbraw/zinc/82/81/41/644828141.db2.gz SRKDFMAGSNMQQL-ZJUUUORDSA-N 2 1 225.336 0.182 20 0 BCADMP [NH3+]Cc1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000647160129 644839347 /nfs/dbraw/zinc/83/93/47/644839347.db2.gz VLNSYHADLOHDCO-DTWKUNHWSA-N 2 1 222.292 0.631 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839600 644913416 /nfs/dbraw/zinc/91/34/16/644913416.db2.gz BBDCPNNEIAGCOL-BJDJZHNGSA-N 2 1 212.337 0.817 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252859042 644918105 /nfs/dbraw/zinc/91/81/05/644918105.db2.gz MFYGTWGYBQNFQJ-QNWHQSFQSA-N 2 1 242.363 0.443 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000843389007 645287845 /nfs/dbraw/zinc/28/78/45/645287845.db2.gz JBQUNAVISROPIT-LBPRGKRZSA-N 2 1 235.331 0.846 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000844187902 645316668 /nfs/dbraw/zinc/31/66/68/645316668.db2.gz MDHZCEXMYVQZOJ-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000844184220 645317151 /nfs/dbraw/zinc/31/71/51/645317151.db2.gz DWKBYCWGMJVAQG-LBPRGKRZSA-N 2 1 241.379 0.690 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C(F)F ZINC000926782443 645428053 /nfs/dbraw/zinc/42/80/53/645428053.db2.gz BEXRQGLHJLANNW-JDUUOCRZSA-N 2 1 248.317 0.932 20 0 BCADMP COC(=O)[C@]1(F)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000852753176 645487953 /nfs/dbraw/zinc/48/79/53/645487953.db2.gz AIKWNVBHFUNALY-PWSUYJOCSA-N 2 1 244.310 0.573 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1COC[C@H]1C)C[NH+](C)C ZINC000926962211 645501119 /nfs/dbraw/zinc/50/11/19/645501119.db2.gz KMWSMOIXJLCMKS-UTUOFQBUSA-N 2 1 230.352 0.578 20 0 BCADMP CCO[C@@H](C[NH2+]C1CCC(O)CC1)C[NH+](C)C ZINC000926963893 645502394 /nfs/dbraw/zinc/50/23/94/645502394.db2.gz VRTCXLQIIZYKAI-BPCQOVAHSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000928437543 645742548 /nfs/dbraw/zinc/74/25/48/645742548.db2.gz XERLQUWZSVTOKA-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000928437543 645742549 /nfs/dbraw/zinc/74/25/49/645742549.db2.gz XERLQUWZSVTOKA-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928432136 645746714 /nfs/dbraw/zinc/74/67/14/645746714.db2.gz PKNQRFXISXTPQT-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928432136 645746723 /nfs/dbraw/zinc/74/67/23/645746723.db2.gz PKNQRFXISXTPQT-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928432136 645746733 /nfs/dbraw/zinc/74/67/33/645746733.db2.gz PKNQRFXISXTPQT-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123570305 645760799 /nfs/dbraw/zinc/76/07/99/645760799.db2.gz XCFFIUXOPOUKBR-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000211430687 645837959 /nfs/dbraw/zinc/83/79/59/645837959.db2.gz PXLIBRIYPSQLCZ-UHFFFAOYSA-N 2 1 247.342 0.855 20 0 BCADMP CCCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000221887594 645893844 /nfs/dbraw/zinc/89/38/44/645893844.db2.gz SHRVDDSBULMCSH-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP COC(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)[nH]1 ZINC000929065207 645931818 /nfs/dbraw/zinc/93/18/18/645931818.db2.gz RGBNAOKTWOJBFM-UHFFFAOYSA-N 2 1 237.303 0.643 20 0 BCADMP C[NH+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924538850 646059548 /nfs/dbraw/zinc/05/95/48/646059548.db2.gz DELAZYKDELMMLY-SECBINFHSA-N 2 1 213.325 0.052 20 0 BCADMP C([C@@H]1CCC2(COC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311656 646072892 /nfs/dbraw/zinc/07/28/92/646072892.db2.gz FNMACHIJGQYNSG-TUAOUCFPSA-N 2 1 238.331 0.086 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000924653491 646085451 /nfs/dbraw/zinc/08/54/51/646085451.db2.gz KMURJENCADRKFM-RWMBFGLXSA-N 2 1 244.379 0.968 20 0 BCADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924988991 646151654 /nfs/dbraw/zinc/15/16/54/646151654.db2.gz FDVQHGZFECQMAQ-RWMBFGLXSA-N 2 1 244.379 0.560 20 0 BCADMP C[C@@H]1CC2(CC([NH2+]C[C@H](O)C[NH+](C)C)C2)CO1 ZINC000924993179 646152096 /nfs/dbraw/zinc/15/20/96/646152096.db2.gz PJPSNMZPQFDUSS-IGJPJIBNSA-N 2 1 242.363 0.456 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637767 646215323 /nfs/dbraw/zinc/21/53/23/646215323.db2.gz ONLBWFUMYNXMNM-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637767 646215329 /nfs/dbraw/zinc/21/53/29/646215329.db2.gz ONLBWFUMYNXMNM-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000929639542 646217534 /nfs/dbraw/zinc/21/75/34/646217534.db2.gz POBUJALVSDZHBL-NWDGAFQWSA-N 2 1 242.363 0.146 20 0 BCADMP COCC(COC)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929699137 646255307 /nfs/dbraw/zinc/25/53/07/646255307.db2.gz GKZRMZUMTRNUQB-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP COCC(COC)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929699137 646255325 /nfs/dbraw/zinc/25/53/25/646255325.db2.gz GKZRMZUMTRNUQB-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP COCC(COC)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929699137 646255335 /nfs/dbraw/zinc/25/53/35/646255335.db2.gz GKZRMZUMTRNUQB-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929723095 646273960 /nfs/dbraw/zinc/27/39/60/646273960.db2.gz RZYUWDVBINNHQQ-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929723095 646273966 /nfs/dbraw/zinc/27/39/66/646273966.db2.gz RZYUWDVBINNHQQ-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000929723095 646273969 /nfs/dbraw/zinc/27/39/69/646273969.db2.gz RZYUWDVBINNHQQ-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000929723095 646273976 /nfs/dbraw/zinc/27/39/76/646273976.db2.gz RZYUWDVBINNHQQ-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929779282 646308275 /nfs/dbraw/zinc/30/82/75/646308275.db2.gz YNMQEMHKNMIKLM-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929779282 646308278 /nfs/dbraw/zinc/30/82/78/646308278.db2.gz YNMQEMHKNMIKLM-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929781587 646308818 /nfs/dbraw/zinc/30/88/18/646308818.db2.gz YUDIYJPWUNDRLS-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929781587 646308824 /nfs/dbraw/zinc/30/88/24/646308824.db2.gz YUDIYJPWUNDRLS-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782911 646309840 /nfs/dbraw/zinc/30/98/40/646309840.db2.gz MZMFJNWYVNYFRS-WRWGMCAJSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782911 646309842 /nfs/dbraw/zinc/30/98/42/646309842.db2.gz MZMFJNWYVNYFRS-WRWGMCAJSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782911 646309843 /nfs/dbraw/zinc/30/98/43/646309843.db2.gz MZMFJNWYVNYFRS-WRWGMCAJSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782911 646309845 /nfs/dbraw/zinc/30/98/45/646309845.db2.gz MZMFJNWYVNYFRS-WRWGMCAJSA-N 2 1 230.352 0.143 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000925513581 646310613 /nfs/dbraw/zinc/31/06/13/646310613.db2.gz KGFWXNFLXVYXNB-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000925515237 646311604 /nfs/dbraw/zinc/31/16/04/646311604.db2.gz QOQYCDZOFIHXLO-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCc1nncn1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925517782 646311981 /nfs/dbraw/zinc/31/19/81/646311981.db2.gz WRPIVXVJFNEAAY-SNVBAGLBSA-N 2 1 237.351 0.571 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)O)C1 ZINC000929787695 646318691 /nfs/dbraw/zinc/31/86/91/646318691.db2.gz MJNIIHXGSQVADO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929787695 646318697 /nfs/dbraw/zinc/31/86/97/646318697.db2.gz MJNIIHXGSQVADO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929787695 646318701 /nfs/dbraw/zinc/31/87/01/646318701.db2.gz MJNIIHXGSQVADO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CCC[N@@H+](CC)CCN[C@H]1C[NH2+]CCOC1 ZINC000925529884 646319097 /nfs/dbraw/zinc/31/90/97/646319097.db2.gz NBEXRCCKQSBBCI-LBPRGKRZSA-N 2 1 229.368 0.296 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2COCCO2)C1 ZINC000929791330 646320925 /nfs/dbraw/zinc/32/09/25/646320925.db2.gz SBOSQSIVOUQIBH-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2COCCO2)C1 ZINC000929791330 646320928 /nfs/dbraw/zinc/32/09/28/646320928.db2.gz SBOSQSIVOUQIBH-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000929791330 646320933 /nfs/dbraw/zinc/32/09/33/646320933.db2.gz SBOSQSIVOUQIBH-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000929791330 646320938 /nfs/dbraw/zinc/32/09/38/646320938.db2.gz SBOSQSIVOUQIBH-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925556498 646329426 /nfs/dbraw/zinc/32/94/26/646329426.db2.gz JVHVCCUYWBFWPL-GFCCVEGCSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925566959 646337369 /nfs/dbraw/zinc/33/73/69/646337369.db2.gz MRABNFCORAJXKU-XQQFMLRXSA-N 2 1 242.363 0.770 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000925578821 646345158 /nfs/dbraw/zinc/34/51/58/646345158.db2.gz YTRZNAIFSCPAOU-YUSALJHKSA-N 2 1 249.362 0.631 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925611348 646346821 /nfs/dbraw/zinc/34/68/21/646346821.db2.gz LKFAFHDTJGATRS-IVZWLZJFSA-N 2 1 232.393 0.829 20 0 BCADMP OCCCSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608585 646357726 /nfs/dbraw/zinc/35/77/26/646357726.db2.gz FPLBBHBWHYVOSN-LLVKDONJSA-N 2 1 244.404 0.976 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848471 646357782 /nfs/dbraw/zinc/35/77/82/646357782.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848471 646357787 /nfs/dbraw/zinc/35/77/87/646357787.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848471 646357792 /nfs/dbraw/zinc/35/77/92/646357792.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925611347 646360481 /nfs/dbraw/zinc/36/04/81/646360481.db2.gz LKFAFHDTJGATRS-BBBLOLIVSA-N 2 1 232.393 0.829 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925619284 646366649 /nfs/dbraw/zinc/36/66/49/646366649.db2.gz YVZKILYGGRQJSP-ZJUUUORDSA-N 2 1 239.319 0.297 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925619281 646368134 /nfs/dbraw/zinc/36/81/34/646368134.db2.gz YVZKILYGGRQJSP-UWVGGRQHSA-N 2 1 239.319 0.297 20 0 BCADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925622975 646369149 /nfs/dbraw/zinc/36/91/49/646369149.db2.gz NTMKBXADSSKFTN-MNOVXSKESA-N 2 1 242.388 0.729 20 0 BCADMP O[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925622972 646369307 /nfs/dbraw/zinc/36/93/07/646369307.db2.gz NTMKBXADSSKFTN-GHMZBOCLSA-N 2 1 242.388 0.729 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCn1cccn1 ZINC000925622542 646369441 /nfs/dbraw/zinc/36/94/41/646369441.db2.gz QFWYSULKRIXGBM-SNVBAGLBSA-N 2 1 208.309 0.613 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925625093 646372776 /nfs/dbraw/zinc/37/27/76/646372776.db2.gz APIVSCYTIMXIHC-NWDGAFQWSA-N 2 1 242.363 0.648 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000925647271 646373888 /nfs/dbraw/zinc/37/38/88/646373888.db2.gz BIHVOLHYQJVQOF-SNVBAGLBSA-N 2 1 212.337 0.879 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000929962414 646378189 /nfs/dbraw/zinc/37/81/89/646378189.db2.gz TWSMUAMCCDCPOX-CMPLNLGQSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925635096 646378384 /nfs/dbraw/zinc/37/83/84/646378384.db2.gz OONXLBVUVUCQMZ-GUBZILKMSA-N 2 1 200.326 0.876 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925646879 646386668 /nfs/dbraw/zinc/38/66/68/646386668.db2.gz XXJWHFRGOJHASY-YYKUHQFVSA-N 2 1 224.348 0.996 20 0 BCADMP C[C@]1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC(=O)N1 ZINC000925684613 646411635 /nfs/dbraw/zinc/41/16/35/646411635.db2.gz IKQIUGOAQVZXPB-OKZSBRDXSA-N 2 1 249.358 0.241 20 0 BCADMP O=C1NCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925685491 646413279 /nfs/dbraw/zinc/41/32/79/646413279.db2.gz JOFIVZUFPPFFHI-QWRGUYRKSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925686374 646413408 /nfs/dbraw/zinc/41/34/08/646413408.db2.gz SKUPHKONDHVJSJ-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CNCCOC2)C1 ZINC000925686374 646413411 /nfs/dbraw/zinc/41/34/11/646413411.db2.gz SKUPHKONDHVJSJ-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CNCCOC2)C1 ZINC000925686374 646413413 /nfs/dbraw/zinc/41/34/13/646413413.db2.gz SKUPHKONDHVJSJ-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000925688029 646415146 /nfs/dbraw/zinc/41/51/46/646415146.db2.gz BAIQYPOICIKOJO-GHMZBOCLSA-N 2 1 212.337 0.878 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925689659 646416449 /nfs/dbraw/zinc/41/64/49/646416449.db2.gz UKWXIHCMSVULDX-GHMZBOCLSA-N 2 1 239.363 0.775 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925701806 646425471 /nfs/dbraw/zinc/42/54/71/646425471.db2.gz GBKFIERODDDZLK-NXEZZACHSA-N 2 1 237.351 0.811 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000925719030 646438241 /nfs/dbraw/zinc/43/82/41/646438241.db2.gz PWGYQVRGVHXNSE-WDEREUQCSA-N 2 1 215.341 0.082 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CCOC1 ZINC000925712649 646438434 /nfs/dbraw/zinc/43/84/34/646438434.db2.gz ICCCLDCSWMFUDZ-YVECIDJPSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719451 646444112 /nfs/dbraw/zinc/44/41/12/646444112.db2.gz RXWQCCABKFGXKL-LSUSWQKBSA-N 2 1 239.363 0.079 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000925724315 646449967 /nfs/dbraw/zinc/44/99/67/646449967.db2.gz IZZSFNCDGFHYKV-VHSXEESVSA-N 2 1 235.322 0.913 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726552 646451952 /nfs/dbraw/zinc/45/19/52/646451952.db2.gz JLFURXDROLOGPZ-GRYCIOLGSA-N 2 1 223.364 0.988 20 0 BCADMP C[C@@H](O)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170629 646473135 /nfs/dbraw/zinc/47/31/35/646473135.db2.gz CBHKLPHIBFBKNF-VXGBXAGGSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170629 646473138 /nfs/dbraw/zinc/47/31/38/646473138.db2.gz CBHKLPHIBFBKNF-VXGBXAGGSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000925788060 646482328 /nfs/dbraw/zinc/48/23/28/646482328.db2.gz XWPWESBMNLIBPZ-RNJOBUHISA-N 2 1 225.380 0.820 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925839598 646506836 /nfs/dbraw/zinc/50/68/36/646506836.db2.gz RYFLFBVJQWJQLE-NXEZZACHSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[C@H]21 ZINC000925859213 646512333 /nfs/dbraw/zinc/51/23/33/646512333.db2.gz GGQOSDDEPYNHRY-NOOOWODRSA-N 2 1 225.336 0.352 20 0 BCADMP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858865 646513178 /nfs/dbraw/zinc/51/31/78/646513178.db2.gz DKMNGCZBFFDFCY-NOOOWODRSA-N 2 1 225.336 0.400 20 0 BCADMP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858872 646513410 /nfs/dbraw/zinc/51/34/10/646513410.db2.gz DKMNGCZBFFDFCY-WISYIIOYSA-N 2 1 225.336 0.400 20 0 BCADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925865430 646518450 /nfs/dbraw/zinc/51/84/50/646518450.db2.gz QVZOJLFUAZUDGM-SRVKXCTJSA-N 2 1 227.352 0.790 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699842 711534713 /nfs/dbraw/zinc/53/47/13/711534713.db2.gz VTRWEZCHTZFPCX-MNOVXSKESA-N 2 1 216.325 0.055 20 0 BCADMP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000724190645 711568345 /nfs/dbraw/zinc/56/83/45/711568345.db2.gz ZNLRKZHMKRJSCX-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000724190645 711568348 /nfs/dbraw/zinc/56/83/48/711568348.db2.gz ZNLRKZHMKRJSCX-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000724887087 711625478 /nfs/dbraw/zinc/62/54/78/711625478.db2.gz NXRFNZYOJFLZPD-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCC[NH3+] ZINC000720901663 711686999 /nfs/dbraw/zinc/68/69/99/711686999.db2.gz SVDGVQIWFIMOCU-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP COC(=O)[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000385294831 711688677 /nfs/dbraw/zinc/68/86/77/711688677.db2.gz CWQNJZGLEKMGQL-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP COC(=O)[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000385294831 711688678 /nfs/dbraw/zinc/68/86/78/711688678.db2.gz CWQNJZGLEKMGQL-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP COC[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C(C)C ZINC000721910065 711694330 /nfs/dbraw/zinc/69/43/30/711694330.db2.gz CWHHPOWXEWPCDF-VXGBXAGGSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C(C)C ZINC000721910065 711694331 /nfs/dbraw/zinc/69/43/31/711694331.db2.gz CWHHPOWXEWPCDF-VXGBXAGGSA-N 2 1 230.352 0.565 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CO ZINC000396605759 711702634 /nfs/dbraw/zinc/70/26/34/711702634.db2.gz ZCIWVSKZYFSSLH-VHSXEESVSA-N 2 1 200.326 0.735 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000069724255 711893509 /nfs/dbraw/zinc/89/35/09/711893509.db2.gz XWESNKIIEFVGEG-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@H](O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278031 712044588 /nfs/dbraw/zinc/04/45/88/712044588.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278031 712044590 /nfs/dbraw/zinc/04/45/90/712044590.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278031 712044592 /nfs/dbraw/zinc/04/45/92/712044592.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000702603385 712056210 /nfs/dbraw/zinc/05/62/10/712056210.db2.gz MUVBHSKECUZGDI-ZYHUDNBSSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000702603385 712056213 /nfs/dbraw/zinc/05/62/13/712056213.db2.gz MUVBHSKECUZGDI-ZYHUDNBSSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702629171 712057152 /nfs/dbraw/zinc/05/71/52/712057152.db2.gz QYEYNKXLQWXNGR-ZJUUUORDSA-N 2 1 232.755 0.803 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695618 712216054 /nfs/dbraw/zinc/21/60/54/712216054.db2.gz GNRCNHFSSXZJLZ-QWRGUYRKSA-N 2 1 244.379 0.832 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709773741 712222131 /nfs/dbraw/zinc/22/21/31/712222131.db2.gz UHAUZZCSHMNNLV-NSHDSACASA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461487 712222479 /nfs/dbraw/zinc/22/24/79/712222479.db2.gz IYUMLAFRSRPJGU-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CC1)C2 ZINC000709826258 712228752 /nfs/dbraw/zinc/22/87/52/712228752.db2.gz MCSYXUSSFJFBOF-NGZCFLSTSA-N 2 1 223.320 0.077 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC1CC1)C2 ZINC000709826258 712228754 /nfs/dbraw/zinc/22/87/54/712228754.db2.gz MCSYXUSSFJFBOF-NGZCFLSTSA-N 2 1 223.320 0.077 20 0 BCADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000711534345 712310110 /nfs/dbraw/zinc/31/01/10/712310110.db2.gz MDTPPWIDNMQFFF-TXEJJXNPSA-N 2 1 241.404 0.186 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543562 712310253 /nfs/dbraw/zinc/31/02/53/712310253.db2.gz VLXBWNKHHONLJF-MXWKQRLJSA-N 2 1 212.362 0.891 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478738 712334479 /nfs/dbraw/zinc/33/44/79/712334479.db2.gz HTQIYHSBEJSQPI-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558488 712445677 /nfs/dbraw/zinc/44/56/77/712445677.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558488 712445678 /nfs/dbraw/zinc/44/56/78/712445678.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000713100521 712452669 /nfs/dbraw/zinc/45/26/69/712452669.db2.gz PYWQOJPJVDWGLP-NSHDSACASA-N 2 1 241.379 0.770 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714374744 712484551 /nfs/dbraw/zinc/48/45/51/712484551.db2.gz OIQNARRYFZNZJN-WDEREUQCSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714374744 712484553 /nfs/dbraw/zinc/48/45/53/712484553.db2.gz OIQNARRYFZNZJN-WDEREUQCSA-N 2 1 230.352 0.586 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000716034162 712547126 /nfs/dbraw/zinc/54/71/26/712547126.db2.gz OTSFULSFHBHAGY-GHMZBOCLSA-N 2 1 228.336 0.870 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716744565 712571883 /nfs/dbraw/zinc/57/18/83/712571883.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716744565 712571884 /nfs/dbraw/zinc/57/18/84/712571884.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCF ZINC000716744565 712571885 /nfs/dbraw/zinc/57/18/85/712571885.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCF ZINC000716744565 712571886 /nfs/dbraw/zinc/57/18/86/712571886.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 2 1 220.332 0.979 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000384949632 712707093 /nfs/dbraw/zinc/70/70/93/712707093.db2.gz LMIUOGIZSBABAY-CMPLNLGQSA-N 2 1 228.336 0.332 20 0 BCADMP CC(=O)NCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719276956 712803021 /nfs/dbraw/zinc/80/30/21/712803021.db2.gz FGTVMDQUQSTZCM-YHWZYXNKSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720898705 712874921 /nfs/dbraw/zinc/87/49/21/712874921.db2.gz KWSFPEUWYGCSKX-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCOCC[NH3+] ZINC000720890347 712875386 /nfs/dbraw/zinc/87/53/86/712875386.db2.gz LRGLTITZKCHIPW-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCOCC[NH3+] ZINC000720890347 712875388 /nfs/dbraw/zinc/87/53/88/712875388.db2.gz LRGLTITZKCHIPW-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCOCC[NH3+] ZINC000720890347 712875392 /nfs/dbraw/zinc/87/53/92/712875392.db2.gz LRGLTITZKCHIPW-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCC[NH3+] ZINC000720901659 712875578 /nfs/dbraw/zinc/87/55/78/712875578.db2.gz SVDGVQIWFIMOCU-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720896767 712876558 /nfs/dbraw/zinc/87/65/58/712876558.db2.gz DNYZAMFRMPHSFK-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720897360 712876571 /nfs/dbraw/zinc/87/65/71/712876571.db2.gz HATCIPPQPKDZAP-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932975 712880206 /nfs/dbraw/zinc/88/02/06/712880206.db2.gz YVPIOFHKKYITSK-SDDRHHMPSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932975 712880208 /nfs/dbraw/zinc/88/02/08/712880208.db2.gz YVPIOFHKKYITSK-SDDRHHMPSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000381345268 710625571 /nfs/dbraw/zinc/62/55/71/710625571.db2.gz YUOQUDXHIJQXLV-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000381345268 710625573 /nfs/dbraw/zinc/62/55/73/710625573.db2.gz YUOQUDXHIJQXLV-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000381345269 710625645 /nfs/dbraw/zinc/62/56/45/710625645.db2.gz YUOQUDXHIJQXLV-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000381345269 710625648 /nfs/dbraw/zinc/62/56/48/710625648.db2.gz YUOQUDXHIJQXLV-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030340 710718424 /nfs/dbraw/zinc/71/84/24/710718424.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030340 710718428 /nfs/dbraw/zinc/71/84/28/710718428.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030340 710718429 /nfs/dbraw/zinc/71/84/29/710718429.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000723909398 710734569 /nfs/dbraw/zinc/73/45/69/710734569.db2.gz NVSLTXNGUGIHFU-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)O[C@H]1CCOC1 ZINC000724922234 710748834 /nfs/dbraw/zinc/74/88/34/710748834.db2.gz PMRQGZSFEWBJLJ-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)O[C@H]1CCOC1 ZINC000724922234 710748838 /nfs/dbraw/zinc/74/88/38/710748838.db2.gz PMRQGZSFEWBJLJ-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@H+](CCO[C@@H]1CCOC1)[C@@H](CN)C1CC1 ZINC000724917213 710749120 /nfs/dbraw/zinc/74/91/20/710749120.db2.gz XGZIVSVPEQMUSL-NEPJUHHUSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)[C@@H](CN)C1CC1 ZINC000724917213 710749124 /nfs/dbraw/zinc/74/91/24/710749124.db2.gz XGZIVSVPEQMUSL-NEPJUHHUSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CCO[C@@H]1CCOC1)[C@@H](C[NH3+])C1CC1 ZINC000724917213 710749128 /nfs/dbraw/zinc/74/91/28/710749128.db2.gz XGZIVSVPEQMUSL-NEPJUHHUSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)[C@@H](C[NH3+])C1CC1 ZINC000724917213 710749130 /nfs/dbraw/zinc/74/91/30/710749130.db2.gz XGZIVSVPEQMUSL-NEPJUHHUSA-N 2 1 228.336 0.461 20 0 BCADMP CC[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724920735 710749305 /nfs/dbraw/zinc/74/93/05/710749305.db2.gz HTWJUYHROWBMPN-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382079883 710773582 /nfs/dbraw/zinc/77/35/82/710773582.db2.gz VOPVYPHJAXXGMF-RJRAAQABSA-N 2 1 224.348 0.733 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044295897 710823147 /nfs/dbraw/zinc/82/31/47/710823147.db2.gz BHLHITJVJGRFLE-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC[NH2+]C1CC1 ZINC000399379644 710910798 /nfs/dbraw/zinc/91/07/98/710910798.db2.gz WCVWRHGALWWYSS-ZYHUDNBSSA-N 2 1 212.337 0.974 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000382528965 710972501 /nfs/dbraw/zinc/97/25/01/710972501.db2.gz IYSPRZUGSNFZTD-JTQLQIEISA-N 2 1 227.352 0.442 20 0 BCADMP OC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382629953 710973189 /nfs/dbraw/zinc/97/31/89/710973189.db2.gz QHKGPVBDRKQDQX-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382629953 710973190 /nfs/dbraw/zinc/97/31/90/710973190.db2.gz QHKGPVBDRKQDQX-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383360214 710979840 /nfs/dbraw/zinc/97/98/40/710979840.db2.gz WGOSZRAAVYSPSL-QSLWVIQJSA-N 2 1 237.391 0.913 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CCCCC[NH3+] ZINC000383896418 710986789 /nfs/dbraw/zinc/98/67/89/710986789.db2.gz VPCLPJFWDRJAPY-UHFFFAOYSA-N 2 1 238.335 0.827 20 0 BCADMP C[N@@H+](CCCCCCO)C1CC([NH3+])C1 ZINC000384707740 710995743 /nfs/dbraw/zinc/99/57/43/710995743.db2.gz CQGZPVSLKDUPCW-UHFFFAOYSA-N 2 1 200.326 0.961 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000384839532 710998243 /nfs/dbraw/zinc/99/82/43/710998243.db2.gz IBAWALZUIXVXGH-MWLCHTKSSA-N 2 1 216.325 0.317 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000384839530 710998422 /nfs/dbraw/zinc/99/84/22/710998422.db2.gz IBAWALZUIXVXGH-GXSJLCMTSA-N 2 1 216.325 0.317 20 0 BCADMP CCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385390868 711012890 /nfs/dbraw/zinc/01/28/90/711012890.db2.gz UUOFPMWBIPKICR-JTQLQIEISA-N 2 1 216.325 0.197 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385390868 711012893 /nfs/dbraw/zinc/01/28/93/711012893.db2.gz UUOFPMWBIPKICR-JTQLQIEISA-N 2 1 216.325 0.197 20 0 BCADMP Cn1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)n1 ZINC000385495222 711014435 /nfs/dbraw/zinc/01/44/35/711014435.db2.gz JBBCGMWCKQRTMC-KYYPQDQFSA-N 2 1 246.358 0.549 20 0 BCADMP CC1(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000387895141 711047492 /nfs/dbraw/zinc/04/74/92/711047492.db2.gz SNNWCDGXNWMHHZ-RYUDHWBXSA-N 2 1 242.363 0.146 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000387895141 711047495 /nfs/dbraw/zinc/04/74/95/711047495.db2.gz SNNWCDGXNWMHHZ-RYUDHWBXSA-N 2 1 242.363 0.146 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000389664465 711085655 /nfs/dbraw/zinc/08/56/55/711085655.db2.gz STKMIYKSQJWWQN-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCCCCC[NH3+] ZINC000389646010 711085664 /nfs/dbraw/zinc/08/56/64/711085664.db2.gz SVBXMTONICOVCK-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(F)F ZINC000389953139 711099876 /nfs/dbraw/zinc/09/98/76/711099876.db2.gz YETARJAIMZVJCT-JGVFFNPUSA-N 2 1 210.268 0.984 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1C[NH3+] ZINC000390583762 711127052 /nfs/dbraw/zinc/12/70/52/711127052.db2.gz QBGVHQAQPSIVHG-WDEREUQCSA-N 2 1 223.324 0.195 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](CN)C1CC1 ZINC000390612052 711127797 /nfs/dbraw/zinc/12/77/97/711127797.db2.gz FJXNLWKWGQLBAU-ADEWGFFLSA-N 2 1 211.353 0.783 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)C1CC1 ZINC000393761042 711172311 /nfs/dbraw/zinc/17/23/11/711172311.db2.gz WRTXKBHBVXNYQE-GFCCVEGCSA-N 2 1 223.320 0.942 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000393823722 711176926 /nfs/dbraw/zinc/17/69/26/711176926.db2.gz BFZOQZVGVWSSAS-FRRDWIJNSA-N 2 1 243.395 0.323 20 0 BCADMP CC[C@H]1C[N@H+](C(COC)COC)CC[C@H]1[NH3+] ZINC000395339116 711209016 /nfs/dbraw/zinc/20/90/16/711209016.db2.gz ARNBANXJCXOXEO-CMPLNLGQSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396554186 711354214 /nfs/dbraw/zinc/35/42/14/711354214.db2.gz FXXKTUJIVRVQDJ-UKKRHICBSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000396580113 711357146 /nfs/dbraw/zinc/35/71/46/711357146.db2.gz FAUQZFIVOIJVGK-YYJSSNLHSA-N 2 1 239.363 0.761 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396581691 711357239 /nfs/dbraw/zinc/35/72/39/711357239.db2.gz PLKNZAHEQNVPKX-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396581687 711357712 /nfs/dbraw/zinc/35/77/12/711357712.db2.gz PLKNZAHEQNVPKX-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396608610 711359658 /nfs/dbraw/zinc/35/96/58/711359658.db2.gz PVPXSUDMXOEIGS-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396612548 711361797 /nfs/dbraw/zinc/36/17/97/711361797.db2.gz FEVOYNHUUGBEIT-GMTAPVOTSA-N 2 1 216.325 0.114 20 0 BCADMP C[C@H]1C[N@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176062 711404209 /nfs/dbraw/zinc/40/42/09/711404209.db2.gz KACHRZOUCKFAGB-JGVFFNPUSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@H]1C[N@@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176062 711404215 /nfs/dbraw/zinc/40/42/15/711404215.db2.gz KACHRZOUCKFAGB-JGVFFNPUSA-N 2 1 208.252 0.895 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381061583 710599847 /nfs/dbraw/zinc/59/98/47/710599847.db2.gz LGWUUPXPMHYVPF-MXWKQRLJSA-N 2 1 227.352 0.428 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000385007120 711002628 /nfs/dbraw/zinc/00/26/28/711002628.db2.gz WYHCNXMNTQRSTF-GFCCVEGCSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000396645280 711362800 /nfs/dbraw/zinc/36/28/00/711362800.db2.gz BYKUTBHWONTIDL-WDEREUQCSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000396708385 711367658 /nfs/dbraw/zinc/36/76/58/711367658.db2.gz PQAGLFVTFNDLQW-FIQHERPVSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccnn1C ZINC000396727026 711368545 /nfs/dbraw/zinc/36/85/45/711368545.db2.gz WTLJJZRKZJOAHI-JQWIXIFHSA-N 2 1 222.336 0.693 20 0 BCADMP CON(C)C(=O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000397541874 711386238 /nfs/dbraw/zinc/38/62/38/711386238.db2.gz XIQYGJHAVJMQCA-VHSXEESVSA-N 2 1 229.324 0.079 20 0 BCADMP CON(C)C(=O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397541879 711386715 /nfs/dbraw/zinc/38/67/15/711386715.db2.gz XIQYGJHAVJMQCA-ZJUUUORDSA-N 2 1 229.324 0.079 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NCC1(O)CC[NH+](C)CC1 ZINC000397552789 711386904 /nfs/dbraw/zinc/38/69/04/711386904.db2.gz ZLRCCFWVEZTWRH-VXGBXAGGSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552789 711386908 /nfs/dbraw/zinc/38/69/08/711386908.db2.gz ZLRCCFWVEZTWRH-VXGBXAGGSA-N 3 1 241.379 0.173 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075108709 711445252 /nfs/dbraw/zinc/44/52/52/711445252.db2.gz FAPWAKBHSIPZMO-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP c1cn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000383203547 711466576 /nfs/dbraw/zinc/46/65/76/711466576.db2.gz VUBGMQYZGHRDDZ-OBPIAQAESA-N 2 1 232.331 0.469 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249249 711493763 /nfs/dbraw/zinc/49/37/63/711493763.db2.gz SWXGQMIZGFGFKN-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249249 711493765 /nfs/dbraw/zinc/49/37/65/711493765.db2.gz SWXGQMIZGFGFKN-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723692461 711534117 /nfs/dbraw/zinc/53/41/17/711534117.db2.gz YETUFKYFXSMJST-SECBINFHSA-N 2 1 210.281 0.549 20 0 BCADMP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697862 711535039 /nfs/dbraw/zinc/53/50/39/711535039.db2.gz CXVCWMKXJDMZBG-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713675 711535999 /nfs/dbraw/zinc/53/59/99/711535999.db2.gz XGUVZBBMJRHKJE-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1CC[NH3+] ZINC000723907792 711544704 /nfs/dbraw/zinc/54/47/04/711544704.db2.gz ALAYZPLKAKJYRL-DGCLKSJQSA-N 2 1 236.363 0.879 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907915 711544807 /nfs/dbraw/zinc/54/48/07/711544807.db2.gz OTLNDGGCBSMCIV-OUAUKWLOSA-N 2 1 228.336 0.855 20 0 BCADMP CCOC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899558 711544847 /nfs/dbraw/zinc/54/48/47/711544847.db2.gz DSLCJUDBAMSPAC-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000723961283 711547581 /nfs/dbraw/zinc/54/75/81/711547581.db2.gz CLIWYZDFYKPKDL-GHMZBOCLSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1cn(C)nc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000723961283 711547582 /nfs/dbraw/zinc/54/75/82/711547582.db2.gz CLIWYZDFYKPKDL-GHMZBOCLSA-N 2 1 222.336 0.898 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000724190645 711568342 /nfs/dbraw/zinc/56/83/42/711568342.db2.gz ZNLRKZHMKRJSCX-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000724190645 711568344 /nfs/dbraw/zinc/56/83/44/711568344.db2.gz ZNLRKZHMKRJSCX-RWMBFGLXSA-N 2 1 244.379 0.797 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309061086 711585812 /nfs/dbraw/zinc/58/58/12/711585812.db2.gz VXTZSZSVAWWENH-QWRGUYRKSA-N 2 1 216.325 0.055 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724564425 711592894 /nfs/dbraw/zinc/59/28/94/711592894.db2.gz TUATZSLFDVGVFZ-WUHRBBMRSA-N 2 1 240.347 0.461 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724601520 711596952 /nfs/dbraw/zinc/59/69/52/711596952.db2.gz TYUMNOUVFGMMFA-MROQNXINSA-N 2 1 240.347 0.461 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000724892439 711626358 /nfs/dbraw/zinc/62/63/58/711626358.db2.gz ZXNMXVLOLOEQIL-VXGBXAGGSA-N 2 1 239.319 0.585 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724924584 711629385 /nfs/dbraw/zinc/62/93/85/711629385.db2.gz YGQCGHKTVVZWJG-OLZOCXBDSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724923856 711629399 /nfs/dbraw/zinc/62/93/99/711629399.db2.gz FOUHIIOQPNCCAI-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)O[C@H]1CCOC1 ZINC000724935784 711631135 /nfs/dbraw/zinc/63/11/35/711631135.db2.gz KBUUYEKMMTYKMQ-AGIUHOORSA-N 2 1 240.347 0.618 20 0 BCADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)O[C@H]1CCOC1 ZINC000724935784 711631136 /nfs/dbraw/zinc/63/11/36/711631136.db2.gz KBUUYEKMMTYKMQ-AGIUHOORSA-N 2 1 240.347 0.618 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925571785 711703101 /nfs/dbraw/zinc/70/31/01/711703101.db2.gz JAZHMCAJWSRIJF-RYUDHWBXSA-N 2 1 242.363 0.912 20 0 BCADMP COCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353211 711717861 /nfs/dbraw/zinc/71/78/61/711717861.db2.gz PAQUZSVTPKLCDV-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722184856 711718120 /nfs/dbraw/zinc/71/81/20/711718120.db2.gz XHRDUMOTYLRLPR-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000925788112 711751896 /nfs/dbraw/zinc/75/18/96/711751896.db2.gz YFCQXZDNDOMXAG-NDBYEHHHSA-N 2 1 225.380 0.949 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C ZINC000928564105 711778605 /nfs/dbraw/zinc/77/86/05/711778605.db2.gz UDOYCKWFTGTSIE-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C ZINC000928564105 711778606 /nfs/dbraw/zinc/77/86/06/711778606.db2.gz UDOYCKWFTGTSIE-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928564105 711778608 /nfs/dbraw/zinc/77/86/08/711778608.db2.gz UDOYCKWFTGTSIE-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928564105 711778609 /nfs/dbraw/zinc/77/86/09/711778609.db2.gz UDOYCKWFTGTSIE-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928565793 711779194 /nfs/dbraw/zinc/77/91/94/711779194.db2.gz MPBRLNSVSGTXPM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928565793 711779195 /nfs/dbraw/zinc/77/91/95/711779195.db2.gz MPBRLNSVSGTXPM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928565793 711779196 /nfs/dbraw/zinc/77/91/96/711779196.db2.gz MPBRLNSVSGTXPM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928565793 711779197 /nfs/dbraw/zinc/77/91/97/711779197.db2.gz MPBRLNSVSGTXPM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000160044965 711805427 /nfs/dbraw/zinc/80/54/27/711805427.db2.gz BPVLKTUPKGWBOW-NSHDSACASA-N 2 1 225.336 0.280 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054547 711805710 /nfs/dbraw/zinc/80/57/10/711805710.db2.gz JFMKNSGSWVSQHH-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000226027849 711830017 /nfs/dbraw/zinc/83/00/17/711830017.db2.gz SRLZDYYUQCUDMJ-HRDYMLBCSA-N 2 1 240.269 0.969 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000226027849 711830018 /nfs/dbraw/zinc/83/00/18/711830018.db2.gz SRLZDYYUQCUDMJ-HRDYMLBCSA-N 2 1 240.269 0.969 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726961 711893455 /nfs/dbraw/zinc/89/34/55/711893455.db2.gz MFYUODVFSYXRPL-TUAOUCFPSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726961 711893456 /nfs/dbraw/zinc/89/34/56/711893456.db2.gz MFYUODVFSYXRPL-TUAOUCFPSA-N 2 1 230.352 0.443 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000069724249 711893518 /nfs/dbraw/zinc/89/35/18/711893518.db2.gz AEMGIWIKYPJNER-VHSXEESVSA-N 2 1 212.293 0.363 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000069724244 711893565 /nfs/dbraw/zinc/89/35/65/711893565.db2.gz AEMGIWIKYPJNER-NXEZZACHSA-N 2 1 212.293 0.363 20 0 BCADMP COC[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000721918710 711920063 /nfs/dbraw/zinc/92/00/63/711920063.db2.gz LLZOGXYBOYVJDF-QWHCGFSZSA-N 2 1 244.379 0.955 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721928201 711937796 /nfs/dbraw/zinc/93/77/96/711937796.db2.gz PDIOWLQCLUSYNN-WISYIIOYSA-N 2 1 228.336 0.459 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721928201 711937797 /nfs/dbraw/zinc/93/77/97/711937797.db2.gz PDIOWLQCLUSYNN-WISYIIOYSA-N 2 1 228.336 0.459 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000721937923 711941031 /nfs/dbraw/zinc/94/10/31/711941031.db2.gz AMKMOUMRSGEWIU-CIWCUSHGSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](CCF)C2)C1 ZINC000700588753 711999226 /nfs/dbraw/zinc/99/92/26/711999226.db2.gz VSKSRRMKVUERFI-OUAUKWLOSA-N 2 1 216.300 0.784 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCO)CC[C@H]1C(F)(F)F ZINC000700798228 712005901 /nfs/dbraw/zinc/00/59/01/712005901.db2.gz VXYQYGUVNPHWMH-HTQZYQBOSA-N 2 1 226.242 0.438 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCO)CC[C@H]1C(F)(F)F ZINC000700798228 712005903 /nfs/dbraw/zinc/00/59/03/712005903.db2.gz VXYQYGUVNPHWMH-HTQZYQBOSA-N 2 1 226.242 0.438 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000702271733 712043864 /nfs/dbraw/zinc/04/38/64/712043864.db2.gz BQXPQDBNANOUDB-DCAQKATOSA-N 2 1 230.377 0.585 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000702447708 712053843 /nfs/dbraw/zinc/05/38/43/712053843.db2.gz CFPDLAYOGKMVGC-HBIQZDMRSA-N 2 1 212.337 0.878 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703465456 712075735 /nfs/dbraw/zinc/07/57/35/712075735.db2.gz BRIBJTMYJMBQHG-ILDUYXDCSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035124388 712114312 /nfs/dbraw/zinc/11/43/12/712114312.db2.gz MKSDZRPOLCKLOF-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CO[C@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000705352003 712130269 /nfs/dbraw/zinc/13/02/69/712130269.db2.gz HITUCWJNUNEKMZ-WVMKXHBISA-N 2 1 242.363 0.599 20 0 BCADMP CCO[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000706545825 712149286 /nfs/dbraw/zinc/14/92/86/712149286.db2.gz YWKLALYIVNYLRY-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]1C ZINC000706763302 712154406 /nfs/dbraw/zinc/15/44/06/712154406.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461487 712222476 /nfs/dbraw/zinc/22/24/76/712222476.db2.gz IYUMLAFRSRPJGU-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP CCOC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709785615 712226982 /nfs/dbraw/zinc/22/69/82/712226982.db2.gz FXVRGQDCTRPVDB-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCOC1=O ZINC000710713401 712254587 /nfs/dbraw/zinc/25/45/87/712254587.db2.gz ICMCABXLBKLKHP-JTQLQIEISA-N 2 1 214.309 0.753 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308647 712294086 /nfs/dbraw/zinc/29/40/86/712294086.db2.gz AWDXRIUKKSEMHF-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CF)C1 ZINC000711440214 712300981 /nfs/dbraw/zinc/30/09/81/712300981.db2.gz CWIGEDKNRYJUTP-JTQLQIEISA-N 2 1 204.289 0.643 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC1CC1 ZINC000711755680 712324725 /nfs/dbraw/zinc/32/47/25/712324725.db2.gz YCHRNXOTGBTSLF-JQWIXIFHSA-N 2 1 210.321 0.849 20 0 BCADMP OCC[NH2+]C1CC[NH+](CCOC2CC2)CC1 ZINC000711776428 712327871 /nfs/dbraw/zinc/32/78/71/712327871.db2.gz IGDUQVUFLSMSSZ-UHFFFAOYSA-N 2 1 228.336 0.212 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479773 712334155 /nfs/dbraw/zinc/33/41/55/712334155.db2.gz SOIIPACRTSXBEU-RYUDHWBXSA-N 3 1 239.363 0.036 20 0 BCADMP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487805 712334233 /nfs/dbraw/zinc/33/42/33/712334233.db2.gz NVYFLOLFURCTOY-WCQYABFASA-N 2 1 247.342 0.884 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479776 712334238 /nfs/dbraw/zinc/33/42/38/712334238.db2.gz SOIIPACRTSXBEU-VXGBXAGGSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000923480259 712334732 /nfs/dbraw/zinc/33/47/32/712334732.db2.gz HALWMBQWEAOOHL-SNVBAGLBSA-N 2 1 241.314 0.418 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000923480259 712334733 /nfs/dbraw/zinc/33/47/33/712334733.db2.gz HALWMBQWEAOOHL-SNVBAGLBSA-N 2 1 241.314 0.418 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000712577587 712432762 /nfs/dbraw/zinc/43/27/62/712432762.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712577587 712432763 /nfs/dbraw/zinc/43/27/63/712432763.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577587 712432764 /nfs/dbraw/zinc/43/27/64/712432764.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[C@H](C)[NH3+] ZINC000712672061 712440566 /nfs/dbraw/zinc/44/05/66/712440566.db2.gz GANSASAYGXPONF-MNOVXSKESA-N 2 1 241.379 0.912 20 0 BCADMP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558488 712445670 /nfs/dbraw/zinc/44/56/70/712445670.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712558488 712445673 /nfs/dbraw/zinc/44/56/73/712445673.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712558488 712445675 /nfs/dbraw/zinc/44/56/75/712445675.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574852 712448290 /nfs/dbraw/zinc/44/82/90/712448290.db2.gz DNJOXHMOKWJFBS-GHMZBOCLSA-N 2 1 238.339 0.122 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227607 712455606 /nfs/dbraw/zinc/45/56/06/712455606.db2.gz XDGBCUCEQAXMBP-BLFANLJRSA-N 2 1 237.347 0.324 20 0 BCADMP C[N@@H+](CCN)CCCOC(F)(F)F ZINC000713402493 712458990 /nfs/dbraw/zinc/45/89/90/712458990.db2.gz VMEMWQLNQKTSJS-UHFFFAOYSA-N 2 1 200.204 0.803 20 0 BCADMP CC[N@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925489839 712615562 /nfs/dbraw/zinc/61/55/62/712615562.db2.gz AOPCVFHLKMMUDV-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000930163217 712616042 /nfs/dbraw/zinc/61/60/42/712616042.db2.gz RFNVOGBNLFYPPS-CPCISQLKSA-N 2 1 209.293 0.839 20 0 BCADMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000379870114 712619496 /nfs/dbraw/zinc/61/94/96/712619496.db2.gz QDKBXMCJCLRKAA-JTQLQIEISA-N 2 1 210.325 0.219 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000037718547 712750023 /nfs/dbraw/zinc/75/00/23/712750023.db2.gz ZUOKONJYIWGUFJ-GFCCVEGCSA-N 2 1 205.305 0.905 20 0 BCADMP CC[NH+]1CCC([NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000718453959 712763280 /nfs/dbraw/zinc/76/32/80/712763280.db2.gz DAYIGHFCWQBNLN-UHFFFAOYSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1[C@@H](NC[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000719634349 712815155 /nfs/dbraw/zinc/81/51/55/712815155.db2.gz BLGYUSGOPPUTFS-RTXFEEFZSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000719634349 712815159 /nfs/dbraw/zinc/81/51/59/712815159.db2.gz BLGYUSGOPPUTFS-RTXFEEFZSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1[C@H](NC[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000719640693 712818937 /nfs/dbraw/zinc/81/89/37/712818937.db2.gz KYFVFYGXQDJKKD-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000380232978 712835284 /nfs/dbraw/zinc/83/52/84/712835284.db2.gz RUTTXZVAYXWDTJ-QWHCGFSZSA-N 2 1 240.347 0.724 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000380232978 712835286 /nfs/dbraw/zinc/83/52/86/712835286.db2.gz RUTTXZVAYXWDTJ-QWHCGFSZSA-N 2 1 240.347 0.724 20 0 BCADMP C[NH2+]CCN(CC[NH+]1CCOCC1)C(C)C ZINC000720747200 712863172 /nfs/dbraw/zinc/86/31/72/712863172.db2.gz JXNDKWDDTUSESI-UHFFFAOYSA-N 2 1 229.368 0.248 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720802384 712866498 /nfs/dbraw/zinc/86/64/98/712866498.db2.gz BONZIZPJTZBPRC-HRDYMLBCSA-N 2 1 240.269 0.826 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH3+] ZINC000720886018 712874536 /nfs/dbraw/zinc/87/45/36/712874536.db2.gz GSBVTDUHXIRHII-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884551 712874634 /nfs/dbraw/zinc/87/46/34/712874634.db2.gz CCRCQZDKMZPGLD-UWVGGRQHSA-N 2 1 223.320 0.173 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720898701 712874901 /nfs/dbraw/zinc/87/49/01/712874901.db2.gz KWSFPEUWYGCSKX-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720899757 712874982 /nfs/dbraw/zinc/87/49/82/712874982.db2.gz MVQMXFBRXHAOHS-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720898675 712875184 /nfs/dbraw/zinc/87/51/84/712875184.db2.gz KQCQDSXKIWEKQG-SDDRHHMPSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720898764 712875333 /nfs/dbraw/zinc/87/53/33/712875333.db2.gz LDQCHINXUBFPQF-BJDJZHNGSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720898766 712875438 /nfs/dbraw/zinc/87/54/38/712875438.db2.gz LDQCHINXUBFPQF-FIQHERPVSA-N 2 1 239.363 0.665 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901454 712875831 /nfs/dbraw/zinc/87/58/31/712875831.db2.gz SALRTASNGGPNAT-DDHJBXDOSA-N 2 1 237.347 0.419 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904082 712876147 /nfs/dbraw/zinc/87/61/47/712876147.db2.gz WOYQZWDYQAPBGX-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896249 712876534 /nfs/dbraw/zinc/87/65/34/712876534.db2.gz PVSURXCYYHJAKG-JHJVBQTASA-N 2 1 223.364 0.907 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720897368 712876550 /nfs/dbraw/zinc/87/65/50/712876550.db2.gz HATCIPPQPKDZAP-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720897372 712876614 /nfs/dbraw/zinc/87/66/14/712876614.db2.gz HATCIPPQPKDZAP-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720895500 712876851 /nfs/dbraw/zinc/87/68/51/712876851.db2.gz XWGJZHOOZNRBSB-KXUCPTDWSA-N 2 1 211.309 0.029 20 0 BCADMP CC(C)[N@@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038789 712887708 /nfs/dbraw/zinc/88/77/08/712887708.db2.gz UPJTWENKLUDONR-ZJUUUORDSA-N 2 1 213.325 0.038 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038789 712887710 /nfs/dbraw/zinc/88/77/10/712887710.db2.gz UPJTWENKLUDONR-ZJUUUORDSA-N 2 1 213.325 0.038 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721040678 712888163 /nfs/dbraw/zinc/88/81/63/712888163.db2.gz WQOXFIHXOCRZNV-UTUOFQBUSA-N 2 1 239.363 0.300 20 0 BCADMP C[N@H+]1CCO[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001164670436 719369325 /nfs/dbraw/zinc/36/93/25/719369325.db2.gz UUTOJRJBDUTJJM-MNOVXSKESA-N 2 1 234.303 0.183 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633643 719181255 /nfs/dbraw/zinc/18/12/55/719181255.db2.gz HWGDZDIUXRRRML-VHSXEESVSA-N 2 1 235.335 0.464 20 0 BCADMP CC[NH2+]CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418330678 192025309 /nfs/dbraw/zinc/02/53/09/192025309.db2.gz WHUIITAQOPOPLL-UHFFFAOYSA-N 2 1 240.351 0.157 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000228765320 168321814 /nfs/dbraw/zinc/32/18/14/168321814.db2.gz MFDHLWFVXMXZFT-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322655 398144611 /nfs/dbraw/zinc/14/46/11/398144611.db2.gz CTSBPLBCNJVZFY-NDBYEHHHSA-N 2 1 249.358 0.052 20 0 BCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322627 398144636 /nfs/dbraw/zinc/14/46/36/398144636.db2.gz AUCQBSUMAHAYQY-LPWJVIDDSA-N 2 1 249.358 0.337 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153239004 136212779 /nfs/dbraw/zinc/21/27/79/136212779.db2.gz PXVOZVYZVUQVSD-QWRGUYRKSA-N 2 1 227.352 0.535 20 0 BCADMP Nc1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000258039722 349491498 /nfs/dbraw/zinc/49/14/98/349491498.db2.gz QBEDXJJXRHCLLZ-UHFFFAOYSA-N 2 1 212.322 0.567 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342228 398158712 /nfs/dbraw/zinc/15/87/12/398158712.db2.gz VEAFVWBFRIOJGL-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341938 398159021 /nfs/dbraw/zinc/15/90/21/398159021.db2.gz AYWZTVUXDRRRBF-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1C ZINC000649333346 398149856 /nfs/dbraw/zinc/14/98/56/398149856.db2.gz NQNHGZLCUPKNKP-RNWYCLNJSA-N 2 1 237.347 0.051 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341526 398157968 /nfs/dbraw/zinc/15/79/68/398157968.db2.gz DKZSJFLXDQPWSM-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348656 398162205 /nfs/dbraw/zinc/16/22/05/398162205.db2.gz PXGIMJUDZMXHSG-VXJWHYQWSA-N 2 1 249.358 0.336 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423020357 398162555 /nfs/dbraw/zinc/16/25/55/398162555.db2.gz BBPWGTOLLKOWKM-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH2+]CCOC)C1 ZINC000423343894 398166274 /nfs/dbraw/zinc/16/62/74/398166274.db2.gz WJPNAXWEDLZHCA-NEPJUHHUSA-N 2 1 229.368 0.152 20 0 BCADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396740386 398167145 /nfs/dbraw/zinc/16/71/45/398167145.db2.gz OWMSCBRZKHVKIC-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000380100818 398185950 /nfs/dbraw/zinc/18/59/50/398185950.db2.gz XGRAUVCIQQINJI-QWHCGFSZSA-N 2 1 246.395 0.902 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000385812783 398189491 /nfs/dbraw/zinc/18/94/91/398189491.db2.gz ZOHRWSPHWXQPFA-STQMWFEESA-N 2 1 249.362 0.742 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000385812783 398189492 /nfs/dbraw/zinc/18/94/92/398189492.db2.gz ZOHRWSPHWXQPFA-STQMWFEESA-N 2 1 249.362 0.742 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cnccn1 ZINC000576230623 365531193 /nfs/dbraw/zinc/53/11/93/365531193.db2.gz IVTNBMMWTCQRIZ-LLVKDONJSA-N 2 1 220.320 0.908 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446391554 398204309 /nfs/dbraw/zinc/20/43/09/398204309.db2.gz AGLLMHYGVAPDAD-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446396497 398204538 /nfs/dbraw/zinc/20/45/38/398204538.db2.gz KCOBAGYGJZXEGU-MNOVXSKESA-N 2 1 227.352 0.713 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC[NH3+] ZINC000237079502 187327924 /nfs/dbraw/zinc/32/79/24/187327924.db2.gz BBXALNIXUNHZPG-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CC[NH2+]CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643505392 398213907 /nfs/dbraw/zinc/21/39/07/398213907.db2.gz WSKYACBCFCQRCH-LLVKDONJSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CC[NH2+]C1 ZINC000649411829 398214066 /nfs/dbraw/zinc/21/40/66/398214066.db2.gz HZYVOJKQQMHINW-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+](Cc1cnn(C)c1)C[C@H]1CC[NH2+]C1 ZINC000649411829 398214070 /nfs/dbraw/zinc/21/40/70/398214070.db2.gz HZYVOJKQQMHINW-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000649412604 398215067 /nfs/dbraw/zinc/21/50/67/398215067.db2.gz WWIDQCBKOCXMSE-YPMHNXCESA-N 2 1 223.364 0.764 20 0 BCADMP Cc1noc(CCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000576346688 365571575 /nfs/dbraw/zinc/57/15/75/365571575.db2.gz VNBGPJQGKZHYHM-MWLCHTKSSA-N 2 1 238.335 0.980 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC000380993668 398216599 /nfs/dbraw/zinc/21/65/99/398216599.db2.gz LTRQMUNVEGMONL-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC000380993668 398216601 /nfs/dbraw/zinc/21/66/01/398216601.db2.gz LTRQMUNVEGMONL-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000576361078 365577729 /nfs/dbraw/zinc/57/77/29/365577729.db2.gz MMLJVUSBFHDLNO-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCC[NH3+])C[C@H]1C ZINC000418367177 192028972 /nfs/dbraw/zinc/02/89/72/192028972.db2.gz ZDIQPMBKLLXWOG-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1cc(NC[C@](C)(O)C[NH+](C)C)nc(C)[nH+]1 ZINC000133031626 178170263 /nfs/dbraw/zinc/17/02/63/178170263.db2.gz KCUOWKBWWAABBE-LBPRGKRZSA-N 2 1 238.335 0.818 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCC[NH3+])C[C@@H]1C ZINC000418367183 192028636 /nfs/dbraw/zinc/02/86/36/192028636.db2.gz ZDIQPMBKLLXWOG-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP O=C(CCN1CCC(F)(F)C1)N1CCNCC1 ZINC000313415498 398229577 /nfs/dbraw/zinc/22/95/77/398229577.db2.gz YAYFFGNJHGWRKK-UHFFFAOYSA-N 2 1 247.289 0.149 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CCC1CC[NH2+]CC1 ZINC000190285095 398227317 /nfs/dbraw/zinc/22/73/17/398227317.db2.gz WZUWLZIBSAWFGD-UHFFFAOYSA-N 2 1 249.305 0.476 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430564429 398227633 /nfs/dbraw/zinc/22/76/33/398227633.db2.gz BASYCIDBWGSCMY-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430564429 398227639 /nfs/dbraw/zinc/22/76/39/398227639.db2.gz BASYCIDBWGSCMY-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[NH+](C)C ZINC000561365194 323000390 /nfs/dbraw/zinc/00/03/90/323000390.db2.gz FACJZDWVOFAJQL-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[NH+](C)C ZINC000561365194 323000391 /nfs/dbraw/zinc/00/03/91/323000391.db2.gz FACJZDWVOFAJQL-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430759002 398230885 /nfs/dbraw/zinc/23/08/85/398230885.db2.gz FAWGICLFOIDAFB-HBNTYKKESA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H](CNC(=O)C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430759981 398231147 /nfs/dbraw/zinc/23/11/47/398231147.db2.gz HTTZKBDUMIKJRV-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH+](CC(=O)NCC[N@H+](C)C1CC1)C1CCC1 ZINC000629952155 361796929 /nfs/dbraw/zinc/79/69/29/361796929.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC000629952155 361796930 /nfs/dbraw/zinc/79/69/30/361796930.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC000629952155 361796932 /nfs/dbraw/zinc/79/69/32/361796932.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC000629955751 361799914 /nfs/dbraw/zinc/79/99/14/361799914.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629955751 361799919 /nfs/dbraw/zinc/79/99/19/361799919.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629955751 361799926 /nfs/dbraw/zinc/79/99/26/361799926.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629943328 361783582 /nfs/dbraw/zinc/78/35/82/361783582.db2.gz TWISTRUOJQZFRZ-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629943328 361783588 /nfs/dbraw/zinc/78/35/88/361783588.db2.gz TWISTRUOJQZFRZ-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000576466260 365603519 /nfs/dbraw/zinc/60/35/19/365603519.db2.gz JPBDVIOOZMQCRH-VXNVDRBHSA-N 2 1 247.289 0.192 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000380023624 398243408 /nfs/dbraw/zinc/24/34/08/398243408.db2.gz XQPUCEAVXDWOGL-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000380112026 398244147 /nfs/dbraw/zinc/24/41/47/398244147.db2.gz KWXNJYSLNBPRHQ-NEPJUHHUSA-N 2 1 242.363 0.730 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000380112026 398244151 /nfs/dbraw/zinc/24/41/51/398244151.db2.gz KWXNJYSLNBPRHQ-NEPJUHHUSA-N 2 1 242.363 0.730 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000576584221 365630360 /nfs/dbraw/zinc/63/03/60/365630360.db2.gz BLXHHCUEEQBILB-CYBMUJFWSA-N 2 1 235.331 0.846 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308675 398253260 /nfs/dbraw/zinc/25/32/60/398253260.db2.gz KSRCJIBGGUUIIQ-MNOVXSKESA-N 3 1 215.341 0.021 20 0 BCADMP CC[C@@H]1CN(CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308675 398253264 /nfs/dbraw/zinc/25/32/64/398253264.db2.gz KSRCJIBGGUUIIQ-MNOVXSKESA-N 2 1 215.341 0.021 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381277997 398249655 /nfs/dbraw/zinc/24/96/55/398249655.db2.gz XKARINXHBGLUFQ-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258532 /nfs/dbraw/zinc/25/85/32/398258532.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258536 /nfs/dbraw/zinc/25/85/36/398258536.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258538 /nfs/dbraw/zinc/25/85/38/398258538.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258542 /nfs/dbraw/zinc/25/85/42/398258542.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000381363315 398254616 /nfs/dbraw/zinc/25/46/16/398254616.db2.gz FPDCGAUSPOZWIN-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000381363315 398254620 /nfs/dbraw/zinc/25/46/20/398254620.db2.gz FPDCGAUSPOZWIN-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990307 488178418 /nfs/dbraw/zinc/17/84/18/488178418.db2.gz HCOOTCNJKGDFRC-XQHKEYJVSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990307 488178421 /nfs/dbraw/zinc/17/84/21/488178421.db2.gz HCOOTCNJKGDFRC-XQHKEYJVSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925563 398274108 /nfs/dbraw/zinc/27/41/08/398274108.db2.gz LPKCEHZERVMQOS-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219249500 342687477 /nfs/dbraw/zinc/68/74/77/342687477.db2.gz SSWZDUXQMXPMHH-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219249500 342687478 /nfs/dbraw/zinc/68/74/78/342687478.db2.gz SSWZDUXQMXPMHH-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H]1CO[C@@H](CO)CN1CC[C@@H]1CCC[N@H+]1C ZINC000162279204 349612394 /nfs/dbraw/zinc/61/23/94/349612394.db2.gz MKPNUXARRBAXRC-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165422856 361839979 /nfs/dbraw/zinc/83/99/79/361839979.db2.gz KYOGTXDEKNMLLG-VHSXEESVSA-N 2 1 215.341 0.426 20 0 BCADMP CO[C@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381860999 398280484 /nfs/dbraw/zinc/28/04/84/398280484.db2.gz WCOKKCSEDXTBGI-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381860999 398280487 /nfs/dbraw/zinc/28/04/87/398280487.db2.gz WCOKKCSEDXTBGI-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@]1(CN2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000335603755 136236079 /nfs/dbraw/zinc/23/60/79/136236079.db2.gz UOMRPNCSOFLEAF-LBPRGKRZSA-N 2 1 211.353 0.657 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]C)CCC1 ZINC000629999829 361885026 /nfs/dbraw/zinc/88/50/26/361885026.db2.gz BDPZSFWGISAFJF-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000418509041 192044751 /nfs/dbraw/zinc/04/47/51/192044751.db2.gz ATXJBCXALGQJGT-OUAUKWLOSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000379994565 342797312 /nfs/dbraw/zinc/79/73/12/342797312.db2.gz VGWHDOAGFVCHKJ-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP C[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671730 538972208 /nfs/dbraw/zinc/97/22/08/538972208.db2.gz ZPJGYCCPEXTOAO-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP C[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671730 538972210 /nfs/dbraw/zinc/97/22/10/538972210.db2.gz ZPJGYCCPEXTOAO-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000381561276 539003515 /nfs/dbraw/zinc/00/35/15/539003515.db2.gz RHFNEITXVDFIIG-LBPRGKRZSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023803 342855136 /nfs/dbraw/zinc/85/51/36/342855136.db2.gz SZPAPAYGOCOIHD-OPRDCNLKSA-N 2 1 211.309 0.077 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000167341989 136245446 /nfs/dbraw/zinc/24/54/46/136245446.db2.gz HVGIAZIOVOLLQG-PWSUYJOCSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167341443 136245764 /nfs/dbraw/zinc/24/57/64/136245764.db2.gz NGCNSHGCDDZUGY-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000167204898 136244991 /nfs/dbraw/zinc/24/49/91/136244991.db2.gz ZXSBTWOPQARGCI-NSHDSACASA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474772 136246157 /nfs/dbraw/zinc/24/61/57/136246157.db2.gz GRZDOUNXLITWFK-OJAKKHQRSA-N 2 1 249.358 0.419 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000351477254 136246239 /nfs/dbraw/zinc/24/62/39/136246239.db2.gz NCKQYWPPRINMRS-UHTWSYAYSA-N 2 1 232.331 0.954 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000351477254 136246240 /nfs/dbraw/zinc/24/62/40/136246240.db2.gz NCKQYWPPRINMRS-UHTWSYAYSA-N 2 1 232.331 0.954 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000036873044 342912797 /nfs/dbraw/zinc/91/27/97/342912797.db2.gz FRQZSTZLCBPSKQ-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418568841 192051514 /nfs/dbraw/zinc/05/15/14/192051514.db2.gz XOKNCPRWOHVSPY-LLVKDONJSA-N 2 1 240.351 0.285 20 0 BCADMP Cc1n[nH]cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401715255 342913467 /nfs/dbraw/zinc/91/34/67/342913467.db2.gz KSLFVICEDLNINL-UHFFFAOYSA-N 2 1 219.292 0.784 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322436327 488187233 /nfs/dbraw/zinc/18/72/33/488187233.db2.gz QIPGDYIYOCUKQE-UBJLHIIHSA-N 2 1 225.336 0.465 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000564945199 398329228 /nfs/dbraw/zinc/32/92/28/398329228.db2.gz WYUFUWFAKJHHCR-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC(C2CC2)C1)C1CC1 ZINC000642924420 398336748 /nfs/dbraw/zinc/33/67/48/398336748.db2.gz OLVNRUNEFKFMLF-ZDUSSCGKSA-N 2 1 224.348 0.783 20 0 BCADMP CN(C[C@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924420 398336749 /nfs/dbraw/zinc/33/67/49/398336749.db2.gz OLVNRUNEFKFMLF-ZDUSSCGKSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@@H]1CC[N@H+](CCNC(=O)CC(F)(F)C[NH3+])C1 ZINC000581376967 398344326 /nfs/dbraw/zinc/34/43/26/398344326.db2.gz QRWRXURJQRPGCK-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])C1 ZINC000581376967 398344327 /nfs/dbraw/zinc/34/43/27/398344327.db2.gz QRWRXURJQRPGCK-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP CCCCOCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357383 259333794 /nfs/dbraw/zinc/33/37/94/259333794.db2.gz RJZBZEOGGYEKEQ-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP CCCCOCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357383 259333796 /nfs/dbraw/zinc/33/37/96/259333796.db2.gz RJZBZEOGGYEKEQ-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351811817 136254942 /nfs/dbraw/zinc/25/49/42/136254942.db2.gz COSHRIQPSMBJMP-FNFFVJSTSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351811817 136254943 /nfs/dbraw/zinc/25/49/43/136254943.db2.gz COSHRIQPSMBJMP-FNFFVJSTSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351811817 136254944 /nfs/dbraw/zinc/25/49/44/136254944.db2.gz COSHRIQPSMBJMP-FNFFVJSTSA-N 2 1 242.363 0.002 20 0 BCADMP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000020129162 342970561 /nfs/dbraw/zinc/97/05/61/342970561.db2.gz AEEOLIABFAFHQB-UHFFFAOYSA-N 2 1 222.336 0.996 20 0 BCADMP C[NH+]1CCN(C(=O)CN2CC[C@@](C)(F)C2)CC1 ZINC000335901147 136259081 /nfs/dbraw/zinc/25/90/81/136259081.db2.gz NJKDVDVCNCDXIP-GFCCVEGCSA-N 2 1 243.326 0.194 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000357082728 187213813 /nfs/dbraw/zinc/21/38/13/187213813.db2.gz PBWWHQPLMMGMEP-UHFFFAOYSA-N 2 1 242.363 0.854 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044808425 343008318 /nfs/dbraw/zinc/00/83/18/343008318.db2.gz NRELEFTYOFIPFP-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP COC[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309398492 259343467 /nfs/dbraw/zinc/34/34/67/259343467.db2.gz ITFMQTRYNWVYCD-JQWIXIFHSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309398492 259343468 /nfs/dbraw/zinc/34/34/68/259343468.db2.gz ITFMQTRYNWVYCD-JQWIXIFHSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000235724692 343058721 /nfs/dbraw/zinc/05/87/21/343058721.db2.gz GIOFIMSFRWTMTO-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000235724692 343058722 /nfs/dbraw/zinc/05/87/22/343058722.db2.gz GIOFIMSFRWTMTO-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119004613 343065438 /nfs/dbraw/zinc/06/54/38/343065438.db2.gz PAQRGLIFFZRUPY-HBNTYKKESA-N 2 1 200.326 0.830 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000175100583 362026714 /nfs/dbraw/zinc/02/67/14/362026714.db2.gz AAODAFGBWNIPJZ-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP COc1ccncc1C[N@H+](C)CCOCC[NH3+] ZINC000383457019 362026753 /nfs/dbraw/zinc/02/67/53/362026753.db2.gz LDXDRDYAUXQHBE-UHFFFAOYSA-N 2 1 239.319 0.497 20 0 BCADMP COc1ccncc1C[N@@H+](C)CCOCC[NH3+] ZINC000383457019 362026761 /nfs/dbraw/zinc/02/67/61/362026761.db2.gz LDXDRDYAUXQHBE-UHFFFAOYSA-N 2 1 239.319 0.497 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH+](C)C ZINC000628061419 343106721 /nfs/dbraw/zinc/10/67/21/343106721.db2.gz ILQOHQSLCYWPAC-JTQLQIEISA-N 2 1 238.335 0.648 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000237048722 343122003 /nfs/dbraw/zinc/12/20/03/343122003.db2.gz CVJXLITXOWGHAF-SNVBAGLBSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565145 343112371 /nfs/dbraw/zinc/11/23/71/343112371.db2.gz SSWZDUXQMXPMHH-SDDRHHMPSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565145 343112373 /nfs/dbraw/zinc/11/23/73/343112373.db2.gz SSWZDUXQMXPMHH-SDDRHHMPSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565143 343112530 /nfs/dbraw/zinc/11/25/30/343112530.db2.gz SSWZDUXQMXPMHH-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565143 343112533 /nfs/dbraw/zinc/11/25/33/343112533.db2.gz SSWZDUXQMXPMHH-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000237509350 343146967 /nfs/dbraw/zinc/14/69/67/343146967.db2.gz NNRCSPICCULLPK-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000092954973 343149725 /nfs/dbraw/zinc/14/97/25/343149725.db2.gz XIYADQBBJUTHQC-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000576944042 365728008 /nfs/dbraw/zinc/72/80/08/365728008.db2.gz QFPCEEPIBBXHGP-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000124721017 343164894 /nfs/dbraw/zinc/16/48/94/343164894.db2.gz UMHOIRHBZGHHCA-NXEZZACHSA-N 2 1 208.309 0.780 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N(C)C ZINC000126877644 343171187 /nfs/dbraw/zinc/17/11/87/343171187.db2.gz ZQGMBXAAJMBCCZ-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126956892 343171837 /nfs/dbraw/zinc/17/18/37/343171837.db2.gz VVEHRYQCSVLVRC-UTLUCORTSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[N@H+]1C ZINC000157876827 343200147 /nfs/dbraw/zinc/20/01/47/343200147.db2.gz MVLGVVHFTDQNDO-ZYHUDNBSSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000168554652 343210277 /nfs/dbraw/zinc/21/02/77/343210277.db2.gz JGYQQNHSPUJMFZ-GUBZILKMSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000168558181 343210498 /nfs/dbraw/zinc/21/04/98/343210498.db2.gz ODKKJJWPPUYQQK-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569723318 323038734 /nfs/dbraw/zinc/03/87/34/323038734.db2.gz JDTGUVBDJCIVHO-ZYHUDNBSSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400370507 529694985 /nfs/dbraw/zinc/69/49/85/529694985.db2.gz GRDBTTXUWAHQGC-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000082777045 136277062 /nfs/dbraw/zinc/27/70/62/136277062.db2.gz HWSJBFKWBYQSAF-JTQLQIEISA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000569738339 323039306 /nfs/dbraw/zinc/03/93/06/323039306.db2.gz AWDRMPHOTXHAPS-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000569738339 323039307 /nfs/dbraw/zinc/03/93/07/323039307.db2.gz AWDRMPHOTXHAPS-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccnn1C ZINC000634688216 343246661 /nfs/dbraw/zinc/24/66/61/343246661.db2.gz LWWMCCZDRWLSMR-WZRBSPASSA-N 2 1 236.363 0.939 20 0 BCADMP C[C@H]1CC[C@@H](C[NH+]2CCC([NH2+]CCO)CC2)O1 ZINC000634688534 343249020 /nfs/dbraw/zinc/24/90/20/343249020.db2.gz VUXJBJRJYJXVQV-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908624 343327514 /nfs/dbraw/zinc/32/75/14/343327514.db2.gz KDHJJDXICLPTGG-RCWTZXSCSA-N 2 1 200.326 0.686 20 0 BCADMP Cc1nccn1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000348753825 136296995 /nfs/dbraw/zinc/29/69/95/136296995.db2.gz XXRDNPURIQQEBR-GFCCVEGCSA-N 2 1 222.336 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000348753825 136296996 /nfs/dbraw/zinc/29/69/96/136296996.db2.gz XXRDNPURIQQEBR-GFCCVEGCSA-N 3 1 222.336 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000348753825 136296997 /nfs/dbraw/zinc/29/69/97/136296997.db2.gz XXRDNPURIQQEBR-GFCCVEGCSA-N 3 1 222.336 0.862 20 0 BCADMP C[NH2+][C@H]1CCN(CCCn2cc[nH+]c2C)C1 ZINC000348754566 136297669 /nfs/dbraw/zinc/29/76/69/136297669.db2.gz ATCYLQYSOFWMJN-LBPRGKRZSA-N 2 1 222.336 0.875 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373559 343316745 /nfs/dbraw/zinc/31/67/45/343316745.db2.gz KUWWGSKRVVDUBZ-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638492 136303132 /nfs/dbraw/zinc/30/31/32/136303132.db2.gz SIPVKEIWDLKHSY-XKGSQUFQSA-N 3 1 211.353 0.844 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210961 136305298 /nfs/dbraw/zinc/30/52/98/136305298.db2.gz YVQCNCRSEFLWSZ-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210961 136305299 /nfs/dbraw/zinc/30/52/99/136305299.db2.gz YVQCNCRSEFLWSZ-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166214261 136309399 /nfs/dbraw/zinc/30/93/99/136309399.db2.gz GNHCSDNKAAYFSZ-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166214261 136309400 /nfs/dbraw/zinc/30/94/00/136309400.db2.gz GNHCSDNKAAYFSZ-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000166221286 136310265 /nfs/dbraw/zinc/31/02/65/136310265.db2.gz BZAVZJXTDFQYTK-MNOVXSKESA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000166220915 136310347 /nfs/dbraw/zinc/31/03/47/136310347.db2.gz BZAVZJXTDFQYTK-WDEREUQCSA-N 2 1 208.309 0.552 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000569938106 323044888 /nfs/dbraw/zinc/04/48/88/323044888.db2.gz SFWJSRACXGTVNB-ZJUUUORDSA-N 2 1 214.309 0.751 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCO)[C@H](C)C1 ZINC000166251889 136322171 /nfs/dbraw/zinc/32/21/71/136322171.db2.gz UWJLOANLYIIQCE-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000039102543 343384520 /nfs/dbraw/zinc/38/45/20/343384520.db2.gz HUPNWUGAQMUASO-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C)CC[N@H+]1C ZINC000335687493 136323751 /nfs/dbraw/zinc/32/37/51/136323751.db2.gz AIJRADXBQLFFAG-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C)CC[N@H+]1C ZINC000335687495 136323973 /nfs/dbraw/zinc/32/39/73/136323973.db2.gz AIJRADXBQLFFAG-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP Cc1[nH+]ccn1CCCn1cc(CCC[NH3+])nn1 ZINC000641149517 362240040 /nfs/dbraw/zinc/24/00/40/362240040.db2.gz GRRNOIRLJOUOTA-UHFFFAOYSA-N 2 1 248.334 0.765 20 0 BCADMP C[NH2+]Cc1cn(CCCCn2cc[nH+]c2C)nn1 ZINC000641150670 362240921 /nfs/dbraw/zinc/24/09/21/362240921.db2.gz QIBWFBIYJIKXSV-UHFFFAOYSA-N 2 1 248.334 0.983 20 0 BCADMP Cc1[nH]c(Cn2cc(CCCC[NH3+])nn2)[nH+]c1C ZINC000641156771 362241381 /nfs/dbraw/zinc/24/13/81/362241381.db2.gz WIXDHRQHBHWNPE-UHFFFAOYSA-N 2 1 248.334 0.948 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000350301901 136357956 /nfs/dbraw/zinc/35/79/56/136357956.db2.gz QGRVSXXZXPODBV-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000166637333 136362074 /nfs/dbraw/zinc/36/20/74/136362074.db2.gz TYIHKJNTQKOBJA-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000247968164 136373317 /nfs/dbraw/zinc/37/33/17/136373317.db2.gz IOCYJJCHHDZSMR-GMXVVIOVSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000310389027 343469829 /nfs/dbraw/zinc/46/98/29/343469829.db2.gz KQEFSVGEGNQTPK-GRYCIOLGSA-N 2 1 242.363 0.191 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000310389027 343469832 /nfs/dbraw/zinc/46/98/32/343469832.db2.gz KQEFSVGEGNQTPK-GRYCIOLGSA-N 2 1 242.363 0.191 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH+](C)C ZINC000616487165 343472843 /nfs/dbraw/zinc/47/28/43/343472843.db2.gz RCKMAGUEUSOPCS-VIFPVBQESA-N 2 1 224.308 0.258 20 0 BCADMP CCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077304751 187262438 /nfs/dbraw/zinc/26/24/38/187262438.db2.gz LVGBHENZCPNJQB-GFCCVEGCSA-N 2 1 211.353 0.766 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152478411 343557641 /nfs/dbraw/zinc/55/76/41/343557641.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CNC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152478411 343557642 /nfs/dbraw/zinc/55/76/42/343557642.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CNC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152478411 343557644 /nfs/dbraw/zinc/55/76/44/343557644.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215768 323053386 /nfs/dbraw/zinc/05/33/86/323053386.db2.gz KXVWDRMPGHZFKP-SNVBAGLBSA-N 2 1 225.336 0.054 20 0 BCADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379901851 343652162 /nfs/dbraw/zinc/65/21/62/343652162.db2.gz FWXUQYBPIGSVIV-JLLWLGSASA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379901851 343652164 /nfs/dbraw/zinc/65/21/64/343652164.db2.gz FWXUQYBPIGSVIV-JLLWLGSASA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000418716274 192064049 /nfs/dbraw/zinc/06/40/49/192064049.db2.gz ZPNLXBJHWZEMLB-DCAQKATOSA-N 2 1 242.367 0.458 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544412 349850065 /nfs/dbraw/zinc/85/00/65/349850065.db2.gz XXQABRKUHWBNPB-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261563379 349850611 /nfs/dbraw/zinc/85/06/11/349850611.db2.gz BUSXAUUSPSUJSC-OPRDCNLKSA-N 2 1 213.325 0.275 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000154669729 343745675 /nfs/dbraw/zinc/74/56/75/343745675.db2.gz GWYJYIILNQPAMY-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000624335554 343717629 /nfs/dbraw/zinc/71/76/29/343717629.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 2 1 241.379 0.125 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000584182636 343770820 /nfs/dbraw/zinc/77/08/20/343770820.db2.gz HDXINIZEBLBCIF-UTUOFQBUSA-N 3 1 211.353 0.988 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400454451 529840219 /nfs/dbraw/zinc/84/02/19/529840219.db2.gz POMDRQPINFWHER-NXEZZACHSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637347 349860832 /nfs/dbraw/zinc/86/08/32/349860832.db2.gz INDQVYNDVMPBDX-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262675448 349861394 /nfs/dbraw/zinc/86/13/94/349861394.db2.gz RPGXZIJBPIOUMU-RYUDHWBXSA-N 2 1 241.379 0.690 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784311 343908847 /nfs/dbraw/zinc/90/88/47/343908847.db2.gz MXHMIKYVOSEVRB-AVGNSLFASA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784311 343908850 /nfs/dbraw/zinc/90/88/50/343908850.db2.gz MXHMIKYVOSEVRB-AVGNSLFASA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784311 343908852 /nfs/dbraw/zinc/90/88/52/343908852.db2.gz MXHMIKYVOSEVRB-AVGNSLFASA-N 2 1 223.364 0.799 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000634730609 344045941 /nfs/dbraw/zinc/04/59/41/344045941.db2.gz LZWLEWQSYCBGDC-XQQFMLRXSA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000634730609 344045944 /nfs/dbraw/zinc/04/59/44/344045944.db2.gz LZWLEWQSYCBGDC-XQQFMLRXSA-N 2 1 242.363 0.335 20 0 BCADMP Cc1cc(NCC[NH+]2CCC2)nc(C)[nH+]1 ZINC000336740275 537837812 /nfs/dbraw/zinc/83/78/12/537837812.db2.gz UCYZTZUKEXWLDM-UHFFFAOYSA-N 2 1 206.293 0.633 20 0 BCADMP C[N@@H+](CCOC[C@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682814 323066897 /nfs/dbraw/zinc/06/68/97/323066897.db2.gz ANIOOTRJWNXPJJ-OLZOCXBDSA-N 2 1 242.363 0.851 20 0 BCADMP CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363472637 344134405 /nfs/dbraw/zinc/13/44/05/344134405.db2.gz SFLUOIALRMJNLM-CYBMUJFWSA-N 2 1 225.380 0.966 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC ZINC000130424716 344137964 /nfs/dbraw/zinc/13/79/64/344137964.db2.gz PMBHPYKUUPICJI-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000088287461 344238937 /nfs/dbraw/zinc/23/89/37/344238937.db2.gz DKPQBCVOXKNAPJ-QWRGUYRKSA-N 2 1 218.304 0.749 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCOCCO)CC[N@H+]1C ZINC000129749499 344214490 /nfs/dbraw/zinc/21/44/90/344214490.db2.gz SXKWBEVMVLZQQE-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236649009 187289403 /nfs/dbraw/zinc/28/94/03/187289403.db2.gz GCNFKSUVZGAKQQ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131838990 344334768 /nfs/dbraw/zinc/33/47/68/344334768.db2.gz IGSCDDFUGBLUAC-VHSXEESVSA-N 2 1 243.376 0.155 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000600705368 344360150 /nfs/dbraw/zinc/36/01/50/344360150.db2.gz QUCFCEZESMXLLA-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000600709053 344361071 /nfs/dbraw/zinc/36/10/71/344361071.db2.gz NXFOCDQSEJAQLA-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000600709058 344361097 /nfs/dbraw/zinc/36/10/97/344361097.db2.gz NXFOCDQSEJAQLA-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP CN(CCC[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000582133935 347045268 /nfs/dbraw/zinc/04/52/68/347045268.db2.gz VZPXKBDAGTVOIX-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000600947408 344400917 /nfs/dbraw/zinc/40/09/17/344400917.db2.gz SVACIBAQXWMPHK-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920265 344410938 /nfs/dbraw/zinc/41/09/38/344410938.db2.gz GBITUVCHXRSXFZ-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1c[nH]c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)n1 ZINC000628291866 347052571 /nfs/dbraw/zinc/05/25/71/347052571.db2.gz YDELSNOARHYGCG-GHMZBOCLSA-N 2 1 220.320 0.854 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000037481279 344508995 /nfs/dbraw/zinc/50/89/95/344508995.db2.gz ZBXJMQJWFIXYKR-LBPRGKRZSA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336764695 537847571 /nfs/dbraw/zinc/84/75/71/537847571.db2.gz QBXJHZIWOLREMA-GRYCIOLGSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531311 344541401 /nfs/dbraw/zinc/54/14/01/344541401.db2.gz ASUIAWSLDXZPFP-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531311 344541403 /nfs/dbraw/zinc/54/14/03/344541403.db2.gz ASUIAWSLDXZPFP-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000044794821 344547924 /nfs/dbraw/zinc/54/79/24/344547924.db2.gz KWHBKUNLCDOQQJ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336764696 537848179 /nfs/dbraw/zinc/84/81/79/537848179.db2.gz QBXJHZIWOLREMA-IJLUTSLNSA-N 2 1 212.337 0.687 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812688 344591580 /nfs/dbraw/zinc/59/15/80/344591580.db2.gz FPSIHERDYDAHMA-NEPJUHHUSA-N 2 1 237.347 0.435 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812688 344591582 /nfs/dbraw/zinc/59/15/82/344591582.db2.gz FPSIHERDYDAHMA-NEPJUHHUSA-N 2 1 237.347 0.435 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000641474809 362442572 /nfs/dbraw/zinc/44/25/72/362442572.db2.gz LZAPWGUWYHTRNI-MNOVXSKESA-N 2 1 242.367 0.315 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237067583 344588517 /nfs/dbraw/zinc/58/85/17/344588517.db2.gz ORIHFUPZTXAHHN-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](C)[NH3+])C[C@H]1C ZINC000641493724 362460152 /nfs/dbraw/zinc/46/01/52/362460152.db2.gz PLXWGTNFYIMWET-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000582124364 344723733 /nfs/dbraw/zinc/72/37/33/344723733.db2.gz AKEZQEBLTBXCFD-ZDUSSCGKSA-N 2 1 241.379 0.977 20 0 BCADMP CSC[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000400004795 344748341 /nfs/dbraw/zinc/74/83/41/344748341.db2.gz QHEZSCSLKCRGHZ-LBPRGKRZSA-N 2 1 243.420 0.719 20 0 BCADMP CN(CCOCCO)CC[C@H]1CCCC[N@H+]1C ZINC000075860319 344785833 /nfs/dbraw/zinc/78/58/33/344785833.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP C[N@H+](CCOCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860319 344785834 /nfs/dbraw/zinc/78/58/34/344785834.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP C[N@@H+](CCOCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860319 344785835 /nfs/dbraw/zinc/78/58/35/344785835.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000167200212 323078241 /nfs/dbraw/zinc/07/82/41/323078241.db2.gz NZEWVYUTHAMKCO-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088900 537873261 /nfs/dbraw/zinc/87/32/61/537873261.db2.gz DSCHOTQXZYPWIS-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)O ZINC000583435838 344953590 /nfs/dbraw/zinc/95/35/90/344953590.db2.gz GNQBEWTWUPYDBO-UPJWGTAASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)O ZINC000583435838 344953592 /nfs/dbraw/zinc/95/35/92/344953592.db2.gz GNQBEWTWUPYDBO-UPJWGTAASA-N 2 1 244.379 0.846 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000583448482 344997225 /nfs/dbraw/zinc/99/72/25/344997225.db2.gz COGXHOPAOAEPLO-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000053032020 345048893 /nfs/dbraw/zinc/04/88/93/345048893.db2.gz SFSBBDOXYZOISZ-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000154303037 345026020 /nfs/dbraw/zinc/02/60/20/345026020.db2.gz XXNMEYNELWPRSA-FVCCEPFGSA-N 2 1 243.395 0.227 20 0 BCADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCO1 ZINC000156051479 345120532 /nfs/dbraw/zinc/12/05/32/345120532.db2.gz OQDMYZADAXSOJT-JHJVBQTASA-N 2 1 240.347 0.618 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000634993621 345191367 /nfs/dbraw/zinc/19/13/67/345191367.db2.gz ACCDODDUUNSYHZ-NWDGAFQWSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000634993621 345191370 /nfs/dbraw/zinc/19/13/70/345191370.db2.gz ACCDODDUUNSYHZ-NWDGAFQWSA-N 3 1 213.369 0.888 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990844 345173109 /nfs/dbraw/zinc/17/31/09/345173109.db2.gz FOIWMWPUTKSKDD-NWDGAFQWSA-N 3 1 213.369 0.759 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990844 345173112 /nfs/dbraw/zinc/17/31/12/345173112.db2.gz FOIWMWPUTKSKDD-NWDGAFQWSA-N 3 1 213.369 0.759 20 0 BCADMP CCCC[N@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634991419 345177699 /nfs/dbraw/zinc/17/76/99/345177699.db2.gz CULYFYDBFPDZTG-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP CCCC[N@@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634991419 345177700 /nfs/dbraw/zinc/17/77/00/345177700.db2.gz CULYFYDBFPDZTG-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000634994542 345181637 /nfs/dbraw/zinc/18/16/37/345181637.db2.gz GXDOJMGWASJJGM-VOMCLLRMSA-N 2 1 209.337 0.328 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000634994357 345181845 /nfs/dbraw/zinc/18/18/45/345181845.db2.gz ACOYPDBTIGAFDP-NWDGAFQWSA-N 3 1 213.369 0.807 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(CC34CC(C3)C[NH2+]4)[C@H]2C1 ZINC000634994576 345182003 /nfs/dbraw/zinc/18/20/03/345182003.db2.gz HQHSDNALBOUUEX-QPPOZKHWSA-N 2 1 235.375 0.764 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995229 345184408 /nfs/dbraw/zinc/18/44/08/345184408.db2.gz YNFUHJNBDDTBRT-OLZOCXBDSA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)[C@H](C[NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995229 345184410 /nfs/dbraw/zinc/18/44/10/345184410.db2.gz YNFUHJNBDDTBRT-OLZOCXBDSA-N 2 1 225.380 0.903 20 0 BCADMP C([NH2+][C@H]1CC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000634995415 345184415 /nfs/dbraw/zinc/18/44/15/345184415.db2.gz DHPBNMGQZANMGC-AKJDGMEZSA-N 3 1 221.348 0.470 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995756 345185127 /nfs/dbraw/zinc/18/51/27/345185127.db2.gz OCROSFWZHDYZOU-KPPDAEKUSA-N 2 1 221.308 0.008 20 0 BCADMP C(CNCC12CC(C1)C[NH2+]2)C[C@@H]1CCC[NH2+]1 ZINC000634995607 345185398 /nfs/dbraw/zinc/18/53/98/345185398.db2.gz KFLLLYVMYBKUES-OTTFEQOBSA-N 2 1 223.364 0.860 20 0 BCADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634957926 345131539 /nfs/dbraw/zinc/13/15/39/345131539.db2.gz BQQNOWCWEPAVRO-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634957926 345131543 /nfs/dbraw/zinc/13/15/43/345131543.db2.gz BQQNOWCWEPAVRO-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634957927 345131787 /nfs/dbraw/zinc/13/17/87/345131787.db2.gz BQQNOWCWEPAVRO-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634957927 345131790 /nfs/dbraw/zinc/13/17/90/345131790.db2.gz BQQNOWCWEPAVRO-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP COC[C@](C)(CCO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993191 345189026 /nfs/dbraw/zinc/18/90/26/345189026.db2.gz MYYUVXUMALYOIY-CXQJBGSLSA-N 2 1 228.336 0.116 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635058961 345232711 /nfs/dbraw/zinc/23/27/11/345232711.db2.gz QUMBFZSARBJLPA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635068119 345236535 /nfs/dbraw/zinc/23/65/35/345236535.db2.gz GBBIVJSMHQMLNO-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635068881 345237216 /nfs/dbraw/zinc/23/72/16/345237216.db2.gz MOJNLMGCOMCBLW-UHFFFAOYSA-N 2 1 229.368 0.642 20 0 BCADMP CC[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459646 537892283 /nfs/dbraw/zinc/89/22/83/537892283.db2.gz KBVOTZRKVWBDBI-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@H+]1C ZINC000565042189 345193951 /nfs/dbraw/zinc/19/39/51/345193951.db2.gz XTJUMPKPOBKWKL-UZWSLXQKSA-N 2 1 237.347 0.337 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999789 345201283 /nfs/dbraw/zinc/20/12/83/345201283.db2.gz ZBDXYRWAOINUIV-IJLUTSLNSA-N 3 1 213.369 0.744 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999789 345201284 /nfs/dbraw/zinc/20/12/84/345201284.db2.gz ZBDXYRWAOINUIV-IJLUTSLNSA-N 3 1 213.369 0.744 20 0 BCADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635449793 345376439 /nfs/dbraw/zinc/37/64/39/345376439.db2.gz HZLXWCZQDBMSQI-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000635506583 345406169 /nfs/dbraw/zinc/40/61/69/345406169.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000635506583 345406171 /nfs/dbraw/zinc/40/61/71/345406171.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000635506583 345406172 /nfs/dbraw/zinc/40/61/72/345406172.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1ncnc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158948802 345391309 /nfs/dbraw/zinc/39/13/09/345391309.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 1 249.362 0.731 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600972168 345540824 /nfs/dbraw/zinc/54/08/24/345540824.db2.gz XELRKSAZFBLHDG-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600972168 345540828 /nfs/dbraw/zinc/54/08/28/345540828.db2.gz XELRKSAZFBLHDG-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600972168 345540831 /nfs/dbraw/zinc/54/08/31/345540831.db2.gz XELRKSAZFBLHDG-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600972168 345540835 /nfs/dbraw/zinc/54/08/35/345540835.db2.gz XELRKSAZFBLHDG-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000563086897 323090652 /nfs/dbraw/zinc/09/06/52/323090652.db2.gz VBZYPGDHYVAGJH-SRVKXCTJSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068891875 349930653 /nfs/dbraw/zinc/93/06/53/349930653.db2.gz ZSVVJKNOVIULRY-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068891875 349930656 /nfs/dbraw/zinc/93/06/56/349930656.db2.gz ZSVVJKNOVIULRY-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)[C@@H](C)C1 ZINC000221672864 323090813 /nfs/dbraw/zinc/09/08/13/323090813.db2.gz QCIBDOVOWLACPH-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP Cn1nncc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043105 345614672 /nfs/dbraw/zinc/61/46/72/345614672.db2.gz GBYBYJINFSHWMD-DGCLKSJQSA-N 2 1 249.362 0.731 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635548946 345591473 /nfs/dbraw/zinc/59/14/73/345591473.db2.gz ZHALUDOHGANDFR-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635557639 345719077 /nfs/dbraw/zinc/71/90/77/345719077.db2.gz AYYZKEKIDVKMGL-HBNTYKKESA-N 2 1 248.330 0.724 20 0 BCADMP CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000205604008 345733529 /nfs/dbraw/zinc/73/35/29/345733529.db2.gz OSBYIPPXKVPGKI-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000205604008 345733532 /nfs/dbraw/zinc/73/35/32/345733532.db2.gz OSBYIPPXKVPGKI-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000127632198 187359861 /nfs/dbraw/zinc/35/98/61/187359861.db2.gz CSKRFYTUXVLGKM-UHFFFAOYSA-N 2 1 236.319 0.734 20 0 BCADMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635571785 345825079 /nfs/dbraw/zinc/82/50/79/345825079.db2.gz YUAWTYUMNQRPBP-NEPJUHHUSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567891964 323097141 /nfs/dbraw/zinc/09/71/41/323097141.db2.gz ASOISRZRRGSHEF-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625467 345898931 /nfs/dbraw/zinc/89/89/31/345898931.db2.gz BUFRFAXMVHZXLK-NEPJUHHUSA-N 2 1 241.379 0.737 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635639517 345912199 /nfs/dbraw/zinc/91/21/99/345912199.db2.gz AXNVGPITWPSPCJ-UHFFFAOYSA-N 2 1 243.395 0.984 20 0 BCADMP COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400947765 345932657 /nfs/dbraw/zinc/93/26/57/345932657.db2.gz AXXQBEZJNWAZJU-GWOFURMSSA-N 2 1 226.320 0.526 20 0 BCADMP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000635665104 345967437 /nfs/dbraw/zinc/96/74/37/345967437.db2.gz UZLRFSMLJGRFLJ-GMTAPVOTSA-N 2 1 239.363 0.678 20 0 BCADMP C[C@H](C(=O)NCc1ccn2ccnc2c1)N(C)C ZINC000635692855 345978049 /nfs/dbraw/zinc/97/80/49/345978049.db2.gz VLKPWIBOJCFTFM-SNVBAGLBSA-N 2 1 246.314 0.901 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC000586754189 346060769 /nfs/dbraw/zinc/06/07/69/346060769.db2.gz YMYUIESIOULUHE-LLVKDONJSA-N 2 1 236.319 0.484 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635749217 346047773 /nfs/dbraw/zinc/04/77/73/346047773.db2.gz DYPXJRJTGKGGEX-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635749216 346047900 /nfs/dbraw/zinc/04/79/00/346047900.db2.gz DYPXJRJTGKGGEX-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH+](C)C ZINC000635953811 346123232 /nfs/dbraw/zinc/12/32/32/346123232.db2.gz MZLVAYUVQUMEQU-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000684396131 488305877 /nfs/dbraw/zinc/30/58/77/488305877.db2.gz SZKCOJIZHBMQSS-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000684396131 488305879 /nfs/dbraw/zinc/30/58/79/488305879.db2.gz SZKCOJIZHBMQSS-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336775871 187317665 /nfs/dbraw/zinc/31/76/65/187317665.db2.gz CXPAYNHIQSOUDJ-ZYHUDNBSSA-N 3 1 222.336 0.731 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626458 349950911 /nfs/dbraw/zinc/95/09/11/349950911.db2.gz GBQMSYBCBQNBQI-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP CCC[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000679150603 488313686 /nfs/dbraw/zinc/31/36/86/488313686.db2.gz PKKDKDPHLOCQDG-UHFFFAOYSA-N 2 1 212.337 0.975 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000069732787 349954744 /nfs/dbraw/zinc/95/47/44/349954744.db2.gz GDBMRCFBXKCUJN-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000636170554 346343417 /nfs/dbraw/zinc/34/34/17/346343417.db2.gz BLGRKXBWXLOGRZ-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH2+]CC1(C)C ZINC000641796001 362737038 /nfs/dbraw/zinc/73/70/38/362737038.db2.gz CPOPVPCWHWEGEA-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP CN(CCc1c[nH+]cn1C)[C@H](C[NH3+])C1CC1 ZINC000641797696 362744503 /nfs/dbraw/zinc/74/45/03/362744503.db2.gz GFVFPPBQGKCXHQ-GFCCVEGCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000069840023 349962299 /nfs/dbraw/zinc/96/22/99/349962299.db2.gz KHXXMVWCDNFTLB-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CN(CCc2c[nH+]cn2C)CC[NH2+]1 ZINC000641796750 362740342 /nfs/dbraw/zinc/74/03/42/362740342.db2.gz IWTBXUSOBVZLDW-JTQLQIEISA-N 2 1 208.309 0.256 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641800177 362750343 /nfs/dbraw/zinc/75/03/43/362750343.db2.gz XXDXOQNQALSUCT-WDEREUQCSA-N 2 1 222.336 0.645 20 0 BCADMP C[NH2+]CCSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575178135 346483476 /nfs/dbraw/zinc/48/34/76/346483476.db2.gz KBKPIPSXDJVJQT-PHIMTYICSA-N 2 1 230.377 0.802 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075099 346511009 /nfs/dbraw/zinc/51/10/09/346511009.db2.gz ULXXYTLNLAVZOH-QNWHQSFQSA-N 3 1 223.364 0.526 20 0 BCADMP CCCc1[nH+]ccn1CCN1CC[NH2+]CC1 ZINC000069964100 349970289 /nfs/dbraw/zinc/97/02/89/349970289.db2.gz KCBNDJNOMZCNAB-UHFFFAOYSA-N 2 1 222.336 0.741 20 0 BCADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801271 362754731 /nfs/dbraw/zinc/75/47/31/362754731.db2.gz OQLYZWQSONODBG-LPEHRKFASA-N 2 1 225.336 0.323 20 0 BCADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801831 362757738 /nfs/dbraw/zinc/75/77/38/362757738.db2.gz FPPFNUGKQODWNL-QWRGUYRKSA-N 2 1 211.353 0.701 20 0 BCADMP CN(C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641802148 362758784 /nfs/dbraw/zinc/75/87/84/362758784.db2.gz YEAXBQFKZILTLC-NXEZZACHSA-N 2 1 225.336 0.323 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000641807465 362764138 /nfs/dbraw/zinc/76/41/38/362764138.db2.gz UHYOKXHYUMBKRQ-MNOVXSKESA-N 2 1 239.363 0.761 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000641807466 362765009 /nfs/dbraw/zinc/76/50/09/362765009.db2.gz UHYOKXHYUMBKRQ-QWRGUYRKSA-N 2 1 239.363 0.761 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cncn1C ZINC000641818004 362769120 /nfs/dbraw/zinc/76/91/20/362769120.db2.gz BMONLBGMFNDHLT-WDEREUQCSA-N 2 1 222.336 0.774 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1ccns1 ZINC000641817995 362768878 /nfs/dbraw/zinc/76/88/78/362768878.db2.gz BFURGYYRFXAETA-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccns1 ZINC000641817995 362768885 /nfs/dbraw/zinc/76/88/85/362768885.db2.gz BFURGYYRFXAETA-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000380157926 346582640 /nfs/dbraw/zinc/58/26/40/346582640.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000380157926 346582644 /nfs/dbraw/zinc/58/26/44/346582644.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000380157926 346582645 /nfs/dbraw/zinc/58/26/45/346582645.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cncn1C ZINC000641818003 362769652 /nfs/dbraw/zinc/76/96/52/362769652.db2.gz BMONLBGMFNDHLT-QWRGUYRKSA-N 2 1 222.336 0.774 20 0 BCADMP CCOC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000310499952 323132339 /nfs/dbraw/zinc/13/23/39/323132339.db2.gz HQGZBHOSJQTTQH-QWHCGFSZSA-N 2 1 246.395 0.950 20 0 BCADMP CCOC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000310499952 323132340 /nfs/dbraw/zinc/13/23/40/323132340.db2.gz HQGZBHOSJQTTQH-QWHCGFSZSA-N 2 1 246.395 0.950 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000580648161 365843355 /nfs/dbraw/zinc/84/33/55/365843355.db2.gz CPHBXLDIOOTDSM-BQBZGAKWSA-N 2 1 242.348 0.457 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719298 346744704 /nfs/dbraw/zinc/74/47/04/346744704.db2.gz LPLSZOFANWJADE-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719298 346744708 /nfs/dbraw/zinc/74/47/08/346744708.db2.gz LPLSZOFANWJADE-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378663382 346798459 /nfs/dbraw/zinc/79/84/59/346798459.db2.gz BCSRYHUPMREOIV-NNYUYHANSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1CO ZINC000622004685 370655331 /nfs/dbraw/zinc/65/53/31/370655331.db2.gz SKDOXFHEYDHGGQ-UPJWGTAASA-N 2 1 226.364 0.936 20 0 BCADMP C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000216290343 347204027 /nfs/dbraw/zinc/20/40/27/347204027.db2.gz PNLCOULRTAXYEV-SRVKXCTJSA-N 2 1 210.321 0.992 20 0 BCADMP C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000216290343 347204029 /nfs/dbraw/zinc/20/40/29/347204029.db2.gz PNLCOULRTAXYEV-SRVKXCTJSA-N 2 1 210.321 0.992 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326450 347208651 /nfs/dbraw/zinc/20/86/51/347208651.db2.gz MYQHNMDAEKBCCJ-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310073698 347226273 /nfs/dbraw/zinc/22/62/73/347226273.db2.gz FKHXWSGSWPWIPG-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+](Cc1ccc2ncccc2c1)C[C@H](O)C[NH3+] ZINC000310884572 347316996 /nfs/dbraw/zinc/31/69/96/347316996.db2.gz XHBCIVJGNVGYQT-CYBMUJFWSA-N 2 1 245.326 0.986 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380839563 347399073 /nfs/dbraw/zinc/39/90/73/347399073.db2.gz TUYSVJWNQXZICN-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380839563 347399075 /nfs/dbraw/zinc/39/90/75/347399075.db2.gz TUYSVJWNQXZICN-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215823 365886004 /nfs/dbraw/zinc/88/60/04/365886004.db2.gz TYYUDSUDRRLUOP-HBNTYKKESA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)OCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000159016848 347571191 /nfs/dbraw/zinc/57/11/91/347571191.db2.gz RGTODJIJXGDRCU-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591423103 347657928 /nfs/dbraw/zinc/65/79/28/347657928.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591423103 347657930 /nfs/dbraw/zinc/65/79/30/347657930.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591423103 347657931 /nfs/dbraw/zinc/65/79/31/347657931.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000308462688 347686246 /nfs/dbraw/zinc/68/62/46/347686246.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000308462688 347686248 /nfs/dbraw/zinc/68/62/48/347686248.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CC1 ZINC000308462688 347686250 /nfs/dbraw/zinc/68/62/50/347686250.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC000308462688 347686252 /nfs/dbraw/zinc/68/62/52/347686252.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000308462691 347686395 /nfs/dbraw/zinc/68/63/95/347686395.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000308462691 347686397 /nfs/dbraw/zinc/68/63/97/347686397.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CC1 ZINC000308462691 347686399 /nfs/dbraw/zinc/68/63/99/347686399.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC000308462691 347686402 /nfs/dbraw/zinc/68/64/02/347686402.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 2 1 200.326 0.641 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726584 347692812 /nfs/dbraw/zinc/69/28/12/347692812.db2.gz QLKCCKXFEYXOOX-IJLUTSLNSA-N 2 1 244.404 0.927 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592488206 347786804 /nfs/dbraw/zinc/78/68/04/347786804.db2.gz HDRGHKLSJQHYBE-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592488207 347787103 /nfs/dbraw/zinc/78/71/03/347787103.db2.gz HDRGHKLSJQHYBE-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CC1(C[N@H+](C)CCC[NH3+])CC1 ZINC000592474299 347791544 /nfs/dbraw/zinc/79/15/44/347791544.db2.gz YRDVBYYNGNNFHT-UHFFFAOYSA-N 2 1 214.309 0.610 20 0 BCADMP COC(=O)CC1(C[N@@H+](C)CCC[NH3+])CC1 ZINC000592474299 347791547 /nfs/dbraw/zinc/79/15/47/347791547.db2.gz YRDVBYYNGNNFHT-UHFFFAOYSA-N 2 1 214.309 0.610 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000577392122 365944154 /nfs/dbraw/zinc/94/41/54/365944154.db2.gz OQOPVWAUIDSSIC-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577399027 365945967 /nfs/dbraw/zinc/94/59/67/365945967.db2.gz HOXJHKLGBVDTNR-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594532 348008897 /nfs/dbraw/zinc/00/88/97/348008897.db2.gz AWGIISWNTDXACP-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594532 348008899 /nfs/dbraw/zinc/00/88/99/348008899.db2.gz AWGIISWNTDXACP-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595144567 348199269 /nfs/dbraw/zinc/19/92/69/348199269.db2.gz GDETXNRNECHPPO-NSHDSACASA-N 2 1 249.362 0.609 20 0 BCADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648665 348241656 /nfs/dbraw/zinc/24/16/56/348241656.db2.gz JDOJVJZCJLDTCU-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP COC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000308845744 323179802 /nfs/dbraw/zinc/17/98/02/323179802.db2.gz ACGKIWMBIJKPBG-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000563887829 323183376 /nfs/dbraw/zinc/18/33/76/323183376.db2.gz DAAYBKHZEDFAKP-OPRDCNLKSA-N 2 1 243.376 0.283 20 0 BCADMP CSC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309100794 349986591 /nfs/dbraw/zinc/98/65/91/349986591.db2.gz IZKBJACLXWKBKO-GXSJLCMTSA-N 2 1 232.393 0.783 20 0 BCADMP CSC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309100794 349986594 /nfs/dbraw/zinc/98/65/94/349986594.db2.gz IZKBJACLXWKBKO-GXSJLCMTSA-N 2 1 232.393 0.783 20 0 BCADMP CCOC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595898889 348394299 /nfs/dbraw/zinc/39/42/99/348394299.db2.gz NZPQMAAFTNHIJQ-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CCOC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595898889 348394302 /nfs/dbraw/zinc/39/43/02/348394302.db2.gz NZPQMAAFTNHIJQ-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CC(C)OC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595901622 348394664 /nfs/dbraw/zinc/39/46/64/348394664.db2.gz ZGRFVNUSTVUSBF-UHFFFAOYSA-N 2 1 216.325 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901622 348394666 /nfs/dbraw/zinc/39/46/66/348394666.db2.gz ZGRFVNUSTVUSBF-UHFFFAOYSA-N 2 1 216.325 0.997 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902600 348395059 /nfs/dbraw/zinc/39/50/59/348395059.db2.gz AMQQPYKSBQYVME-NWDGAFQWSA-N 2 1 235.331 0.196 20 0 BCADMP CSC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309100797 349986637 /nfs/dbraw/zinc/98/66/37/349986637.db2.gz IZKBJACLXWKBKO-ONGXEEELSA-N 2 1 232.393 0.783 20 0 BCADMP CSC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309100797 349986638 /nfs/dbraw/zinc/98/66/38/349986638.db2.gz IZKBJACLXWKBKO-ONGXEEELSA-N 2 1 232.393 0.783 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902601 348395205 /nfs/dbraw/zinc/39/52/05/348395205.db2.gz AMQQPYKSBQYVME-RYUDHWBXSA-N 2 1 235.331 0.196 20 0 BCADMP CS[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101360 349986820 /nfs/dbraw/zinc/98/68/20/349986820.db2.gz JGSNAYXXAFMVLH-GXSJLCMTSA-N 2 1 232.393 0.783 20 0 BCADMP CS[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101360 349986823 /nfs/dbraw/zinc/98/68/23/349986823.db2.gz JGSNAYXXAFMVLH-GXSJLCMTSA-N 2 1 232.393 0.783 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCn2ccccc2=O)C1 ZINC000603557293 349992792 /nfs/dbraw/zinc/99/27/92/349992792.db2.gz REUWTPAJHBQWQB-ZDUSSCGKSA-N 2 1 249.358 0.732 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccccc2=O)C1 ZINC000603557293 349992793 /nfs/dbraw/zinc/99/27/93/349992793.db2.gz REUWTPAJHBQWQB-ZDUSSCGKSA-N 2 1 249.358 0.732 20 0 BCADMP OCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000308759622 348449213 /nfs/dbraw/zinc/44/92/13/348449213.db2.gz ZSPMJJGVILJBRM-UHFFFAOYSA-N 2 1 212.337 0.975 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC[NH3+] ZINC000420118891 192162038 /nfs/dbraw/zinc/16/20/38/192162038.db2.gz MZGNSHIIFJBYMX-UHFFFAOYSA-N 2 1 209.249 0.051 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@H]1CC[NH2+]C1 ZINC000420147080 192163393 /nfs/dbraw/zinc/16/33/93/192163393.db2.gz BTAHEZWWDNAMTE-VIFPVBQESA-N 2 1 235.287 0.454 20 0 BCADMP C[C@H](O)CNc1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000420149713 192163868 /nfs/dbraw/zinc/16/38/68/192163868.db2.gz IKCCOMWTKIVVLE-IUCAKERBSA-N 2 1 237.307 0.043 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC[NH2+]C ZINC000420151844 192163913 /nfs/dbraw/zinc/16/39/13/192163913.db2.gz CIEHNCZUZLFUOW-UHFFFAOYSA-N 2 1 223.276 0.312 20 0 BCADMP CC[NH2+]CCNc1cc[nH+]cc1C(=O)OCC ZINC000420166952 192167138 /nfs/dbraw/zinc/16/71/38/192167138.db2.gz QQDKYSRYVMEHAH-UHFFFAOYSA-N 2 1 237.303 0.702 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCCC[NH2+]C ZINC000420138102 192169343 /nfs/dbraw/zinc/16/93/43/192169343.db2.gz MKLSLHULSMKTCG-UHFFFAOYSA-N 2 1 237.303 0.702 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000248483950 349133215 /nfs/dbraw/zinc/13/32/15/349133215.db2.gz JUDJUOCBIVYZMH-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250886548 349181166 /nfs/dbraw/zinc/18/11/66/349181166.db2.gz WODMKDYOSDZPBF-VXGBXAGGSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000251082188 349182526 /nfs/dbraw/zinc/18/25/26/349182526.db2.gz ICLOXNISNXSNOB-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000251082188 349182530 /nfs/dbraw/zinc/18/25/30/349182530.db2.gz ICLOXNISNXSNOB-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000390431798 538036519 /nfs/dbraw/zinc/03/65/19/538036519.db2.gz PVZJELMVOLOODJ-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070559340 350021020 /nfs/dbraw/zinc/02/10/20/350021020.db2.gz GDAGKIFWJRYYNR-SNVBAGLBSA-N 2 1 228.336 0.999 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619287 350029587 /nfs/dbraw/zinc/02/95/87/350029587.db2.gz SCGXBDZRWWGFBE-NSHDSACASA-N 2 1 213.325 0.196 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000070617359 350030981 /nfs/dbraw/zinc/03/09/81/350030981.db2.gz GKYSAOYVWGQHFG-LLVKDONJSA-N 2 1 212.337 0.954 20 0 BCADMP COC(=O)CC1([NH2+]CC23CC(C2)C[NH2+]3)CCC1 ZINC000602017994 349418184 /nfs/dbraw/zinc/41/81/84/349418184.db2.gz WHLZLNMJMUJWEN-UHFFFAOYSA-N 2 1 238.331 0.814 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000563106905 350062740 /nfs/dbraw/zinc/06/27/40/350062740.db2.gz UIWMTXXQXRCIDW-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000219923844 350149405 /nfs/dbraw/zinc/14/94/05/350149405.db2.gz LNAIKHGBXZWLSB-UHFFFAOYSA-N 2 1 225.336 0.468 20 0 BCADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132420943 191032061 /nfs/dbraw/zinc/03/20/61/191032061.db2.gz ZSFLLMWVKGXAGJ-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000304430404 350156836 /nfs/dbraw/zinc/15/68/36/350156836.db2.gz SQHXTHHTMCZOFX-RYUDHWBXSA-N 2 1 222.336 0.861 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC ZINC000396045097 490352967 /nfs/dbraw/zinc/35/29/67/490352967.db2.gz ZAIQOZKCAVUDBB-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC ZINC000396045097 490352978 /nfs/dbraw/zinc/35/29/78/490352978.db2.gz ZAIQOZKCAVUDBB-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC000396045097 490352984 /nfs/dbraw/zinc/35/29/84/490352984.db2.gz ZAIQOZKCAVUDBB-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1COC ZINC000396045097 490352989 /nfs/dbraw/zinc/35/29/89/490352989.db2.gz ZAIQOZKCAVUDBB-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](CO)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314039980 350168180 /nfs/dbraw/zinc/16/81/80/350168180.db2.gz VPTNDTVYZNQGDJ-QWRGUYRKSA-N 2 1 225.336 0.959 20 0 BCADMP O=C(NCC[NH+]1CCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426980389 191050555 /nfs/dbraw/zinc/05/05/55/191050555.db2.gz KMRLAVXEMIZCCE-LBPRGKRZSA-N 2 1 237.347 0.435 20 0 BCADMP O=C(NCC[NH+]1CCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426980389 191050558 /nfs/dbraw/zinc/05/05/58/191050558.db2.gz KMRLAVXEMIZCCE-LBPRGKRZSA-N 2 1 237.347 0.435 20 0 BCADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427136095 191054419 /nfs/dbraw/zinc/05/44/19/191054419.db2.gz MAWKECCMJLGRIZ-WPRPVWTQSA-N 2 1 249.305 0.604 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000309233665 350215364 /nfs/dbraw/zinc/21/53/64/350215364.db2.gz JDZLAQHBLSFEIG-LLVKDONJSA-N 2 1 230.352 0.194 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000309233665 350215367 /nfs/dbraw/zinc/21/53/67/350215367.db2.gz JDZLAQHBLSFEIG-LLVKDONJSA-N 2 1 230.352 0.194 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000309235221 350215950 /nfs/dbraw/zinc/21/59/50/350215950.db2.gz JJLJBGKEWDZTNJ-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000309235221 350215952 /nfs/dbraw/zinc/21/59/52/350215952.db2.gz JJLJBGKEWDZTNJ-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000309235216 350216208 /nfs/dbraw/zinc/21/62/08/350216208.db2.gz JJLJBGKEWDZTNJ-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000309235216 350216211 /nfs/dbraw/zinc/21/62/11/350216211.db2.gz JJLJBGKEWDZTNJ-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](C)[N@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000309225866 350212691 /nfs/dbraw/zinc/21/26/91/350212691.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000309225866 350212693 /nfs/dbraw/zinc/21/26/93/350212693.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)CC ZINC000309225866 350212694 /nfs/dbraw/zinc/21/26/94/350212694.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000309225866 350212696 /nfs/dbraw/zinc/21/26/96/350212696.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427592103 191083443 /nfs/dbraw/zinc/08/34/43/191083443.db2.gz OEWGEERCHIWCRA-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275554131 180260037 /nfs/dbraw/zinc/26/00/37/180260037.db2.gz UBLADESKBDQRBT-VHSXEESVSA-N 2 1 240.282 0.008 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CC[NH3+] ZINC000308825475 180246070 /nfs/dbraw/zinc/24/60/70/180246070.db2.gz HVQZRDYVZUSXFQ-UHFFFAOYSA-N 2 1 210.281 0.047 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CC(O)C1 ZINC000353491124 180246831 /nfs/dbraw/zinc/24/68/31/180246831.db2.gz MBTGOZOVKZPEFF-UHFFFAOYSA-N 2 1 209.293 0.647 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C1CC(O)C1 ZINC000353491124 180246834 /nfs/dbraw/zinc/24/68/34/180246834.db2.gz MBTGOZOVKZPEFF-UHFFFAOYSA-N 2 1 209.293 0.647 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000310440500 180259512 /nfs/dbraw/zinc/25/95/12/180259512.db2.gz WFKPNZYSWDNZDI-LLVKDONJSA-N 2 1 238.335 0.539 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC[C@H](C)[NH3+] ZINC000277460584 180259516 /nfs/dbraw/zinc/25/95/16/180259516.db2.gz IFGPVIKROVJCAI-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000299528077 180258044 /nfs/dbraw/zinc/25/80/44/180258044.db2.gz QFEZRDPJTRTRAE-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000299528077 180258046 /nfs/dbraw/zinc/25/80/46/180258046.db2.gz QFEZRDPJTRTRAE-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000261544351 180259004 /nfs/dbraw/zinc/25/90/04/180259004.db2.gz DTRMKMPOJUJPAA-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C1([NH3+])CC1 ZINC000353445464 180245111 /nfs/dbraw/zinc/24/51/11/180245111.db2.gz WZYFWXZADKHMKQ-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C1CCOCC1 ZINC000049330158 180260918 /nfs/dbraw/zinc/26/09/18/180260918.db2.gz YLLQXFVYUYDOOJ-UHFFFAOYSA-N 2 1 209.293 0.960 20 0 BCADMP C[C@@H]1C[C@H](N(C)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000125479805 490436146 /nfs/dbraw/zinc/43/61/46/490436146.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnnn1C ZINC000267546639 180264726 /nfs/dbraw/zinc/26/47/26/180264726.db2.gz ZTGMQUBRXKQOII-JTQLQIEISA-N 2 1 248.334 0.746 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC000293449943 180265685 /nfs/dbraw/zinc/26/56/85/180265685.db2.gz CLOAUNALYKQCBR-SNVBAGLBSA-N 2 1 248.334 0.746 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(N)=O ZINC000267274215 180268461 /nfs/dbraw/zinc/26/84/61/180268461.db2.gz TUQOEZCOESUKFJ-NXEZZACHSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000069665329 350376951 /nfs/dbraw/zinc/37/69/51/350376951.db2.gz CQRYEJJQJHJJFT-GXSJLCMTSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839777 350414717 /nfs/dbraw/zinc/41/47/17/350414717.db2.gz UNJCFRKZNNDVCV-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069840046 350415045 /nfs/dbraw/zinc/41/50/45/350415045.db2.gz PVZVFMCWJAFAEE-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228328939 191102095 /nfs/dbraw/zinc/10/20/95/191102095.db2.gz WFLKKKJHFAYEMH-MWLCHTKSSA-N 2 1 222.336 0.898 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC(F)(F)CN)CC[N@H+]1C ZINC000563968686 323335602 /nfs/dbraw/zinc/33/56/02/323335602.db2.gz NLUBNVULLMMQND-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000563968686 323335610 /nfs/dbraw/zinc/33/56/10/323335610.db2.gz NLUBNVULLMMQND-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000563968674 323335687 /nfs/dbraw/zinc/33/56/87/323335687.db2.gz LKHGBQXHKZYSGQ-HTQZYQBOSA-N 2 1 235.278 0.214 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177058171 365960998 /nfs/dbraw/zinc/96/09/98/365960998.db2.gz LRWMWUZCUACGDS-WCQYABFASA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177058171 365961001 /nfs/dbraw/zinc/96/10/01/365961001.db2.gz LRWMWUZCUACGDS-WCQYABFASA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058171 365961004 /nfs/dbraw/zinc/96/10/04/365961004.db2.gz LRWMWUZCUACGDS-WCQYABFASA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058171 365961008 /nfs/dbraw/zinc/96/10/08/365961008.db2.gz LRWMWUZCUACGDS-WCQYABFASA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337636020 350600843 /nfs/dbraw/zinc/60/08/43/350600843.db2.gz XYLQFRNJCGIVOD-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000337636020 350600846 /nfs/dbraw/zinc/60/08/46/350600846.db2.gz XYLQFRNJCGIVOD-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000331849297 350704334 /nfs/dbraw/zinc/70/43/34/350704334.db2.gz MBSPOZVTPGNHGJ-NSHDSACASA-N 2 1 240.351 0.071 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000236770133 350741731 /nfs/dbraw/zinc/74/17/31/350741731.db2.gz SBTLYZCIMPNEOO-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560505 362984609 /nfs/dbraw/zinc/98/46/09/362984609.db2.gz IHURTUHCVQMZSY-AAEUAGOBSA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000571174635 350867334 /nfs/dbraw/zinc/86/73/34/350867334.db2.gz LORQGTYJHOWPIH-UHFFFAOYSA-N 2 1 247.289 0.277 20 0 BCADMP CO[C@@](C)(CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560506 362984710 /nfs/dbraw/zinc/98/47/10/362984710.db2.gz IHURTUHCVQMZSY-DGCLKSJQSA-N 2 1 244.379 0.846 20 0 BCADMP COCCOCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422793912 192471544 /nfs/dbraw/zinc/47/15/44/192471544.db2.gz XQGULAARKGCTFH-NWDGAFQWSA-N 2 1 230.352 0.627 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000577612187 366018844 /nfs/dbraw/zinc/01/88/44/366018844.db2.gz JQHBREUJRMSWSD-ZDUSSCGKSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510953 351067188 /nfs/dbraw/zinc/06/71/88/351067188.db2.gz HWUWKFLGSUPHLN-YPMHNXCESA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520687 351071054 /nfs/dbraw/zinc/07/10/54/351071054.db2.gz RYBNISQZNQGOKY-GWCFXTLKSA-N 2 1 237.347 0.481 20 0 BCADMP CCN(CC[NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000626969794 363070293 /nfs/dbraw/zinc/07/02/93/363070293.db2.gz GRWZUSWZSSGONX-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CCN(CC[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000626975860 363073705 /nfs/dbraw/zinc/07/37/05/363073705.db2.gz HUUWZLYSRFYFAY-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CCn2cncn2)C1 ZINC000072860610 351638564 /nfs/dbraw/zinc/63/85/64/351638564.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC000072860610 351638566 /nfs/dbraw/zinc/63/85/66/351638566.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC000072860610 351638571 /nfs/dbraw/zinc/63/85/71/351638571.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000072860610 351638573 /nfs/dbraw/zinc/63/85/73/351638573.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000072860610 351638576 /nfs/dbraw/zinc/63/85/76/351638576.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 1 237.351 0.552 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000637806613 351643846 /nfs/dbraw/zinc/64/38/46/351643846.db2.gz YXZXSHAHYXTCAY-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806608 351643917 /nfs/dbraw/zinc/64/39/17/351643917.db2.gz YWZFCZQXIYWKDF-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000637811337 351652442 /nfs/dbraw/zinc/65/24/42/351652442.db2.gz JVYIVXPRJAUNGW-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000637815395 351654678 /nfs/dbraw/zinc/65/46/78/351654678.db2.gz AICOMEUZGWIWBK-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000637816258 351655959 /nfs/dbraw/zinc/65/59/59/351655959.db2.gz FMRNNXFDWVHLPA-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817001 351657767 /nfs/dbraw/zinc/65/77/67/351657767.db2.gz QEXCRUPCHCNDLL-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH2+]CC2)CC[N@H+]1C ZINC000637798184 351626668 /nfs/dbraw/zinc/62/66/68/351626668.db2.gz MWWHTSHXKHGCOK-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH3+])CC2)CC[N@H+]1C ZINC000637799570 351629158 /nfs/dbraw/zinc/62/91/58/351629158.db2.gz VWKPQIQBGJTZLX-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CC(=O)NC(C)(C)C[NH3+])CC(C)(C)C ZINC000637831332 351685041 /nfs/dbraw/zinc/68/50/41/351685041.db2.gz WGLLXMQLFIPFJR-UHFFFAOYSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H](C)[NH2+]1 ZINC000637840088 351694503 /nfs/dbraw/zinc/69/45/03/351694503.db2.gz NBNNLTKXYJDKOY-LMLFDSFASA-N 2 1 248.330 0.722 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637841110 351696361 /nfs/dbraw/zinc/69/63/61/351696361.db2.gz SMDYAYCUAFGBSO-AOOOYVTPSA-N 2 1 236.319 0.400 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637840678 351696639 /nfs/dbraw/zinc/69/66/39/351696639.db2.gz HFZABZPQFYTNSO-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844822 351699854 /nfs/dbraw/zinc/69/98/54/351699854.db2.gz ROKPHJMPQFEVAT-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637824674 351664520 /nfs/dbraw/zinc/66/45/20/351664520.db2.gz PPSJBQSSXLERKR-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827365 351676092 /nfs/dbraw/zinc/67/60/92/351676092.db2.gz QKJCMTVGIUOQMA-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637827303 351676160 /nfs/dbraw/zinc/67/61/60/351676160.db2.gz PLZPNXZTAPIAQW-UHFFFAOYSA-N 2 1 229.368 0.690 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637858818 351720207 /nfs/dbraw/zinc/72/02/07/351720207.db2.gz OUKDCIKLDGXQNF-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC000637861709 351722791 /nfs/dbraw/zinc/72/27/91/351722791.db2.gz IRFSJNRXRHGSPZ-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637853200 351708900 /nfs/dbraw/zinc/70/89/00/351708900.db2.gz SENLARRDVPVCAX-WCQYABFASA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637851653 351710551 /nfs/dbraw/zinc/71/05/51/351710551.db2.gz JXCSNWHXMWBJJS-WCQYABFASA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000637854713 351714304 /nfs/dbraw/zinc/71/43/04/351714304.db2.gz DOFNSNKEPHFPAN-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP CC[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638045966 351925236 /nfs/dbraw/zinc/92/52/36/351925236.db2.gz CSIJMHBXYXEAKX-LLVKDONJSA-N 2 1 223.320 0.198 20 0 BCADMP CC[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638045967 351925339 /nfs/dbraw/zinc/92/53/39/351925339.db2.gz CSIJMHBXYXEAKX-NSHDSACASA-N 2 1 223.320 0.198 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638071506 351943474 /nfs/dbraw/zinc/94/34/74/351943474.db2.gz FXDNITDMKBGWHW-UPJWGTAASA-N 2 1 249.358 0.777 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638072835 351944534 /nfs/dbraw/zinc/94/45/34/351944534.db2.gz PZEKDWWTVRQBJO-CMPLNLGQSA-N 2 1 249.358 0.634 20 0 BCADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000336734582 351889314 /nfs/dbraw/zinc/88/93/14/351889314.db2.gz NIWLNNBLPKQHLY-VXGBXAGGSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000336734582 351889316 /nfs/dbraw/zinc/88/93/16/351889316.db2.gz NIWLNNBLPKQHLY-VXGBXAGGSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368385323 187559620 /nfs/dbraw/zinc/55/96/20/187559620.db2.gz NLFQMQIEQXJAKH-LLVKDONJSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638144302 352007190 /nfs/dbraw/zinc/00/71/90/352007190.db2.gz AANKYBZTJYINLZ-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638147599 352008816 /nfs/dbraw/zinc/00/88/16/352008816.db2.gz WOWZXNVODQWFOR-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638148265 352009944 /nfs/dbraw/zinc/00/99/44/352009944.db2.gz MEYAAPVZFOXCKX-KOLCDFICSA-N 2 1 236.319 0.387 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000638080102 351953687 /nfs/dbraw/zinc/95/36/87/351953687.db2.gz YOXJDFZSBDUCSW-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091470 351968477 /nfs/dbraw/zinc/96/84/77/351968477.db2.gz VTFIDCYCFQEVSF-NSHDSACASA-N 2 1 234.303 0.355 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638095689 351975438 /nfs/dbraw/zinc/97/54/38/351975438.db2.gz BPZTUIFTLAJUEQ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098317 351977583 /nfs/dbraw/zinc/97/75/83/351977583.db2.gz BLWDHLXHMICNKB-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](CNC(=O)CCC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000638099674 351980036 /nfs/dbraw/zinc/98/00/36/351980036.db2.gz DAMYBKDBYRNKES-SNVBAGLBSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000638100576 351980626 /nfs/dbraw/zinc/98/06/26/351980626.db2.gz KFRATBXVYWMEBL-NXEZZACHSA-N 2 1 227.352 0.583 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000638115206 351990374 /nfs/dbraw/zinc/99/03/74/351990374.db2.gz BOWVHQRJZCAEAU-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195715 352057783 /nfs/dbraw/zinc/05/77/83/352057783.db2.gz PDLUTTOJPFPBGO-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638197617 352059678 /nfs/dbraw/zinc/05/96/78/352059678.db2.gz BISJYMOXBHQMEL-RYUDHWBXSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC000638202894 352063815 /nfs/dbraw/zinc/06/38/15/352063815.db2.gz BRTNAXGUJXZYSD-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000638209739 352072281 /nfs/dbraw/zinc/07/22/81/352072281.db2.gz FLJUBMATIJXXNH-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638156716 352019726 /nfs/dbraw/zinc/01/97/26/352019726.db2.gz QJDQJKXWHFYWFA-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CC[NH3+] ZINC000638156664 352020093 /nfs/dbraw/zinc/02/00/93/352020093.db2.gz OUUYBIQVNQPLGU-SNVBAGLBSA-N 2 1 238.335 0.860 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000638209928 352073132 /nfs/dbraw/zinc/07/31/32/352073132.db2.gz FYDZLEVQWPEQFU-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000638158806 352022893 /nfs/dbraw/zinc/02/28/93/352022893.db2.gz STRQBHCYPNCXAA-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCC2)C1 ZINC000638161669 352025411 /nfs/dbraw/zinc/02/54/11/352025411.db2.gz HQPXPOQGTFVKTM-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCC2)C1 ZINC000638161670 352025437 /nfs/dbraw/zinc/02/54/37/352025437.db2.gz HQPXPOQGTFVKTM-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000638160884 352028265 /nfs/dbraw/zinc/02/82/65/352028265.db2.gz ZVEHCJJRTQOPDS-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214546 352076283 /nfs/dbraw/zinc/07/62/83/352076283.db2.gz ZWOTZCOLXZBUHG-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638285026 352121884 /nfs/dbraw/zinc/12/18/84/352121884.db2.gz FCQCXFAUAWRFCG-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638303401 352132951 /nfs/dbraw/zinc/13/29/51/352132951.db2.gz FLRTYHOAKPMOQU-LLVKDONJSA-N 2 1 237.347 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000638242652 352089342 /nfs/dbraw/zinc/08/93/42/352089342.db2.gz GCRRYBSAZMMTIC-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638243659 352091448 /nfs/dbraw/zinc/09/14/48/352091448.db2.gz QPYYDSNWJMVBMZ-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638243653 352091732 /nfs/dbraw/zinc/09/17/32/352091732.db2.gz QPYYDSNWJMVBMZ-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246726 352093321 /nfs/dbraw/zinc/09/33/21/352093321.db2.gz DMOJHFLSBTZSPK-UWVGGRQHSA-N 2 1 240.282 0.008 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638253203 352096348 /nfs/dbraw/zinc/09/63/48/352096348.db2.gz IFDQSGGCAVVAGD-GXSJLCMTSA-N 2 1 231.315 0.144 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638254027 352096920 /nfs/dbraw/zinc/09/69/20/352096920.db2.gz FEBRLAJPVDLNQV-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638254029 352096993 /nfs/dbraw/zinc/09/69/93/352096993.db2.gz FEBRLAJPVDLNQV-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000638257784 352101167 /nfs/dbraw/zinc/10/11/67/352101167.db2.gz WOBLDEQXLVIULM-VPOLOUISSA-N 2 1 227.352 0.569 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000638258021 352101180 /nfs/dbraw/zinc/10/11/80/352101180.db2.gz XKRPPAOSKJHIDR-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638258220 352101972 /nfs/dbraw/zinc/10/19/72/352101972.db2.gz YSZXCDLPNYNPKX-IUCAKERBSA-N 2 1 210.281 0.043 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638266632 352106414 /nfs/dbraw/zinc/10/64/14/352106414.db2.gz CORUJPBUUFUHSV-QWRGUYRKSA-N 2 1 236.319 0.435 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000638270859 352109310 /nfs/dbraw/zinc/10/93/10/352109310.db2.gz NKZKIQVMRUMPIY-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638331719 352153772 /nfs/dbraw/zinc/15/37/72/352153772.db2.gz LBLHNZABOONGEW-LLVKDONJSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638371322 352184518 /nfs/dbraw/zinc/18/45/18/352184518.db2.gz QPBLCZNKOBVZCW-RKDXNWHRSA-N 2 1 224.308 0.434 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427220 352235145 /nfs/dbraw/zinc/23/51/45/352235145.db2.gz VFAOPWCUUMJHBZ-NEPJUHHUSA-N 2 1 237.347 0.634 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427474 352235697 /nfs/dbraw/zinc/23/56/97/352235697.db2.gz KTLCURAQAKRBLW-UHFFFAOYSA-N 2 1 234.303 0.060 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427223 352235848 /nfs/dbraw/zinc/23/58/48/352235848.db2.gz VFAOPWCUUMJHBZ-VXGBXAGGSA-N 2 1 237.347 0.634 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638399542 352204298 /nfs/dbraw/zinc/20/42/98/352204298.db2.gz ITFKJRIRYUYEON-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000638403139 352210010 /nfs/dbraw/zinc/21/00/10/352210010.db2.gz YCUDKYBNRGLEEQ-WDEREUQCSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638432963 352241403 /nfs/dbraw/zinc/24/14/03/352241403.db2.gz OHXXCLDDAISLGQ-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424327 352232110 /nfs/dbraw/zinc/23/21/10/352232110.db2.gz HRWBPTMFVWFOHA-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP Cn1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000270684120 180699063 /nfs/dbraw/zinc/69/90/63/180699063.db2.gz ZGXLHEVCMVUDLH-CYBMUJFWSA-N 2 1 237.347 0.571 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638535755 352367005 /nfs/dbraw/zinc/36/70/05/352367005.db2.gz DXIYGLWZSOITDZ-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C(C[NH2+][C@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414957910 352378566 /nfs/dbraw/zinc/37/85/66/352378566.db2.gz CDCHIDAVXSRUFW-RYUDHWBXSA-N 3 1 211.353 0.860 20 0 BCADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000126244163 187707089 /nfs/dbraw/zinc/70/70/89/187707089.db2.gz NSJYSEDZGYWVLW-BETUJISGSA-N 2 1 223.364 0.624 20 0 BCADMP C[C@H](O)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738741 191207690 /nfs/dbraw/zinc/20/76/90/191207690.db2.gz UUELLYVRGMYQEH-ZDUSSCGKSA-N 2 1 245.411 0.573 20 0 BCADMP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638638245 352479911 /nfs/dbraw/zinc/47/99/11/352479911.db2.gz BSRFFITUOMFJRH-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C[NH2+]1 ZINC000638642260 352485623 /nfs/dbraw/zinc/48/56/23/352485623.db2.gz WCJWAFDVXHQKOK-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643903 352486237 /nfs/dbraw/zinc/48/62/37/352486237.db2.gz NEAGIMFMEYPDFD-GHMZBOCLSA-N 2 1 227.352 0.583 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638727832 352586380 /nfs/dbraw/zinc/58/63/80/352586380.db2.gz MIXXRJFRFQAWAM-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165698 352613683 /nfs/dbraw/zinc/61/36/83/352613683.db2.gz RZYGVPRTGOOPLS-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000041680047 352616289 /nfs/dbraw/zinc/61/62/89/352616289.db2.gz KXYFFELNJXYNGR-NXEZZACHSA-N 2 1 245.392 0.495 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000300422202 352563046 /nfs/dbraw/zinc/56/30/46/352563046.db2.gz WUVZITFKJYAFDA-JFGNBEQYSA-N 2 1 239.363 0.583 20 0 BCADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000044376426 352652414 /nfs/dbraw/zinc/65/24/14/352652414.db2.gz OHIVWFAMFJJWAG-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044751086 352655526 /nfs/dbraw/zinc/65/55/26/352655526.db2.gz FZHZIFPHAWPPRC-UHFFFAOYSA-N 2 1 213.325 0.135 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493655 352637484 /nfs/dbraw/zinc/63/74/84/352637484.db2.gz RRZDRSVWNJVLCG-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493655 352637486 /nfs/dbraw/zinc/63/74/86/352637486.db2.gz RRZDRSVWNJVLCG-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638765192 352703976 /nfs/dbraw/zinc/70/39/76/352703976.db2.gz DSSSIRVNJGYAFY-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334185720 352774663 /nfs/dbraw/zinc/77/46/63/352774663.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334185720 352774666 /nfs/dbraw/zinc/77/46/66/352774666.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334185720 352774667 /nfs/dbraw/zinc/77/46/67/352774667.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000334217664 352818774 /nfs/dbraw/zinc/81/87/74/352818774.db2.gz HOYSAWIEFFBIKZ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000334217664 352818779 /nfs/dbraw/zinc/81/87/79/352818779.db2.gz HOYSAWIEFFBIKZ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H](C)C[NH3+] ZINC000420212319 192176553 /nfs/dbraw/zinc/17/65/53/192176553.db2.gz GIELGBFFHDEXSF-VIFPVBQESA-N 2 1 237.303 0.687 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000334198309 352790990 /nfs/dbraw/zinc/79/09/90/352790990.db2.gz LMBJPJXPTYNWAK-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334198309 352790992 /nfs/dbraw/zinc/79/09/92/352790992.db2.gz LMBJPJXPTYNWAK-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](C)C ZINC000334314693 352945107 /nfs/dbraw/zinc/94/51/07/352945107.db2.gz MMRWZDBDBCCKTM-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000334392625 353064906 /nfs/dbraw/zinc/06/49/06/353064906.db2.gz XXUBADMKLKYLIP-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1(C)C ZINC000334392625 353064907 /nfs/dbraw/zinc/06/49/07/353064907.db2.gz XXUBADMKLKYLIP-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1(C)C ZINC000334392625 353064908 /nfs/dbraw/zinc/06/49/08/353064908.db2.gz XXUBADMKLKYLIP-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000334392625 353064913 /nfs/dbraw/zinc/06/49/13/353064913.db2.gz XXUBADMKLKYLIP-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP CCCC[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000032021955 353070075 /nfs/dbraw/zinc/07/00/75/353070075.db2.gz BUMHPPXWQUYBSJ-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914139 353072673 /nfs/dbraw/zinc/07/26/73/353072673.db2.gz MWSAOQRYPWSIAK-DCAQKATOSA-N 2 1 223.320 0.043 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000261585807 535197986 /nfs/dbraw/zinc/19/79/86/535197986.db2.gz QQDPZZGZQWGXLM-SECBINFHSA-N 2 1 213.325 0.454 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638930781 353092058 /nfs/dbraw/zinc/09/20/58/353092058.db2.gz MDYWWFUADXGZIL-WPRPVWTQSA-N 2 1 222.292 0.140 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638931506 353092507 /nfs/dbraw/zinc/09/25/07/353092507.db2.gz PKCHHDHFDIRXHX-QWRGUYRKSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@H+](C[C@@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336684160 188010755 /nfs/dbraw/zinc/01/07/55/188010755.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C[C@@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336684160 188010757 /nfs/dbraw/zinc/01/07/57/188010757.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336684160 188010758 /nfs/dbraw/zinc/01/07/58/188010758.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336684160 188010760 /nfs/dbraw/zinc/01/07/60/188010760.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336683206 188010900 /nfs/dbraw/zinc/01/09/00/188010900.db2.gz JPNQICYHIAHXNE-RYUDHWBXSA-N 2 1 214.353 0.887 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931330 188013062 /nfs/dbraw/zinc/01/30/62/188013062.db2.gz FDUJCXWJAFJGMI-JTQLQIEISA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040921795 188043245 /nfs/dbraw/zinc/04/32/45/188043245.db2.gz JHOFEGXERBREBJ-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[N@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133970786 188049310 /nfs/dbraw/zinc/04/93/10/188049310.db2.gz BDTXXNBFRRMVKL-CHWSQXEVSA-N 2 1 243.395 0.683 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000638944075 353144837 /nfs/dbraw/zinc/14/48/37/353144837.db2.gz XVZTYOXRVYHLFN-OPRDCNLKSA-N 2 1 243.376 0.283 20 0 BCADMP CC(C)([NH3+])CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335361869 535203315 /nfs/dbraw/zinc/20/33/15/535203315.db2.gz XVZHAKDQVLAVHH-NSHDSACASA-N 2 1 246.330 0.067 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967234 353175179 /nfs/dbraw/zinc/17/51/79/353175179.db2.gz LASMHTGNVQGRPS-HAQNSBGRSA-N 2 1 241.379 0.962 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250042986 353267647 /nfs/dbraw/zinc/26/76/47/353267647.db2.gz VBZZLXCUWRLRQA-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250042986 353267650 /nfs/dbraw/zinc/26/76/50/353267650.db2.gz VBZZLXCUWRLRQA-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344580 353269668 /nfs/dbraw/zinc/26/96/68/353269668.db2.gz QFFWTMABOORHKT-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706411 353287291 /nfs/dbraw/zinc/28/72/91/353287291.db2.gz JDXQWJWAQPYQLU-FXPVBKGRSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706411 353287293 /nfs/dbraw/zinc/28/72/93/353287293.db2.gz JDXQWJWAQPYQLU-FXPVBKGRSA-N 2 1 225.336 0.323 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019411954 188284226 /nfs/dbraw/zinc/28/42/26/188284226.db2.gz YJDSAXBPWJLUNH-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)(O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724388 188284748 /nfs/dbraw/zinc/28/47/48/188284748.db2.gz PQFYKOVYPUPHIQ-SNVBAGLBSA-N 2 1 200.326 0.818 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000252841689 353312096 /nfs/dbraw/zinc/31/20/96/353312096.db2.gz APCRVSADWOGUKO-FVCCEPFGSA-N 2 1 224.348 0.689 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000162737180 353330061 /nfs/dbraw/zinc/33/00/61/353330061.db2.gz HETVZIFPUCIGOE-NSHDSACASA-N 2 1 229.368 0.960 20 0 BCADMP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865884 353313139 /nfs/dbraw/zinc/31/31/39/353313139.db2.gz PZECWSHAZXPQEI-BJDJZHNGSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865884 353313140 /nfs/dbraw/zinc/31/31/40/353313140.db2.gz PZECWSHAZXPQEI-BJDJZHNGSA-N 2 1 240.347 0.997 20 0 BCADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049025 353339898 /nfs/dbraw/zinc/33/98/98/353339898.db2.gz GSMLYRXEBYMQCW-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049025 353339900 /nfs/dbraw/zinc/33/99/00/353339900.db2.gz GSMLYRXEBYMQCW-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308512115 188340778 /nfs/dbraw/zinc/34/07/78/188340778.db2.gz LJICAFWXPROJDH-WDEREUQCSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308512115 188340780 /nfs/dbraw/zinc/34/07/80/188340780.db2.gz LJICAFWXPROJDH-WDEREUQCSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000163478933 353353219 /nfs/dbraw/zinc/35/32/19/353353219.db2.gz IZHMSNQDJUJRCI-VHSXEESVSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000163478933 353353221 /nfs/dbraw/zinc/35/32/21/353353221.db2.gz IZHMSNQDJUJRCI-VHSXEESVSA-N 2 1 243.376 0.249 20 0 BCADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCNC1=O ZINC000179304783 188343937 /nfs/dbraw/zinc/34/39/37/188343937.db2.gz BFIUUSKLLUTMFD-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000179304783 188343939 /nfs/dbraw/zinc/34/39/39/188343939.db2.gz BFIUUSKLLUTMFD-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP FC(F)COCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308904930 491050195 /nfs/dbraw/zinc/05/01/95/491050195.db2.gz MCLSLCPKZVJPOX-RKDXNWHRSA-N 2 1 220.263 0.419 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1CCn1ccnc1 ZINC000336647307 188357868 /nfs/dbraw/zinc/35/78/68/188357868.db2.gz LZBGINPYNVQRKV-NSHDSACASA-N 2 1 208.309 0.519 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000336723482 188359599 /nfs/dbraw/zinc/35/95/99/188359599.db2.gz UDCVHLHFNPAMDB-SECBINFHSA-N 2 1 249.305 0.522 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163667181 188365861 /nfs/dbraw/zinc/36/58/61/188365861.db2.gz GDTXBXRXPAQOPM-AXFHLTTASA-N 2 1 212.337 0.817 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+](C)C ZINC000412392876 191278597 /nfs/dbraw/zinc/27/85/97/191278597.db2.gz FTXRHBWFWJKGSB-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334509375 353412137 /nfs/dbraw/zinc/41/21/37/353412137.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334509375 353412140 /nfs/dbraw/zinc/41/21/40/353412140.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334509375 353412143 /nfs/dbraw/zinc/41/21/43/353412143.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334509375 353412145 /nfs/dbraw/zinc/41/21/45/353412145.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000571669492 353490206 /nfs/dbraw/zinc/49/02/06/353490206.db2.gz QIERPOJUFCHUDQ-NEPJUHHUSA-N 3 1 213.369 0.964 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134490651 353491494 /nfs/dbraw/zinc/49/14/94/353491494.db2.gz ZOAQPIYVHBSBAY-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000574986411 353514230 /nfs/dbraw/zinc/51/42/30/353514230.db2.gz ILVKXRTZEVNHHF-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000193132159 353575774 /nfs/dbraw/zinc/57/57/74/353575774.db2.gz UCHSGKKDRQIREP-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000193132147 353575843 /nfs/dbraw/zinc/57/58/43/353575843.db2.gz UCHSGKKDRQIREP-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000334514254 353579441 /nfs/dbraw/zinc/57/94/41/353579441.db2.gz HTDLMFBHSQZXGD-GHMZBOCLSA-N 2 1 227.352 0.535 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000193318920 353583479 /nfs/dbraw/zinc/58/34/79/353583479.db2.gz KKDMKZHVNADOTN-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062889604 353573556 /nfs/dbraw/zinc/57/35/56/353573556.db2.gz LSEFJMAYTKOZTD-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000231786583 353655123 /nfs/dbraw/zinc/65/51/23/353655123.db2.gz DOHPQRTUZYBHEC-YPMHNXCESA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000231786576 353655350 /nfs/dbraw/zinc/65/53/50/353655350.db2.gz DOHPQRTUZYBHEC-AAEUAGOBSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000220369476 353837127 /nfs/dbraw/zinc/83/71/27/353837127.db2.gz NTDJNTFVDZNAKN-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]CC1(F)F ZINC000334538886 353926454 /nfs/dbraw/zinc/92/64/54/353926454.db2.gz KCYJKEOEHJTGSD-DTWKUNHWSA-N 2 1 247.289 0.099 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1CO ZINC000343755549 353973306 /nfs/dbraw/zinc/97/33/06/353973306.db2.gz XXZBPZVVFJMTCL-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1CO ZINC000343755549 353973309 /nfs/dbraw/zinc/97/33/09/353973309.db2.gz XXZBPZVVFJMTCL-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@H]1CO ZINC000343755549 353973311 /nfs/dbraw/zinc/97/33/11/353973311.db2.gz XXZBPZVVFJMTCL-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@H]1CO ZINC000343755549 353973313 /nfs/dbraw/zinc/97/33/13/353973313.db2.gz XXZBPZVVFJMTCL-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577955180 366138474 /nfs/dbraw/zinc/13/84/74/366138474.db2.gz GOZKYMIREOTTEF-NRUUGDAUSA-N 2 1 235.331 0.091 20 0 BCADMP CO[C@@]1(C[N@@H+](C)CCC[NH+](C)C)CCOC1 ZINC000639167706 354038590 /nfs/dbraw/zinc/03/85/90/354038590.db2.gz JWOGOLUDWDBJMT-GFCCVEGCSA-N 2 1 230.352 0.675 20 0 BCADMP CO[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1C ZINC000230312140 363303995 /nfs/dbraw/zinc/30/39/95/363303995.db2.gz CQEFDPHIXYKQNH-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C1 ZINC000231075066 363336671 /nfs/dbraw/zinc/33/66/71/363336671.db2.gz WIZNTNLWQFNIDB-ZJUUUORDSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167517115 134000892 /nfs/dbraw/zinc/00/08/92/134000892.db2.gz IUXYTMNLPSZOGO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000334606724 354313608 /nfs/dbraw/zinc/31/36/08/354313608.db2.gz ODFKKBRKHZNIKC-ZJUUUORDSA-N 2 1 243.376 0.236 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000167532603 134004458 /nfs/dbraw/zinc/00/44/58/134004458.db2.gz AOQZKPSHHJVBRD-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](C)CC1 ZINC000344684974 354333567 /nfs/dbraw/zinc/33/35/67/354333567.db2.gz AZWYQJUNMYCQKG-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000345015522 354394829 /nfs/dbraw/zinc/39/48/29/354394829.db2.gz SKRGICDIDNDVGY-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000345015522 354394832 /nfs/dbraw/zinc/39/48/32/354394832.db2.gz SKRGICDIDNDVGY-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCC[NH+]1C ZINC000345015522 354394836 /nfs/dbraw/zinc/39/48/36/354394836.db2.gz SKRGICDIDNDVGY-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCC[NH+]1C ZINC000345015522 354394840 /nfs/dbraw/zinc/39/48/40/354394840.db2.gz SKRGICDIDNDVGY-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197387 /nfs/dbraw/zinc/19/73/87/366197387.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197393 /nfs/dbraw/zinc/19/73/93/366197393.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197397 /nfs/dbraw/zinc/19/73/97/366197397.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP O=C1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCCN1 ZINC000639191380 354509876 /nfs/dbraw/zinc/50/98/76/354509876.db2.gz ITYXYCIOORCTDZ-UWVGGRQHSA-N 2 1 248.330 0.525 20 0 BCADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000334802075 354557685 /nfs/dbraw/zinc/55/76/85/354557685.db2.gz XADLOOZFSZESLK-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000345327950 354611202 /nfs/dbraw/zinc/61/12/02/354611202.db2.gz UMBRKEFUIXVEPF-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345327950 354611205 /nfs/dbraw/zinc/61/12/05/354611205.db2.gz UMBRKEFUIXVEPF-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345327950 354611207 /nfs/dbraw/zinc/61/12/07/354611207.db2.gz UMBRKEFUIXVEPF-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000335110107 354696081 /nfs/dbraw/zinc/69/60/81/354696081.db2.gz DLYQDAVREVMRBW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000335110107 354696084 /nfs/dbraw/zinc/69/60/84/354696084.db2.gz DLYQDAVREVMRBW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](CO)COC)CC1 ZINC000233472234 363403448 /nfs/dbraw/zinc/40/34/48/363403448.db2.gz BUZTYFCLDUAGOM-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](COC)C1 ZINC000234392187 363421428 /nfs/dbraw/zinc/42/14/28/363421428.db2.gz SDOZPTHAHZSVAK-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)C ZINC000234715769 363427246 /nfs/dbraw/zinc/42/72/46/363427246.db2.gz SCHBMWAQCNVDSL-GHMZBOCLSA-N 2 1 200.326 0.999 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C(C)C ZINC000234709583 363427757 /nfs/dbraw/zinc/42/77/57/363427757.db2.gz SCHBMWAQCNVDSL-WDEREUQCSA-N 2 1 200.326 0.999 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346954338 355166600 /nfs/dbraw/zinc/16/66/00/355166600.db2.gz AWVQAWQHZPVFBQ-CYBMUJFWSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346830208 355128841 /nfs/dbraw/zinc/12/88/41/355128841.db2.gz KEFQTFQGADACJW-QWRGUYRKSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833699 355130916 /nfs/dbraw/zinc/13/09/16/355130916.db2.gz MJUZGSSONGIJTC-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833699 355130919 /nfs/dbraw/zinc/13/09/19/355130919.db2.gz MJUZGSSONGIJTC-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP OCC[N@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000346848224 355136663 /nfs/dbraw/zinc/13/66/63/355136663.db2.gz PWOUIPVUAMFSQA-UHFFFAOYSA-N 2 1 249.358 0.876 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503659 358493773 /nfs/dbraw/zinc/49/37/73/358493773.db2.gz VGGXEQNTEUBUKX-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP COCC[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346982291 355184516 /nfs/dbraw/zinc/18/45/16/355184516.db2.gz NFMROEHDBJJKEB-UHFFFAOYSA-N 2 1 244.335 0.107 20 0 BCADMP COCC[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346982291 355184519 /nfs/dbraw/zinc/18/45/19/355184519.db2.gz NFMROEHDBJJKEB-UHFFFAOYSA-N 2 1 244.335 0.107 20 0 BCADMP CC(C)NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512257 355248232 /nfs/dbraw/zinc/24/82/32/355248232.db2.gz XEVUYNUOOMYTTI-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000347612201 355234816 /nfs/dbraw/zinc/23/48/16/355234816.db2.gz PRKHKORBSJOKIM-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC000347612201 355234821 /nfs/dbraw/zinc/23/48/21/355234821.db2.gz PRKHKORBSJOKIM-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC000347612201 355234823 /nfs/dbraw/zinc/23/48/23/355234823.db2.gz PRKHKORBSJOKIM-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP C[C@H](C[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000347685308 355269484 /nfs/dbraw/zinc/26/94/84/355269484.db2.gz LCBCJRUMEVTCLL-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP CCNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335281764 355272966 /nfs/dbraw/zinc/27/29/66/355272966.db2.gz XFFTTXFPBGFXPS-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC[N@H+]1C ZINC000639245674 355254965 /nfs/dbraw/zinc/25/49/65/355254965.db2.gz ZTHQQCKPLMKAFU-NQBHXWOUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC000639259626 355309940 /nfs/dbraw/zinc/30/99/40/355309940.db2.gz BTANNCDYEMHTRC-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000639253096 355287875 /nfs/dbraw/zinc/28/78/75/355287875.db2.gz KVZCMLZVOCEGQW-NNYUYHANSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000639253096 355287878 /nfs/dbraw/zinc/28/78/78/355287878.db2.gz KVZCMLZVOCEGQW-NNYUYHANSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@H](O)C[N@H+]1CCCc1cncn1C ZINC000314638118 355359097 /nfs/dbraw/zinc/35/90/97/355359097.db2.gz UNLTZQONBQVSLW-JQWIXIFHSA-N 2 1 223.320 0.808 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191364176 355394772 /nfs/dbraw/zinc/39/47/72/355394772.db2.gz WNVADWVUWPZHDJ-SNVBAGLBSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335820992 355539097 /nfs/dbraw/zinc/53/90/97/355539097.db2.gz HNRNNKKJZFBCPB-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC000112332699 181198519 /nfs/dbraw/zinc/19/85/19/181198519.db2.gz HVBDGFPKGVLCJU-GHMZBOCLSA-N 2 1 238.335 0.126 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028963 134058038 /nfs/dbraw/zinc/05/80/38/134058038.db2.gz BKVYPCPCHMLVPT-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028963 134058039 /nfs/dbraw/zinc/05/80/39/134058039.db2.gz BKVYPCPCHMLVPT-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP CC(C)[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000628370119 355878736 /nfs/dbraw/zinc/87/87/36/355878736.db2.gz XZAWSKBXTPFNFQ-UHFFFAOYSA-N 2 1 230.352 0.146 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442664132 191904037 /nfs/dbraw/zinc/90/40/37/191904037.db2.gz VQIKVSLFPZADAZ-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442664132 191904039 /nfs/dbraw/zinc/90/40/39/191904039.db2.gz VQIKVSLFPZADAZ-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000167432004 355992985 /nfs/dbraw/zinc/99/29/85/355992985.db2.gz AJVURMACIHYNPP-PWSUYJOCSA-N 2 1 230.352 0.314 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000216465667 356063384 /nfs/dbraw/zinc/06/33/84/356063384.db2.gz JSNUNZYKHVBANE-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860642 356098463 /nfs/dbraw/zinc/09/84/63/356098463.db2.gz HBBCDBIODCHELA-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860642 356098468 /nfs/dbraw/zinc/09/84/68/356098468.db2.gz HBBCDBIODCHELA-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867617 356102889 /nfs/dbraw/zinc/10/28/89/356102889.db2.gz YXNVNQFCPHHGLM-TUAOUCFPSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]CCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418278668 192013105 /nfs/dbraw/zinc/01/31/05/192013105.db2.gz MNMOJVOXWRLZDY-UHFFFAOYSA-N 2 1 240.351 0.157 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC([NH+](C)C)CC1 ZINC000639450490 356234262 /nfs/dbraw/zinc/23/42/62/356234262.db2.gz PJZHFRXKYKMZCI-UHFFFAOYSA-N 2 1 236.363 0.989 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H](C)[NH2+]C ZINC000420240773 192184755 /nfs/dbraw/zinc/18/47/55/192184755.db2.gz MGGVYWSJPRRNGQ-SECBINFHSA-N 2 1 237.303 0.700 20 0 BCADMP NC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292664 192203873 /nfs/dbraw/zinc/20/38/73/192203873.db2.gz PUQANGORTNXRLO-NWDGAFQWSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292664 192203875 /nfs/dbraw/zinc/20/38/75/192203875.db2.gz PUQANGORTNXRLO-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292664 192203877 /nfs/dbraw/zinc/20/38/77/192203877.db2.gz PUQANGORTNXRLO-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@@H]1CN(CC[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000420295941 192205136 /nfs/dbraw/zinc/20/51/36/192205136.db2.gz WIQKGIIFXFPQDE-GFCCVEGCSA-N 2 1 243.395 0.624 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302909 192206205 /nfs/dbraw/zinc/20/62/05/192206205.db2.gz MSQHGCDFYAWGPI-RYUDHWBXSA-N 2 1 239.363 0.716 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)[C@@H](C)[NH3+] ZINC000420269254 192195521 /nfs/dbraw/zinc/19/55/21/192195521.db2.gz SYKAJQBRLKFLCU-RKDXNWHRSA-N 2 1 237.303 0.828 20 0 BCADMP CCOC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420318998 192195717 /nfs/dbraw/zinc/19/57/17/192195717.db2.gz QYLUHLJGYUWRPK-LBPRGKRZSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420318924 192195746 /nfs/dbraw/zinc/19/57/46/192195746.db2.gz QQZNVNMINDIRLY-JQWIXIFHSA-N 2 1 240.347 0.869 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319222 192196087 /nfs/dbraw/zinc/19/60/87/192196087.db2.gz RINUTRYUKYXLHL-BFHYXJOUSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319222 192196090 /nfs/dbraw/zinc/19/60/90/192196090.db2.gz RINUTRYUKYXLHL-BFHYXJOUSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+](C)C ZINC000336125173 134092765 /nfs/dbraw/zinc/09/27/65/134092765.db2.gz XROAGHIHLNNMFV-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127628 134093551 /nfs/dbraw/zinc/09/35/51/134093551.db2.gz GAVWISNBIFVIQU-SCZZXKLOSA-N 2 1 225.336 0.323 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488826 356305452 /nfs/dbraw/zinc/30/54/52/356305452.db2.gz LNOAXDXXDZFKHO-VXGBXAGGSA-N 2 1 249.362 0.649 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617750318 356308663 /nfs/dbraw/zinc/30/86/63/356308663.db2.gz AXJHRQOEEGOSEP-LLVKDONJSA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H](CN1CCOCC1)N(C)CC(C)(C)C[NH3+] ZINC000420289988 192201173 /nfs/dbraw/zinc/20/11/73/192201173.db2.gz LAWUTOYIFHBOMN-LBPRGKRZSA-N 2 1 243.395 0.624 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420292901 192202502 /nfs/dbraw/zinc/20/25/02/192202502.db2.gz QHEGIBREDYFQLB-QWRGUYRKSA-N 2 1 240.347 0.999 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420294131 192202733 /nfs/dbraw/zinc/20/27/33/192202733.db2.gz SLIWOBNOTXABAX-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617762075 356320245 /nfs/dbraw/zinc/32/02/45/356320245.db2.gz GQVFNGBZWUNLBO-SNVBAGLBSA-N 2 1 238.335 0.648 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337359 192213671 /nfs/dbraw/zinc/21/36/71/192213671.db2.gz WUAOEDCKQNFIIO-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP COCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329823 192214205 /nfs/dbraw/zinc/21/42/05/192214205.db2.gz PCAGPWOTFOHMMO-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP COCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329826 192214345 /nfs/dbraw/zinc/21/43/45/192214345.db2.gz PCAGPWOTFOHMMO-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+](CCOc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000420350518 192217612 /nfs/dbraw/zinc/21/76/12/192217612.db2.gz HESJXQJVWDNLGJ-LLVKDONJSA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000420350518 192217614 /nfs/dbraw/zinc/21/76/14/192217614.db2.gz HESJXQJVWDNLGJ-LLVKDONJSA-N 2 1 242.294 0.456 20 0 BCADMP C[C@H]1CN(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353393 192218350 /nfs/dbraw/zinc/21/83/50/192218350.db2.gz BUZZADHEZVKPKP-RYUDHWBXSA-N 2 1 243.395 0.670 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420299674 192207666 /nfs/dbraw/zinc/20/76/66/192207666.db2.gz BGFVJVVUQSUFBK-SRVKXCTJSA-N 2 1 240.347 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420303340 192207835 /nfs/dbraw/zinc/20/78/35/192207835.db2.gz XECGQMCWVNWXHY-SNVBAGLBSA-N 2 1 214.309 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420312971 192209901 /nfs/dbraw/zinc/20/99/01/192209901.db2.gz SUDWXZKDYQZCQX-SDDRHHMPSA-N 2 1 239.363 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420309700 192209936 /nfs/dbraw/zinc/20/99/36/192209936.db2.gz FBOOAVCIVIXEDD-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420311173 192210951 /nfs/dbraw/zinc/21/09/51/192210951.db2.gz GYSGYLZOWXPNRR-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000420366827 192225773 /nfs/dbraw/zinc/22/57/73/192225773.db2.gz MOMCXQAPAJMINH-DDHJBXDOSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000420366829 192225948 /nfs/dbraw/zinc/22/59/48/192225948.db2.gz MOMCXQAPAJMINH-WISYIIOYSA-N 2 1 212.337 0.999 20 0 BCADMP CCOC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367149 192226250 /nfs/dbraw/zinc/22/62/50/192226250.db2.gz MPPCSGWTIMBTNV-CKYFFXLPSA-N 2 1 228.336 0.916 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420371020 192226695 /nfs/dbraw/zinc/22/66/95/192226695.db2.gz WQQJRTPEEYKFOZ-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369786 192228035 /nfs/dbraw/zinc/22/80/35/192228035.db2.gz OMUSSEIZLJKAHE-WZRBSPASSA-N 3 1 225.380 0.962 20 0 BCADMP CCC[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000420371130 192228280 /nfs/dbraw/zinc/22/82/80/192228280.db2.gz ZQARNJYWRHNLJW-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP CCC[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000420371130 192228281 /nfs/dbraw/zinc/22/82/81/192228281.db2.gz ZQARNJYWRHNLJW-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327688 192229264 /nfs/dbraw/zinc/22/92/64/192229264.db2.gz LSCYMIUSFAQSTB-QJPTWQEYSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327688 192229265 /nfs/dbraw/zinc/22/92/65/192229265.db2.gz LSCYMIUSFAQSTB-QJPTWQEYSA-N 2 1 211.353 0.655 20 0 BCADMP CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360745 192222727 /nfs/dbraw/zinc/22/27/27/192222727.db2.gz MCVGGNLAFJMUNF-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420366106 192224329 /nfs/dbraw/zinc/22/43/29/192224329.db2.gz QXOGXPAYQOYDGQ-SECBINFHSA-N 2 1 216.325 0.903 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000420365863 192224576 /nfs/dbraw/zinc/22/45/76/192224576.db2.gz SWPBOAHCJHDGAJ-SNVBAGLBSA-N 2 1 214.309 0.623 20 0 BCADMP C[N@H+]1CC[C@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408706 192239430 /nfs/dbraw/zinc/23/94/30/192239430.db2.gz PSJHXUWBUSXPBR-QWHCGFSZSA-N 2 1 219.332 0.980 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420418594 192241395 /nfs/dbraw/zinc/24/13/95/192241395.db2.gz XAHWVMOAWHTMNA-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412422 356483009 /nfs/dbraw/zinc/48/30/09/356483009.db2.gz VDKMULDBZGUXMP-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250824119 181279714 /nfs/dbraw/zinc/27/97/14/181279714.db2.gz GWGBYWACNLWZSG-VXGBXAGGSA-N 2 1 239.363 0.716 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968352 192285119 /nfs/dbraw/zinc/28/51/19/192285119.db2.gz BPKSLYAABSPQJI-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000336212290 134135242 /nfs/dbraw/zinc/13/52/42/134135242.db2.gz KXXOBKCPDJSLGC-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP Cn1cncc1CC[N@H+]1CCC[C@H](O)CC1 ZINC000639659412 356568419 /nfs/dbraw/zinc/56/84/19/356568419.db2.gz OAWKSJYHOKXVHL-LBPRGKRZSA-N 2 1 223.320 0.809 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000630092579 363516368 /nfs/dbraw/zinc/51/63/68/363516368.db2.gz RESAUSDFTISCKN-WCQYABFASA-N 2 1 248.330 0.531 20 0 BCADMP CNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755140 356658247 /nfs/dbraw/zinc/65/82/47/356658247.db2.gz GUGDHEXWJXCYHL-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000346652673 134153248 /nfs/dbraw/zinc/15/32/48/134153248.db2.gz SNWOXYOXYNIUJT-WDEREUQCSA-N 2 1 241.379 0.688 20 0 BCADMP CCC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761712 356679244 /nfs/dbraw/zinc/67/92/44/356679244.db2.gz DIXZLTBQRNAWLZ-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CCC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761712 356679246 /nfs/dbraw/zinc/67/92/46/356679246.db2.gz DIXZLTBQRNAWLZ-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763323 356689131 /nfs/dbraw/zinc/68/91/31/356689131.db2.gz QLRQVCWHLPLZJA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763323 356689133 /nfs/dbraw/zinc/68/91/33/356689133.db2.gz QLRQVCWHLPLZJA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000639763211 356689146 /nfs/dbraw/zinc/68/91/46/356689146.db2.gz WEHTXKHIMZTOAH-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCCOC2)C1 ZINC000639763211 356689148 /nfs/dbraw/zinc/68/91/48/356689148.db2.gz WEHTXKHIMZTOAH-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2(C)COC2)C1 ZINC000639762088 356681080 /nfs/dbraw/zinc/68/10/80/356681080.db2.gz KEJTXWZTQWFTBK-CYBMUJFWSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2(C)COC2)C1 ZINC000639762088 356681085 /nfs/dbraw/zinc/68/10/85/356681085.db2.gz KEJTXWZTQWFTBK-CYBMUJFWSA-N 2 1 242.363 0.411 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000179981262 366345790 /nfs/dbraw/zinc/34/57/90/366345790.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000179981262 366345794 /nfs/dbraw/zinc/34/57/94/366345794.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000179981262 366345802 /nfs/dbraw/zinc/34/58/02/366345802.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380835 356697688 /nfs/dbraw/zinc/69/76/88/356697688.db2.gz GPXRGGKKLHCTSG-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380835 356697690 /nfs/dbraw/zinc/69/76/90/356697690.db2.gz GPXRGGKKLHCTSG-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000353787269 356718968 /nfs/dbraw/zinc/71/89/68/356718968.db2.gz PUYZUFNTUZCXHY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000353787269 356718972 /nfs/dbraw/zinc/71/89/72/356718972.db2.gz PUYZUFNTUZCXHY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000353787269 356718975 /nfs/dbraw/zinc/71/89/75/356718975.db2.gz PUYZUFNTUZCXHY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639781390 356730335 /nfs/dbraw/zinc/73/03/35/356730335.db2.gz AXNCCSSEMFQACG-YNEHKIRRSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254085 356820638 /nfs/dbraw/zinc/82/06/38/356820638.db2.gz YQTHLZPKDBWYJU-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186758 /nfs/dbraw/zinc/18/67/58/202186758.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]nn3)CC[C@H]21 ZINC000450498941 202186761 /nfs/dbraw/zinc/18/67/61/202186761.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH]nn3)CC[C@H]21 ZINC000450498941 202186762 /nfs/dbraw/zinc/18/67/62/202186762.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 1 235.335 0.721 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848635 356846787 /nfs/dbraw/zinc/84/67/87/356846787.db2.gz HXYCFJWOMAXDMF-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848635 356846790 /nfs/dbraw/zinc/84/67/90/356846790.db2.gz HXYCFJWOMAXDMF-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187573 /nfs/dbraw/zinc/18/75/73/202187573.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH]nn3)CC[C@H]21 ZINC000450498944 202187575 /nfs/dbraw/zinc/18/75/75/202187575.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH]nn3)CC[C@H]21 ZINC000450498944 202187579 /nfs/dbraw/zinc/18/75/79/202187579.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853192 /nfs/dbraw/zinc/85/31/92/356853192.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853193 /nfs/dbraw/zinc/85/31/93/356853193.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853194 /nfs/dbraw/zinc/85/31/94/356853194.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP CC[NH+]1CCC([N@H+](CCO)C2CC2)CC1 ZINC000361955315 356939765 /nfs/dbraw/zinc/93/97/65/356939765.db2.gz NUTCAMOZJOPYAA-UHFFFAOYSA-N 2 1 212.337 0.927 20 0 BCADMP CC[NH+]1CCC([N@@H+](CCO)C2CC2)CC1 ZINC000361955315 356939769 /nfs/dbraw/zinc/93/97/69/356939769.db2.gz NUTCAMOZJOPYAA-UHFFFAOYSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156113893 538769533 /nfs/dbraw/zinc/76/95/33/538769533.db2.gz KFNZBTPDCRCACF-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCOCC1 ZINC000390633275 357108291 /nfs/dbraw/zinc/10/82/91/357108291.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCOCC1 ZINC000390633275 357108292 /nfs/dbraw/zinc/10/82/92/357108292.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCOCC1 ZINC000390633275 357108293 /nfs/dbraw/zinc/10/82/93/357108293.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCOCC1 ZINC000390633275 357108294 /nfs/dbraw/zinc/10/82/94/357108294.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000582425715 357146162 /nfs/dbraw/zinc/14/61/62/357146162.db2.gz KMUJICHECVJQGG-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]CCCN2)C1 ZINC000582431321 357147293 /nfs/dbraw/zinc/14/72/93/357147293.db2.gz AAPSTPIETPOSGU-SNVBAGLBSA-N 2 1 210.325 0.267 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392827707 357239862 /nfs/dbraw/zinc/23/98/62/357239862.db2.gz YKDYDIRRAHXDPJ-RYUDHWBXSA-N 2 1 239.363 0.738 20 0 BCADMP [NH3+][C@@H](CC(F)F)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392882625 357261025 /nfs/dbraw/zinc/26/10/25/357261025.db2.gz OHPBHJMKCUNBSI-VIFPVBQESA-N 2 1 247.289 0.347 20 0 BCADMP CCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)COC1 ZINC000393965426 357322114 /nfs/dbraw/zinc/32/21/14/357322114.db2.gz NQXVQDOOTAPFEQ-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)COC1 ZINC000393965426 357322117 /nfs/dbraw/zinc/32/21/17/357322117.db2.gz NQXVQDOOTAPFEQ-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000582540656 357338738 /nfs/dbraw/zinc/33/87/38/357338738.db2.gz OAMQTKKRBPIREK-ZIQFBCGOSA-N 2 1 237.347 0.465 20 0 BCADMP Nc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000582846496 357414953 /nfs/dbraw/zinc/41/49/53/357414953.db2.gz QPCOSORCDOLZFG-CYBMUJFWSA-N 2 1 235.331 0.818 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201913 357427998 /nfs/dbraw/zinc/42/79/98/357427998.db2.gz WJSMWTVIFCZLJR-QJPTWQEYSA-N 2 1 230.352 0.504 20 0 BCADMP O[C@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376870 357434540 /nfs/dbraw/zinc/43/45/40/357434540.db2.gz PWDISCAJOUOXQF-NDBYEHHHSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376870 357434543 /nfs/dbraw/zinc/43/45/43/357434543.db2.gz PWDISCAJOUOXQF-NDBYEHHHSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376865 357434628 /nfs/dbraw/zinc/43/46/28/357434628.db2.gz PWDISCAJOUOXQF-FVCCEPFGSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376865 357434630 /nfs/dbraw/zinc/43/46/30/357434630.db2.gz PWDISCAJOUOXQF-FVCCEPFGSA-N 2 1 224.348 0.831 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000583041591 357462131 /nfs/dbraw/zinc/46/21/31/357462131.db2.gz LADOKRSHBFNJMZ-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000583084339 357475016 /nfs/dbraw/zinc/47/50/16/357475016.db2.gz OZHXXXKLLFUEFD-SDDRHHMPSA-N 3 1 209.337 0.137 20 0 BCADMP CNC(=O)CCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000131808712 325185347 /nfs/dbraw/zinc/18/53/47/325185347.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000131808712 325185351 /nfs/dbraw/zinc/18/53/51/325185351.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188726945 357565831 /nfs/dbraw/zinc/56/58/31/357565831.db2.gz ZKOCBNMMTUKKDH-OUAUKWLOSA-N 2 1 243.326 0.144 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089426126 491113067 /nfs/dbraw/zinc/11/30/67/491113067.db2.gz XIDLQNMHUXSTNO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089426126 491113069 /nfs/dbraw/zinc/11/30/69/491113069.db2.gz XIDLQNMHUXSTNO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089426126 491113070 /nfs/dbraw/zinc/11/30/70/491113070.db2.gz XIDLQNMHUXSTNO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089426126 491113072 /nfs/dbraw/zinc/11/30/72/491113072.db2.gz XIDLQNMHUXSTNO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709616 357648176 /nfs/dbraw/zinc/64/81/76/357648176.db2.gz BTIBEWUQCNQDFT-FOGDFJRCSA-N 2 1 244.404 0.925 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000063466449 357659653 /nfs/dbraw/zinc/65/96/53/357659653.db2.gz NEIUSYBVYHLWGQ-JTQLQIEISA-N 2 1 215.341 0.393 20 0 BCADMP CN(C)c1ncc(CNC[C@H](O)C(F)F)n1C ZINC000234288670 357780304 /nfs/dbraw/zinc/78/03/04/357780304.db2.gz CTLKUCYWKUULOM-QMMMGPOBSA-N 2 1 248.277 0.202 20 0 BCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000583272492 357782089 /nfs/dbraw/zinc/78/20/89/357782089.db2.gz MSELOLDOEGQKDX-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000583272492 357782092 /nfs/dbraw/zinc/78/20/92/357782092.db2.gz MSELOLDOEGQKDX-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000583272492 357782094 /nfs/dbraw/zinc/78/20/94/357782094.db2.gz MSELOLDOEGQKDX-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000583272492 357782097 /nfs/dbraw/zinc/78/20/97/357782097.db2.gz MSELOLDOEGQKDX-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000192803906 357855929 /nfs/dbraw/zinc/85/59/29/357855929.db2.gz VCKSDFUPKOZMPV-GFCCVEGCSA-N 2 1 235.331 0.893 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168558082 134226490 /nfs/dbraw/zinc/22/64/90/134226490.db2.gz PHDPTLVYRZWAPU-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP CC[C@@H](O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398468849 357886458 /nfs/dbraw/zinc/88/64/58/357886458.db2.gz DLGYQUNWVLEZID-CHWSQXEVSA-N 2 1 244.379 0.582 20 0 BCADMP CC[C@@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398468849 357886463 /nfs/dbraw/zinc/88/64/63/357886463.db2.gz DLGYQUNWVLEZID-CHWSQXEVSA-N 2 1 244.379 0.582 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399307531 357902347 /nfs/dbraw/zinc/90/23/47/357902347.db2.gz ZVXNQLRDGCYVHI-NSHDSACASA-N 2 1 239.363 0.442 20 0 BCADMP [NH3+]Cc1noc([C@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000583751934 357933851 /nfs/dbraw/zinc/93/38/51/357933851.db2.gz HKVMTWHLHXVKFP-CYBMUJFWSA-N 2 1 244.298 0.808 20 0 BCADMP COC[C@](C)(CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000639957652 357982141 /nfs/dbraw/zinc/98/21/41/357982141.db2.gz RIMIGPXGTWWCEI-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219941670 358010712 /nfs/dbraw/zinc/01/07/12/358010712.db2.gz LMKMHXWCPXBZFL-IUCAKERBSA-N 2 1 213.325 0.193 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH2+]C ZINC000220010613 358024616 /nfs/dbraw/zinc/02/46/16/358024616.db2.gz HGLDKOLJBPSJOQ-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000037476898 358071272 /nfs/dbraw/zinc/07/12/72/358071272.db2.gz XMQGNXAFUIUCBG-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037643511 358084541 /nfs/dbraw/zinc/08/45/41/358084541.db2.gz CYFGOKGRGHEJEJ-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000037643486 358084971 /nfs/dbraw/zinc/08/49/71/358084971.db2.gz YADWAXDIUCYABZ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810398 134250715 /nfs/dbraw/zinc/25/07/15/134250715.db2.gz MBDZZULCUKOODP-DCAQKATOSA-N 2 1 225.336 0.467 20 0 BCADMP NC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000036754302 181294959 /nfs/dbraw/zinc/29/49/59/181294959.db2.gz MNWIPAVPOHHCNB-UHFFFAOYSA-N 2 1 233.315 0.709 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1cncn1 ZINC000583874756 358093718 /nfs/dbraw/zinc/09/37/18/358093718.db2.gz IAFYDLJCIGTLJL-OUAUKWLOSA-N 2 1 223.324 0.254 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CC)C1 ZINC000640035044 358127707 /nfs/dbraw/zinc/12/77/07/358127707.db2.gz FRUOYVSDDPOEJM-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CC)C1 ZINC000640035044 358127711 /nfs/dbraw/zinc/12/77/11/358127711.db2.gz FRUOYVSDDPOEJM-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640035044 358127714 /nfs/dbraw/zinc/12/77/14/358127714.db2.gz FRUOYVSDDPOEJM-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(CC)C1 ZINC000640035044 358127718 /nfs/dbraw/zinc/12/77/18/358127718.db2.gz FRUOYVSDDPOEJM-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOC)C1 ZINC000040601617 358243319 /nfs/dbraw/zinc/24/33/19/358243319.db2.gz QSLHTWOJBKYTIH-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000040624353 358244012 /nfs/dbraw/zinc/24/40/12/358244012.db2.gz LGTDYAXNNGUPSE-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000040624384 358244566 /nfs/dbraw/zinc/24/45/66/358244566.db2.gz AGWAACZGTXWJKZ-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP NC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342138403 181296778 /nfs/dbraw/zinc/29/67/78/181296778.db2.gz NGXBSGRXWJTVDZ-UHFFFAOYSA-N 2 1 233.315 0.757 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000655447741 491129162 /nfs/dbraw/zinc/12/91/62/491129162.db2.gz DZHNXYPKWMTPKJ-RYUDHWBXSA-N 2 1 241.379 0.688 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000655447740 491129166 /nfs/dbraw/zinc/12/91/66/491129166.db2.gz DZHNXYPKWMTPKJ-NWDGAFQWSA-N 2 1 241.379 0.688 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226875015 358346647 /nfs/dbraw/zinc/34/66/47/358346647.db2.gz XBRAAYKMEQSXBP-YNEHKIRRSA-N 2 1 244.379 0.845 20 0 BCADMP C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043427993 358375524 /nfs/dbraw/zinc/37/55/24/358375524.db2.gz PFQVVSKRPSYPQJ-QWHCGFSZSA-N 2 1 239.363 0.145 20 0 BCADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000219112304 134274544 /nfs/dbraw/zinc/27/45/44/134274544.db2.gz UPZXAUQVAHOLQQ-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219112304 134274545 /nfs/dbraw/zinc/27/45/45/134274545.db2.gz UPZXAUQVAHOLQQ-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H](CNC(=O)CCCC[NH3+])[N@@H+](C)C1CC1 ZINC000227833475 358364709 /nfs/dbraw/zinc/36/47/09/358364709.db2.gz WAHBLHKTCXVMTN-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538969 358390590 /nfs/dbraw/zinc/39/05/90/358390590.db2.gz ORXBUXDQHXYJHM-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726849 358392548 /nfs/dbraw/zinc/39/25/48/358392548.db2.gz JDWJJYVBOWIYMG-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191435 358396412 /nfs/dbraw/zinc/39/64/12/358396412.db2.gz IZGICFNSEFDINJ-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP CO[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312651 358397594 /nfs/dbraw/zinc/39/75/94/358397594.db2.gz CYVDYUQFNDELQS-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948487 358412824 /nfs/dbraw/zinc/41/28/24/358412824.db2.gz BIHCHFYVRFRIFT-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693855 358415930 /nfs/dbraw/zinc/41/59/30/358415930.db2.gz OZNJUVRWEIYGGU-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000167196228 358653008 /nfs/dbraw/zinc/65/30/08/358653008.db2.gz MBTIKOZIVUQAAG-RKDXNWHRSA-N 2 1 201.314 0.180 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000175671810 134286932 /nfs/dbraw/zinc/28/69/32/134286932.db2.gz KULYOJINRMHFOF-LBPRGKRZSA-N 2 1 230.352 0.533 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000175671810 134286933 /nfs/dbraw/zinc/28/69/33/134286933.db2.gz KULYOJINRMHFOF-LBPRGKRZSA-N 2 1 230.352 0.533 20 0 BCADMP CCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919344 358767522 /nfs/dbraw/zinc/76/75/22/358767522.db2.gz LWRRLTXNGFYKQW-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249227 358722504 /nfs/dbraw/zinc/72/25/04/358722504.db2.gz XITBRBMJXPWHJO-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249227 358722507 /nfs/dbraw/zinc/72/25/07/358722507.db2.gz XITBRBMJXPWHJO-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249234 358722514 /nfs/dbraw/zinc/72/25/14/358722514.db2.gz BSGMAVHROQMZIH-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249234 358722517 /nfs/dbraw/zinc/72/25/17/358722517.db2.gz BSGMAVHROQMZIH-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132875291 358737894 /nfs/dbraw/zinc/73/78/94/358737894.db2.gz IAZHUFAFLOFHEJ-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000578244454 366469396 /nfs/dbraw/zinc/46/93/96/366469396.db2.gz PCQZJTJQQATRBW-ZETCQYMHSA-N 2 1 235.278 0.227 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCCO ZINC000134725154 358804284 /nfs/dbraw/zinc/80/42/84/358804284.db2.gz HJWWAFUBFJRFOT-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C(CC)(CC)C[NH3+] ZINC000054128959 358853964 /nfs/dbraw/zinc/85/39/64/358853964.db2.gz WITNOLQGXMYRAC-UHFFFAOYSA-N 2 1 229.368 0.819 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC1CCOCC1 ZINC000086435791 358976636 /nfs/dbraw/zinc/97/66/36/358976636.db2.gz CCRQBPBNOIJRPT-UHFFFAOYSA-N 2 1 216.325 0.320 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380735 358933133 /nfs/dbraw/zinc/93/31/33/358933133.db2.gz SQLUEBVYZUPNIM-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000177795621 134299874 /nfs/dbraw/zinc/29/98/74/134299874.db2.gz QMEJENPQXQSCJS-GFCCVEGCSA-N 2 1 212.337 0.929 20 0 BCADMP OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000177795621 134299875 /nfs/dbraw/zinc/29/98/75/134299875.db2.gz QMEJENPQXQSCJS-GFCCVEGCSA-N 2 1 212.337 0.929 20 0 BCADMP CCCNC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580430 359149171 /nfs/dbraw/zinc/14/91/71/359149171.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000450913169 202307652 /nfs/dbraw/zinc/30/76/52/202307652.db2.gz YSJWROMQTKQAEW-CYBMUJFWSA-N 2 1 242.363 0.820 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000450913169 202307655 /nfs/dbraw/zinc/30/76/55/202307655.db2.gz YSJWROMQTKQAEW-CYBMUJFWSA-N 2 1 242.363 0.820 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578364846 366539886 /nfs/dbraw/zinc/53/98/86/366539886.db2.gz KUZCANZJRPBDQN-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000578442126 366569423 /nfs/dbraw/zinc/56/94/23/366569423.db2.gz YZTNCGWGKMDFLJ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000578518516 366588376 /nfs/dbraw/zinc/58/83/76/366588376.db2.gz OCOGNYCFQGKWKC-AGIUHOORSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000578617009 366608871 /nfs/dbraw/zinc/60/88/71/366608871.db2.gz HYOOUIUCQDUYOS-AGIUHOORSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091207 359936992 /nfs/dbraw/zinc/93/69/92/359936992.db2.gz ZCHJCGYUQQDBTN-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091208 359937534 /nfs/dbraw/zinc/93/75/34/359937534.db2.gz ZCHJCGYUQQDBTN-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCCC1 ZINC000578783806 366647792 /nfs/dbraw/zinc/64/77/92/366647792.db2.gz MOUQAEOSUXDWOM-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCCC1 ZINC000578783807 366647845 /nfs/dbraw/zinc/64/78/45/366647845.db2.gz MOUQAEOSUXDWOM-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP O=C(NCCN1CCC1)[C@@H]1CCc2[nH]cnc2C1 ZINC000612844587 360107490 /nfs/dbraw/zinc/10/74/90/360107490.db2.gz UEQMSPKDKFUXMN-SNVBAGLBSA-N 2 1 248.330 0.337 20 0 BCADMP O=C(NCCN1CCC1)[C@@H]1CCc2nc[nH]c2C1 ZINC000612844587 360107492 /nfs/dbraw/zinc/10/74/92/360107492.db2.gz UEQMSPKDKFUXMN-SNVBAGLBSA-N 2 1 248.330 0.337 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCOC2)CC1(C)C ZINC000623472946 360197043 /nfs/dbraw/zinc/19/70/43/360197043.db2.gz CGGIZKBNQPCTOX-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309458108 491148605 /nfs/dbraw/zinc/14/86/05/491148605.db2.gz NBTINQHPAKAHMJ-RWMBFGLXSA-N 3 1 223.364 0.622 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627236130 363726109 /nfs/dbraw/zinc/72/61/09/363726109.db2.gz JIRQDQUTBGARSC-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000626946080 360529019 /nfs/dbraw/zinc/52/90/19/360529019.db2.gz RDEJQQCQWNXTAH-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP Cc1cc(N[C@@H](CO)C[NH+](C)C)nc(C)[nH+]1 ZINC000309493690 491150198 /nfs/dbraw/zinc/15/01/98/491150198.db2.gz XUGYKULSQDOPIJ-SNVBAGLBSA-N 2 1 224.308 0.428 20 0 BCADMP COC(=O)CCCC[N@@H+]1CCC[C@@H]1CN ZINC000238327021 360875403 /nfs/dbraw/zinc/87/54/03/360875403.db2.gz GGGKJTVCXJECKV-SNVBAGLBSA-N 2 1 214.309 0.753 20 0 BCADMP COC(=O)CCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000238327021 360875410 /nfs/dbraw/zinc/87/54/10/360875410.db2.gz GGGKJTVCXJECKV-SNVBAGLBSA-N 2 1 214.309 0.753 20 0 BCADMP COC(=O)CCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000238327021 360875416 /nfs/dbraw/zinc/87/54/16/360875416.db2.gz GGGKJTVCXJECKV-SNVBAGLBSA-N 2 1 214.309 0.753 20 0 BCADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)n[nH]c1C ZINC000414838540 200769012 /nfs/dbraw/zinc/76/90/12/200769012.db2.gz LGVLESSSQNVORY-MRVPVSSYSA-N 2 1 210.325 0.972 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407434 361055941 /nfs/dbraw/zinc/05/59/41/361055941.db2.gz ACXDNYALSGTKEW-DJIHRAIXSA-N 2 1 223.364 0.809 20 0 BCADMP CCN1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398343 361048958 /nfs/dbraw/zinc/04/89/58/361048958.db2.gz RFNVFAONZYRNHH-UHFFFAOYSA-N 2 1 229.368 0.426 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000629408657 361059516 /nfs/dbraw/zinc/05/95/16/361059516.db2.gz YBUHJOWKOKIDAU-MRBYEJRBSA-N 2 1 223.364 0.952 20 0 BCADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cn[nH]c1 ZINC000629521431 361117798 /nfs/dbraw/zinc/11/77/98/361117798.db2.gz QAXHXECXUYXZDP-SECBINFHSA-N 2 1 224.308 0.568 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+]1C ZINC000629518888 361118466 /nfs/dbraw/zinc/11/84/66/361118466.db2.gz MOMQOJJWXBHRNB-YNEHKIRRSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+]1C ZINC000629518888 361118472 /nfs/dbraw/zinc/11/84/72/361118472.db2.gz MOMQOJJWXBHRNB-YNEHKIRRSA-N 2 1 241.379 0.437 20 0 BCADMP COC[C@]1(C)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629508322 361102392 /nfs/dbraw/zinc/10/23/92/361102392.db2.gz YUQPHUTZJUPUSW-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516082 361109576 /nfs/dbraw/zinc/10/95/76/361109576.db2.gz WZVOEYIJJUVGSA-NEPJUHHUSA-N 3 1 241.379 0.615 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000629516544 361114888 /nfs/dbraw/zinc/11/48/88/361114888.db2.gz JUOJRSAUIYVFKN-RYUDHWBXSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000629520882 361116528 /nfs/dbraw/zinc/11/65/28/361116528.db2.gz YQJDENBXVDVLJQ-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532430 361152977 /nfs/dbraw/zinc/15/29/77/361152977.db2.gz AOHXBFCWRAPGBI-SRVKXCTJSA-N 2 1 227.352 0.047 20 0 BCADMP C[NH+](C)[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000574998233 361223697 /nfs/dbraw/zinc/22/36/97/361223697.db2.gz ORPMNRBIKVSJMA-VIFPVBQESA-N 2 1 249.305 0.427 20 0 BCADMP C[N@H+](CCNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000575000508 361282874 /nfs/dbraw/zinc/28/28/74/361282874.db2.gz FGQDACHQXRNRMP-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000575000508 361282879 /nfs/dbraw/zinc/28/28/79/361282879.db2.gz FGQDACHQXRNRMP-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(N)=O ZINC000578997840 366691218 /nfs/dbraw/zinc/69/12/18/366691218.db2.gz KVAKEDQXUZCYRO-UHFFFAOYSA-N 2 1 224.308 0.437 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000579004872 366693321 /nfs/dbraw/zinc/69/33/21/366693321.db2.gz SWOCIGTTZQJVCX-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267811 /nfs/dbraw/zinc/26/78/11/361267811.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 2 1 210.321 0.537 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267816 /nfs/dbraw/zinc/26/78/16/361267816.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 2 1 210.321 0.537 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267821 /nfs/dbraw/zinc/26/78/21/361267821.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 2 1 210.321 0.537 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107040 366712220 /nfs/dbraw/zinc/71/22/20/366712220.db2.gz AQHIGPCPSQPERB-CABZTGNLSA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000147674651 181328403 /nfs/dbraw/zinc/32/84/03/181328403.db2.gz ZECYPNUATXVLCZ-MNOVXSKESA-N 2 1 237.347 0.611 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413214 201013391 /nfs/dbraw/zinc/01/33/91/201013391.db2.gz OLXDFAMDUHJNFW-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000067571213 370685991 /nfs/dbraw/zinc/68/59/91/370685991.db2.gz OVZHGYMIQMXLAN-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]([NH3+])CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000622044480 370677005 /nfs/dbraw/zinc/67/70/05/370677005.db2.gz HPPGHLYDAIBBNI-MVWJERBFSA-N 2 1 227.352 0.080 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000622044479 370677073 /nfs/dbraw/zinc/67/70/73/370677073.db2.gz HPPGHLYDAIBBNI-DLOVCJGASA-N 2 1 227.352 0.080 20 0 BCADMP COC[C@H](C)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238780 366741759 /nfs/dbraw/zinc/74/17/59/366741759.db2.gz WWVDPJYENQNJQE-GHMZBOCLSA-N 2 1 218.316 0.902 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000428904085 201048216 /nfs/dbraw/zinc/04/82/16/201048216.db2.gz YHELKBLMYWQECO-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429112247 201068674 /nfs/dbraw/zinc/06/86/74/201068674.db2.gz ILDPTWLGRTYAMZ-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000429156110 201073094 /nfs/dbraw/zinc/07/30/94/201073094.db2.gz DSVIABNYWCJSCU-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429062000 201064401 /nfs/dbraw/zinc/06/44/01/201064401.db2.gz DAGPVJPBZVJWPN-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429085196 201067011 /nfs/dbraw/zinc/06/70/11/201067011.db2.gz ZITOYQXAVRHQRX-PHIMTYICSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000429289532 201095964 /nfs/dbraw/zinc/09/59/64/201095964.db2.gz BZEWFNDIAVBHGW-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629537477 361401253 /nfs/dbraw/zinc/40/12/53/361401253.db2.gz JMNVULKAWTYSAS-QWRGUYRKSA-N 3 1 215.341 0.082 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429324018 201102264 /nfs/dbraw/zinc/10/22/64/201102264.db2.gz YYJCXJMKNVZBQM-AXFHLTTASA-N 2 1 227.352 0.665 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556875 201116629 /nfs/dbraw/zinc/11/66/29/201116629.db2.gz ZEWMPQSUWCNWRK-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808870 201132680 /nfs/dbraw/zinc/13/26/80/201132680.db2.gz NHHTVXKWICQNAL-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808870 201132682 /nfs/dbraw/zinc/13/26/82/201132682.db2.gz NHHTVXKWICQNAL-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808870 201132685 /nfs/dbraw/zinc/13/26/85/201132685.db2.gz NHHTVXKWICQNAL-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629543103 361422273 /nfs/dbraw/zinc/42/22/73/361422273.db2.gz STODSWWNRWPIRV-TUAOUCFPSA-N 2 1 237.351 0.787 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556127 361448766 /nfs/dbraw/zinc/44/87/66/361448766.db2.gz KMLIQQBINDZTAG-AVGNSLFASA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556127 361448771 /nfs/dbraw/zinc/44/87/71/361448771.db2.gz KMLIQQBINDZTAG-AVGNSLFASA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000579474828 366822468 /nfs/dbraw/zinc/82/24/68/366822468.db2.gz QHFJXXLKIIYDQK-KXUCPTDWSA-N 2 1 243.376 0.153 20 0 BCADMP CC[C@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629555929 361449025 /nfs/dbraw/zinc/44/90/25/361449025.db2.gz JNRCVCYLOYHUKT-AVGNSLFASA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629547396 361430661 /nfs/dbraw/zinc/43/06/61/361430661.db2.gz SLBTZNDENFJXAG-JHJVBQTASA-N 2 1 241.379 0.173 20 0 BCADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000629548816 361434511 /nfs/dbraw/zinc/43/45/11/361434511.db2.gz RACPIJNIFXYNIB-AXFHLTTASA-N 2 1 200.326 0.997 20 0 BCADMP C1C[C@@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629553613 361438417 /nfs/dbraw/zinc/43/84/17/361438417.db2.gz BMVSODYCIXCVSY-IRCOFANPSA-N 2 1 209.337 0.326 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CCOCC1 ZINC000629549992 361442517 /nfs/dbraw/zinc/44/25/17/361442517.db2.gz UYKASSIZICPIDO-NEPJUHHUSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551155 361443620 /nfs/dbraw/zinc/44/36/20/361443620.db2.gz RRVPKEYWBUVIMU-RVMXOQNASA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551155 361443626 /nfs/dbraw/zinc/44/36/26/361443626.db2.gz RRVPKEYWBUVIMU-RVMXOQNASA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551966 361444673 /nfs/dbraw/zinc/44/46/73/361444673.db2.gz YQJDENBXVDVLJQ-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947994 201158543 /nfs/dbraw/zinc/15/85/43/201158543.db2.gz GRHZXVMTSZZXDB-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947994 201158546 /nfs/dbraw/zinc/15/85/46/201158546.db2.gz GRHZXVMTSZZXDB-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)CC(=O)NC(C)(C)C ZINC000629565322 361459621 /nfs/dbraw/zinc/45/96/21/361459621.db2.gz FOGPWTWEIJIIHD-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000629565322 361459630 /nfs/dbraw/zinc/45/96/30/361459630.db2.gz FOGPWTWEIJIIHD-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)ncn1 ZINC000629572505 361463714 /nfs/dbraw/zinc/46/37/14/361463714.db2.gz VDCONCFKTXXLSS-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)ncn1 ZINC000629572505 361463716 /nfs/dbraw/zinc/46/37/16/361463716.db2.gz VDCONCFKTXXLSS-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000629572400 361463934 /nfs/dbraw/zinc/46/39/34/361463934.db2.gz RTSYVEXJZASIES-MNOVXSKESA-N 2 1 200.326 0.810 20 0 BCADMP C[N@@H+](CCCc1ccncc1)CCOCC[NH3+] ZINC000629580476 361466417 /nfs/dbraw/zinc/46/64/17/361466417.db2.gz DEALNCTVPGDVQH-UHFFFAOYSA-N 2 1 237.347 0.921 20 0 BCADMP Cc1cc(C[N@H+](C)CCOCC[NH3+])ncn1 ZINC000629581060 361471664 /nfs/dbraw/zinc/47/16/64/361471664.db2.gz LPTSNQXBPMFKFW-UHFFFAOYSA-N 2 1 224.308 0.192 20 0 BCADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ncn1 ZINC000629581060 361471666 /nfs/dbraw/zinc/47/16/66/361471666.db2.gz LPTSNQXBPMFKFW-UHFFFAOYSA-N 2 1 224.308 0.192 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000629581576 361472160 /nfs/dbraw/zinc/47/21/60/361472160.db2.gz CZQGWTVVRARIQL-TUAOUCFPSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430940949 201160297 /nfs/dbraw/zinc/16/02/97/201160297.db2.gz SLKUAVDOPYDLLX-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430940949 201160301 /nfs/dbraw/zinc/16/03/01/201160301.db2.gz SLKUAVDOPYDLLX-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)OC ZINC000629595336 361481821 /nfs/dbraw/zinc/48/18/21/361481821.db2.gz QBTUKQGGKYPMQL-RWMBFGLXSA-N 2 1 242.363 0.579 20 0 BCADMP CO[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000629615691 361505202 /nfs/dbraw/zinc/50/52/02/361505202.db2.gz NTPYHHBAMCJULS-YUSALJHKSA-N 2 1 228.336 0.209 20 0 BCADMP CO[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629615691 361505205 /nfs/dbraw/zinc/50/52/05/361505205.db2.gz NTPYHHBAMCJULS-YUSALJHKSA-N 2 1 228.336 0.209 20 0 BCADMP CCOC1CC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309956857 491158827 /nfs/dbraw/zinc/15/88/27/491158827.db2.gz IREBULJTTNPAII-UNTZMWQOSA-N 2 1 224.348 0.953 20 0 BCADMP COC1(C[N@@H+](C)C[C@@H](O)C[NH3+])CCCC1 ZINC000629648076 361539188 /nfs/dbraw/zinc/53/91/88/361539188.db2.gz GPNAYAIMTOSEKI-JTQLQIEISA-N 2 1 216.325 0.197 20 0 BCADMP C[C@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660311 361565306 /nfs/dbraw/zinc/56/53/06/361565306.db2.gz RJRRLUUTVOSUDB-JQWIXIFHSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629672226 361614584 /nfs/dbraw/zinc/61/45/84/361614584.db2.gz OQNZSFJGBMZTPL-FIQHERPVSA-N 2 1 211.353 0.715 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000434682309 201233663 /nfs/dbraw/zinc/23/36/63/201233663.db2.gz VUJQZIQAQDETFM-CMPLNLGQSA-N 2 1 239.363 0.809 20 0 BCADMP CCCNC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435627051 201279551 /nfs/dbraw/zinc/27/95/51/201279551.db2.gz PZBMNFWZTRQKBH-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435627051 201279555 /nfs/dbraw/zinc/27/95/55/201279555.db2.gz PZBMNFWZTRQKBH-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000435872720 201292156 /nfs/dbraw/zinc/29/21/56/201292156.db2.gz QGUMIALFXSLODZ-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000435879893 201292577 /nfs/dbraw/zinc/29/25/77/201292577.db2.gz GCFXFLPIMPYKHZ-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCCN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000435879893 201292580 /nfs/dbraw/zinc/29/25/80/201292580.db2.gz GCFXFLPIMPYKHZ-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000435875423 201293731 /nfs/dbraw/zinc/29/37/31/201293731.db2.gz CMKBOGBPSFPWHP-GFCCVEGCSA-N 2 1 225.336 0.198 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435873172 201293748 /nfs/dbraw/zinc/29/37/48/201293748.db2.gz UDSNDKBOQOIIJO-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435873172 201293752 /nfs/dbraw/zinc/29/37/52/201293752.db2.gz UDSNDKBOQOIIJO-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000083726109 491162710 /nfs/dbraw/zinc/16/27/10/491162710.db2.gz ABCOWNVQGVVFHQ-SECBINFHSA-N 2 1 200.326 0.830 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000438087786 201388669 /nfs/dbraw/zinc/38/86/69/201388669.db2.gz MRMKURMZYKKBMS-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364216869 181357512 /nfs/dbraw/zinc/35/75/12/181357512.db2.gz TYRGVLBAKVRGMJ-VIFPVBQESA-N 2 1 249.305 0.476 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604003 364327511 /nfs/dbraw/zinc/32/75/11/364327511.db2.gz NSHPMGLZVRBEFC-NSHDSACASA-N 2 1 246.318 0.583 20 0 BCADMP COCC[NH2+]CCc1cn(-c2cc[nH+]cc2)nn1 ZINC000630587333 364294663 /nfs/dbraw/zinc/29/46/63/364294663.db2.gz YTMJDNFBHHIZBS-UHFFFAOYSA-N 2 1 247.302 0.441 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398972657 364401517 /nfs/dbraw/zinc/40/15/17/364401517.db2.gz XELDRAKQWDYBJB-MXWKQRLJSA-N 2 1 200.326 0.999 20 0 BCADMP CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398981119 364453818 /nfs/dbraw/zinc/45/38/18/364453818.db2.gz FBESHFFWMXHHKH-ZWNOBZJWSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000615309113 364683871 /nfs/dbraw/zinc/68/38/71/364683871.db2.gz QJQISWSHBAUOTO-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+]1CCN(C[C@@H](O)C[N@H+]2CCC2(C)C)CC1 ZINC000573403949 364824630 /nfs/dbraw/zinc/82/46/30/364824630.db2.gz WAEGYSXLVGLJLD-GFCCVEGCSA-N 2 1 241.379 0.079 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573494182 364846775 /nfs/dbraw/zinc/84/67/75/364846775.db2.gz ONHCINOXUSGXGS-SDDRHHMPSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011765 541419270 /nfs/dbraw/zinc/41/92/70/541419270.db2.gz XZSIQTYFCCVSLF-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011765 541419275 /nfs/dbraw/zinc/41/92/75/541419275.db2.gz XZSIQTYFCCVSLF-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000367966057 181377588 /nfs/dbraw/zinc/37/75/88/181377588.db2.gz XDZHFOMYGNAERF-RYUDHWBXSA-N 2 1 239.363 0.716 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)C1CCCCC1 ZINC000036732248 181379839 /nfs/dbraw/zinc/37/98/39/181379839.db2.gz VLKJXVWYLMLFIN-UHFFFAOYSA-N 2 1 200.326 0.962 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000574166287 365001565 /nfs/dbraw/zinc/00/15/65/365001565.db2.gz WNBRFNUAVLPLCR-FRRDWIJNSA-N 2 1 242.363 0.864 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000574166287 365001570 /nfs/dbraw/zinc/00/15/70/365001570.db2.gz WNBRFNUAVLPLCR-FRRDWIJNSA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+](C)C ZINC000162174076 541446760 /nfs/dbraw/zinc/44/67/60/541446760.db2.gz PECIJZIQCARMPP-ZYHUDNBSSA-N 2 1 241.379 0.926 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168986033 365048366 /nfs/dbraw/zinc/04/83/66/365048366.db2.gz LOPRVBGGLHHJJQ-ZJUUUORDSA-N 2 1 214.309 0.751 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000574400440 365054207 /nfs/dbraw/zinc/05/42/07/365054207.db2.gz OQVGKWMQZHFVFF-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000574400440 365054212 /nfs/dbraw/zinc/05/42/12/365054212.db2.gz OQVGKWMQZHFVFF-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000574414694 365058191 /nfs/dbraw/zinc/05/81/91/365058191.db2.gz ZVDMGXURVHDTGX-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000574414694 365058194 /nfs/dbraw/zinc/05/81/94/365058194.db2.gz ZVDMGXURVHDTGX-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP CCOC1CC([N@H+](C)C[C@H](O)CN(C)CC)C1 ZINC000574581352 365095316 /nfs/dbraw/zinc/09/53/16/365095316.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@@H+](C)C[C@H](O)CN(C)CC)C1 ZINC000574581352 365095321 /nfs/dbraw/zinc/09/53/21/365095321.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@H+](C)C[C@H](O)C[NH+](C)CC)C1 ZINC000574581352 365095325 /nfs/dbraw/zinc/09/53/25/365095325.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@@H+](C)C[C@H](O)C[NH+](C)CC)C1 ZINC000574581352 365095332 /nfs/dbraw/zinc/09/53/32/365095332.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([NH+](C)C[C@H](O)C[N@H+](C)CC)C1 ZINC000574581352 365095339 /nfs/dbraw/zinc/09/53/39/365095339.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([NH+](C)C[C@H](O)C[N@@H+](C)CC)C1 ZINC000574581352 365095343 /nfs/dbraw/zinc/09/53/43/365095343.db2.gz IHJOXBIQSGBZMA-OTTFEQOBSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)CC1(C)C ZINC000574581709 365096410 /nfs/dbraw/zinc/09/64/10/365096410.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](C)CC1(C)C ZINC000574581709 365096416 /nfs/dbraw/zinc/09/64/16/365096416.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)CC1(C)C ZINC000574581709 365096424 /nfs/dbraw/zinc/09/64/24/365096424.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000574699909 365125057 /nfs/dbraw/zinc/12/50/57/365125057.db2.gz MQXVLXHTJKRCLF-QMMMGPOBSA-N 2 1 237.294 0.604 20 0 BCADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000574876540 365156753 /nfs/dbraw/zinc/15/67/53/365156753.db2.gz ASJKYMFFXDADNC-VXGBXAGGSA-N 2 1 232.368 0.296 20 0 BCADMP [NH3+]C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)C1CCCC1 ZINC000333579065 181420877 /nfs/dbraw/zinc/42/08/77/181420877.db2.gz NLQVBORDZQATQM-NXEZZACHSA-N 2 1 243.376 0.283 20 0 BCADMP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)co1 ZINC000444177246 193040102 /nfs/dbraw/zinc/04/01/02/193040102.db2.gz UFHXEUZTTKSKRP-SNVBAGLBSA-N 2 1 249.314 0.705 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444191697 193041471 /nfs/dbraw/zinc/04/14/71/193041471.db2.gz YFVAENFRQCPMNA-VXGBXAGGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000444191664 193041681 /nfs/dbraw/zinc/04/16/81/193041681.db2.gz XVFYDXGVKXAUFX-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444193458 193041721 /nfs/dbraw/zinc/04/17/21/193041721.db2.gz RELDJENSIIENGC-WZRBSPASSA-N 2 1 237.347 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444193455 193041880 /nfs/dbraw/zinc/04/18/80/193041880.db2.gz RELDJENSIIENGC-MDZLAQPJSA-N 2 1 237.347 0.196 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444274058 193043318 /nfs/dbraw/zinc/04/33/18/193043318.db2.gz WYRNVDRZXWGVRK-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444269720 193044173 /nfs/dbraw/zinc/04/41/73/193044173.db2.gz MAGMWZFKCRNAIG-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)CCC(N)=O ZINC000575326860 365290518 /nfs/dbraw/zinc/29/05/18/365290518.db2.gz IPENXERJCPXUCJ-UHFFFAOYSA-N 2 1 224.308 0.160 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC(N)=O ZINC000575326860 365290523 /nfs/dbraw/zinc/29/05/23/365290523.db2.gz IPENXERJCPXUCJ-UHFFFAOYSA-N 2 1 224.308 0.160 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC(N)=O ZINC000575326860 365290528 /nfs/dbraw/zinc/29/05/28/365290528.db2.gz IPENXERJCPXUCJ-UHFFFAOYSA-N 2 1 224.308 0.160 20 0 BCADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCC[NH+](C)C ZINC000575759561 365356762 /nfs/dbraw/zinc/35/67/62/365356762.db2.gz VFQVBPZWPWNKTM-SNVBAGLBSA-N 2 1 238.335 0.656 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575917322 365412295 /nfs/dbraw/zinc/41/22/95/365412295.db2.gz UYPWFQBEWVJSCJ-GARJFASQSA-N 2 1 232.393 0.783 20 0 BCADMP CNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156091933 541485590 /nfs/dbraw/zinc/48/55/90/541485590.db2.gz DNJMYYOWMSOZPY-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP COC[C@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000564844324 325815552 /nfs/dbraw/zinc/81/55/52/325815552.db2.gz HLGAASZCYQVUJD-LLVKDONJSA-N 2 1 227.308 0.179 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000579701416 366983095 /nfs/dbraw/zinc/98/30/95/366983095.db2.gz ZWOHCTQXNPRPIG-GFCCVEGCSA-N 2 1 229.368 0.296 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCCC[NH3+] ZINC000579710724 366988257 /nfs/dbraw/zinc/98/82/57/366988257.db2.gz PIGBYUVTCUNNQN-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC000579712873 366989570 /nfs/dbraw/zinc/98/95/70/366989570.db2.gz HIKDAIUKFJKXII-LLVKDONJSA-N 2 1 238.335 0.852 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC000579712873 366989573 /nfs/dbraw/zinc/98/95/73/366989573.db2.gz HIKDAIUKFJKXII-LLVKDONJSA-N 2 1 238.335 0.852 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000579838409 367040386 /nfs/dbraw/zinc/04/03/86/367040386.db2.gz UWDMWCXBSKPXEB-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000579859241 367056427 /nfs/dbraw/zinc/05/64/27/367056427.db2.gz LQGMPVRQMFQSAF-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000580900026 367201299 /nfs/dbraw/zinc/20/12/99/367201299.db2.gz DCTNBSIKKAZJRB-SSDOTTSWSA-N 2 1 237.294 0.460 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000581012599 367235626 /nfs/dbraw/zinc/23/56/26/367235626.db2.gz ITKRTJJFOVWTLS-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000581304666 367333269 /nfs/dbraw/zinc/33/32/69/367333269.db2.gz WJSMWTVIFCZLJR-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCSCC1)C1CC1 ZINC000381051802 367343380 /nfs/dbraw/zinc/34/33/80/367343380.db2.gz IESZFVSMONKPTN-LBPRGKRZSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCSCC1)C1CC1 ZINC000381051802 367343389 /nfs/dbraw/zinc/34/33/89/367343389.db2.gz IESZFVSMONKPTN-LBPRGKRZSA-N 2 1 244.404 0.927 20 0 BCADMP CC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000380971545 367326695 /nfs/dbraw/zinc/32/66/95/367326695.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 1 232.368 0.656 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000381317797 367380107 /nfs/dbraw/zinc/38/01/07/367380107.db2.gz NQSLFPYWRNOUCG-DTWKUNHWSA-N 2 1 231.365 0.283 20 0 BCADMP C[C@H]1C[N@H+](CCN(C)[C@H]2CC[NH2+]C2)CCO1 ZINC000581370223 367402153 /nfs/dbraw/zinc/40/21/53/367402153.db2.gz NOEYIPATIQBRJY-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@@H+](CCN(C)[C@H]2CC[NH2+]C2)CCO1 ZINC000581370223 367402159 /nfs/dbraw/zinc/40/21/59/367402159.db2.gz NOEYIPATIQBRJY-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000382843512 367563270 /nfs/dbraw/zinc/56/32/70/367563270.db2.gz XTKWUJGTMDXBIP-XKGSQUFQSA-N 2 1 212.337 0.687 20 0 BCADMP COC(C)(C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000382229280 367499517 /nfs/dbraw/zinc/49/95/17/367499517.db2.gz CJPYISDKRTVCMW-UHFFFAOYSA-N 2 1 229.368 0.248 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000382976437 367579079 /nfs/dbraw/zinc/57/90/79/367579079.db2.gz SPOYODNJHOZELX-NHCYSSNCSA-N 2 1 239.363 0.726 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000383490180 367629284 /nfs/dbraw/zinc/62/92/84/367629284.db2.gz AROHQUKLIDPFTK-DGCLKSJQSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000383490180 367629286 /nfs/dbraw/zinc/62/92/86/367629286.db2.gz AROHQUKLIDPFTK-DGCLKSJQSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000383679959 367648897 /nfs/dbraw/zinc/64/88/97/367648897.db2.gz QMTLHARXRNLIQU-WCQYABFASA-N 2 1 244.379 0.704 20 0 BCADMP COC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000383733885 367649901 /nfs/dbraw/zinc/64/99/01/367649901.db2.gz HKNXNRVWHRQVDT-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP COC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000383733885 367649904 /nfs/dbraw/zinc/64/99/04/367649904.db2.gz HKNXNRVWHRQVDT-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797467 367734553 /nfs/dbraw/zinc/73/45/53/367734553.db2.gz AUOCLZPORVFSPF-OUAUKWLOSA-N 2 1 223.320 0.043 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC(C)(C)CO)C1CC1 ZINC000385898515 367878475 /nfs/dbraw/zinc/87/84/75/367878475.db2.gz OHSLSCGUWHPOQJ-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(C)(C)CO)C1CC1 ZINC000385898515 367878481 /nfs/dbraw/zinc/87/84/81/367878481.db2.gz OHSLSCGUWHPOQJ-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP CN(C(=O)CCCC[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566193868 326009873 /nfs/dbraw/zinc/00/98/73/326009873.db2.gz OBYVCLTZLFMZIM-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386094813 367911508 /nfs/dbraw/zinc/91/15/08/367911508.db2.gz ISMGDEBDQAKIJV-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620890 368003826 /nfs/dbraw/zinc/00/38/26/368003826.db2.gz YEFAKYWGYIPQPM-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386482649 367980070 /nfs/dbraw/zinc/98/00/70/367980070.db2.gz SIHODQYCDHWVOF-AGIUHOORSA-N 2 1 244.379 0.894 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000386488882 367980795 /nfs/dbraw/zinc/98/07/95/367980795.db2.gz UAMDHZFFVCJUFF-NSHDSACASA-N 2 1 224.352 0.656 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000386935714 368036549 /nfs/dbraw/zinc/03/65/49/368036549.db2.gz SNIDWNKOEMJOCO-SDDRHHMPSA-N 2 1 230.352 0.192 20 0 BCADMP C[NH+](C)CC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000615505673 368081587 /nfs/dbraw/zinc/08/15/87/368081587.db2.gz SQXHXIQRKCYLRN-LBPRGKRZSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457075796 203004611 /nfs/dbraw/zinc/00/46/11/203004611.db2.gz NEOLBYZPQCUTIT-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457075796 203004614 /nfs/dbraw/zinc/00/46/14/203004614.db2.gz NEOLBYZPQCUTIT-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457075796 203004617 /nfs/dbraw/zinc/00/46/17/203004617.db2.gz NEOLBYZPQCUTIT-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)[C@H](CNC(N)=[NH2+])Cc1ccccc1 ZINC000073757059 368814686 /nfs/dbraw/zinc/81/46/86/368814686.db2.gz AGDREYCFPJLICI-NSHDSACASA-N 2 1 220.320 0.642 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000631828996 369003816 /nfs/dbraw/zinc/00/38/16/369003816.db2.gz DGKCEUVWELMZTJ-WUHRBBMRSA-N 2 1 242.363 0.707 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1nccnc1C ZINC000631829926 369006935 /nfs/dbraw/zinc/00/69/35/369006935.db2.gz DTNGKBZBYMPJCI-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1nccnc1C ZINC000631829926 369006940 /nfs/dbraw/zinc/00/69/40/369006940.db2.gz DTNGKBZBYMPJCI-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194022 369085139 /nfs/dbraw/zinc/08/51/39/369085139.db2.gz MRYAYLOMAVUPMM-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP C[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000618546838 369168882 /nfs/dbraw/zinc/16/88/82/369168882.db2.gz ILMZESCBKHPMKZ-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000567791326 326258922 /nfs/dbraw/zinc/25/89/22/326258922.db2.gz NUODOYWKTPFSLY-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000567791326 326258925 /nfs/dbraw/zinc/25/89/25/326258925.db2.gz NUODOYWKTPFSLY-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000259913048 370955245 /nfs/dbraw/zinc/95/52/45/370955245.db2.gz GODONDJBEMPMLO-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000619898152 369630813 /nfs/dbraw/zinc/63/08/13/369630813.db2.gz FBSTYSGTGDGQNZ-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000619898152 369630817 /nfs/dbraw/zinc/63/08/17/369630817.db2.gz FBSTYSGTGDGQNZ-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000619898152 369630819 /nfs/dbraw/zinc/63/08/19/369630819.db2.gz FBSTYSGTGDGQNZ-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](NC(=O)C1(N(C)C)CC1)c1nccn1C ZINC000620606974 369956010 /nfs/dbraw/zinc/95/60/10/369956010.db2.gz CJUXFRCESDQZHB-SECBINFHSA-N 2 1 236.319 0.692 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194120 370161278 /nfs/dbraw/zinc/16/12/78/370161278.db2.gz POINZBWRPOJIHR-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194120 370161282 /nfs/dbraw/zinc/16/12/82/370161282.db2.gz POINZBWRPOJIHR-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP c1snnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309568094 370230624 /nfs/dbraw/zinc/23/06/24/370230624.db2.gz LOSMCGQJIYHETM-AOOOYVTPSA-N 2 1 238.360 0.970 20 0 BCADMP c1snnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309568094 370230629 /nfs/dbraw/zinc/23/06/29/370230629.db2.gz LOSMCGQJIYHETM-AOOOYVTPSA-N 2 1 238.360 0.970 20 0 BCADMP C[NH+](C[C@H](O)CNCC[N@H+](C)C1CC1)C1CC1 ZINC000310530108 370350817 /nfs/dbraw/zinc/35/08/17/370350817.db2.gz NVWPDPUTHVMRDZ-CYBMUJFWSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](CCNC[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000310530108 370350819 /nfs/dbraw/zinc/35/08/19/370350819.db2.gz NVWPDPUTHVMRDZ-CYBMUJFWSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](CCNC[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000310530108 370350823 /nfs/dbraw/zinc/35/08/23/370350823.db2.gz NVWPDPUTHVMRDZ-CYBMUJFWSA-N 2 1 241.379 0.125 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310364554 370340109 /nfs/dbraw/zinc/34/01/09/370340109.db2.gz LNUKMLTWUXMPBR-IUCAKERBSA-N 2 1 249.305 0.427 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784519 370538315 /nfs/dbraw/zinc/53/83/15/370538315.db2.gz QCKVXAZXQOHHMJ-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784519 370538317 /nfs/dbraw/zinc/53/83/17/370538317.db2.gz QCKVXAZXQOHHMJ-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777484 370527581 /nfs/dbraw/zinc/52/75/81/370527581.db2.gz CYFWDHPMYWEGFW-QWHCGFSZSA-N 3 1 223.364 0.799 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777484 370527590 /nfs/dbraw/zinc/52/75/90/370527590.db2.gz CYFWDHPMYWEGFW-QWHCGFSZSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777484 370527598 /nfs/dbraw/zinc/52/75/98/370527598.db2.gz CYFWDHPMYWEGFW-QWHCGFSZSA-N 2 1 223.364 0.799 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781959 370531079 /nfs/dbraw/zinc/53/10/79/370531079.db2.gz KLNFDXNHWHKLSL-OLZOCXBDSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781959 370531082 /nfs/dbraw/zinc/53/10/82/370531082.db2.gz KLNFDXNHWHKLSL-OLZOCXBDSA-N 2 1 234.347 0.776 20 0 BCADMP COC[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)OC ZINC000621783356 370533409 /nfs/dbraw/zinc/53/34/09/370533409.db2.gz AEHSDZGJMIVPGW-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)OC ZINC000621783356 370533413 /nfs/dbraw/zinc/53/34/13/370533413.db2.gz AEHSDZGJMIVPGW-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784114 370535567 /nfs/dbraw/zinc/53/55/67/370535567.db2.gz KDDYWSMDCKJQEN-GMXVVIOVSA-N 2 1 237.347 0.420 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784114 370535569 /nfs/dbraw/zinc/53/55/69/370535569.db2.gz KDDYWSMDCKJQEN-GMXVVIOVSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2C)CC[N@H+]1C ZINC000624174264 371365473 /nfs/dbraw/zinc/36/54/73/371365473.db2.gz UVCCXYHPXAQQDR-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000624131806 371334180 /nfs/dbraw/zinc/33/41/80/371334180.db2.gz ZLSMRIMDKKTLFK-MMWGEVLESA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000624131806 371334184 /nfs/dbraw/zinc/33/41/84/371334184.db2.gz ZLSMRIMDKKTLFK-MMWGEVLESA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1C ZINC000624219015 371407605 /nfs/dbraw/zinc/40/76/05/371407605.db2.gz IMDQSPQNGIAMSO-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000627488144 371653959 /nfs/dbraw/zinc/65/39/59/371653959.db2.gz SBNUPEMDDIJWAM-VXGBXAGGSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000627488144 371653965 /nfs/dbraw/zinc/65/39/65/371653965.db2.gz SBNUPEMDDIJWAM-VXGBXAGGSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000627488143 371654536 /nfs/dbraw/zinc/65/45/36/371654536.db2.gz SBNUPEMDDIJWAM-RYUDHWBXSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000627488143 371654546 /nfs/dbraw/zinc/65/45/46/371654546.db2.gz SBNUPEMDDIJWAM-RYUDHWBXSA-N 2 1 248.330 0.354 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627650131 371807574 /nfs/dbraw/zinc/80/75/74/371807574.db2.gz YWNLKMOEVFOAKC-PJXYFTJBSA-N 2 1 239.363 0.347 20 0 BCADMP C[NH+](C)C1CC([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631167537 372216061 /nfs/dbraw/zinc/21/60/61/372216061.db2.gz ZJXJSSIKURLOST-UHFFFAOYSA-N 2 1 221.304 0.969 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000171103450 372313256 /nfs/dbraw/zinc/31/32/56/372313256.db2.gz RFOCUPDQOUILCB-VIFPVBQESA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[NH+](C)C ZINC000171179435 372420549 /nfs/dbraw/zinc/42/05/49/372420549.db2.gz MDGBCRGMABBNML-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825884 372603568 /nfs/dbraw/zinc/60/35/68/372603568.db2.gz XVWWUDNZUBWDPB-CMPLNLGQSA-N 2 1 235.335 0.436 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631823510 372602562 /nfs/dbraw/zinc/60/25/62/372602562.db2.gz GIOJSSSNXMXXOV-HBNTYKKESA-N 2 1 235.335 0.435 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631821173 372595115 /nfs/dbraw/zinc/59/51/15/372595115.db2.gz QTKWWRYQZIJATL-QJPTWQEYSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631821173 372595118 /nfs/dbraw/zinc/59/51/18/372595118.db2.gz QTKWWRYQZIJATL-QJPTWQEYSA-N 2 1 249.362 0.967 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821692 372597607 /nfs/dbraw/zinc/59/76/07/372597607.db2.gz GBMSTNULCAMSOS-SNVBAGLBSA-N 2 1 237.351 0.682 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631822249 372598625 /nfs/dbraw/zinc/59/86/25/372598625.db2.gz XVXBTSSXZSFDLC-QJPTWQEYSA-N 2 1 249.362 0.825 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)C1CC([NH3+])C1 ZINC000631826365 372606512 /nfs/dbraw/zinc/60/65/12/372606512.db2.gz LTDVHUMXEKLHGS-KYHHOPLUSA-N 2 1 221.308 0.187 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828748 372609663 /nfs/dbraw/zinc/60/96/63/372609663.db2.gz XIFPKEYTYRNZGT-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836761 372625772 /nfs/dbraw/zinc/62/57/72/372625772.db2.gz GKUSJRHXGZINKJ-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836761 372625773 /nfs/dbraw/zinc/62/57/73/372625773.db2.gz GKUSJRHXGZINKJ-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C[NH3+] ZINC000631837910 372628989 /nfs/dbraw/zinc/62/89/89/372628989.db2.gz YAMFQXIMWZINLX-ZYHUDNBSSA-N 2 1 239.363 0.381 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C[NH3+] ZINC000631837910 372628996 /nfs/dbraw/zinc/62/89/96/372628996.db2.gz YAMFQXIMWZINLX-ZYHUDNBSSA-N 2 1 239.363 0.381 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837528 372629954 /nfs/dbraw/zinc/62/99/54/372629954.db2.gz CLPSELJTNCCIJV-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000631838347 372631849 /nfs/dbraw/zinc/63/18/49/372631849.db2.gz MTGKWWWZHARFAT-GHMZBOCLSA-N 2 1 208.309 0.410 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843439 372640543 /nfs/dbraw/zinc/64/05/43/372640543.db2.gz NSZHXYINTWHVFM-KXUCPTDWSA-N 2 1 225.336 0.180 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843440 372641218 /nfs/dbraw/zinc/64/12/18/372641218.db2.gz NSZHXYINTWHVFM-OPRDCNLKSA-N 2 1 225.336 0.180 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824779 372604013 /nfs/dbraw/zinc/60/40/13/372604013.db2.gz QBDXSEYSPHXPBL-GRYCIOLGSA-N 2 1 249.362 0.825 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825204 372604487 /nfs/dbraw/zinc/60/44/87/372604487.db2.gz BZIQIVHEOZTFSE-GFCCVEGCSA-N 2 1 220.320 0.956 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825204 372604494 /nfs/dbraw/zinc/60/44/94/372604494.db2.gz BZIQIVHEOZTFSE-GFCCVEGCSA-N 2 1 220.320 0.956 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825864 372604584 /nfs/dbraw/zinc/60/45/84/372604584.db2.gz XKGBHIXTPOEVAX-WHOHXGKFSA-N 2 1 210.321 0.563 20 0 BCADMP C[N@H+](C[C@@H]1CCc2ncnn21)[C@H](C[NH3+])C1CC1 ZINC000631826845 372605663 /nfs/dbraw/zinc/60/56/63/372605663.db2.gz YHHBTCUEPNIJOW-WDEREUQCSA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H](C[NH3+])C1CC1 ZINC000631826845 372605665 /nfs/dbraw/zinc/60/56/65/372605665.db2.gz YHHBTCUEPNIJOW-WDEREUQCSA-N 2 1 235.335 0.435 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862367 372663338 /nfs/dbraw/zinc/66/33/38/372663338.db2.gz OOQAONCKXMRDHN-SNVBAGLBSA-N 2 1 216.325 0.068 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867670 372669815 /nfs/dbraw/zinc/66/98/15/372669815.db2.gz YQZGNRZUZMEVLO-UPJWGTAASA-N 2 1 223.364 0.718 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889126 372685288 /nfs/dbraw/zinc/68/52/88/372685288.db2.gz GCAHCJQGOILUMJ-VXGBXAGGSA-N 3 1 227.352 0.036 20 0 BCADMP [NH3+]CCOCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889126 372685291 /nfs/dbraw/zinc/68/52/91/372685291.db2.gz GCAHCJQGOILUMJ-VXGBXAGGSA-N 2 1 227.352 0.036 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CN)CC[NH2+]1 ZINC000414655864 205768224 /nfs/dbraw/zinc/76/82/24/205768224.db2.gz HUABUNAIJXZJKE-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP O=C(NCC[NH+]1CCC1)c1ccc2c[nH+]cn2c1 ZINC000339960988 182184892 /nfs/dbraw/zinc/18/48/92/182184892.db2.gz RMOBYIYRWVHQQL-UHFFFAOYSA-N 2 1 244.298 0.770 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@H+]1C ZINC000634300521 374127427 /nfs/dbraw/zinc/12/74/27/374127427.db2.gz BHGWGOOZCCGQCR-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000634301031 374128388 /nfs/dbraw/zinc/12/83/88/374128388.db2.gz URKKOJFRGJZPFE-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000634301118 374128621 /nfs/dbraw/zinc/12/86/21/374128621.db2.gz XAYHULNCWHJQRU-QJPTWQEYSA-N 2 1 241.379 0.768 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000037484138 170015212 /nfs/dbraw/zinc/01/52/12/170015212.db2.gz JFVYFTFLUKUYRZ-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CC[NH2+][C@@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000634556793 374314054 /nfs/dbraw/zinc/31/40/54/374314054.db2.gz DTYSUIBVYHGRAR-YUMQZZPRSA-N 2 1 212.297 0.891 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000459782331 206015305 /nfs/dbraw/zinc/01/53/05/206015305.db2.gz ULCWLPORQMHPKW-UPJWGTAASA-N 2 1 242.363 0.599 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000459782331 206015311 /nfs/dbraw/zinc/01/53/11/206015311.db2.gz ULCWLPORQMHPKW-UPJWGTAASA-N 2 1 242.363 0.599 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000044726729 182302867 /nfs/dbraw/zinc/30/28/67/182302867.db2.gz MNRZXWQSIHQOMO-MWLCHTKSSA-N 2 1 223.320 0.091 20 0 BCADMP OCCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418583 183081958 /nfs/dbraw/zinc/08/19/58/183081958.db2.gz WYEFZKMYSGHMFL-STQMWFEESA-N 2 1 242.363 0.602 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259149 169004813 /nfs/dbraw/zinc/00/48/13/169004813.db2.gz UMVNSSLEGJTEJY-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259149 169004815 /nfs/dbraw/zinc/00/48/15/169004815.db2.gz UMVNSSLEGJTEJY-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484940 169006901 /nfs/dbraw/zinc/00/69/01/169006901.db2.gz TWGJYSXRARKWDZ-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236762218 169077961 /nfs/dbraw/zinc/07/79/61/169077961.db2.gz NTZVKQWOZFTDSN-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357421224 169072255 /nfs/dbraw/zinc/07/22/55/169072255.db2.gz SQFICSWDJABNSK-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346135128 169073194 /nfs/dbraw/zinc/07/31/94/169073194.db2.gz CKGDHBURGSDBGV-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000359261532 169074012 /nfs/dbraw/zinc/07/40/12/169074012.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000359261532 169074013 /nfs/dbraw/zinc/07/40/13/169074013.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000359261532 169074014 /nfs/dbraw/zinc/07/40/14/169074014.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000236764549 169078308 /nfs/dbraw/zinc/07/83/08/169078308.db2.gz PANRKCKJPVFITN-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357234622 169078582 /nfs/dbraw/zinc/07/85/82/169078582.db2.gz CCOAGLCFBMBQAR-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226406832 169120415 /nfs/dbraw/zinc/12/04/15/169120415.db2.gz GOWXIQYKFHJLCL-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@H+](CCn1cc[nH+]c1C)CC(=O)NC ZINC000270643878 169171537 /nfs/dbraw/zinc/17/15/37/169171537.db2.gz KACDPTJCYBXZHK-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)NC ZINC000270643878 169171539 /nfs/dbraw/zinc/17/15/39/169171539.db2.gz KACDPTJCYBXZHK-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COC)CC1 ZINC000127328701 169187529 /nfs/dbraw/zinc/18/75/29/169187529.db2.gz BIPTTWDRDJUPFT-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000049555232 169190391 /nfs/dbraw/zinc/19/03/91/169190391.db2.gz SBSWIGYTPUZREA-NEPJUHHUSA-N 2 1 228.336 0.210 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000370778412 169191446 /nfs/dbraw/zinc/19/14/46/169191446.db2.gz FGEUSXGXRJXMCZ-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236764814 169196784 /nfs/dbraw/zinc/19/67/84/169196784.db2.gz YSRAZLGDMHHHJJ-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC000236765896 169197989 /nfs/dbraw/zinc/19/79/89/169197989.db2.gz XJGDEQPIWFSIIL-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000353986954 169199612 /nfs/dbraw/zinc/19/96/12/169199612.db2.gz LSMVZXBLDDNLSV-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000353986954 169199613 /nfs/dbraw/zinc/19/96/13/169199613.db2.gz LSMVZXBLDDNLSV-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000353986956 169200319 /nfs/dbraw/zinc/20/03/19/169200319.db2.gz LSMVZXBLDDNLSV-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000353986956 169200321 /nfs/dbraw/zinc/20/03/21/169200321.db2.gz LSMVZXBLDDNLSV-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751239 169207358 /nfs/dbraw/zinc/20/73/58/169207358.db2.gz CESKDRMLDRUDRE-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112801258 169211474 /nfs/dbraw/zinc/21/14/74/169211474.db2.gz IANYMEOCBPTUNO-MNOVXSKESA-N 2 1 240.351 0.374 20 0 BCADMP CCCNC(=O)C[N@H+](CCC)CCC[NH3+] ZINC000036731879 169219100 /nfs/dbraw/zinc/21/91/00/169219100.db2.gz BYTXEKDXFKYWOK-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CCCNC(=O)C[N@@H+](CCC)CCC[NH3+] ZINC000036731879 169219101 /nfs/dbraw/zinc/21/91/01/169219101.db2.gz BYTXEKDXFKYWOK-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770186 169222362 /nfs/dbraw/zinc/22/23/62/169222362.db2.gz KVRWUUYWGBJKSZ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770186 169222363 /nfs/dbraw/zinc/22/23/63/169222363.db2.gz KVRWUUYWGBJKSZ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC000236917928 169257982 /nfs/dbraw/zinc/25/79/82/169257982.db2.gz JYQQRXUCARNHMW-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000236787390 169258224 /nfs/dbraw/zinc/25/82/24/169258224.db2.gz ZSDNGXBJSFZXMA-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228071695 169245986 /nfs/dbraw/zinc/24/59/86/169245986.db2.gz VNZZCQQFAZKGFO-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531356 169246326 /nfs/dbraw/zinc/24/63/26/169246326.db2.gz BSWXODMJASWRNM-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531356 169246327 /nfs/dbraw/zinc/24/63/27/169246327.db2.gz BSWXODMJASWRNM-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226538387 169246409 /nfs/dbraw/zinc/24/64/09/169246409.db2.gz ZVKQWJXRPNIQPE-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226538387 169246410 /nfs/dbraw/zinc/24/64/10/169246410.db2.gz ZVKQWJXRPNIQPE-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250405405 169246798 /nfs/dbraw/zinc/24/67/98/169246798.db2.gz JOVSHNVALMQTEF-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250405405 169246800 /nfs/dbraw/zinc/24/68/00/169246800.db2.gz JOVSHNVALMQTEF-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815829 134315569 /nfs/dbraw/zinc/31/55/69/134315569.db2.gz BUSXAUUSPSUJSC-LPEHRKFASA-N 2 1 213.325 0.275 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)CC[N@H+]1C ZINC000222425388 134332232 /nfs/dbraw/zinc/33/22/32/134332232.db2.gz HBLBHPCEMHISAR-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226076 134345428 /nfs/dbraw/zinc/34/54/28/134345428.db2.gz YPLWCFLAWWUWHX-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226076 134345429 /nfs/dbraw/zinc/34/54/29/134345429.db2.gz YPLWCFLAWWUWHX-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP Cn1nccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000036901206 383918177 /nfs/dbraw/zinc/91/81/77/383918177.db2.gz ILYABEKNVDQEKV-UHFFFAOYSA-N 2 1 222.336 0.996 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CCCc1c[nH+]cn1C ZINC000315044131 383924699 /nfs/dbraw/zinc/92/46/99/383924699.db2.gz XWFREJXTRLVAHX-WDEREUQCSA-N 2 1 222.336 0.774 20 0 BCADMP CC1(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000564968884 383967475 /nfs/dbraw/zinc/96/74/75/383967475.db2.gz KHDZWZPNUDBGFO-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449148489 384016188 /nfs/dbraw/zinc/01/61/88/384016188.db2.gz TWVMDNAFDHJIBU-UTUOFQBUSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221159771 384092444 /nfs/dbraw/zinc/09/24/44/384092444.db2.gz NWMNPVYXQURMMZ-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648129742 384086519 /nfs/dbraw/zinc/08/65/19/384086519.db2.gz BBDWIKGQAWTRKZ-GMTAPVOTSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@H+]1C ZINC000648130993 384091837 /nfs/dbraw/zinc/09/18/37/384091837.db2.gz RISDCOGZGZQBQE-WZRBSPASSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000517373041 384063571 /nfs/dbraw/zinc/06/35/71/384063571.db2.gz AHWSRIMKWCYFQZ-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])C[N@H+]1C1CC1 ZINC000572600399 384080183 /nfs/dbraw/zinc/08/01/83/384080183.db2.gz SLJCYOSURSOSDR-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP C[N@@H+](C[C@H](O)CNC[C@H]1CCC[NH+]1C)C1CC1 ZINC000310226250 384127174 /nfs/dbraw/zinc/12/71/74/384127174.db2.gz GVPFZPCPERZOSH-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000310226250 384127183 /nfs/dbraw/zinc/12/71/83/384127183.db2.gz GVPFZPCPERZOSH-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CNC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000310226250 384127187 /nfs/dbraw/zinc/12/71/87/384127187.db2.gz GVPFZPCPERZOSH-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237400611 384171804 /nfs/dbraw/zinc/17/18/04/384171804.db2.gz XZJXJPHWHVAZMN-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH3+] ZINC000237400523 384172379 /nfs/dbraw/zinc/17/23/79/384172379.db2.gz VUBDXQQKTXDVAS-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000236104934 384181684 /nfs/dbraw/zinc/18/16/84/384181684.db2.gz BLVFYMOBTRXIFQ-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP C[C@@H](C(=O)N(C)C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336599574 384206854 /nfs/dbraw/zinc/20/68/54/384206854.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000163247367 384189510 /nfs/dbraw/zinc/18/95/10/384189510.db2.gz SWMKWZCZBIUQNE-GXFFZTMASA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1SCC[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000132515181 384194095 /nfs/dbraw/zinc/19/40/95/384194095.db2.gz KYVKQRLFJKFRRX-NXEZZACHSA-N 2 1 218.366 0.788 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000118954313 384221306 /nfs/dbraw/zinc/22/13/06/384221306.db2.gz ANXGHGNGIGWDCJ-ZDUSSCGKSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)COCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333677 384267379 /nfs/dbraw/zinc/26/73/79/384267379.db2.gz ADHVAHDJMIFANZ-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)COCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313333677 384267384 /nfs/dbraw/zinc/26/73/84/384267384.db2.gz ADHVAHDJMIFANZ-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000564986619 384304645 /nfs/dbraw/zinc/30/46/45/384304645.db2.gz AKVOKEAXAJQPCE-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC)C1 ZINC000173894848 384281218 /nfs/dbraw/zinc/28/12/18/384281218.db2.gz XGLOMYQLXVPRIO-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOC)C1 ZINC000173894848 384281222 /nfs/dbraw/zinc/28/12/22/384281222.db2.gz XGLOMYQLXVPRIO-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000173894848 384281226 /nfs/dbraw/zinc/28/12/26/384281226.db2.gz XGLOMYQLXVPRIO-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000051257284 384289755 /nfs/dbraw/zinc/28/97/55/384289755.db2.gz OPDPWTYDBQQFEU-UHFFFAOYSA-N 2 1 210.325 0.837 20 0 BCADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000051257284 384289760 /nfs/dbraw/zinc/28/97/60/384289760.db2.gz OPDPWTYDBQQFEU-UHFFFAOYSA-N 2 1 210.325 0.837 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C ZINC000083399866 384296281 /nfs/dbraw/zinc/29/62/81/384296281.db2.gz HGFOOIWMVOACOV-QWRGUYRKSA-N 2 1 218.341 0.170 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506564 384298234 /nfs/dbraw/zinc/29/82/34/384298234.db2.gz RZLBQRHDAKBCBF-XQHKEYJVSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506564 384298237 /nfs/dbraw/zinc/29/82/37/384298237.db2.gz RZLBQRHDAKBCBF-XQHKEYJVSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCSC2)CC[N@H+]1C ZINC000158142633 384301522 /nfs/dbraw/zinc/30/15/22/384301522.db2.gz HCVRNASDLQRFFZ-GRYCIOLGSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[C@H](C)[NH3+] ZINC000248504682 384346619 /nfs/dbraw/zinc/34/66/19/384346619.db2.gz VRRSODKSVUBIRP-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CC/C=C\C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384730103 384362377 /nfs/dbraw/zinc/36/23/77/384362377.db2.gz AZPCGOIUKXEILD-VSQXVHSFSA-N 2 1 212.337 0.999 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000178709624 384401281 /nfs/dbraw/zinc/40/12/81/384401281.db2.gz GKACRQKDAAOMCL-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000174961638 384378705 /nfs/dbraw/zinc/37/87/05/384378705.db2.gz RRSDQRSRNUWGNK-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000174961638 384378708 /nfs/dbraw/zinc/37/87/08/384378708.db2.gz RRSDQRSRNUWGNK-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000174961638 384378713 /nfs/dbraw/zinc/37/87/13/384378713.db2.gz RRSDQRSRNUWGNK-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000174961638 384378715 /nfs/dbraw/zinc/37/87/15/384378715.db2.gz RRSDQRSRNUWGNK-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648145870 384447404 /nfs/dbraw/zinc/44/74/04/384447404.db2.gz RYIJWUMOILWDBM-OPRDCNLKSA-N 2 1 213.325 0.180 20 0 BCADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000082605317 384435929 /nfs/dbraw/zinc/43/59/29/384435929.db2.gz FASSJBUZQMKEAH-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000082605317 384435934 /nfs/dbraw/zinc/43/59/34/384435934.db2.gz FASSJBUZQMKEAH-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082645449 384438335 /nfs/dbraw/zinc/43/83/35/384438335.db2.gz XYBLZQQHYSDWIU-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CO1 ZINC000647174554 384460192 /nfs/dbraw/zinc/46/01/92/384460192.db2.gz FQATYBRFICFHTE-RYUDHWBXSA-N 2 1 242.363 0.600 20 0 BCADMP Cn1cncc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000335658670 384462708 /nfs/dbraw/zinc/46/27/08/384462708.db2.gz WDMSOQLDBRHKSZ-NSHDSACASA-N 2 1 222.336 0.898 20 0 BCADMP CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000568182542 384465239 /nfs/dbraw/zinc/46/52/39/384465239.db2.gz SIEWCHINXUGJPF-AVGNSLFASA-N 2 1 246.395 0.686 20 0 BCADMP CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000568182542 384465242 /nfs/dbraw/zinc/46/52/42/384465242.db2.gz SIEWCHINXUGJPF-AVGNSLFASA-N 2 1 246.395 0.686 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249078921 384479144 /nfs/dbraw/zinc/47/91/44/384479144.db2.gz RIGSWVNLZOPRGP-NOOOWODRSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000249133983 384497157 /nfs/dbraw/zinc/49/71/57/384497157.db2.gz YKMNVTKAWBMLKZ-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000309556257 384505103 /nfs/dbraw/zinc/50/51/03/384505103.db2.gz JUAMCINGRGSIJL-SDDRHHMPSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000309556257 384505107 /nfs/dbraw/zinc/50/51/07/384505107.db2.gz JUAMCINGRGSIJL-SDDRHHMPSA-N 2 1 228.336 0.068 20 0 BCADMP NC(=O)c1c[nH+]ccc1NCC[N@H+]1CC=CCC1 ZINC000530536241 384507035 /nfs/dbraw/zinc/50/70/35/384507035.db2.gz SZIFJJSOUGNOST-UHFFFAOYSA-N 2 1 246.314 0.276 20 0 BCADMP NC(=O)c1c[nH+]ccc1NCC[N@@H+]1CC=CCC1 ZINC000530536241 384507043 /nfs/dbraw/zinc/50/70/43/384507043.db2.gz SZIFJJSOUGNOST-UHFFFAOYSA-N 2 1 246.314 0.276 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000648168916 384491711 /nfs/dbraw/zinc/49/17/11/384491711.db2.gz GYELERMNZDVYQZ-QJPTWQEYSA-N 2 1 237.347 0.291 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CCCn1ccnc1C ZINC000136386768 384493133 /nfs/dbraw/zinc/49/31/33/384493133.db2.gz FZBGYEWVINDHSX-LBPRGKRZSA-N 2 1 241.335 0.521 20 0 BCADMP COC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000136386768 384493139 /nfs/dbraw/zinc/49/31/39/384493139.db2.gz FZBGYEWVINDHSX-LBPRGKRZSA-N 2 1 241.335 0.521 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136386768 384493143 /nfs/dbraw/zinc/49/31/43/384493143.db2.gz FZBGYEWVINDHSX-LBPRGKRZSA-N 2 1 241.335 0.521 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150817837 384515074 /nfs/dbraw/zinc/51/50/74/384515074.db2.gz AODAREHLHLHWPK-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP Cn1cncc1CC(=O)NCC[N@@H+](C)C1CC1 ZINC000569605094 384524212 /nfs/dbraw/zinc/52/42/12/384524212.db2.gz DCVWULIIXYSZDC-UHFFFAOYSA-N 2 1 236.319 0.173 20 0 BCADMP C[C@H](C(N)=O)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249916164 384530139 /nfs/dbraw/zinc/53/01/39/384530139.db2.gz XLCALYBHJHNVCN-MNOVXSKESA-N 2 1 248.330 0.689 20 0 BCADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000647522911 384545030 /nfs/dbraw/zinc/54/50/30/384545030.db2.gz WDEKUURULKCRIE-CHWSQXEVSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC[N@H+]1C ZINC000648177127 384541499 /nfs/dbraw/zinc/54/14/99/384541499.db2.gz JOCBWCMOFWNNDV-MXWKQRLJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1C ZINC000086010075 384587351 /nfs/dbraw/zinc/58/73/51/384587351.db2.gz LUIRVHQFRPNEGN-TXEJJXNPSA-N 2 1 211.353 0.479 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000171594635 384609863 /nfs/dbraw/zinc/60/98/63/384609863.db2.gz RGDDWXROARUISX-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOCCO)C1 ZINC000081572273 384623420 /nfs/dbraw/zinc/62/34/20/384623420.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000081572273 384623425 /nfs/dbraw/zinc/62/34/25/384623425.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000081572273 384623432 /nfs/dbraw/zinc/62/34/32/384623432.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000081572273 384623436 /nfs/dbraw/zinc/62/34/36/384623436.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000081572273 384623445 /nfs/dbraw/zinc/62/34/45/384623445.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000037889987 384628566 /nfs/dbraw/zinc/62/85/66/384628566.db2.gz VILXUIVPSSVUDU-DCAQKATOSA-N 2 1 216.325 0.066 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647538212 384667962 /nfs/dbraw/zinc/66/79/62/384667962.db2.gz JCSDBFATADXDGK-VXGBXAGGSA-N 2 1 235.335 0.525 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000357038845 384670814 /nfs/dbraw/zinc/67/08/14/384670814.db2.gz ACXJBHZRHXXJBG-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363599746 384650213 /nfs/dbraw/zinc/65/02/13/384650213.db2.gz GLURLAQGZJJBAI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538765 384658135 /nfs/dbraw/zinc/65/81/35/384658135.db2.gz UXEMOPCRHTUVJA-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000104418506 384685640 /nfs/dbraw/zinc/68/56/40/384685640.db2.gz URIOUKOATVGBCE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000104418506 384685647 /nfs/dbraw/zinc/68/56/47/384685647.db2.gz URIOUKOATVGBCE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155499 384727176 /nfs/dbraw/zinc/72/71/76/384727176.db2.gz FWXRCUMDZQOMGH-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155499 384727181 /nfs/dbraw/zinc/72/71/81/384727181.db2.gz FWXRCUMDZQOMGH-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP N[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546820 384733397 /nfs/dbraw/zinc/73/33/97/384733397.db2.gz CTHGXLDBIANFRU-UMSGYPCISA-N 2 1 223.364 0.701 20 0 BCADMP C1C[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000647546793 384734692 /nfs/dbraw/zinc/73/46/92/384734692.db2.gz BMVSODYCIXCVSY-YFKTTZPYSA-N 2 1 209.337 0.326 20 0 BCADMP C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547396 384736223 /nfs/dbraw/zinc/73/62/23/384736223.db2.gz VBKSSLXSFUVILU-KKJSVHSVSA-N 2 1 211.353 0.700 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156235 384748428 /nfs/dbraw/zinc/74/84/28/384748428.db2.gz KRSBHHPZMUYQFU-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CNC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547833 384750628 /nfs/dbraw/zinc/75/06/28/384750628.db2.gz HBXXTVMZOUHAJD-SDDRHHMPSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547833 384750633 /nfs/dbraw/zinc/75/06/33/384750633.db2.gz HBXXTVMZOUHAJD-SDDRHHMPSA-N 3 1 223.364 0.716 20 0 BCADMP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nn1C ZINC000647552293 384757372 /nfs/dbraw/zinc/75/73/72/384757372.db2.gz PMMPTVSWNOQJDV-BDAKNGLRSA-N 2 1 210.325 0.944 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509229 384764506 /nfs/dbraw/zinc/76/45/06/384764506.db2.gz WVNVYWRJNIDZGF-ZYHUDNBSSA-N 3 1 211.353 0.655 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126978452 384834989 /nfs/dbraw/zinc/83/49/89/384834989.db2.gz MOERWAKBVNUDOM-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]C1 ZINC000335057580 384789472 /nfs/dbraw/zinc/78/94/72/384789472.db2.gz ITNHPRIXWLTERH-MNOVXSKESA-N 2 1 237.347 0.339 20 0 BCADMP C[N@H+](CCn1cccn1)[C@@H](CN)C1CC1 ZINC000126707853 384797295 /nfs/dbraw/zinc/79/72/95/384797295.db2.gz OSNQKEIRSBKAEF-NSHDSACASA-N 2 1 208.309 0.552 20 0 BCADMP C[N@@H+](CCn1cccn1)[C@@H](CN)C1CC1 ZINC000126707853 384797300 /nfs/dbraw/zinc/79/73/00/384797300.db2.gz OSNQKEIRSBKAEF-NSHDSACASA-N 2 1 208.309 0.552 20 0 BCADMP CC[NH2+]Cc1cn(CCCc2c[nH+]cn2C)nn1 ZINC000314828130 384808154 /nfs/dbraw/zinc/80/81/54/384808154.db2.gz ZFZLFNAEKGDZGM-UHFFFAOYSA-N 2 1 248.334 0.754 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC1(CO)CC1 ZINC000186772588 384880179 /nfs/dbraw/zinc/88/01/79/384880179.db2.gz MMMKKSXGEWOBLU-UHFFFAOYSA-N 2 1 223.320 0.978 20 0 BCADMP CC(C)CCC[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000258936570 384951373 /nfs/dbraw/zinc/95/13/73/384951373.db2.gz PEEAMTGUZJNCSE-LBPRGKRZSA-N 2 1 213.369 0.916 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647613734 384956254 /nfs/dbraw/zinc/95/62/54/384956254.db2.gz MYXGEFYTJXEYCL-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1OC ZINC000234843082 384894823 /nfs/dbraw/zinc/89/48/23/384894823.db2.gz CCDAAYUFQMJVBN-QNWHQSFQSA-N 2 1 242.363 0.720 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000497255289 384914059 /nfs/dbraw/zinc/91/40/59/384914059.db2.gz XBSHNOJKNLNMOQ-BDAKNGLRSA-N 2 1 227.308 0.154 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000497255289 384914067 /nfs/dbraw/zinc/91/40/67/384914067.db2.gz XBSHNOJKNLNMOQ-BDAKNGLRSA-N 2 1 227.308 0.154 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000257362134 384923710 /nfs/dbraw/zinc/92/37/10/384923710.db2.gz JDVNFTZJPCEBFT-GARJFASQSA-N 2 1 223.320 0.030 20 0 BCADMP CC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCOC ZINC000644520903 384927062 /nfs/dbraw/zinc/92/70/62/384927062.db2.gz UQBYSTDWSNTNLW-LLVKDONJSA-N 2 1 218.341 0.315 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)C1C[NH2+]C1 ZINC000226078112 384938863 /nfs/dbraw/zinc/93/88/63/384938863.db2.gz DHXDSSZUGFKCSQ-GXSJLCMTSA-N 2 1 225.336 0.052 20 0 BCADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939303 /nfs/dbraw/zinc/93/93/03/384939303.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 1 242.363 0.552 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000335616441 384969397 /nfs/dbraw/zinc/96/93/97/384969397.db2.gz GVAMPWRXRGOHGJ-GHMZBOCLSA-N 2 1 242.367 0.315 20 0 BCADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](C)CO ZINC000129441121 384993439 /nfs/dbraw/zinc/99/34/39/384993439.db2.gz UPXNNKPMEBNTSS-NXEZZACHSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000129446867 384994674 /nfs/dbraw/zinc/99/46/74/384994674.db2.gz FPBUOCAIEIRTBW-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000648148570 385001516 /nfs/dbraw/zinc/00/15/16/385001516.db2.gz PNJFAKWKLFDGNI-NOOOWODRSA-N 2 1 239.363 0.570 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394887 385008789 /nfs/dbraw/zinc/00/87/89/385008789.db2.gz AUGYUSCLOPLOFF-CMPLNLGQSA-N 2 1 227.352 0.714 20 0 BCADMP [NH3+]CC1(O)CC[NH+](Cc2ccns2)CC1 ZINC000404477778 385010910 /nfs/dbraw/zinc/01/09/10/385010910.db2.gz ZCLHWARARMBHQL-UHFFFAOYSA-N 2 1 227.333 0.429 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300876529 385014196 /nfs/dbraw/zinc/01/41/96/385014196.db2.gz NWFKVZRTXYMWLV-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300876529 385014204 /nfs/dbraw/zinc/01/42/04/385014204.db2.gz NWFKVZRTXYMWLV-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423520752 385014754 /nfs/dbraw/zinc/01/47/54/385014754.db2.gz QFQWHIFPRUZXAA-FRRDWIJNSA-N 2 1 223.364 0.668 20 0 BCADMP COC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304652274 385018645 /nfs/dbraw/zinc/01/86/45/385018645.db2.gz YMRPGZHHAISFQX-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C(C[N@H+]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919460 385068453 /nfs/dbraw/zinc/06/84/53/385068453.db2.gz AGVALAQGYAASBY-LBPRGKRZSA-N 2 1 211.353 0.671 20 0 BCADMP C(CN1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919460 385068457 /nfs/dbraw/zinc/06/84/57/385068457.db2.gz AGVALAQGYAASBY-LBPRGKRZSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@@H+]1CCCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919460 385068462 /nfs/dbraw/zinc/06/84/62/385068462.db2.gz AGVALAQGYAASBY-LBPRGKRZSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@H+]1CCCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919460 385068464 /nfs/dbraw/zinc/06/84/64/385068464.db2.gz AGVALAQGYAASBY-LBPRGKRZSA-N 2 1 211.353 0.671 20 0 BCADMP Cc1ccc(NCCCNC(=O)[C@H](C)[NH3+])[nH+]c1 ZINC000262715719 385041318 /nfs/dbraw/zinc/04/13/18/385041318.db2.gz VFOOWQGVZMVIHK-JTQLQIEISA-N 2 1 236.319 0.655 20 0 BCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000647460182 385045933 /nfs/dbraw/zinc/04/59/33/385045933.db2.gz NEGSZFZLDCYGRJ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000647460182 385045939 /nfs/dbraw/zinc/04/59/39/385045939.db2.gz NEGSZFZLDCYGRJ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000647460182 385045946 /nfs/dbraw/zinc/04/59/46/385045946.db2.gz NEGSZFZLDCYGRJ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000647460182 385045949 /nfs/dbraw/zinc/04/59/49/385045949.db2.gz NEGSZFZLDCYGRJ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157265989 385129512 /nfs/dbraw/zinc/12/95/12/385129512.db2.gz OKLPOLJOSDOFNG-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157265882 385131682 /nfs/dbraw/zinc/13/16/82/385131682.db2.gz OKLPOLJOSDOFNG-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP COCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245210 385134377 /nfs/dbraw/zinc/13/43/77/385134377.db2.gz KRCCDXCOWXCIPI-LBPRGKRZSA-N 2 1 242.363 0.710 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000367653496 385086477 /nfs/dbraw/zinc/08/64/77/385086477.db2.gz NVENDTGKBSCHKK-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385101995 /nfs/dbraw/zinc/10/19/95/385101995.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385102001 /nfs/dbraw/zinc/10/20/01/385102001.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385102004 /nfs/dbraw/zinc/10/20/04/385102004.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385102008 /nfs/dbraw/zinc/10/20/08/385102008.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404846501 385102618 /nfs/dbraw/zinc/10/26/18/385102618.db2.gz NXVWFZOUSKQFFG-VHSXEESVSA-N 2 1 208.309 0.636 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647064860 385210454 /nfs/dbraw/zinc/21/04/54/385210454.db2.gz QZMLBHPQQVSGEU-BXKDBHETSA-N 2 1 243.326 0.144 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713569 385217496 /nfs/dbraw/zinc/21/74/96/385217496.db2.gz PNOPSKRGRTVZFD-VXGBXAGGSA-N 2 1 230.352 0.579 20 0 BCADMP CC1(C)C[N@@H+](CCCn2ccnc2)C[C@H]1O ZINC000279865782 385219881 /nfs/dbraw/zinc/21/98/81/385219881.db2.gz SWQZSBJUGXEMMH-LLVKDONJSA-N 2 1 223.320 0.976 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000068947141 385228642 /nfs/dbraw/zinc/22/86/42/385228642.db2.gz AYOJRTOIQRGUCF-UHFFFAOYSA-N 2 1 211.353 0.624 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124542 385240749 /nfs/dbraw/zinc/24/07/49/385240749.db2.gz SJMYKKQYBBYCML-YFKTTZPYSA-N 2 1 237.347 0.276 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246919032 385257573 /nfs/dbraw/zinc/25/75/73/385257573.db2.gz MOBNGBUJBDDESE-QJPTWQEYSA-N 2 1 237.347 0.420 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000308891020 385245691 /nfs/dbraw/zinc/24/56/91/385245691.db2.gz WTIVKCPGYFCCJH-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058143 385204809 /nfs/dbraw/zinc/20/48/09/385204809.db2.gz QDBKLYLJACOMOS-UWVGGRQHSA-N 2 1 231.315 0.144 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccncc1[O-] ZINC000569336883 385204950 /nfs/dbraw/zinc/20/49/50/385204950.db2.gz QZTBRTKXWKNGRF-SSDOTTSWSA-N 2 1 221.260 0.288 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931918 385313206 /nfs/dbraw/zinc/31/32/06/385313206.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 2 1 241.379 0.125 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167429891 385314105 /nfs/dbraw/zinc/31/41/05/385314105.db2.gz YBYLBZCCQXIDPV-MNOVXSKESA-N 2 1 200.326 0.687 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000308969842 385321173 /nfs/dbraw/zinc/32/11/73/385321173.db2.gz YMYYNKDYKZZYEH-SECBINFHSA-N 2 1 222.279 0.686 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000308902937 385273122 /nfs/dbraw/zinc/27/31/22/385273122.db2.gz JKSYKVNKAUJOBA-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000259333348 385283421 /nfs/dbraw/zinc/28/34/21/385283421.db2.gz XXMCUIARYQSBBY-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000165054933 385340492 /nfs/dbraw/zinc/34/04/92/385340492.db2.gz DWKBEMISORJQTD-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867001 385340824 /nfs/dbraw/zinc/34/08/24/385340824.db2.gz AEDKBIUBNWOWIL-DJLDLDEBSA-N 2 1 211.309 0.075 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000165031449 385341252 /nfs/dbraw/zinc/34/12/52/385341252.db2.gz FIOWZPZDDSZGLZ-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000165031257 385341520 /nfs/dbraw/zinc/34/15/20/385341520.db2.gz FIOWZPZDDSZGLZ-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000165031135 385342626 /nfs/dbraw/zinc/34/26/26/385342626.db2.gz FIOWZPZDDSZGLZ-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C=Cn1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000194535161 385438864 /nfs/dbraw/zinc/43/88/64/385438864.db2.gz BWBGKQGEIKTKAR-BETUJISGSA-N 2 1 232.331 0.977 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000259065358 385440163 /nfs/dbraw/zinc/44/01/63/385440163.db2.gz HSIFPENKFASMMJ-LLVKDONJSA-N 2 1 241.379 0.772 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405294824 385456541 /nfs/dbraw/zinc/45/65/41/385456541.db2.gz FTUMXPOVXPJPNM-ZJUUUORDSA-N 2 1 227.352 0.474 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000405260785 385430662 /nfs/dbraw/zinc/43/06/62/385430662.db2.gz OOQPUMPWTQQHII-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599231 385478916 /nfs/dbraw/zinc/47/89/16/385478916.db2.gz KRRHFKJQYFCHDR-WCQYABFASA-N 2 1 237.347 0.196 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309210013 385480410 /nfs/dbraw/zinc/48/04/10/385480410.db2.gz NQDJZCGKVCEOMT-QWRGUYRKSA-N 2 1 223.324 0.208 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000257647060 385480469 /nfs/dbraw/zinc/48/04/69/385480469.db2.gz ANCFBPJWDBDUSN-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000257790620 385495280 /nfs/dbraw/zinc/49/52/80/385495280.db2.gz PAXYFSVWBPRPKD-CHWSQXEVSA-N 2 1 225.380 0.868 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000257747619 385496011 /nfs/dbraw/zinc/49/60/11/385496011.db2.gz ZECUMRTXXLCCBC-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000257750171 385496934 /nfs/dbraw/zinc/49/69/34/385496934.db2.gz YJWXMQLMWYARJP-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOCC[NH3+] ZINC000302268419 385507194 /nfs/dbraw/zinc/50/71/94/385507194.db2.gz ABQCLXRQNRSLHK-SNVBAGLBSA-N 2 1 245.367 0.197 20 0 BCADMP Cn1cncc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405345272 385508494 /nfs/dbraw/zinc/50/84/94/385508494.db2.gz GCIGPYCNESWPSX-ZJUUUORDSA-N 2 1 208.309 0.636 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSC1 ZINC000309382900 385556297 /nfs/dbraw/zinc/55/62/97/385556297.db2.gz GSVDOJMGFUBZRO-NEPJUHHUSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSC1 ZINC000309382900 385556298 /nfs/dbraw/zinc/55/62/98/385556298.db2.gz GSVDOJMGFUBZRO-NEPJUHHUSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCSC1)C1CC1 ZINC000309382900 385556300 /nfs/dbraw/zinc/55/63/00/385556300.db2.gz GSVDOJMGFUBZRO-NEPJUHHUSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCSC1)C1CC1 ZINC000309382900 385556302 /nfs/dbraw/zinc/55/63/02/385556302.db2.gz GSVDOJMGFUBZRO-NEPJUHHUSA-N 2 1 244.404 0.879 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309381425 385559249 /nfs/dbraw/zinc/55/92/49/385559249.db2.gz RODXZURHJPLDEI-GARJFASQSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(N)s2)C1 ZINC000309467746 385597146 /nfs/dbraw/zinc/59/71/46/385597146.db2.gz QKFNFVSJYCXAEH-SNVBAGLBSA-N 2 1 226.349 0.896 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000309467746 385597151 /nfs/dbraw/zinc/59/71/51/385597151.db2.gz QKFNFVSJYCXAEH-SNVBAGLBSA-N 2 1 226.349 0.896 20 0 BCADMP CN(C[C@@H](O)C[N@H+]1CCCSCC1)C1CC1 ZINC000309460763 385592631 /nfs/dbraw/zinc/59/26/31/385592631.db2.gz RSKUIPYOSZFKRK-GFCCVEGCSA-N 2 1 244.404 0.880 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495166 385615288 /nfs/dbraw/zinc/61/52/88/385615288.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@H](O)C[N@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495166 385615293 /nfs/dbraw/zinc/61/52/93/385615293.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495166 385615294 /nfs/dbraw/zinc/61/52/94/385615294.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)nn1 ZINC000336724100 385612908 /nfs/dbraw/zinc/61/29/08/385612908.db2.gz BAWLIXRICVDFPM-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)nn1 ZINC000336724100 385612917 /nfs/dbraw/zinc/61/29/17/385612917.db2.gz BAWLIXRICVDFPM-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000337418080 385646244 /nfs/dbraw/zinc/64/62/44/385646244.db2.gz SLLYIOMEUFUXPE-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645263115 385701340 /nfs/dbraw/zinc/70/13/40/385701340.db2.gz HPPNRUWMQZLXNJ-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000353456655 385715071 /nfs/dbraw/zinc/71/50/71/385715071.db2.gz DNSHDMZAMAKKMA-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648349 385731151 /nfs/dbraw/zinc/73/11/51/385731151.db2.gz NFJTWCYJOQVWQP-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647761827 385761362 /nfs/dbraw/zinc/76/13/62/385761362.db2.gz XNTRONIMFVVEJK-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000414857242 385725277 /nfs/dbraw/zinc/72/52/77/385725277.db2.gz CCLLGCHBAOLDAK-UHFFFAOYSA-N 2 1 233.319 0.965 20 0 BCADMP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH2+]C1CC1 ZINC000647799459 385800166 /nfs/dbraw/zinc/80/01/66/385800166.db2.gz HKZZVGDUEFPEEK-GMXVVIOVSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC[N@H+]1C ZINC000647807264 385859308 /nfs/dbraw/zinc/85/93/08/385859308.db2.gz ZWCZVYDYHVRCOX-IRUJWGPZSA-N 2 1 239.363 0.570 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000414953670 385832730 /nfs/dbraw/zinc/83/27/30/385832730.db2.gz JYVOVXZDDZEFIB-MNOVXSKESA-N 2 1 210.325 0.859 20 0 BCADMP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414867025 385795751 /nfs/dbraw/zinc/79/57/51/385795751.db2.gz NUGOSWHTALOCLQ-WOPDTQHZSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000647842499 385891228 /nfs/dbraw/zinc/89/12/28/385891228.db2.gz FEFFLJKACFMAJZ-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000647842499 385891233 /nfs/dbraw/zinc/89/12/33/385891233.db2.gz FEFFLJKACFMAJZ-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH3+])CC[N@H+]1C ZINC000647843649 385892722 /nfs/dbraw/zinc/89/27/22/385892722.db2.gz SPJLXNABLPPQLH-RKDXNWHRSA-N 2 1 213.325 0.180 20 0 BCADMP CCC[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414965143 385911180 /nfs/dbraw/zinc/91/11/80/385911180.db2.gz NDMJNXWKJYOHKX-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417441059 385921977 /nfs/dbraw/zinc/92/19/77/385921977.db2.gz ABKACNLBNGFRNL-SNVBAGLBSA-N 2 1 230.356 0.235 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000647732337 385862603 /nfs/dbraw/zinc/86/26/03/385862603.db2.gz CSVXIZFBCFVSCV-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP Cn1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1=O ZINC000647816534 385868967 /nfs/dbraw/zinc/86/89/67/385868967.db2.gz RHEGXTKDNUJLNZ-UHFFFAOYSA-N 2 1 235.331 0.569 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000647830618 385872787 /nfs/dbraw/zinc/87/27/87/385872787.db2.gz WPWJWIFGROJEKK-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829672 385877916 /nfs/dbraw/zinc/87/79/16/385877916.db2.gz KNGQIDRSXUURNM-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836743 385880338 /nfs/dbraw/zinc/88/03/38/385880338.db2.gz OREPBVOCMINYTF-STQMWFEESA-N 2 1 225.380 0.917 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC1=CC[N@@H+](C)CC1 ZINC000335041470 385933538 /nfs/dbraw/zinc/93/35/38/385933538.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]1CCNC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041470 385933546 /nfs/dbraw/zinc/93/35/46/385933546.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]1CCNC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041470 385933551 /nfs/dbraw/zinc/93/35/51/385933551.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 2 1 223.364 0.836 20 0 BCADMP CC(C)([NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331793708 385969266 /nfs/dbraw/zinc/96/92/66/385969266.db2.gz SVPCYYXETLIQCY-VIFPVBQESA-N 2 1 240.351 0.260 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000336772025 386055800 /nfs/dbraw/zinc/05/58/00/386055800.db2.gz UZHMMPAIYMXTSH-SECBINFHSA-N 2 1 240.269 0.984 20 0 BCADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750384 386003949 /nfs/dbraw/zinc/00/39/49/386003949.db2.gz UUJLVSOLAXPFKC-GXSJLCMTSA-N 2 1 241.360 0.860 20 0 BCADMP C[NH2+]CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165322670 386010158 /nfs/dbraw/zinc/01/01/58/386010158.db2.gz DEOYVNODXRSOBH-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP COC(=O)c1cc(C[NH2+]CC2([NH3+])CCC2)c[nH]1 ZINC000414883140 386016560 /nfs/dbraw/zinc/01/65/60/386016560.db2.gz MUKGVDMUKRTEFW-UHFFFAOYSA-N 2 1 237.303 0.772 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC[NH2+]C)C(C)C ZINC000417465749 386033923 /nfs/dbraw/zinc/03/39/23/386033923.db2.gz SUFISDCSFHTXIR-UHFFFAOYSA-N 2 1 230.356 0.235 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977920 386036736 /nfs/dbraw/zinc/03/67/36/386036736.db2.gz QZZOXOKTGLTXQU-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000417464640 386041527 /nfs/dbraw/zinc/04/15/27/386041527.db2.gz QWSBDOJOSRKYRS-NSHDSACASA-N 2 1 244.383 0.753 20 0 BCADMP CC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414663558 386111506 /nfs/dbraw/zinc/11/15/06/386111506.db2.gz BIIJGZHGCVPHLE-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414663556 386111979 /nfs/dbraw/zinc/11/19/79/386111979.db2.gz BIIJGZHGCVPHLE-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000340522471 386116804 /nfs/dbraw/zinc/11/68/04/386116804.db2.gz AYMGZCNMQAXUFG-ZDUSSCGKSA-N 2 1 249.362 0.908 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054340069 386120177 /nfs/dbraw/zinc/12/01/77/386120177.db2.gz FKQVBFHBTKYWDD-NXEZZACHSA-N 2 1 225.336 0.182 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129218902 386064986 /nfs/dbraw/zinc/06/49/86/386064986.db2.gz UKEFIKKOPRYDIB-JTQLQIEISA-N 2 1 227.352 0.298 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414651700 386073964 /nfs/dbraw/zinc/07/39/64/386073964.db2.gz FWGVDFJMGSWUFY-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H](CN2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414651700 386073971 /nfs/dbraw/zinc/07/39/71/386073971.db2.gz FWGVDFJMGSWUFY-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC[NH2+]CCOC)[C@H](C)C1 ZINC000414887609 386092615 /nfs/dbraw/zinc/09/26/15/386092615.db2.gz QSFBLTPZUJRKRE-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP COC(=O)c1coc(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000414892917 386153593 /nfs/dbraw/zinc/15/35/93/386153593.db2.gz JSQXRAAVMOYIDO-QMMMGPOBSA-N 2 1 226.276 0.893 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCC[NH3+])C1CC1 ZINC000417489895 386154011 /nfs/dbraw/zinc/15/40/11/386154011.db2.gz QQZPMPYGJOTVJT-UHFFFAOYSA-N 2 1 228.340 0.119 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055088188 386155283 /nfs/dbraw/zinc/15/52/83/386155283.db2.gz ZQZRPYIDITVDRC-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC000417492699 386158181 /nfs/dbraw/zinc/15/81/81/386158181.db2.gz VKWDUBMEDBQANP-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677523 386158238 /nfs/dbraw/zinc/15/82/38/386158238.db2.gz JEUKSLBCPIYKCF-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000346139735 386165899 /nfs/dbraw/zinc/16/58/99/386165899.db2.gz OMTCGVZTZUKKIL-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H]([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000310315109 386173523 /nfs/dbraw/zinc/17/35/23/386173523.db2.gz XIFFNPRRHJPJGR-NXEZZACHSA-N 2 1 241.339 0.001 20 0 BCADMP CNC(=O)CC[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414691216 386185155 /nfs/dbraw/zinc/18/51/55/386185155.db2.gz JIEZKNCZHARJNK-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414691216 386185158 /nfs/dbraw/zinc/18/51/58/386185158.db2.gz JIEZKNCZHARJNK-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365505171 386136609 /nfs/dbraw/zinc/13/66/09/386136609.db2.gz DVSSOGDUFWOLMK-AHWSKYQCSA-N 2 1 237.347 0.124 20 0 BCADMP CCOCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365504011 386137827 /nfs/dbraw/zinc/13/78/27/386137827.db2.gz AAOYMOUTWPPLKZ-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP CCOCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365504011 386137831 /nfs/dbraw/zinc/13/78/31/386137831.db2.gz AAOYMOUTWPPLKZ-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414699502 386202855 /nfs/dbraw/zinc/20/28/55/386202855.db2.gz IKRLFIWETGZQSQ-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000414702489 386208281 /nfs/dbraw/zinc/20/82/81/386208281.db2.gz XLEAKMISVXGPNY-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702529 386209722 /nfs/dbraw/zinc/20/97/22/386209722.db2.gz HWOIFBPMCMMHRT-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647881519 386214337 /nfs/dbraw/zinc/21/43/37/386214337.db2.gz BIQOPQHODQSWCJ-CHWSQXEVSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722015 386214731 /nfs/dbraw/zinc/21/47/31/386214731.db2.gz DXISTHWBVWGFHC-ZYHUDNBSSA-N 2 1 247.342 0.955 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414704803 386215103 /nfs/dbraw/zinc/21/51/03/386215103.db2.gz JRBPLZIMFMMOGX-WOPDTQHZSA-N 2 1 241.379 0.688 20 0 BCADMP COC[C@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414707000 386216124 /nfs/dbraw/zinc/21/61/24/386216124.db2.gz LYUVOJLXFQOUKI-NEPJUHHUSA-N 2 1 232.368 0.737 20 0 BCADMP C[N@@H+](CCNC(=O)NCC[NH3+])C1CCCC1 ZINC000417508564 386216401 /nfs/dbraw/zinc/21/64/01/386216401.db2.gz PVKBBRLILFNGJW-UHFFFAOYSA-N 2 1 228.340 0.119 20 0 BCADMP COC[C@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414707005 386217628 /nfs/dbraw/zinc/21/76/28/386217628.db2.gz LYUVOJLXFQOUKI-RYUDHWBXSA-N 2 1 232.368 0.737 20 0 BCADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347034465 386222835 /nfs/dbraw/zinc/22/28/35/386222835.db2.gz GBMYEQVVJNZOSC-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215331959 386231105 /nfs/dbraw/zinc/23/11/05/386231105.db2.gz YPUJTFHQTRMJIL-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000414715078 386236666 /nfs/dbraw/zinc/23/66/66/386236666.db2.gz XDTSYYKHXNSLQB-CYBMUJFWSA-N 2 1 247.342 0.898 20 0 BCADMP [NH3+]CCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000414715078 386236669 /nfs/dbraw/zinc/23/66/69/386236669.db2.gz XDTSYYKHXNSLQB-CYBMUJFWSA-N 2 1 247.342 0.898 20 0 BCADMP CCC[C@H]1CN(CCC[NH3+])CC[N@H+]1CCOC ZINC000414717021 386241286 /nfs/dbraw/zinc/24/12/86/386241286.db2.gz YXPMNFOLVPGUCL-ZDUSSCGKSA-N 2 1 243.395 0.768 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000132935527 386260824 /nfs/dbraw/zinc/26/08/24/386260824.db2.gz OKLPOLJOSDOFNG-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC(C)(C)CC[NH3+])C1 ZINC000638355131 386245938 /nfs/dbraw/zinc/24/59/38/386245938.db2.gz FWIGKCZZHVVRER-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CN(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347096218 386248090 /nfs/dbraw/zinc/24/80/90/386248090.db2.gz JAFMREPWHGJBFS-SNVBAGLBSA-N 2 1 235.335 0.323 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347096218 386248095 /nfs/dbraw/zinc/24/80/95/386248095.db2.gz JAFMREPWHGJBFS-SNVBAGLBSA-N 2 1 235.335 0.323 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336647263 386257537 /nfs/dbraw/zinc/25/75/37/386257537.db2.gz LWBQZYOOKAZLRG-UTUOFQBUSA-N 2 1 212.337 0.926 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414693521 386192045 /nfs/dbraw/zinc/19/20/45/386192045.db2.gz BZGCOAYYAFIDHY-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693955 386192071 /nfs/dbraw/zinc/19/20/71/386192071.db2.gz SEYJFWKIFNNAFW-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414693955 386192075 /nfs/dbraw/zinc/19/20/75/386192075.db2.gz SEYJFWKIFNNAFW-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000414698092 386198780 /nfs/dbraw/zinc/19/87/80/386198780.db2.gz RUKOZHQHLCNGFG-ZDUSSCGKSA-N 2 1 241.379 0.379 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000414732887 386292677 /nfs/dbraw/zinc/29/26/77/386292677.db2.gz IUVSVAWMPMDIDE-NSHDSACASA-N 2 1 211.353 0.786 20 0 BCADMP NCC1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000414732887 386292682 /nfs/dbraw/zinc/29/26/82/386292682.db2.gz IUVSVAWMPMDIDE-NSHDSACASA-N 2 1 211.353 0.786 20 0 BCADMP NCC1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000414732887 386292686 /nfs/dbraw/zinc/29/26/86/386292686.db2.gz IUVSVAWMPMDIDE-NSHDSACASA-N 2 1 211.353 0.786 20 0 BCADMP C[C@@H](CNC(=O)NCCC[NH3+])[N@@H+](C)C1CC1 ZINC000417538072 386299028 /nfs/dbraw/zinc/29/90/28/386299028.db2.gz DAQZUNMVSWSOLW-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336670416 386314666 /nfs/dbraw/zinc/31/46/66/386314666.db2.gz GQCHMTOWOYCCJO-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CO ZINC000414738386 386315801 /nfs/dbraw/zinc/31/58/01/386315801.db2.gz JFOMKQQEJRTHJR-VOAKCMCISA-N 2 1 226.364 0.935 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000416302023 386267781 /nfs/dbraw/zinc/26/77/81/386267781.db2.gz MVKKMCYQEKMCHB-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308439 386269543 /nfs/dbraw/zinc/26/95/43/386269543.db2.gz QPQMTSFRJVEXPT-GHMZBOCLSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000414746574 386346412 /nfs/dbraw/zinc/34/64/12/386346412.db2.gz SIGUKYHYMITPEO-FRRDWIJNSA-N 2 1 225.380 0.853 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000335279045 386348515 /nfs/dbraw/zinc/34/85/15/386348515.db2.gz OSOIDVQKMKJLOR-IUCAKERBSA-N 2 1 219.279 0.183 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCC[N@H+]1C ZINC000265606319 386351927 /nfs/dbraw/zinc/35/19/27/386351927.db2.gz BFBHAHUJERGRDS-OKPNEXGHSA-N 2 1 225.336 0.315 20 0 BCADMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCC[NH3+] ZINC000414753116 386386701 /nfs/dbraw/zinc/38/67/01/386386701.db2.gz DBBBLSDAXVYNRH-GHMZBOCLSA-N 2 1 244.335 0.378 20 0 BCADMP c1ncn([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000647989538 386357941 /nfs/dbraw/zinc/35/79/41/386357941.db2.gz BALKPZYHIPNPCA-ZDUSSCGKSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414905259 386358409 /nfs/dbraw/zinc/35/84/09/386358409.db2.gz NUGOSWHTALOCLQ-TUAOUCFPSA-N 3 1 211.353 0.716 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989571 386359634 /nfs/dbraw/zinc/35/96/34/386359634.db2.gz GFKUMUWPUBJHRK-WDEREUQCSA-N 2 1 221.308 0.134 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237402696 386376726 /nfs/dbraw/zinc/37/67/26/386376726.db2.gz RIIGEBOEPFYFPD-LLVKDONJSA-N 2 1 247.342 0.508 20 0 BCADMP C[C@H](C(=O)N[C@@H](C)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000276863220 386384244 /nfs/dbraw/zinc/38/42/44/386384244.db2.gz BPVLKXGYMUAAKM-NWDGAFQWSA-N 2 1 249.358 0.970 20 0 BCADMP COC(=O)[C@]1(C)C[N@@H+](CCC[NH3+])C[C@H]1C ZINC000414741934 386327728 /nfs/dbraw/zinc/32/77/28/386327728.db2.gz LICGKBZKZYGXLK-MWLCHTKSSA-N 2 1 214.309 0.466 20 0 BCADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000647989151 386328293 /nfs/dbraw/zinc/32/82/93/386328293.db2.gz PJEAXKBJHDFDMP-CYBMUJFWSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417134116 386452650 /nfs/dbraw/zinc/45/26/50/386452650.db2.gz IFCKSPWQCDFMBE-MXWKQRLJSA-N 2 1 240.351 0.260 20 0 BCADMP COC[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647891619 386393880 /nfs/dbraw/zinc/39/38/80/386393880.db2.gz YLFDSOOLOLYILX-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C1CCOCC1 ZINC000414755070 386394045 /nfs/dbraw/zinc/39/40/45/386394045.db2.gz OPTAICIQELKKTR-LBPRGKRZSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C1CCOCC1 ZINC000414755070 386394051 /nfs/dbraw/zinc/39/40/51/386394051.db2.gz OPTAICIQELKKTR-LBPRGKRZSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000414755371 386395130 /nfs/dbraw/zinc/39/51/30/386395130.db2.gz HKMTWVRHUNSPQD-VWYCJHECSA-N 2 1 200.326 0.815 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000414755371 386395134 /nfs/dbraw/zinc/39/51/34/386395134.db2.gz HKMTWVRHUNSPQD-VWYCJHECSA-N 2 1 200.326 0.815 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347417943 386397247 /nfs/dbraw/zinc/39/72/47/386397247.db2.gz QHNTVHVSNSQIIM-JHJVBQTASA-N 2 1 244.379 0.704 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347417948 386397269 /nfs/dbraw/zinc/39/72/69/386397269.db2.gz QHNTVHVSNSQIIM-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417134118 386451681 /nfs/dbraw/zinc/45/16/81/386451681.db2.gz IFCKSPWQCDFMBE-OUAUKWLOSA-N 2 1 240.351 0.260 20 0 BCADMP CCOCC[N@H+]1CCN(C[C@H](C)[NH3+])C[C@H]1CC ZINC000442664856 386416302 /nfs/dbraw/zinc/41/63/02/386416302.db2.gz XMSGEIHRKMWOCC-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336708716 386417498 /nfs/dbraw/zinc/41/74/98/386417498.db2.gz IWJAQRAYCBGSRY-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000336708716 386417503 /nfs/dbraw/zinc/41/75/03/386417503.db2.gz IWJAQRAYCBGSRY-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP FC(F)CN1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647991283 386419313 /nfs/dbraw/zinc/41/93/13/386419313.db2.gz VISZZPSQPZDHMW-NSHDSACASA-N 2 1 247.333 0.869 20 0 BCADMP FC(F)CN1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647991283 386419317 /nfs/dbraw/zinc/41/93/17/386419317.db2.gz VISZZPSQPZDHMW-NSHDSACASA-N 2 1 247.333 0.869 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427869 386422689 /nfs/dbraw/zinc/42/26/89/386422689.db2.gz YXTFQVFSAARTHJ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427869 386422693 /nfs/dbraw/zinc/42/26/93/386422693.db2.gz YXTFQVFSAARTHJ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427869 386422698 /nfs/dbraw/zinc/42/26/98/386422698.db2.gz YXTFQVFSAARTHJ-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290766 386478954 /nfs/dbraw/zinc/47/89/54/386478954.db2.gz YSASGJZKTZSDIQ-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000519606875 386504259 /nfs/dbraw/zinc/50/42/59/386504259.db2.gz OGYFCTCJUUXSKL-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000519606875 386504264 /nfs/dbraw/zinc/50/42/64/386504264.db2.gz OGYFCTCJUUXSKL-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415020033 386509150 /nfs/dbraw/zinc/50/91/50/386509150.db2.gz APZXROIHRNQVDO-IEECTRCBSA-N 2 1 223.364 0.524 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188439802 386516827 /nfs/dbraw/zinc/51/68/27/386516827.db2.gz CQHPHGJFAOPGQF-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449149 386518140 /nfs/dbraw/zinc/51/81/40/386518140.db2.gz WCVNRUGOXJKJSM-MNOVXSKESA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449149 386518141 /nfs/dbraw/zinc/51/81/41/386518141.db2.gz WCVNRUGOXJKJSM-MNOVXSKESA-N 3 1 209.337 0.267 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335448780 386518150 /nfs/dbraw/zinc/51/81/50/386518150.db2.gz SFITWXSBEOKOCT-NEPJUHHUSA-N 3 1 225.380 0.964 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000059931551 386462505 /nfs/dbraw/zinc/46/25/05/386462505.db2.gz AFNYHQPSFOAKRU-ZDUSSCGKSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000059931540 386463507 /nfs/dbraw/zinc/46/35/07/386463507.db2.gz UEDQTCJGYSPNTJ-UHFFFAOYSA-N 2 1 225.336 0.468 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000417625482 386463515 /nfs/dbraw/zinc/46/35/15/386463515.db2.gz MKONLCXFLUWLNA-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000417625429 386463871 /nfs/dbraw/zinc/46/38/71/386463871.db2.gz MCSCAFBWUVXSPC-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797123 386577368 /nfs/dbraw/zinc/57/73/68/386577368.db2.gz AYRIMYQSDMUOHZ-JTQLQIEISA-N 2 1 228.336 0.903 20 0 BCADMP COC(=O)c1cc(C[NH2+]CC(C)(C)[NH3+])c[nH]1 ZINC000414800701 386587752 /nfs/dbraw/zinc/58/77/52/386587752.db2.gz IGPOBVIUOXUBJU-UHFFFAOYSA-N 2 1 225.292 0.628 20 0 BCADMP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000415056838 386537130 /nfs/dbraw/zinc/53/71/30/386537130.db2.gz OSQLSMXPAWDSPN-NSHDSACASA-N 2 1 226.295 0.886 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000415056838 386537140 /nfs/dbraw/zinc/53/71/40/386537140.db2.gz OSQLSMXPAWDSPN-NSHDSACASA-N 2 1 226.295 0.886 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417681830 386538966 /nfs/dbraw/zinc/53/89/66/386538966.db2.gz KDYCPSHGSCQPFA-UWVGGRQHSA-N 2 1 240.351 0.117 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647973994 386544913 /nfs/dbraw/zinc/54/49/13/386544913.db2.gz QZEJRFRUNBYDLC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647973994 386544918 /nfs/dbraw/zinc/54/49/18/386544918.db2.gz QZEJRFRUNBYDLC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321332 386547947 /nfs/dbraw/zinc/54/79/47/386547947.db2.gz JIINUHQGBYVVOU-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335467501 386555304 /nfs/dbraw/zinc/55/53/04/386555304.db2.gz SNGRTYWBEQANJQ-BXKDBHETSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335467503 386556981 /nfs/dbraw/zinc/55/69/81/386556981.db2.gz SNGRTYWBEQANJQ-JOYOIKCWSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417691476 386558686 /nfs/dbraw/zinc/55/86/86/386558686.db2.gz WVBQCAXRSZQVQL-UWVGGRQHSA-N 2 1 240.351 0.260 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417690167 386559509 /nfs/dbraw/zinc/55/95/09/386559509.db2.gz UMKVYFSOOMPBBS-ZJUUUORDSA-N 2 1 240.351 0.260 20 0 BCADMP CC(C)C[C@@H](N)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414794711 386560020 /nfs/dbraw/zinc/56/00/20/386560020.db2.gz MAGNEDJUYKECDJ-CYBMUJFWSA-N 2 1 242.411 0.245 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405862 386562895 /nfs/dbraw/zinc/56/28/95/386562895.db2.gz IPRZJJHCUVAUCW-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP COCC(C)(C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414795825 386564532 /nfs/dbraw/zinc/56/45/32/386564532.db2.gz XEPVEPTZNKOSDH-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP COCC(C)(C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414795825 386564536 /nfs/dbraw/zinc/56/45/36/386564536.db2.gz XEPVEPTZNKOSDH-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)NC ZINC000453396283 386568499 /nfs/dbraw/zinc/56/84/99/386568499.db2.gz HLEZKGKFEDEPSO-NOOOWODRSA-N 2 1 241.379 0.829 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)NC ZINC000453396283 386568503 /nfs/dbraw/zinc/56/85/03/386568503.db2.gz HLEZKGKFEDEPSO-NOOOWODRSA-N 2 1 241.379 0.829 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000415105313 386625094 /nfs/dbraw/zinc/62/50/94/386625094.db2.gz LVFOLRHCXCUQFN-GHMZBOCLSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000337142822 386626238 /nfs/dbraw/zinc/62/62/38/386626238.db2.gz UOZKZYBANNNZAB-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000337142822 386626243 /nfs/dbraw/zinc/62/62/43/386626243.db2.gz UOZKZYBANNNZAB-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906588 386635714 /nfs/dbraw/zinc/63/57/14/386635714.db2.gz HDELQMUNJXJOMH-PWSUYJOCSA-N 2 1 235.331 0.554 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906587 386637510 /nfs/dbraw/zinc/63/75/10/386637510.db2.gz HDELQMUNJXJOMH-JQWIXIFHSA-N 2 1 235.331 0.554 20 0 BCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000647906743 386638594 /nfs/dbraw/zinc/63/85/94/386638594.db2.gz XZLQZXHQKYAXIL-MWLCHTKSSA-N 2 1 238.335 0.980 20 0 BCADMP Cc1noc(CCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000647906742 386640827 /nfs/dbraw/zinc/64/08/27/386640827.db2.gz XZLQZXHQKYAXIL-KOLCDFICSA-N 2 1 238.335 0.980 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000336758682 386647043 /nfs/dbraw/zinc/64/70/43/386647043.db2.gz IMLCRCITUJZBOE-SDDRHHMPSA-N 2 1 230.352 0.578 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942844 386648472 /nfs/dbraw/zinc/64/84/72/386648472.db2.gz SKWZOSIVWFMXHE-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP Cc1nc[nH]c1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000279241175 386653729 /nfs/dbraw/zinc/65/37/29/386653729.db2.gz SLPCXUJXXCABEA-GFCCVEGCSA-N 2 1 248.330 0.961 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H](O)CN(C)C1CC1 ZINC000336645339 386599498 /nfs/dbraw/zinc/59/94/98/386599498.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](CCCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336645339 386599513 /nfs/dbraw/zinc/59/95/13/386599513.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336645339 386599517 /nfs/dbraw/zinc/59/95/17/386599517.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336645339 386599523 /nfs/dbraw/zinc/59/95/23/386599523.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336645339 386599528 /nfs/dbraw/zinc/59/95/28/386599528.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000319240741 386615873 /nfs/dbraw/zinc/61/58/73/386615873.db2.gz WKHJCDGUXIPYHP-QJPTWQEYSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954732 386682179 /nfs/dbraw/zinc/68/21/79/386682179.db2.gz UPHXJZGKZWLELD-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954732 386682184 /nfs/dbraw/zinc/68/21/84/386682184.db2.gz UPHXJZGKZWLELD-NWDGAFQWSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954732 386682192 /nfs/dbraw/zinc/68/21/92/386682192.db2.gz UPHXJZGKZWLELD-NWDGAFQWSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414926856 386673450 /nfs/dbraw/zinc/67/34/50/386673450.db2.gz NUGOSWHTALOCLQ-QJPTWQEYSA-N 3 1 211.353 0.716 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414830786 386711189 /nfs/dbraw/zinc/71/11/89/386711189.db2.gz OGEXUOLXUAKIPG-AXFHLTTASA-N 2 1 210.321 0.753 20 0 BCADMP C[C@@]1(CNCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000414926954 386685372 /nfs/dbraw/zinc/68/53/72/386685372.db2.gz KHTBDRYGSPIALP-MRVPVSSYSA-N 2 1 207.268 0.170 20 0 BCADMP CC(C)C[C@@H](N)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843236 583413926 /nfs/dbraw/zinc/41/39/26/583413926.db2.gz CAMQUHOWPFCRMK-NWDGAFQWSA-N 2 1 213.369 0.949 20 0 BCADMP C[C@H]1CC[N@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000526944175 386701384 /nfs/dbraw/zinc/70/13/84/386701384.db2.gz ZPHVFTWVANQRHP-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000526944175 386701391 /nfs/dbraw/zinc/70/13/91/386701391.db2.gz ZPHVFTWVANQRHP-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC)C[C@@H]1C ZINC000520603943 386704405 /nfs/dbraw/zinc/70/44/05/386704405.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CC)C[C@@H]1C ZINC000520603943 386704408 /nfs/dbraw/zinc/70/44/08/386704408.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CC)C[C@@H]1C ZINC000520603943 386704412 /nfs/dbraw/zinc/70/44/12/386704412.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357066870 386706705 /nfs/dbraw/zinc/70/67/05/386706705.db2.gz CTRDYJSKRUGNLY-VHSXEESVSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357066870 386706709 /nfs/dbraw/zinc/70/67/09/386706709.db2.gz CTRDYJSKRUGNLY-VHSXEESVSA-N 2 1 234.290 0.809 20 0 BCADMP CN(CCOCC[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357078910 386712809 /nfs/dbraw/zinc/71/28/09/386712809.db2.gz KMVAXAMBYXEDFU-GFCCVEGCSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000357078910 386712816 /nfs/dbraw/zinc/71/28/16/386712816.db2.gz KMVAXAMBYXEDFU-GFCCVEGCSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000357078910 386712822 /nfs/dbraw/zinc/71/28/22/386712822.db2.gz KMVAXAMBYXEDFU-GFCCVEGCSA-N 2 1 227.352 0.130 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000357083388 386715456 /nfs/dbraw/zinc/71/54/56/386715456.db2.gz PDQPTALEVUXFJT-OLZOCXBDSA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357240652 386744901 /nfs/dbraw/zinc/74/49/01/386744901.db2.gz JRCCGHIGTJPZNA-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357236378 386745231 /nfs/dbraw/zinc/74/52/31/386745231.db2.gz CVMZDWAVLXKZCK-FXPVBKGRSA-N 2 1 225.336 0.180 20 0 BCADMP CC[N@@H+](CC(=O)N1CCN(C)CC1)C1CCC1 ZINC000357304568 386757202 /nfs/dbraw/zinc/75/72/02/386757202.db2.gz JZLUUPQDCQSAJW-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336664524 386761158 /nfs/dbraw/zinc/76/11/58/386761158.db2.gz PGSMVEUVBIHIBW-SECBINFHSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000340409466 386761881 /nfs/dbraw/zinc/76/18/81/386761881.db2.gz BFEAEYWXEQWSIZ-NWDGAFQWSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000357348661 386765377 /nfs/dbraw/zinc/76/53/77/386765377.db2.gz RFWCKDHJKZSUEW-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1=O ZINC000647908299 386744243 /nfs/dbraw/zinc/74/42/43/386744243.db2.gz MGSWZHWULZTTGB-CQSZACIVSA-N 2 1 247.342 0.571 20 0 BCADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414845319 386790887 /nfs/dbraw/zinc/79/08/87/386790887.db2.gz SFSIETYUSWEMRR-SNVBAGLBSA-N 2 1 235.331 0.731 20 0 BCADMP C[C@H]1OCC[C@@]1(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000394992526 386794705 /nfs/dbraw/zinc/79/47/05/386794705.db2.gz GDHYOZIBNPVHDZ-FVCCEPFGSA-N 2 1 242.363 0.456 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417813993 386780400 /nfs/dbraw/zinc/78/04/00/386780400.db2.gz MQPZLFBNJIEKQQ-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCn1cncn1 ZINC000336672490 386824383 /nfs/dbraw/zinc/82/43/83/386824383.db2.gz SVFFIGBRFYQMCK-NSHDSACASA-N 2 1 225.340 0.583 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993831 386808819 /nfs/dbraw/zinc/80/88/19/386808819.db2.gz BBMYQEVVBLNDOX-OUAUKWLOSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1[C@H](NC(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000417993820 386809897 /nfs/dbraw/zinc/80/98/97/386809897.db2.gz BAKRDTIDCZEWMW-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417994906 386811956 /nfs/dbraw/zinc/81/19/56/386811956.db2.gz CQPGRWNOMIFMQQ-AXFHLTTASA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358084531 386891156 /nfs/dbraw/zinc/89/11/56/386891156.db2.gz RRKHONOHMNEOPY-UTUOFQBUSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358084531 386891159 /nfs/dbraw/zinc/89/11/59/386891159.db2.gz RRKHONOHMNEOPY-UTUOFQBUSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336744576 386868173 /nfs/dbraw/zinc/86/81/73/386868173.db2.gz QGCNOMIIBLSEFB-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336744612 386870599 /nfs/dbraw/zinc/87/05/99/386870599.db2.gz ZNRPRKFUHXFRGC-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336744612 386870603 /nfs/dbraw/zinc/87/06/03/386870603.db2.gz ZNRPRKFUHXFRGC-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1C(N)=O ZINC000302236646 386917796 /nfs/dbraw/zinc/91/77/96/386917796.db2.gz GCPATKWPJWHXQB-UHFFFAOYSA-N 2 1 248.330 0.711 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1C(N)=O ZINC000302236646 386917801 /nfs/dbraw/zinc/91/78/01/386917801.db2.gz GCPATKWPJWHXQB-UHFFFAOYSA-N 2 1 248.330 0.711 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000358247160 386919347 /nfs/dbraw/zinc/91/93/47/386919347.db2.gz HRPNJGBMFHBXKZ-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000358247160 386919351 /nfs/dbraw/zinc/91/93/51/386919351.db2.gz HRPNJGBMFHBXKZ-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852871 386902868 /nfs/dbraw/zinc/90/28/68/386902868.db2.gz BKJNDGJXJNLGIV-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417394337 386925665 /nfs/dbraw/zinc/92/56/65/386925665.db2.gz DHCIPYIYUJQYTD-BETUJISGSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000334877923 386938530 /nfs/dbraw/zinc/93/85/30/386938530.db2.gz DQVLKDMXRQEOHT-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000334877923 386938539 /nfs/dbraw/zinc/93/85/39/386938539.db2.gz DQVLKDMXRQEOHT-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000334877923 386938542 /nfs/dbraw/zinc/93/85/42/386938542.db2.gz DQVLKDMXRQEOHT-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000334877923 386938547 /nfs/dbraw/zinc/93/85/47/386938547.db2.gz DQVLKDMXRQEOHT-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000334817907 386944821 /nfs/dbraw/zinc/94/48/21/386944821.db2.gz ADYRUYNGEQSTPX-AAEUAGOBSA-N 3 1 225.380 0.903 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)C[C@H](C)O1 ZINC000518995659 386977737 /nfs/dbraw/zinc/97/77/37/386977737.db2.gz DXLLQAJZMDKSAM-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP C[NH+](CCC[N@@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353024357 386979488 /nfs/dbraw/zinc/97/94/88/386979488.db2.gz GZQKDHINTOPQNE-UHFFFAOYSA-N 2 1 242.363 0.290 20 0 BCADMP C[NH+](CCC[N@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353024357 386979491 /nfs/dbraw/zinc/97/94/91/386979491.db2.gz GZQKDHINTOPQNE-UHFFFAOYSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368561461 386986107 /nfs/dbraw/zinc/98/61/07/386986107.db2.gz LKFSDLZUMGACKX-JGVFFNPUSA-N 2 1 235.278 0.179 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334916609 386991797 /nfs/dbraw/zinc/99/17/97/386991797.db2.gz CPWZPUGBSKHNME-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000334920894 386996893 /nfs/dbraw/zinc/99/68/93/386996893.db2.gz BOFFHYPHPRCRNU-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822828 386951176 /nfs/dbraw/zinc/95/11/76/386951176.db2.gz XGSITQYDKWAAFW-ZYHUDNBSSA-N 3 1 211.353 0.716 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398998471 387036939 /nfs/dbraw/zinc/03/69/39/387036939.db2.gz BKLDRYRWUGVMHR-CMPLNLGQSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074209 387043370 /nfs/dbraw/zinc/04/33/70/387043370.db2.gz HQVBZERFBOSMGL-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCOCC1 ZINC000336764104 387044300 /nfs/dbraw/zinc/04/43/00/387044300.db2.gz PYDDFLKXVOHMJA-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCC2)CC[N@H+]1C ZINC000648108699 387061905 /nfs/dbraw/zinc/06/19/05/387061905.db2.gz VEVINNGOHNLVQX-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000334939647 387015794 /nfs/dbraw/zinc/01/57/94/387015794.db2.gz UIRSHSAUNPTHCY-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@@H+]1C ZINC000417400694 387023289 /nfs/dbraw/zinc/02/32/89/387023289.db2.gz KUDALDYRESIMMG-KXNHARMFSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@H+]1C ZINC000417400694 387023293 /nfs/dbraw/zinc/02/32/93/387023293.db2.gz KUDALDYRESIMMG-KXNHARMFSA-N 2 1 212.337 0.972 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000519165900 387024073 /nfs/dbraw/zinc/02/40/73/387024073.db2.gz IAOJOXKQWMIUQB-RNJOBUHISA-N 3 1 241.379 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000519165900 387024075 /nfs/dbraw/zinc/02/40/75/387024075.db2.gz IAOJOXKQWMIUQB-RNJOBUHISA-N 2 1 241.379 0.016 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)[C@@H]1CCC[NH2+]1 ZINC000333294676 387027423 /nfs/dbraw/zinc/02/74/23/387027423.db2.gz PDBYBVZGNDZECY-SRVKXCTJSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@H]1CCCC[NH2+]1 ZINC000333346467 387029841 /nfs/dbraw/zinc/02/98/41/387029841.db2.gz ZIGXACVIHGGJSJ-QJPTWQEYSA-N 2 1 249.362 0.713 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334983080 387070584 /nfs/dbraw/zinc/07/05/84/387070584.db2.gz CYUBTINZYAVQQZ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334983080 387070586 /nfs/dbraw/zinc/07/05/86/387070586.db2.gz CYUBTINZYAVQQZ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000111380513 387077284 /nfs/dbraw/zinc/07/72/84/387077284.db2.gz VZXPSVKZZXZLOY-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000111380513 387077287 /nfs/dbraw/zinc/07/72/87/387077287.db2.gz VZXPSVKZZXZLOY-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000111695937 387084212 /nfs/dbraw/zinc/08/42/12/387084212.db2.gz VGAJAENJJNTYIQ-GARJFASQSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000111695937 387084216 /nfs/dbraw/zinc/08/42/16/387084216.db2.gz VGAJAENJJNTYIQ-GARJFASQSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695730 387085578 /nfs/dbraw/zinc/08/55/78/387085578.db2.gz DFTSYTVSUOEJQY-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695730 387085581 /nfs/dbraw/zinc/08/55/81/387085581.db2.gz DFTSYTVSUOEJQY-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000370180398 387094919 /nfs/dbraw/zinc/09/49/19/387094919.db2.gz CFSURQJVQQUEOZ-NWDGAFQWSA-N 2 1 248.330 0.292 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000071378475 387101667 /nfs/dbraw/zinc/10/16/67/387101667.db2.gz PFJSVJWMXCLJFZ-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334950557 387114555 /nfs/dbraw/zinc/11/45/55/387114555.db2.gz IFAOGZWYIOLGKR-MWLCHTKSSA-N 2 1 246.330 0.067 20 0 BCADMP CCC[NH2+]CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423309077 387146068 /nfs/dbraw/zinc/14/60/68/387146068.db2.gz KWRCIRFUYMBQDQ-JTQLQIEISA-N 2 1 227.352 0.633 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000250243168 387154569 /nfs/dbraw/zinc/15/45/69/387154569.db2.gz MYKPOFHKNQWAPD-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CCC2)C1 ZINC000423343140 387192816 /nfs/dbraw/zinc/19/28/16/387192816.db2.gz ZGGVVLOOXYHLQN-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP CCN1C[C@@H](C)[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000423343140 387192820 /nfs/dbraw/zinc/19/28/20/387192820.db2.gz ZGGVVLOOXYHLQN-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323555 387166875 /nfs/dbraw/zinc/16/68/75/387166875.db2.gz ICTIZRKGGQDHIS-JHJVBQTASA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423323555 387166879 /nfs/dbraw/zinc/16/68/79/387166879.db2.gz ICTIZRKGGQDHIS-JHJVBQTASA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCC1 ZINC000423324523 387167857 /nfs/dbraw/zinc/16/78/57/387167857.db2.gz KIYCPWSMTHYOEP-ZYHUDNBSSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423324523 387167862 /nfs/dbraw/zinc/16/78/62/387167862.db2.gz KIYCPWSMTHYOEP-ZYHUDNBSSA-N 2 1 223.364 0.940 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000336360748 387193438 /nfs/dbraw/zinc/19/34/38/387193438.db2.gz ZNPKDZGFVZPIIW-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423329418 387172017 /nfs/dbraw/zinc/17/20/17/387172017.db2.gz BCQNVWLGXVSHRZ-WPRPVWTQSA-N 2 1 233.306 0.653 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423329418 387172020 /nfs/dbraw/zinc/17/20/20/387172020.db2.gz BCQNVWLGXVSHRZ-WPRPVWTQSA-N 2 1 233.306 0.653 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423337684 387186087 /nfs/dbraw/zinc/18/60/87/387186087.db2.gz YRGZBMZFXPNLJH-CDMKHQONSA-N 2 1 223.364 0.939 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423339248 387187544 /nfs/dbraw/zinc/18/75/44/387187544.db2.gz SESUAPDNPKRHAD-VXGBXAGGSA-N 2 1 241.379 0.437 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCO ZINC000371300064 387188280 /nfs/dbraw/zinc/18/82/80/387188280.db2.gz MOHHNBGQQNZEAW-UTUOFQBUSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883570 387191449 /nfs/dbraw/zinc/19/14/49/387191449.db2.gz BSESZVRCBQWMJY-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883571 387191538 /nfs/dbraw/zinc/19/15/38/387191538.db2.gz BSESZVRCBQWMJY-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCOC1 ZINC000423353006 387205398 /nfs/dbraw/zinc/20/53/98/387205398.db2.gz AWILBEFWTGDDIJ-RHYQMDGZSA-N 2 1 212.337 0.999 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336374083 387205452 /nfs/dbraw/zinc/20/54/52/387205452.db2.gz ZEUUCFWOENTPEN-STQMWFEESA-N 3 1 223.364 0.527 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336374083 387205454 /nfs/dbraw/zinc/20/54/54/387205454.db2.gz ZEUUCFWOENTPEN-STQMWFEESA-N 2 1 223.364 0.527 20 0 BCADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(C)C ZINC000300413514 387207527 /nfs/dbraw/zinc/20/75/27/387207527.db2.gz ADKJOCBAMORIKI-SDDRHHMPSA-N 2 1 244.379 0.702 20 0 BCADMP O=C(N1CC[N@@H+]2CCCC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355880 387207701 /nfs/dbraw/zinc/20/77/01/387207701.db2.gz IUXYWOAACPSRGF-DYEKYZERSA-N 2 1 249.358 0.435 20 0 BCADMP O=C(N1CC[N@H+]2CCCC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355880 387207702 /nfs/dbraw/zinc/20/77/02/387207702.db2.gz IUXYWOAACPSRGF-DYEKYZERSA-N 2 1 249.358 0.435 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300414286 387207955 /nfs/dbraw/zinc/20/79/55/387207955.db2.gz KUQNFOHZSMLBTJ-YVECIDJPSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423358468 387211292 /nfs/dbraw/zinc/21/12/92/387211292.db2.gz NKGPZKOINXECST-QJPTWQEYSA-N 2 1 223.364 0.953 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418192969 387213989 /nfs/dbraw/zinc/21/39/89/387213989.db2.gz BCKMOIDLTUGQHD-HBNTYKKESA-N 2 1 244.383 0.750 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418196454 387217159 /nfs/dbraw/zinc/21/71/59/387217159.db2.gz HLAZWEXBYVMURX-QWRGUYRKSA-N 2 1 244.383 0.752 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC(O)C1 ZINC000353500962 387217618 /nfs/dbraw/zinc/21/76/18/387217618.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 2 1 212.337 0.926 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC(O)C1 ZINC000353500962 387217621 /nfs/dbraw/zinc/21/76/21/387217621.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC(O)C1 ZINC000353500962 387217626 /nfs/dbraw/zinc/21/76/26/387217626.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC(O)C1 ZINC000353500962 387217627 /nfs/dbraw/zinc/21/76/27/387217627.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 2 1 212.337 0.926 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418202983 387218353 /nfs/dbraw/zinc/21/83/53/387218353.db2.gz UUYANDMEANYWDX-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418205441 387220065 /nfs/dbraw/zinc/22/00/65/387220065.db2.gz ZBUMZDXOPBIUPR-WDEREUQCSA-N 2 1 244.383 0.704 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000423373130 387227824 /nfs/dbraw/zinc/22/78/24/387227824.db2.gz WIEDMVYGNDHTDW-WCQGTBRESA-N 2 1 212.337 0.999 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000113983710 387231204 /nfs/dbraw/zinc/23/12/04/387231204.db2.gz GJAWPFXAVSTJAH-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000572102398 387234445 /nfs/dbraw/zinc/23/44/45/387234445.db2.gz QMIVHCNECGVNCI-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP COC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353609112 387240932 /nfs/dbraw/zinc/24/09/32/387240932.db2.gz AFNPPKAHGRUESJ-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406849 387244211 /nfs/dbraw/zinc/24/42/11/387244211.db2.gz VEBNLCBNETVXPI-ZDEQEGDKSA-N 2 1 225.380 0.914 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406849 387244217 /nfs/dbraw/zinc/24/42/17/387244217.db2.gz VEBNLCBNETVXPI-ZDEQEGDKSA-N 2 1 225.380 0.914 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CCC[NH2+]1 ZINC000423416507 387247615 /nfs/dbraw/zinc/24/76/15/387247615.db2.gz QTLFZUYTCRRDNM-UMSGYPCISA-N 2 1 242.363 0.911 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@@H]21 ZINC000423420052 387248686 /nfs/dbraw/zinc/24/86/86/387248686.db2.gz AQZUNBCJMHXBHN-BSOLPCOYSA-N 2 1 235.375 0.667 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423426307 387252169 /nfs/dbraw/zinc/25/21/69/387252169.db2.gz HPHJOAWTOXFGQH-PREPNJAASA-N 2 1 209.337 0.134 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000418180869 387194669 /nfs/dbraw/zinc/19/46/69/387194669.db2.gz HZPNTBZETXLGGJ-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000571893821 387195742 /nfs/dbraw/zinc/19/57/42/387195742.db2.gz FBNBFCMPIXWHRQ-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@H](NCC(F)(F)C[NH3+])C1 ZINC000423347352 387197439 /nfs/dbraw/zinc/19/74/39/387197439.db2.gz QFIBEFHFYGRGMI-RKDXNWHRSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NCC(F)(F)C[NH3+])C1 ZINC000423347352 387197445 /nfs/dbraw/zinc/19/74/45/387197445.db2.gz QFIBEFHFYGRGMI-RKDXNWHRSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348143 387197990 /nfs/dbraw/zinc/19/79/90/387197990.db2.gz SSVZHTLTYZSHCT-SRVKXCTJSA-N 2 1 211.353 0.526 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348143 387197993 /nfs/dbraw/zinc/19/79/93/387197993.db2.gz SSVZHTLTYZSHCT-SRVKXCTJSA-N 2 1 211.353 0.526 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000423379587 387262502 /nfs/dbraw/zinc/26/25/02/387262502.db2.gz MDJRYZYBAHGIPT-MNOVXSKESA-N 2 1 239.367 0.989 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000645685053 387266809 /nfs/dbraw/zinc/26/68/09/387266809.db2.gz RUSJVBFHOKLBDW-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684964 387270299 /nfs/dbraw/zinc/27/02/99/387270299.db2.gz PARJQVVLACRSEW-LOWVWBTDSA-N 2 1 237.347 0.196 20 0 BCADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH3+])CO2 ZINC000423390782 387275250 /nfs/dbraw/zinc/27/52/50/387275250.db2.gz KMACUMBESZFMGM-GXSJLCMTSA-N 2 1 236.315 0.936 20 0 BCADMP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000423393110 387278093 /nfs/dbraw/zinc/27/80/93/387278093.db2.gz YKHMKAONZRRYIN-UTUOFQBUSA-N 2 1 213.369 0.914 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423452276 387298840 /nfs/dbraw/zinc/29/88/40/387298840.db2.gz HPHJOAWTOXFGQH-GCHJQGSQSA-N 2 1 209.337 0.134 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423452277 387300602 /nfs/dbraw/zinc/30/06/02/387300602.db2.gz HPHJOAWTOXFGQH-ZIQFBCGOSA-N 2 1 209.337 0.134 20 0 BCADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000354291775 387355029 /nfs/dbraw/zinc/35/50/29/387355029.db2.gz PEJNUMALFPYHOH-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H]1C[C@@H]1C ZINC000423530256 387358739 /nfs/dbraw/zinc/35/87/39/387358739.db2.gz YQFJKTHWIQREQO-RVMXOQNASA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000423530854 387359987 /nfs/dbraw/zinc/35/99/87/387359987.db2.gz XJICVMBAUYHZIN-RTXFEEFZSA-N 2 1 239.363 0.047 20 0 BCADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643503028 387369334 /nfs/dbraw/zinc/36/93/34/387369334.db2.gz ZEEAMYDBWIMRLE-MNOVXSKESA-N 2 1 239.363 0.775 20 0 BCADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643503028 387369338 /nfs/dbraw/zinc/36/93/38/387369338.db2.gz ZEEAMYDBWIMRLE-MNOVXSKESA-N 2 1 239.363 0.775 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C12CCC[NH+]1CCC2 ZINC000423551873 387373394 /nfs/dbraw/zinc/37/33/94/387373394.db2.gz UMNFALDDKFXSLO-UHFFFAOYSA-N 2 1 247.289 0.325 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423567940 387376796 /nfs/dbraw/zinc/37/67/96/387376796.db2.gz VLYXFQUFGRFHEL-CMPLNLGQSA-N 3 1 211.353 0.846 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462775 387321188 /nfs/dbraw/zinc/32/11/88/387321188.db2.gz LVWJYTBXCFHSJA-JHJVBQTASA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462781 387321914 /nfs/dbraw/zinc/32/19/14/387321914.db2.gz LVWJYTBXCFHSJA-YNEHKIRRSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@@H]1CC1(C)C ZINC000423485540 387330764 /nfs/dbraw/zinc/33/07/64/387330764.db2.gz AVMJIMPRUQYEIU-TUAOUCFPSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H]1CC1(C)C ZINC000423485539 387332221 /nfs/dbraw/zinc/33/22/21/387332221.db2.gz AVMJIMPRUQYEIU-SRVKXCTJSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423513465 387346832 /nfs/dbraw/zinc/34/68/32/387346832.db2.gz LRBJBSWSODLGHF-YPMHNXCESA-N 2 1 237.347 0.704 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000515223186 387348460 /nfs/dbraw/zinc/34/84/60/387348460.db2.gz JMQLBSCSWFHZNL-WDEREUQCSA-N 2 1 242.367 0.317 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501246 387352535 /nfs/dbraw/zinc/35/25/35/387352535.db2.gz AWHPBNBNMIKHKH-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781857 387425893 /nfs/dbraw/zinc/42/58/93/387425893.db2.gz YEXLPXRUSVYLCY-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423808937 387432737 /nfs/dbraw/zinc/43/27/37/387432737.db2.gz XOBZBPKOIGOQFW-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837651 387433637 /nfs/dbraw/zinc/43/36/37/387433637.db2.gz BGEKEDAIMDWROR-CMPLNLGQSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423949947 387457574 /nfs/dbraw/zinc/45/75/74/387457574.db2.gz NNOAAPLCBAEDGI-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C[NH+](C)C ZINC000515500822 387390242 /nfs/dbraw/zinc/39/02/42/387390242.db2.gz VSWPIBZBJNCUCN-JQWIXIFHSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656527 387391491 /nfs/dbraw/zinc/39/14/91/387391491.db2.gz XAIJRQSEYNFKMA-KXNHARMFSA-N 2 1 239.363 0.807 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656636 387392578 /nfs/dbraw/zinc/39/25/78/387392578.db2.gz XICAELQFNMYBCA-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423963310 387460029 /nfs/dbraw/zinc/46/00/29/387460029.db2.gz PNRNDJDCUAZLMA-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036871369 387408775 /nfs/dbraw/zinc/40/87/75/387408775.db2.gz FXKXMVMLOAVYOC-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000423769234 387418768 /nfs/dbraw/zinc/41/87/68/387418768.db2.gz GAZDSRMHUALZBO-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)C[NH3+] ZINC000423767081 387418790 /nfs/dbraw/zinc/41/87/90/387418790.db2.gz DFHOMABPLBNIIR-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000336598936 387422743 /nfs/dbraw/zinc/42/27/43/387422743.db2.gz VFFQAQAGCVKUEH-SNVBAGLBSA-N 2 1 233.315 0.860 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(CCOC)C1 ZINC000514680528 387543330 /nfs/dbraw/zinc/54/33/30/387543330.db2.gz ZFYKOHDKGLJTPW-GFCCVEGCSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000361695296 387521711 /nfs/dbraw/zinc/52/17/11/387521711.db2.gz DEOVLVLZPKKQRX-SKDRFNHKSA-N 2 1 233.315 0.637 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000361695296 387521716 /nfs/dbraw/zinc/52/17/16/387521716.db2.gz DEOVLVLZPKKQRX-SKDRFNHKSA-N 2 1 233.315 0.637 20 0 BCADMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000361724731 387526818 /nfs/dbraw/zinc/52/68/18/387526818.db2.gz APXMZVAPVHSHEK-UTUOFQBUSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424007345 387465828 /nfs/dbraw/zinc/46/58/28/387465828.db2.gz VGRGZBPXHCQTEH-RYUDHWBXSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@H](C(=O)N(C)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000424010529 387466556 /nfs/dbraw/zinc/46/65/56/387466556.db2.gz OLJQBKYLJNZHEN-GFCCVEGCSA-N 2 1 249.358 0.924 20 0 BCADMP CO[C@H](C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000516192283 387473038 /nfs/dbraw/zinc/47/30/38/387473038.db2.gz YCIFCYSYPASMMC-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000396743059 387488809 /nfs/dbraw/zinc/48/88/09/387488809.db2.gz UJIYVQQKLFPUKQ-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH3+] ZINC000648110545 387581877 /nfs/dbraw/zinc/58/18/77/387581877.db2.gz BXCVPLBACRKYRU-NXEZZACHSA-N 2 1 238.335 0.860 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000362182206 387582059 /nfs/dbraw/zinc/58/20/59/387582059.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362182206 387582061 /nfs/dbraw/zinc/58/20/61/387582061.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362182206 387582066 /nfs/dbraw/zinc/58/20/66/387582066.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000375852737 387587545 /nfs/dbraw/zinc/58/75/45/387587545.db2.gz VBWBZBCTJAYUKF-SDDRHHMPSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636573 387610327 /nfs/dbraw/zinc/61/03/27/387610327.db2.gz NCZGCUWIHLBNOJ-WOPDTQHZSA-N 3 1 229.368 0.267 20 0 BCADMP C[C@@H](O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124386959 387616011 /nfs/dbraw/zinc/61/60/11/387616011.db2.gz PZAQLGYUYKBQDI-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124386959 387616015 /nfs/dbraw/zinc/61/60/15/387616015.db2.gz PZAQLGYUYKBQDI-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP COCC[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305157420 387565686 /nfs/dbraw/zinc/56/56/86/387565686.db2.gz WCHAEDYLKOUDRT-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367392265 387577005 /nfs/dbraw/zinc/57/70/05/387577005.db2.gz NWBYYXSFUMHDAA-IUCAKERBSA-N 2 1 247.289 0.052 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H](C)C[NH+](C)C)C1CC1 ZINC000355752085 387577641 /nfs/dbraw/zinc/57/76/41/387577641.db2.gz ZTBAHBONCCSBRF-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000430702453 387642667 /nfs/dbraw/zinc/64/26/67/387642667.db2.gz YUYPTIUYMZBORP-IVZWLZJFSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000430702453 387642671 /nfs/dbraw/zinc/64/26/71/387642671.db2.gz YUYPTIUYMZBORP-IVZWLZJFSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422746165 387649930 /nfs/dbraw/zinc/64/99/30/387649930.db2.gz WBVXXFJVAAEFJY-AXFHLTTASA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422746165 387649935 /nfs/dbraw/zinc/64/99/35/387649935.db2.gz WBVXXFJVAAEFJY-AXFHLTTASA-N 2 1 211.353 0.939 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000430795865 387651071 /nfs/dbraw/zinc/65/10/71/387651071.db2.gz IMXCEHWTVWYABR-OUAUKWLOSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000430783607 387652477 /nfs/dbraw/zinc/65/24/77/387652477.db2.gz MZVHILXFVFFRAM-NXEZZACHSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000430808723 387654957 /nfs/dbraw/zinc/65/49/57/387654957.db2.gz NNDPBRHUSCHORC-LLVKDONJSA-N 2 1 225.336 0.135 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000362770826 387658010 /nfs/dbraw/zinc/65/80/10/387658010.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362770826 387658013 /nfs/dbraw/zinc/65/80/13/387658013.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362770826 387658017 /nfs/dbraw/zinc/65/80/17/387658017.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 2 1 227.352 0.252 20 0 BCADMP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000430898988 387659642 /nfs/dbraw/zinc/65/96/42/387659642.db2.gz YLBWTAFKHAWYKR-NSHDSACASA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932884 387662453 /nfs/dbraw/zinc/66/24/53/387662453.db2.gz GRRUMFLVXGIYCF-GRYCIOLGSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932884 387662457 /nfs/dbraw/zinc/66/24/57/387662457.db2.gz GRRUMFLVXGIYCF-GRYCIOLGSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958873 387663809 /nfs/dbraw/zinc/66/38/09/387663809.db2.gz ZNGOGAKEFWLHEE-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958873 387663812 /nfs/dbraw/zinc/66/38/12/387663812.db2.gz ZNGOGAKEFWLHEE-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305966091 387668163 /nfs/dbraw/zinc/66/81/63/387668163.db2.gz XUJIOXPHUDYDNB-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019067 387670579 /nfs/dbraw/zinc/67/05/79/387670579.db2.gz KPMGYJUXPFQRJC-GXSJLCMTSA-N 2 1 239.363 0.570 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422785327 387683123 /nfs/dbraw/zinc/68/31/23/387683123.db2.gz QVEOMKTZDYBQKV-VXGBXAGGSA-N 2 1 229.368 0.424 20 0 BCADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000527690388 387683815 /nfs/dbraw/zinc/68/38/15/387683815.db2.gz DUOQPVSPKWTEHO-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccn1 ZINC000527690388 387683821 /nfs/dbraw/zinc/68/38/21/387683821.db2.gz DUOQPVSPKWTEHO-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000527690386 387685024 /nfs/dbraw/zinc/68/50/24/387685024.db2.gz DUOQPVSPKWTEHO-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccn1 ZINC000527690386 387685029 /nfs/dbraw/zinc/68/50/29/387685029.db2.gz DUOQPVSPKWTEHO-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422786549 387686081 /nfs/dbraw/zinc/68/60/81/387686081.db2.gz SMAFJRYAVKQAPL-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422786548 387686917 /nfs/dbraw/zinc/68/69/17/387686917.db2.gz SMAFJRYAVKQAPL-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCC(=O)NC1)[C@H]1CCCC[NH2+]1 ZINC000422743728 387688746 /nfs/dbraw/zinc/68/87/46/387688746.db2.gz JCSGDWIRKJMUCG-SDDRHHMPSA-N 2 1 239.363 0.775 20 0 BCADMP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424140589 387690426 /nfs/dbraw/zinc/69/04/26/387690426.db2.gz BJOMWSUAAMECQG-MXWKQRLJSA-N 2 1 223.320 0.029 20 0 BCADMP CC[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422871471 387748666 /nfs/dbraw/zinc/74/86/66/387748666.db2.gz YZPFMBUKCOGNLH-TUAOUCFPSA-N 2 1 214.353 0.983 20 0 BCADMP COCCOCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422793914 387697203 /nfs/dbraw/zinc/69/72/03/387697203.db2.gz XQGULAARKGCTFH-VXGBXAGGSA-N 2 1 230.352 0.627 20 0 BCADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422801812 387702150 /nfs/dbraw/zinc/70/21/50/387702150.db2.gz AQLFUHMSHFTCML-RYUDHWBXSA-N 2 1 211.353 0.942 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000127115998 387707123 /nfs/dbraw/zinc/70/71/23/387707123.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000127115998 387707127 /nfs/dbraw/zinc/70/71/27/387707127.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000127115998 387707133 /nfs/dbraw/zinc/70/71/33/387707133.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127213742 387709432 /nfs/dbraw/zinc/70/94/32/387709432.db2.gz HGIMMUCQVWYMSN-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127354661 387711802 /nfs/dbraw/zinc/71/18/02/387711802.db2.gz WLHYWHWVEBRPEG-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cccn1 ZINC000422815715 387714561 /nfs/dbraw/zinc/71/45/61/387714561.db2.gz YDJLBKTUAMATON-VXGBXAGGSA-N 2 1 222.336 0.861 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142549 387730298 /nfs/dbraw/zinc/73/02/98/387730298.db2.gz IKKDHPMACPWESC-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422843746 387730864 /nfs/dbraw/zinc/73/08/64/387730864.db2.gz JIOVJFZMOJVXHC-NWDGAFQWSA-N 2 1 229.368 0.424 20 0 BCADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422847918 387734767 /nfs/dbraw/zinc/73/47/67/387734767.db2.gz AEOZRPTVKQNIIK-FDYHWXHSSA-N 2 1 242.363 0.911 20 0 BCADMP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442659456 387811814 /nfs/dbraw/zinc/81/18/14/387811814.db2.gz KPHUXKYOXBFVOC-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442659456 387811817 /nfs/dbraw/zinc/81/18/17/387811817.db2.gz KPHUXKYOXBFVOC-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892908 387762916 /nfs/dbraw/zinc/76/29/16/387762916.db2.gz ZSDWLCWJDGTOBS-YNEHKIRRSA-N 2 1 241.379 0.437 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422890338 387763156 /nfs/dbraw/zinc/76/31/56/387763156.db2.gz RSRNZORJSDVXEV-AVGNSLFASA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000422908557 387768587 /nfs/dbraw/zinc/76/85/87/387768587.db2.gz YQJDENBXVDVLJQ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422910381 387768838 /nfs/dbraw/zinc/76/88/38/387768838.db2.gz HYZRRFUERMGSIK-LPEHRKFASA-N 2 1 213.325 0.371 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000441611897 387772280 /nfs/dbraw/zinc/77/22/80/387772280.db2.gz KAWAFAXKAYLPFR-LBPRGKRZSA-N 2 1 249.358 0.829 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000441611897 387772284 /nfs/dbraw/zinc/77/22/84/387772284.db2.gz KAWAFAXKAYLPFR-LBPRGKRZSA-N 2 1 249.358 0.829 20 0 BCADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)[NH3+])CO2 ZINC000643529578 387777490 /nfs/dbraw/zinc/77/74/90/387777490.db2.gz CHGWUEBNYAJFKF-MWLCHTKSSA-N 2 1 236.315 0.936 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309442169 387779299 /nfs/dbraw/zinc/77/92/99/387779299.db2.gz OHLUASQZHHDBDK-JFGNBEQYSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309442169 387779302 /nfs/dbraw/zinc/77/93/02/387779302.db2.gz OHLUASQZHHDBDK-JFGNBEQYSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527952687 387783257 /nfs/dbraw/zinc/78/32/57/387783257.db2.gz ISJJIZFMPZGUSE-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422980415 387790877 /nfs/dbraw/zinc/79/08/77/387790877.db2.gz PJURWBWCSVZRIM-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422981413 387791418 /nfs/dbraw/zinc/79/14/18/387791418.db2.gz SQCPPXZBDDLUAM-MXWKQRLJSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982685 387793548 /nfs/dbraw/zinc/79/35/48/387793548.db2.gz XOALQIKERPSRCO-JLLWLGSASA-N 2 1 212.337 0.735 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422981606 387794458 /nfs/dbraw/zinc/79/44/58/387794458.db2.gz TXPYLUDXLFFLPZ-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424152781 387800614 /nfs/dbraw/zinc/80/06/14/387800614.db2.gz IZQHHBMPGGDQKZ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000442654293 387807697 /nfs/dbraw/zinc/80/76/97/387807697.db2.gz AYDFZLNEGSLGPZ-SDDRHHMPSA-N 2 1 229.368 0.111 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154231 387813556 /nfs/dbraw/zinc/81/35/56/387813556.db2.gz LGWJFRZEQNOSHT-KXNHARMFSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424144273 387759873 /nfs/dbraw/zinc/75/98/73/387759873.db2.gz KYYKAPCSAGVKNZ-KKOKHZNYSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@H]([NH2+][C@H](CCO)COC)[C@@H]1CCC[NH2+]1 ZINC000422973543 387823104 /nfs/dbraw/zinc/82/31/04/387823104.db2.gz CAXAOQHRJFLDEG-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@@H]([NH2+][C@H](CCO)COC)[C@@H]1CCC[NH2+]1 ZINC000422973541 387823444 /nfs/dbraw/zinc/82/34/44/387823444.db2.gz CAXAOQHRJFLDEG-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)COC)[C@H]1CCCC[NH2+]1 ZINC000422973581 387824287 /nfs/dbraw/zinc/82/42/87/387824287.db2.gz CDAMGGJCKPPXAC-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007401 387829993 /nfs/dbraw/zinc/82/99/93/387829993.db2.gz QRBKDABNUMECKD-GARJFASQSA-N 2 1 200.326 0.733 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442777713 387832786 /nfs/dbraw/zinc/83/27/86/387832786.db2.gz JQWTVBFTJHGUDT-WOPDTQHZSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCCC1=O ZINC000442774864 387837230 /nfs/dbraw/zinc/83/72/30/387837230.db2.gz DNIWCFIUNNGXTD-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000442784371 387839602 /nfs/dbraw/zinc/83/96/02/387839602.db2.gz VTHGJKYSSIVNJY-WZRBSPASSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000442784371 387839608 /nfs/dbraw/zinc/83/96/08/387839608.db2.gz VTHGJKYSSIVNJY-WZRBSPASSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H](CO)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423015504 387839737 /nfs/dbraw/zinc/83/97/37/387839737.db2.gz RHDDVKNATFCXCJ-QJPTWQEYSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000442784368 387839890 /nfs/dbraw/zinc/83/98/90/387839890.db2.gz VTHGJKYSSIVNJY-MDZLAQPJSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000442784368 387839894 /nfs/dbraw/zinc/83/98/94/387839894.db2.gz VTHGJKYSSIVNJY-MDZLAQPJSA-N 2 1 247.342 0.882 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000528120934 387842819 /nfs/dbraw/zinc/84/28/19/387842819.db2.gz ZWQCFIDNIAMGEG-NSHDSACASA-N 2 1 236.319 0.259 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000528120934 387842820 /nfs/dbraw/zinc/84/28/20/387842820.db2.gz ZWQCFIDNIAMGEG-NSHDSACASA-N 2 1 236.319 0.259 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423028572 387847141 /nfs/dbraw/zinc/84/71/41/387847141.db2.gz GSMKACKPQWNZIE-RCWTZXSCSA-N 2 1 200.326 0.733 20 0 BCADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423036932 387851502 /nfs/dbraw/zinc/85/15/02/387851502.db2.gz LZCRFEWRGHMBJQ-QNWHQSFQSA-N 2 1 242.363 0.911 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168430 387857441 /nfs/dbraw/zinc/85/74/41/387857441.db2.gz FSHPPZPQOWGIMS-OUAUKWLOSA-N 2 1 225.336 0.132 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423061431 387864056 /nfs/dbraw/zinc/86/40/56/387864056.db2.gz KUHLFMOZTBGBTR-NAKRPEOUSA-N 2 1 212.337 0.876 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000423058840 387865300 /nfs/dbraw/zinc/86/53/00/387865300.db2.gz DJEITFCKYPJJHU-QWRGUYRKSA-N 2 1 212.337 0.737 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536230 387867992 /nfs/dbraw/zinc/86/79/92/387867992.db2.gz OVTRGLBLWWYHFQ-IJLUTSLNSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536230 387867994 /nfs/dbraw/zinc/86/79/94/387867994.db2.gz OVTRGLBLWWYHFQ-IJLUTSLNSA-N 2 1 223.364 0.716 20 0 BCADMP C[NH+](C)CCOCC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423065175 387868112 /nfs/dbraw/zinc/86/81/12/387868112.db2.gz AXEZJJDORZBODG-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP C[NH+](C)CCOCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423065175 387868116 /nfs/dbraw/zinc/86/81/16/387868116.db2.gz AXEZJJDORZBODG-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)COCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422969561 387818536 /nfs/dbraw/zinc/81/85/36/387818536.db2.gz DDABCXAEAXPYEO-DRZSPHRISA-N 2 1 242.363 0.504 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)COCC1CC1)[C@H]1CCC[NH2+]1 ZINC000422969560 387818872 /nfs/dbraw/zinc/81/88/72/387818872.db2.gz DDABCXAEAXPYEO-CYZMBNFOSA-N 2 1 242.363 0.504 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184985 387898879 /nfs/dbraw/zinc/89/88/79/387898879.db2.gz YXFJVGNWGXUEEV-ZNSHCXBVSA-N 2 1 225.336 0.132 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000444645122 387893577 /nfs/dbraw/zinc/89/35/77/387893577.db2.gz XCPWKGNXRJEFDH-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538393 387876201 /nfs/dbraw/zinc/87/62/01/387876201.db2.gz JDQMZCODOILRNF-RHYQMDGZSA-N 2 1 229.343 0.664 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857439 387876573 /nfs/dbraw/zinc/87/65/73/387876573.db2.gz FPWOKRWOPZMHKS-NSHDSACASA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000424174999 387879178 /nfs/dbraw/zinc/87/91/78/387879178.db2.gz OZJQLFCDHUBVBL-WHOHXGKFSA-N 2 1 237.347 0.276 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423141545 387918145 /nfs/dbraw/zinc/91/81/45/387918145.db2.gz QOHOTBFTTQMEDH-GRYCIOLGSA-N 2 1 230.352 0.768 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423154219 387932880 /nfs/dbraw/zinc/93/28/80/387932880.db2.gz IWHUPDQEDUYTPX-MXWKQRLJSA-N 2 1 227.352 0.631 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423146113 387922588 /nfs/dbraw/zinc/92/25/88/387922588.db2.gz OBMYFSVZIOASGT-GRYCIOLGSA-N 2 1 230.352 0.362 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N(C)C)CC[N@H+]1C ZINC000156142932 387922716 /nfs/dbraw/zinc/92/27/16/387922716.db2.gz HDBGXQMGCZRCNC-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP COc1nccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423145315 387923218 /nfs/dbraw/zinc/92/32/18/387923218.db2.gz KBKVNXUWHNBOEG-KOLCDFICSA-N 2 1 236.319 0.702 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423149665 387927165 /nfs/dbraw/zinc/92/71/65/387927165.db2.gz AWAZOVRWSPROFE-FVCCEPFGSA-N 2 1 242.363 0.626 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[N@H+]1CCO ZINC000423149581 387928057 /nfs/dbraw/zinc/92/80/57/387928057.db2.gz XUPNWBODHGOJFY-YNEHKIRRSA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCCN1CCO ZINC000423149581 387928059 /nfs/dbraw/zinc/92/80/59/387928059.db2.gz XUPNWBODHGOJFY-YNEHKIRRSA-N 2 1 243.395 0.549 20 0 BCADMP Cc1cnc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000423168905 387955404 /nfs/dbraw/zinc/95/54/04/387955404.db2.gz VIGHPBWOYPQGNS-MFKMUULPSA-N 2 1 234.347 0.915 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156222870 387940819 /nfs/dbraw/zinc/94/08/19/387940819.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156222870 387940821 /nfs/dbraw/zinc/94/08/21/387940821.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156222870 387940826 /nfs/dbraw/zinc/94/08/26/387940826.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 1 243.395 0.637 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423107961 387946845 /nfs/dbraw/zinc/94/68/45/387946845.db2.gz LTVFHOBPWRFGCA-SRVKXCTJSA-N 2 1 214.353 0.839 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000452978143 387949123 /nfs/dbraw/zinc/94/91/23/387949123.db2.gz RTHMPBGPRQPRRN-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000565160352 387949852 /nfs/dbraw/zinc/94/98/52/387949852.db2.gz BWPYTVCFUIYBIG-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000565160352 387949860 /nfs/dbraw/zinc/94/98/60/387949860.db2.gz BWPYTVCFUIYBIG-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000565160352 387949867 /nfs/dbraw/zinc/94/98/67/387949867.db2.gz BWPYTVCFUIYBIG-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000565160352 387949870 /nfs/dbraw/zinc/94/98/70/387949870.db2.gz BWPYTVCFUIYBIG-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000565160314 387950377 /nfs/dbraw/zinc/95/03/77/387950377.db2.gz BWPYTVCFUIYBIG-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000565160314 387950383 /nfs/dbraw/zinc/95/03/83/387950383.db2.gz BWPYTVCFUIYBIG-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000565160314 387950386 /nfs/dbraw/zinc/95/03/86/387950386.db2.gz BWPYTVCFUIYBIG-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000565160314 387950392 /nfs/dbraw/zinc/95/03/92/387950392.db2.gz BWPYTVCFUIYBIG-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000424298373 387958527 /nfs/dbraw/zinc/95/85/27/387958527.db2.gz DBRVWOLQPJOLHE-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000158784404 387961339 /nfs/dbraw/zinc/96/13/39/387961339.db2.gz FZFFEUOCBCYWMG-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000158784404 387961342 /nfs/dbraw/zinc/96/13/42/387961342.db2.gz FZFFEUOCBCYWMG-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000158784404 387961344 /nfs/dbraw/zinc/96/13/44/387961344.db2.gz FZFFEUOCBCYWMG-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453095017 387981626 /nfs/dbraw/zinc/98/16/26/387981626.db2.gz GUTBMLKJSXNXIV-CMPLNLGQSA-N 2 1 226.320 0.723 20 0 BCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(N)=[NH2+] ZINC000439010858 387973987 /nfs/dbraw/zinc/97/39/87/387973987.db2.gz OXCPHJQEJAXDRE-JTQLQIEISA-N 2 1 212.341 0.980 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424333138 387976752 /nfs/dbraw/zinc/97/67/52/387976752.db2.gz LMNTWVCHDOCFIY-SNVBAGLBSA-N 2 1 209.297 0.264 20 0 BCADMP Cn1ccnc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424363719 387989436 /nfs/dbraw/zinc/98/94/36/387989436.db2.gz CAZBMBWQCSYRCP-VIFPVBQESA-N 2 1 244.289 0.755 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196996 387982445 /nfs/dbraw/zinc/98/24/45/387982445.db2.gz XENIDKKPRFSLPM-MDZLAQPJSA-N 2 1 223.364 0.811 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423200330 387986215 /nfs/dbraw/zinc/98/62/15/387986215.db2.gz LVEBNANFCIWRAK-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423219932 388000131 /nfs/dbraw/zinc/00/01/31/388000131.db2.gz WYLODCWLDMEPTI-WHOHXGKFSA-N 2 1 222.332 0.896 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423222206 388001425 /nfs/dbraw/zinc/00/14/25/388001425.db2.gz AFMOLAURXMYNRC-AXFHLTTASA-N 2 1 212.337 0.999 20 0 BCADMP CC[C@H]([NH2+]CC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423223935 388005756 /nfs/dbraw/zinc/00/57/56/388005756.db2.gz IACGCOYHCUNRHD-JTQLQIEISA-N 2 1 228.336 0.917 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698799 135098647 /nfs/dbraw/zinc/09/86/47/135098647.db2.gz PFPZHDTWRXWVKG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698799 135098649 /nfs/dbraw/zinc/09/86/49/135098649.db2.gz PFPZHDTWRXWVKG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887009 135101055 /nfs/dbraw/zinc/10/10/55/135101055.db2.gz GEKSOVGSMWNEFB-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229377 388015157 /nfs/dbraw/zinc/01/51/57/388015157.db2.gz BASYYRQXCQEJNA-NTZNESFSSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363884 388016755 /nfs/dbraw/zinc/01/67/55/388016755.db2.gz QRVWWBVCEYQBPX-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423264010 388042262 /nfs/dbraw/zinc/04/22/62/388042262.db2.gz PLKBKJPOCPRKEL-ONGXEEELSA-N 2 1 227.352 0.748 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244461 388027770 /nfs/dbraw/zinc/02/77/70/388027770.db2.gz XNZPYUYKRNKLMG-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423249466 388031408 /nfs/dbraw/zinc/03/14/08/388031408.db2.gz SEHQMCXGAJOIEV-GMTAPVOTSA-N 2 1 228.336 0.773 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277348 388058233 /nfs/dbraw/zinc/05/82/33/388058233.db2.gz PXLXMLBCRWYYSP-SRVKXCTJSA-N 2 1 213.369 0.772 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277348 388058240 /nfs/dbraw/zinc/05/82/40/388058240.db2.gz PXLXMLBCRWYYSP-SRVKXCTJSA-N 2 1 213.369 0.772 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423285272 388068279 /nfs/dbraw/zinc/06/82/79/388068279.db2.gz YZPUEHKUKQQGMF-SRVKXCTJSA-N 2 1 213.369 0.900 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH3+])C1CC1 ZINC000423285486 388069989 /nfs/dbraw/zinc/06/99/89/388069989.db2.gz YFXVYQBXCNSFPF-WQAKAFBOSA-N 2 1 223.364 0.796 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000447442063 388072591 /nfs/dbraw/zinc/07/25/91/388072591.db2.gz QPODDYHWRQXFDR-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447908806 388102763 /nfs/dbraw/zinc/10/27/63/388102763.db2.gz BYGSDMKOMNXYCC-RYUDHWBXSA-N 2 1 239.319 0.321 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886543 388110200 /nfs/dbraw/zinc/11/02/00/388110200.db2.gz KRYVVQHIKNMSDU-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886543 388110203 /nfs/dbraw/zinc/11/02/03/388110203.db2.gz KRYVVQHIKNMSDU-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423271185 388048701 /nfs/dbraw/zinc/04/87/01/388048701.db2.gz IRJGQDYYSFBWSX-LOWVWBTDSA-N 2 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423271185 388048704 /nfs/dbraw/zinc/04/87/04/388048704.db2.gz IRJGQDYYSFBWSX-LOWVWBTDSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000645906572 388123581 /nfs/dbraw/zinc/12/35/81/388123581.db2.gz SZUFQVJYMMEFJI-GXSJLCMTSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000454635036 388126250 /nfs/dbraw/zinc/12/62/50/388126250.db2.gz UHSLDVYLMRTNOY-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000449102786 388143248 /nfs/dbraw/zinc/14/32/48/388143248.db2.gz LPYAFIAYHLDFQY-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000449115271 388144752 /nfs/dbraw/zinc/14/47/52/388144752.db2.gz LBZAGSWCFVZMNP-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166161390 388254399 /nfs/dbraw/zinc/25/43/99/388254399.db2.gz UEOLLFJSHKLSEK-CMPLNLGQSA-N 2 1 212.337 0.689 20 0 BCADMP O=C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250803852 388189669 /nfs/dbraw/zinc/18/96/69/388189669.db2.gz CABVEDSRXGRLAV-RYUDHWBXSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576036 388237130 /nfs/dbraw/zinc/23/71/30/388237130.db2.gz PKYXEDRTNDNGDH-FOGDFJRCSA-N 2 1 243.326 0.002 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449598154 388239451 /nfs/dbraw/zinc/23/94/51/388239451.db2.gz AZCIIMCDOPGAAC-IUCAKERBSA-N 2 1 201.314 0.179 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449621556 388244290 /nfs/dbraw/zinc/24/42/90/388244290.db2.gz HUCCGKCJVLVWHF-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NCC[N@@H+](C)C1CC1 ZINC000491687869 388310814 /nfs/dbraw/zinc/31/08/14/388310814.db2.gz YDWRCUQPQINQEW-PLNGDYQASA-N 2 1 225.336 0.315 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491841398 388324283 /nfs/dbraw/zinc/32/42/83/388324283.db2.gz CGUIQVGZKPIJPS-SREVYHEPSA-N 2 1 227.352 0.561 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCC[N@H+]1C ZINC000491861917 388324963 /nfs/dbraw/zinc/32/49/63/388324963.db2.gz BFBHAHUJERGRDS-JPVGGKMYSA-N 2 1 225.336 0.315 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646417777 388354139 /nfs/dbraw/zinc/35/41/39/388354139.db2.gz DSWVHMXNHDZWEW-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646417779 388354378 /nfs/dbraw/zinc/35/43/78/388354378.db2.gz DSWVHMXNHDZWEW-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+](CCNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000516578333 388355398 /nfs/dbraw/zinc/35/53/98/388355398.db2.gz FRJSQOXFNAEJLY-UHFFFAOYSA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000516578333 388355400 /nfs/dbraw/zinc/35/54/00/388355400.db2.gz FRJSQOXFNAEJLY-UHFFFAOYSA-N 2 1 249.305 0.571 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163419294 388362203 /nfs/dbraw/zinc/36/22/03/388362203.db2.gz PGSRAXIWUXSQMS-MNOVXSKESA-N 2 1 223.320 0.941 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572644112 388363370 /nfs/dbraw/zinc/36/33/70/388363370.db2.gz NYBGNOMJDOIDRV-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309547996 388367214 /nfs/dbraw/zinc/36/72/14/388367214.db2.gz CNEMKGABMCXDNI-LBPRGKRZSA-N 2 1 211.353 0.527 20 0 BCADMP Nc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000309586624 388368629 /nfs/dbraw/zinc/36/86/29/388368629.db2.gz VYOMGIODBLQTGM-MRVPVSSYSA-N 2 1 226.349 0.896 20 0 BCADMP Nc1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000309586624 388368631 /nfs/dbraw/zinc/36/86/31/388368631.db2.gz VYOMGIODBLQTGM-MRVPVSSYSA-N 2 1 226.349 0.896 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646523232 388375378 /nfs/dbraw/zinc/37/53/78/388375378.db2.gz SLTRHMNBSIKPKE-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000354292800 388378210 /nfs/dbraw/zinc/37/82/10/388378210.db2.gz XOFNPPQJVVMCLJ-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000236874003 388384661 /nfs/dbraw/zinc/38/46/61/388384661.db2.gz XTIKQTXTWVDNAV-LLVKDONJSA-N 2 1 241.379 0.772 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000300689140 388388448 /nfs/dbraw/zinc/38/84/48/388388448.db2.gz FGDDRODDPRZQON-OLZOCXBDSA-N 2 1 241.379 0.127 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646594463 388391793 /nfs/dbraw/zinc/39/17/93/388391793.db2.gz JWEFAZPZMAACBI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646625171 388397505 /nfs/dbraw/zinc/39/75/05/388397505.db2.gz XECLARDQYGKPNK-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1C ZINC000631668575 388402568 /nfs/dbraw/zinc/40/25/68/388402568.db2.gz BYFRNULKXVIDHN-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1C ZINC000631668575 388402569 /nfs/dbraw/zinc/40/25/69/388402569.db2.gz BYFRNULKXVIDHN-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCC[C@@H]1O ZINC000336904831 388442436 /nfs/dbraw/zinc/44/24/36/388442436.db2.gz WLJOBFGDMUATQM-QWRGUYRKSA-N 2 1 200.326 0.818 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000526026300 388454721 /nfs/dbraw/zinc/45/47/21/388454721.db2.gz QGGBCJHWGBVGMV-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000526026300 388454724 /nfs/dbraw/zinc/45/47/24/388454724.db2.gz QGGBCJHWGBVGMV-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000526026300 388454726 /nfs/dbraw/zinc/45/47/26/388454726.db2.gz QGGBCJHWGBVGMV-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP CC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336698855 388464161 /nfs/dbraw/zinc/46/41/61/388464161.db2.gz WAEPAEUXYWVXLB-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336698855 388464164 /nfs/dbraw/zinc/46/41/64/388464164.db2.gz WAEPAEUXYWVXLB-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000573244966 388435069 /nfs/dbraw/zinc/43/50/69/388435069.db2.gz ARYGVWRYDLLVTK-IEBDPFPHSA-N 2 1 225.336 0.323 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC1(C)C ZINC000573263286 388437546 /nfs/dbraw/zinc/43/75/46/388437546.db2.gz QUGOAOACRXHFSN-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC1(C)C ZINC000573263286 388437548 /nfs/dbraw/zinc/43/75/48/388437548.db2.gz QUGOAOACRXHFSN-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC1(C)C ZINC000573263286 388437549 /nfs/dbraw/zinc/43/75/49/388437549.db2.gz QUGOAOACRXHFSN-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC1(C)C ZINC000573263286 388437551 /nfs/dbraw/zinc/43/75/51/388437551.db2.gz QUGOAOACRXHFSN-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000528562406 388547525 /nfs/dbraw/zinc/54/75/25/388547525.db2.gz PSPJTSLFBCKMGL-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000528562406 388547527 /nfs/dbraw/zinc/54/75/27/388547527.db2.gz PSPJTSLFBCKMGL-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)([NH3+])C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000517371756 388548120 /nfs/dbraw/zinc/54/81/20/388548120.db2.gz FFIUVABKCFHYBT-MRVPVSSYSA-N 2 1 211.309 0.077 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310572401 388485500 /nfs/dbraw/zinc/48/55/00/388485500.db2.gz OMXCEOKZZVFLLQ-TXEJJXNPSA-N 2 1 239.363 0.444 20 0 BCADMP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310582776 388485744 /nfs/dbraw/zinc/48/57/44/388485744.db2.gz RXRNMYUFOPWZDB-SDDRHHMPSA-N 2 1 240.347 0.869 20 0 BCADMP CC[C@@]1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000378736175 388490447 /nfs/dbraw/zinc/49/04/47/388490447.db2.gz GGVYBIXAQMQDTM-QWHCGFSZSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@]1(O)CC[NH+](CCC[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000177967772 388494380 /nfs/dbraw/zinc/49/43/80/388494380.db2.gz XUFGBJVTAGCRJJ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648931161 388504049 /nfs/dbraw/zinc/50/40/49/388504049.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648931161 388504053 /nfs/dbraw/zinc/50/40/53/388504053.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648931161 388504055 /nfs/dbraw/zinc/50/40/55/388504055.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(C)CC2)CC1 ZINC000516834057 388518996 /nfs/dbraw/zinc/51/89/96/388518996.db2.gz DJCSUWCNBVYYBO-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)OCC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000516921739 388524353 /nfs/dbraw/zinc/52/43/53/388524353.db2.gz JHYYZMIYYARYPA-CYBMUJFWSA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000517030434 388531966 /nfs/dbraw/zinc/53/19/66/388531966.db2.gz OCXKTKYMYXVBKQ-UTUOFQBUSA-N 3 1 211.353 0.846 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000517030433 388532014 /nfs/dbraw/zinc/53/20/14/388532014.db2.gz OCXKTKYMYXVBKQ-TUAOUCFPSA-N 3 1 211.353 0.846 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCO)[C@H](C)C1 ZINC000079462379 388535140 /nfs/dbraw/zinc/53/51/40/388535140.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCO)[C@H](C)C1 ZINC000079462379 388535143 /nfs/dbraw/zinc/53/51/43/388535143.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO)[C@H](C)C1 ZINC000079462379 388535145 /nfs/dbraw/zinc/53/51/45/388535145.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217836 388590796 /nfs/dbraw/zinc/59/07/96/388590796.db2.gz KPGZIIXNYJNOTA-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP [NH3+]CCCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306440 388592776 /nfs/dbraw/zinc/59/27/76/388592776.db2.gz QXVYEDYEUWOPGK-UHFFFAOYSA-N 2 1 247.342 0.857 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649310584 388596783 /nfs/dbraw/zinc/59/67/83/388596783.db2.gz XBGPDOSISNNTBI-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC000245689110 388598558 /nfs/dbraw/zinc/59/85/58/388598558.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649312808 388600087 /nfs/dbraw/zinc/60/00/87/388600087.db2.gz YYZKMAIMNYGZBY-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C ZINC000220124141 388601365 /nfs/dbraw/zinc/60/13/65/388601365.db2.gz ZRIDJHVOWFNHQS-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC1(C)C ZINC000623767087 388604555 /nfs/dbraw/zinc/60/45/55/388604555.db2.gz PRGHQCSHBOEXLG-QJPTWQEYSA-N 2 1 242.363 0.599 20 0 BCADMP CN(C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530025226 388605887 /nfs/dbraw/zinc/60/58/87/388605887.db2.gz PUWMDYAECCTTNC-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530025226 388605891 /nfs/dbraw/zinc/60/58/91/388605891.db2.gz PUWMDYAECCTTNC-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP Cc1noc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000358021493 388553140 /nfs/dbraw/zinc/55/31/40/388553140.db2.gz HPKRINVWULLNNM-KOLCDFICSA-N 2 1 238.335 0.850 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000261536974 388554489 /nfs/dbraw/zinc/55/44/89/388554489.db2.gz UKROUPFSNNXFQK-VIFPVBQESA-N 2 1 210.281 0.045 20 0 BCADMP C[N@@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600334 388565416 /nfs/dbraw/zinc/56/54/16/388565416.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367600334 388565419 /nfs/dbraw/zinc/56/54/19/388565419.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367600334 388565421 /nfs/dbraw/zinc/56/54/21/388565421.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576029 388570274 /nfs/dbraw/zinc/57/02/74/388570274.db2.gz PQZYHVPJENPPFM-XQHKEYJVSA-N 2 1 224.348 0.996 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576029 388570276 /nfs/dbraw/zinc/57/02/76/388570276.db2.gz PQZYHVPJENPPFM-XQHKEYJVSA-N 2 1 224.348 0.996 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297732 388575493 /nfs/dbraw/zinc/57/54/93/388575493.db2.gz UGMBHUNOFOMPQF-KVSVUVNWSA-N 2 1 249.358 0.195 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298139 388576340 /nfs/dbraw/zinc/57/63/40/388576340.db2.gz UGVDIRVKIBUZCH-FTYKPCCVSA-N 2 1 249.358 0.052 20 0 BCADMP CO[C@H]1C[N@@H+](Cc2cnc[nH]2)[C@](C)(CO)C1 ZINC000630076253 388618854 /nfs/dbraw/zinc/61/88/54/388618854.db2.gz IVHOMPSOKPSVMA-MNOVXSKESA-N 2 1 225.292 0.381 20 0 BCADMP CO[C@H]1C[N@H+](Cc2c[nH]cn2)[C@](C)(CO)C1 ZINC000630076253 388618857 /nfs/dbraw/zinc/61/88/57/388618857.db2.gz IVHOMPSOKPSVMA-MNOVXSKESA-N 2 1 225.292 0.381 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246253350 388626615 /nfs/dbraw/zinc/62/66/15/388626615.db2.gz JSUDFTXQTLKFAK-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246253350 388626619 /nfs/dbraw/zinc/62/66/19/388626619.db2.gz JSUDFTXQTLKFAK-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530217288 388630983 /nfs/dbraw/zinc/63/09/83/388630983.db2.gz APGZJDAGTKHTFI-VOBJUBJWSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240792 388637578 /nfs/dbraw/zinc/63/75/78/388637578.db2.gz NVNYPRPDQIVRCI-YPMHNXCESA-N 3 1 241.379 0.424 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000246490056 388639553 /nfs/dbraw/zinc/63/95/53/388639553.db2.gz PFISQAIHJLOXSU-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000328470465 388643516 /nfs/dbraw/zinc/64/35/16/388643516.db2.gz ZLLYANTYAMAKSZ-NWDGAFQWSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000328470465 388643518 /nfs/dbraw/zinc/64/35/18/388643518.db2.gz ZLLYANTYAMAKSZ-NWDGAFQWSA-N 2 1 242.363 0.599 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000530345488 388651193 /nfs/dbraw/zinc/65/11/93/388651193.db2.gz MUYWNGKYBWTBRJ-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000552369817 388697853 /nfs/dbraw/zinc/69/78/53/388697853.db2.gz HBVFLKOMFLDUIQ-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000522146677 388705254 /nfs/dbraw/zinc/70/52/54/388705254.db2.gz SERVIIDAOHIRNQ-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522248417 388733696 /nfs/dbraw/zinc/73/36/96/388733696.db2.gz GIIPHDBRUGXHTN-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000522248417 388733698 /nfs/dbraw/zinc/73/36/98/388733698.db2.gz GIIPHDBRUGXHTN-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000522248417 388733699 /nfs/dbraw/zinc/73/36/99/388733699.db2.gz GIIPHDBRUGXHTN-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229602643 388796608 /nfs/dbraw/zinc/79/66/08/388796608.db2.gz FDINCDHGFSZXJZ-AXFHLTTASA-N 2 1 200.326 0.951 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)C[C@@H]1C ZINC000539719201 388772352 /nfs/dbraw/zinc/77/23/52/388772352.db2.gz PLPOUKIMAULKGI-XQQFMLRXSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COC)C[C@@H]1C ZINC000539719201 388772354 /nfs/dbraw/zinc/77/23/54/388772354.db2.gz PLPOUKIMAULKGI-XQQFMLRXSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C[C@@H]1C ZINC000539719201 388772356 /nfs/dbraw/zinc/77/23/56/388772356.db2.gz PLPOUKIMAULKGI-XQQFMLRXSA-N 2 1 244.379 0.798 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004759 388782147 /nfs/dbraw/zinc/78/21/47/388782147.db2.gz YLKAXBFMLBDGEG-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000129372404 388835040 /nfs/dbraw/zinc/83/50/40/388835040.db2.gz OGAXMHBRBTWGMZ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)CC[N@H+]1C ZINC000129662123 388863123 /nfs/dbraw/zinc/86/31/23/388863123.db2.gz OYTGZFIXSMDBGO-NEPJUHHUSA-N 2 1 222.336 0.955 20 0 BCADMP c1c[nH+]c(N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC000556065498 388865497 /nfs/dbraw/zinc/86/54/97/388865497.db2.gz HSJQMHAFBYKPKJ-NSHDSACASA-N 2 1 236.319 0.568 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523662592 388849965 /nfs/dbraw/zinc/84/99/65/388849965.db2.gz XBFJLAIMWRXYPZ-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CN(C(=O)Cn1ccnc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000564643237 388882032 /nfs/dbraw/zinc/88/20/32/388882032.db2.gz MGEUPIPOEFDSIU-LBPRGKRZSA-N 2 1 248.330 0.578 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000564845052 388892697 /nfs/dbraw/zinc/89/26/97/388892697.db2.gz QXFZPWWDMLSOGL-ZYHUDNBSSA-N 2 1 241.335 0.425 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855795 388893811 /nfs/dbraw/zinc/89/38/11/388893811.db2.gz FASMXVULPJBQAX-CMPLNLGQSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855795 388893812 /nfs/dbraw/zinc/89/38/12/388893812.db2.gz FASMXVULPJBQAX-CMPLNLGQSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000564957544 388901042 /nfs/dbraw/zinc/90/10/42/388901042.db2.gz VIUDGIRCUPINMY-SSDOTTSWSA-N 2 1 242.348 0.459 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000564459214 388875807 /nfs/dbraw/zinc/87/58/07/388875807.db2.gz QIGRNJACCCSLGY-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCO[C@H](C)C1 ZINC000564459213 388876296 /nfs/dbraw/zinc/87/62/96/388876296.db2.gz QIGRNJACCCSLGY-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564994149 388906591 /nfs/dbraw/zinc/90/65/91/388906591.db2.gz NNLHJLDZCQHOGT-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565150894 388916787 /nfs/dbraw/zinc/91/67/87/388916787.db2.gz MLEFNPWOPKTYRY-RKDXNWHRSA-N 2 1 247.289 0.038 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918822 /nfs/dbraw/zinc/91/88/22/388918822.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918830 /nfs/dbraw/zinc/91/88/30/388918830.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918841 /nfs/dbraw/zinc/91/88/41/388918841.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918826 /nfs/dbraw/zinc/91/88/26/388918826.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918834 /nfs/dbraw/zinc/91/88/34/388918834.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918837 /nfs/dbraw/zinc/91/88/37/388918837.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918845 /nfs/dbraw/zinc/91/88/45/388918845.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565233680 388924860 /nfs/dbraw/zinc/92/48/60/388924860.db2.gz OJNHYPCGUDIDPF-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC2(C1)CCOCC2 ZINC000565224678 388927902 /nfs/dbraw/zinc/92/79/02/388927902.db2.gz MJYLHVRZJZAGHS-LBPRGKRZSA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565234690 388930033 /nfs/dbraw/zinc/93/00/33/388930033.db2.gz XEWDKORZHBFPGX-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000566017591 388982936 /nfs/dbraw/zinc/98/29/36/388982936.db2.gz DPQRCAQNPUMQMW-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000566017591 388982941 /nfs/dbraw/zinc/98/29/41/388982941.db2.gz DPQRCAQNPUMQMW-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000566017591 388982944 /nfs/dbraw/zinc/98/29/44/388982944.db2.gz DPQRCAQNPUMQMW-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000566017591 388982939 /nfs/dbraw/zinc/98/29/39/388982939.db2.gz DPQRCAQNPUMQMW-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236874720 169707589 /nfs/dbraw/zinc/70/75/89/169707589.db2.gz HIVPROXZAQFOSF-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000375656528 132288355 /nfs/dbraw/zinc/28/83/55/132288355.db2.gz QYDXDOKVOBKVPJ-LBPRGKRZSA-N 2 1 233.315 0.911 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000375656528 132288357 /nfs/dbraw/zinc/28/83/57/132288357.db2.gz QYDXDOKVOBKVPJ-LBPRGKRZSA-N 2 1 233.315 0.911 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167516907 134000767 /nfs/dbraw/zinc/00/07/67/134000767.db2.gz IUXYTMNLPSZOGO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000336005307 134049027 /nfs/dbraw/zinc/04/90/27/134049027.db2.gz OWNLYDIOYYJQTA-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000336212038 134134626 /nfs/dbraw/zinc/13/46/26/134134626.db2.gz CYZUUWQNWXOCQV-NEPJUHHUSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000336212044 134134688 /nfs/dbraw/zinc/13/46/88/134134688.db2.gz CYZUUWQNWXOCQV-VXGBXAGGSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000336212381 134135006 /nfs/dbraw/zinc/13/50/06/134135006.db2.gz SGGPTKKFZYMXLX-LLVKDONJSA-N 2 1 243.326 0.418 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000336213114 134135636 /nfs/dbraw/zinc/13/56/36/134135636.db2.gz CVVVXOIPVGCNDZ-NXEZZACHSA-N 2 1 237.347 0.609 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000167774246 134154071 /nfs/dbraw/zinc/15/40/71/134154071.db2.gz LFUUXVZTXTZPRF-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000167774246 134154072 /nfs/dbraw/zinc/15/40/72/134154072.db2.gz LFUUXVZTXTZPRF-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168557911 134226372 /nfs/dbraw/zinc/22/63/72/134226372.db2.gz PHDPTLVYRZWAPU-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000168561556 134226683 /nfs/dbraw/zinc/22/66/83/134226683.db2.gz DVDOPQNUPWRGKE-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000168561556 134226684 /nfs/dbraw/zinc/22/66/84/134226684.db2.gz DVDOPQNUPWRGKE-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000168928926 134248431 /nfs/dbraw/zinc/24/84/31/134248431.db2.gz IYHHZVCEUGEVAL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nn1 ZINC000219556252 134285115 /nfs/dbraw/zinc/28/51/15/134285115.db2.gz MLZBFBZDDYIEEL-CYBMUJFWSA-N 2 1 249.362 0.779 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219974191 134295884 /nfs/dbraw/zinc/29/58/84/134295884.db2.gz IFAQTJTUTXXUCU-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747479 134310918 /nfs/dbraw/zinc/31/09/18/134310918.db2.gz ZYWYIHQFVNHRIW-SECBINFHSA-N 2 1 211.309 0.030 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972919 134314071 /nfs/dbraw/zinc/31/40/71/134314071.db2.gz ZVHBIKAAPOKPNQ-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP COC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178974128 134314221 /nfs/dbraw/zinc/31/42/21/134314221.db2.gz PRZKMNJRGMJFRS-LBPRGKRZSA-N 2 1 228.336 0.333 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)[C@H](C)C1 ZINC000178814062 134315439 /nfs/dbraw/zinc/31/54/39/134315439.db2.gz JECQIJLBTFMYMS-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867237 134316014 /nfs/dbraw/zinc/31/60/14/134316014.db2.gz AEDKBIUBNWOWIL-VGMNWLOBSA-N 2 1 211.309 0.075 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CCC[NH3+])C[N@H+]1C1CC1 ZINC000178867489 134316070 /nfs/dbraw/zinc/31/60/70/134316070.db2.gz KDNRQSQPUVZHGU-ZJUUUORDSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000223219482 134337922 /nfs/dbraw/zinc/33/79/22/134337922.db2.gz PLIORIFTLVROHZ-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000224044776 134344399 /nfs/dbraw/zinc/34/43/99/134344399.db2.gz MAJFXMKLOKIFJY-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389415 134364960 /nfs/dbraw/zinc/36/49/60/134364960.db2.gz CFNOIKPKFIQRCT-SNVBAGLBSA-N 2 1 245.392 0.279 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000227737263 134385545 /nfs/dbraw/zinc/38/55/45/134385545.db2.gz BQVNWMZWEVQBEB-QWRGUYRKSA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000227737263 134385546 /nfs/dbraw/zinc/38/55/46/134385546.db2.gz BQVNWMZWEVQBEB-QWRGUYRKSA-N 2 1 229.368 0.768 20 0 BCADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000227747485 134392214 /nfs/dbraw/zinc/39/22/14/134392214.db2.gz DJMFCLUBVBEXPZ-SECBINFHSA-N 2 1 202.298 0.609 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644691 134851704 /nfs/dbraw/zinc/85/17/04/134851704.db2.gz XQBUICQYOXCWRF-YYJSSNLHSA-N 3 1 211.353 0.986 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250346535 135052602 /nfs/dbraw/zinc/05/26/02/135052602.db2.gz PZERZKBBEFDZJS-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358577 135052639 /nfs/dbraw/zinc/05/26/39/135052639.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358577 135052641 /nfs/dbraw/zinc/05/26/41/135052641.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358577 135052644 /nfs/dbraw/zinc/05/26/44/135052644.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251072337 135062199 /nfs/dbraw/zinc/06/21/99/135062199.db2.gz FSORNWBJNQZQAA-TUAOUCFPSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000251646527 135073209 /nfs/dbraw/zinc/07/32/09/135073209.db2.gz GEIDDZKMQLSEPV-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000251646527 135073210 /nfs/dbraw/zinc/07/32/10/135073210.db2.gz GEIDDZKMQLSEPV-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251704136 135074222 /nfs/dbraw/zinc/07/42/22/135074222.db2.gz JASUVJIQZNIHFT-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1CN(C)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251863129 135080389 /nfs/dbraw/zinc/08/03/89/135080389.db2.gz SRCRPHLQRLQJJG-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP CC[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000086435398 135084039 /nfs/dbraw/zinc/08/40/39/135084039.db2.gz SHGMHZUQWOYZJZ-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000086435398 135084040 /nfs/dbraw/zinc/08/40/40/135084040.db2.gz SHGMHZUQWOYZJZ-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP COC(=O)CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638426 135092032 /nfs/dbraw/zinc/09/20/32/135092032.db2.gz IJLKTEVGOYNHEV-UHFFFAOYSA-N 2 1 216.325 0.856 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252639465 135092989 /nfs/dbraw/zinc/09/29/89/135092989.db2.gz JXKAFVKRFKGZIE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702781 135095418 /nfs/dbraw/zinc/09/54/18/135095418.db2.gz OFLIWIDXKZUPQG-JTQLQIEISA-N 2 1 228.336 0.727 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698183 135098044 /nfs/dbraw/zinc/09/80/44/135098044.db2.gz LMYACUBMOAPZPS-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000252709084 135098497 /nfs/dbraw/zinc/09/84/97/135098497.db2.gz BYAJVTYHQJETNV-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252727052 135102314 /nfs/dbraw/zinc/10/23/14/135102314.db2.gz OHAYBIBSMIOKSK-ZRUFSTJUSA-N 2 1 227.352 0.569 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000252716873 135102648 /nfs/dbraw/zinc/10/26/48/135102648.db2.gz ZKQYYUMJLGCYKI-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000252777394 135108275 /nfs/dbraw/zinc/10/82/75/135108275.db2.gz OTWOFXRTKHIRNT-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000252777394 135108276 /nfs/dbraw/zinc/10/82/76/135108276.db2.gz OTWOFXRTKHIRNT-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000261774734 135111246 /nfs/dbraw/zinc/11/12/46/135111246.db2.gz JBNYFUXCLHTDOX-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP c1cn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252856006 135114132 /nfs/dbraw/zinc/11/41/32/135114132.db2.gz KNMWYYHRIHHEKP-STQMWFEESA-N 2 1 249.362 0.885 20 0 BCADMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOC1 ZINC000252860073 135114280 /nfs/dbraw/zinc/11/42/80/135114280.db2.gz NQTRJQNIMDKNRJ-UPJWGTAASA-N 2 1 242.363 0.864 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257764748 135141313 /nfs/dbraw/zinc/14/13/13/135141313.db2.gz ZAAZEKDLPIQTJR-CYBMUJFWSA-N 2 1 249.362 0.198 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000261137001 135149661 /nfs/dbraw/zinc/14/96/61/135149661.db2.gz MUSKSKARQUYYDX-JTQLQIEISA-N 2 1 214.309 0.433 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000261137001 135149662 /nfs/dbraw/zinc/14/96/62/135149662.db2.gz MUSKSKARQUYYDX-JTQLQIEISA-N 2 1 214.309 0.433 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261545764 135151112 /nfs/dbraw/zinc/15/11/12/135151112.db2.gz KJBFMBFCAJKYIX-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+]1CCN(CC[NH3+])C2(CCCCC2)C1 ZINC000261530837 135159030 /nfs/dbraw/zinc/15/90/30/135159030.db2.gz DGQMWUKQTDHTPP-UHFFFAOYSA-N 2 1 211.353 0.895 20 0 BCADMP C[N@H+](Cc1cc[nH]n1)CC1CC[NH2+]CC1 ZINC000261531223 135159558 /nfs/dbraw/zinc/15/95/58/135159558.db2.gz FSGVMOYSTVYBMT-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000087647880 135161391 /nfs/dbraw/zinc/16/13/91/135161391.db2.gz CIMGCWGBTFIFHF-ACJTYDJDSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261532384 135162522 /nfs/dbraw/zinc/16/25/22/135162522.db2.gz AHXWJBYBLMTZPR-ZYHUDNBSSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261532384 135162524 /nfs/dbraw/zinc/16/25/24/135162524.db2.gz AHXWJBYBLMTZPR-ZYHUDNBSSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261535023 135168814 /nfs/dbraw/zinc/16/88/14/135168814.db2.gz VUNBLXXOWZGTSM-PWSUYJOCSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261535023 135168816 /nfs/dbraw/zinc/16/88/16/135168816.db2.gz VUNBLXXOWZGTSM-PWSUYJOCSA-N 2 1 227.352 0.666 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261535263 135169676 /nfs/dbraw/zinc/16/96/76/135169676.db2.gz XKSMTIDRQDKNKH-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000261536304 135171364 /nfs/dbraw/zinc/17/13/64/135171364.db2.gz REQCWXWOZUWGGD-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261539408 135177961 /nfs/dbraw/zinc/17/79/61/135177961.db2.gz CJEBIWOCJAECFI-PHIMTYICSA-N 2 1 206.293 0.369 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261539408 135177963 /nfs/dbraw/zinc/17/79/63/135177963.db2.gz CJEBIWOCJAECFI-PHIMTYICSA-N 2 1 206.293 0.369 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000261540027 135178527 /nfs/dbraw/zinc/17/85/27/135178527.db2.gz DOXOXQHWPVTPMW-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541068 135181121 /nfs/dbraw/zinc/18/11/21/135181121.db2.gz JECWZALUGMHDSD-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541096 135181272 /nfs/dbraw/zinc/18/12/72/135181272.db2.gz FNCPZKSOUQIKRX-MNOVXSKESA-N 2 1 210.321 0.443 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261543524 135184792 /nfs/dbraw/zinc/18/47/92/135184792.db2.gz UBAFHKCJHYXIAS-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261543524 135184793 /nfs/dbraw/zinc/18/47/93/135184793.db2.gz UBAFHKCJHYXIAS-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CCOCC[NH3+])CC[C@H]1CCCC[N@H+]1C ZINC000261553834 135193420 /nfs/dbraw/zinc/19/34/20/135193420.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 2 1 243.395 0.768 20 0 BCADMP C[N@H+](CCOCC[NH3+])CC[C@H]1CCCC[NH+]1C ZINC000261553834 135193422 /nfs/dbraw/zinc/19/34/22/135193422.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 3 1 243.395 0.768 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCCC[NH+]1C ZINC000261553834 135193424 /nfs/dbraw/zinc/19/34/24/135193424.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 3 1 243.395 0.768 20 0 BCADMP C[NH+](CCOCC[NH3+])CC[C@H]1CCCC[N@@H+]1C ZINC000261553834 135193425 /nfs/dbraw/zinc/19/34/25/135193425.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 3 1 243.395 0.768 20 0 BCADMP C[NH+](CCOCC[NH3+])CC[C@H]1CCCC[N@H+]1C ZINC000261553834 135193427 /nfs/dbraw/zinc/19/34/27/135193427.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 3 1 243.395 0.768 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261556708 135196824 /nfs/dbraw/zinc/19/68/24/135196824.db2.gz QVXQLNDCHOXNAA-WCQYABFASA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261556708 135196825 /nfs/dbraw/zinc/19/68/25/135196825.db2.gz QVXQLNDCHOXNAA-WCQYABFASA-N 2 1 241.379 0.818 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561177 135202213 /nfs/dbraw/zinc/20/22/13/135202213.db2.gz AKWYJFLOKNJHKW-NEPJUHHUSA-N 2 1 228.336 0.191 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564471 135205697 /nfs/dbraw/zinc/20/56/97/135205697.db2.gz CPMCWOGMLSLTQZ-NWDGAFQWSA-N 2 1 220.320 0.567 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564471 135205699 /nfs/dbraw/zinc/20/56/99/135205699.db2.gz CPMCWOGMLSLTQZ-NWDGAFQWSA-N 2 1 220.320 0.567 20 0 BCADMP CNC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261568703 135210389 /nfs/dbraw/zinc/21/03/89/135210389.db2.gz FTGKJBJRTFUAIY-UHFFFAOYSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000164123280 135212743 /nfs/dbraw/zinc/21/27/43/135212743.db2.gz RRKHONOHMNEOPY-SDDRHHMPSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000164123280 135212745 /nfs/dbraw/zinc/21/27/45/135212745.db2.gz RRKHONOHMNEOPY-SDDRHHMPSA-N 2 1 237.351 0.739 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084383166 135216742 /nfs/dbraw/zinc/21/67/42/135216742.db2.gz XAMNHHXINAZCFZ-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227749 135216965 /nfs/dbraw/zinc/21/69/65/135216965.db2.gz QAKWGDWYLJOSCB-CMPLNLGQSA-N 2 1 237.347 0.149 20 0 BCADMP Cn1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000261576727 135218774 /nfs/dbraw/zinc/21/87/74/135218774.db2.gz NWDVCHOORJYAEY-CYBMUJFWSA-N 2 1 249.362 0.779 20 0 BCADMP CCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261581681 135222684 /nfs/dbraw/zinc/22/26/84/135222684.db2.gz NQFAETAVYSFMNH-UHFFFAOYSA-N 2 1 225.336 0.198 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261582306 135223545 /nfs/dbraw/zinc/22/35/45/135223545.db2.gz ODEPKXAVMYKBBS-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261582306 135223546 /nfs/dbraw/zinc/22/35/46/135223546.db2.gz ODEPKXAVMYKBBS-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC(F)F ZINC000261583275 135224344 /nfs/dbraw/zinc/22/43/44/135224344.db2.gz OWYYJVTVRPYXHO-RKDXNWHRSA-N 2 1 222.279 0.937 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261584338 135224916 /nfs/dbraw/zinc/22/49/16/135224916.db2.gz PRJJMQSXTCHPBO-NEPJUHHUSA-N 2 1 220.320 0.424 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261584338 135224918 /nfs/dbraw/zinc/22/49/18/135224918.db2.gz PRJJMQSXTCHPBO-NEPJUHHUSA-N 2 1 220.320 0.424 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380743 135225391 /nfs/dbraw/zinc/22/53/91/135225391.db2.gz VOLIIZQXENCANE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000261587033 135228478 /nfs/dbraw/zinc/22/84/78/135228478.db2.gz ROIRNQGLVYZCBK-RKDXNWHRSA-N 2 1 214.309 0.607 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000261587033 135228479 /nfs/dbraw/zinc/22/84/79/135228479.db2.gz ROIRNQGLVYZCBK-RKDXNWHRSA-N 2 1 214.309 0.607 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](CCOCC(F)F)C1 ZINC000261588390 135229326 /nfs/dbraw/zinc/22/93/26/135229326.db2.gz SIUIEPCMWBMBOB-JTQLQIEISA-N 2 1 222.279 0.939 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOCC(F)F)C1 ZINC000261588390 135229327 /nfs/dbraw/zinc/22/93/27/135229327.db2.gz SIUIEPCMWBMBOB-JTQLQIEISA-N 2 1 222.279 0.939 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000261591717 135231907 /nfs/dbraw/zinc/23/19/07/135231907.db2.gz VNJQJRPWCQTUTM-GFCCVEGCSA-N 2 1 211.353 0.655 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(CC(N)=O)CC1 ZINC000261591688 135232205 /nfs/dbraw/zinc/23/22/05/135232205.db2.gz VMFFSLGADZLAGR-UHFFFAOYSA-N 2 1 213.325 0.311 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261594964 135235364 /nfs/dbraw/zinc/23/53/64/135235364.db2.gz XWKAYKPPLMMOSQ-AXFHLTTASA-N 3 1 211.353 0.783 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261594964 135235365 /nfs/dbraw/zinc/23/53/65/135235365.db2.gz XWKAYKPPLMMOSQ-AXFHLTTASA-N 3 1 211.353 0.783 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261597527 135236797 /nfs/dbraw/zinc/23/67/97/135236797.db2.gz ZEMRZGKWEQUHJS-QWRGUYRKSA-N 2 1 223.324 0.337 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261677606 135245126 /nfs/dbraw/zinc/24/51/26/135245126.db2.gz GQBDEYSWKKLFNO-PWSUYJOCSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687603 135246055 /nfs/dbraw/zinc/24/60/55/135246055.db2.gz AQLOHXXXPTZXNY-CMPLNLGQSA-N 2 1 225.336 0.183 20 0 BCADMP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261700428 135246494 /nfs/dbraw/zinc/24/64/94/135246494.db2.gz LLGQFHPWPWMOGV-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@]1(C[N@@H+]2CCCN(C(N)=O)CC2)CC[NH2+]C1 ZINC000261705569 135246503 /nfs/dbraw/zinc/24/65/03/135246503.db2.gz CZEGYBJQBFGIIL-LBPRGKRZSA-N 2 1 240.351 0.072 20 0 BCADMP C[C@]1(C[N@H+]2CCCN(C(N)=O)CC2)CC[NH2+]C1 ZINC000261705569 135246504 /nfs/dbraw/zinc/24/65/04/135246504.db2.gz CZEGYBJQBFGIIL-LBPRGKRZSA-N 2 1 240.351 0.072 20 0 BCADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC1=O ZINC000261729077 135248573 /nfs/dbraw/zinc/24/85/73/135248573.db2.gz KCTNTJCKSALJKJ-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000261774736 135251952 /nfs/dbraw/zinc/25/19/52/135251952.db2.gz JBNYFUXCLHTDOX-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H]2CCC[NH2+]2)[nH+]1 ZINC000261809030 135254420 /nfs/dbraw/zinc/25/44/20/135254420.db2.gz WRMMFHBSLWQXLU-LLVKDONJSA-N 2 1 248.330 0.670 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000261830885 135256453 /nfs/dbraw/zinc/25/64/53/135256453.db2.gz NDMSVVJZWIYGER-DCAQKATOSA-N 2 1 227.352 0.665 20 0 BCADMP NC1(c2noc(CCn3ccnc3)n2)CCC1 ZINC000261859018 135258087 /nfs/dbraw/zinc/25/80/87/135258087.db2.gz UEELRYZMYOVNJO-UHFFFAOYSA-N 2 1 233.275 0.847 20 0 BCADMP C[C@@]1(C[N@@H+]2CCN3CCOC[C@H]3C2)CC[NH2+]C1 ZINC000261877455 135259368 /nfs/dbraw/zinc/25/93/68/135259368.db2.gz QEYZISZHTPMUCL-CHWSQXEVSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@@]1(C[N@H+]2CCN3CCOC[C@H]3C2)CC[NH2+]C1 ZINC000261877455 135259369 /nfs/dbraw/zinc/25/93/69/135259369.db2.gz QEYZISZHTPMUCL-CHWSQXEVSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880736 135259704 /nfs/dbraw/zinc/25/97/04/135259704.db2.gz QVNVSAPOYJOOKP-OLZOCXBDSA-N 2 1 237.347 0.198 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[C@H](C)[NH3+] ZINC000261898657 135260668 /nfs/dbraw/zinc/26/06/68/135260668.db2.gz UVENNRBTZBHIBE-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261909731 135261720 /nfs/dbraw/zinc/26/17/20/135261720.db2.gz GKRUBNJKGRRDBJ-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261903344 135261738 /nfs/dbraw/zinc/26/17/38/135261738.db2.gz VIGAFRBUFCEZGI-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261903339 135261887 /nfs/dbraw/zinc/26/18/87/135261887.db2.gz VIGAFRBUFCEZGI-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCOCCOCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261943949 135265242 /nfs/dbraw/zinc/26/52/42/135265242.db2.gz NCUSUXFDJGXQLZ-UHFFFAOYSA-N 2 1 244.379 0.971 20 0 BCADMP C[C@]1(C[N@H+]2CCSC[C@@H]2CCO)CC[NH2+]C1 ZINC000261986607 135269371 /nfs/dbraw/zinc/26/93/71/135269371.db2.gz JTNDUOPDFVIFNV-RYUDHWBXSA-N 2 1 244.404 0.786 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000262009208 135272078 /nfs/dbraw/zinc/27/20/78/135272078.db2.gz MCQSSJYRVAQOIZ-ZDUSSCGKSA-N 2 1 234.347 0.951 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000262009208 135272079 /nfs/dbraw/zinc/27/20/79/135272079.db2.gz MCQSSJYRVAQOIZ-ZDUSSCGKSA-N 2 1 234.347 0.951 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075432 135277539 /nfs/dbraw/zinc/27/75/39/135277539.db2.gz SODZOHCUBWVQPD-WCQYABFASA-N 2 1 239.363 0.573 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262103457 135278733 /nfs/dbraw/zinc/27/87/33/135278733.db2.gz VTVPMJQKZFYQEK-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262103457 135278735 /nfs/dbraw/zinc/27/87/35/135278735.db2.gz VTVPMJQKZFYQEK-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000262143894 135281442 /nfs/dbraw/zinc/28/14/42/135281442.db2.gz FGZPVUYWXSYMBT-UHFFFAOYSA-N 2 1 235.335 0.402 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000262143894 135281443 /nfs/dbraw/zinc/28/14/43/135281443.db2.gz FGZPVUYWXSYMBT-UHFFFAOYSA-N 2 1 235.335 0.402 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000262266000 135288626 /nfs/dbraw/zinc/28/86/26/135288626.db2.gz SAZXZARKUQTRNP-KOLCDFICSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000262266001 135288949 /nfs/dbraw/zinc/28/89/49/135288949.db2.gz SAZXZARKUQTRNP-MWLCHTKSSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000262324750 135292759 /nfs/dbraw/zinc/29/27/59/135292759.db2.gz FWAIVMWWGMKDCD-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262321668 135293107 /nfs/dbraw/zinc/29/31/07/135293107.db2.gz FGSYRPWUKLAPDE-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)C[NH3+] ZINC000262322738 135293284 /nfs/dbraw/zinc/29/32/84/135293284.db2.gz FKAISXKLTYXEDR-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000262338327 135294044 /nfs/dbraw/zinc/29/40/44/135294044.db2.gz HOMLMPPIGYMTLL-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000342637659 135299356 /nfs/dbraw/zinc/29/93/56/135299356.db2.gz BQOJZUOKZTZBHW-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP C[NH+](C)[C@@]1(CNC2=[NH+]CCCN2)CCSC1 ZINC000262469977 135301245 /nfs/dbraw/zinc/30/12/45/135301245.db2.gz ONZLUFZRFHTBDM-LLVKDONJSA-N 2 1 242.392 0.363 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582702 135307154 /nfs/dbraw/zinc/30/71/54/135307154.db2.gz QMJSPNDDDIDYFR-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342721117 135314359 /nfs/dbraw/zinc/31/43/59/135314359.db2.gz SPPSKXSWYLMGPP-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262923495 135324392 /nfs/dbraw/zinc/32/43/92/135324392.db2.gz ZOIWBRLJZLNQRJ-GHMZBOCLSA-N 2 1 227.352 0.441 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293774 135345193 /nfs/dbraw/zinc/34/51/93/135345193.db2.gz MAJMXLGDRTYKQN-NEPJUHHUSA-N 2 1 237.347 0.291 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335251170 135984188 /nfs/dbraw/zinc/98/41/88/135984188.db2.gz AJKZROQNAGVMED-OKILXGFUSA-N 3 1 237.391 0.917 20 0 BCADMP CCN(C)C[C@H]1CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010782 /nfs/dbraw/zinc/01/07/82/136010782.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CCN(C)C[C@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010783 /nfs/dbraw/zinc/01/07/83/136010783.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010784 /nfs/dbraw/zinc/01/07/84/136010784.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010785 /nfs/dbraw/zinc/01/07/85/136010785.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010786 /nfs/dbraw/zinc/01/07/86/136010786.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743371 136010787 /nfs/dbraw/zinc/01/07/87/136010787.db2.gz FVCBNIJEMPTNBY-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000335301371 136020494 /nfs/dbraw/zinc/02/04/94/136020494.db2.gz OFSVXGCYZNBDSG-WDEREUQCSA-N 2 1 240.351 0.071 20 0 BCADMP CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000348062519 136024640 /nfs/dbraw/zinc/02/46/40/136024640.db2.gz KMOCVSLWZTYSBK-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000348062519 136024641 /nfs/dbraw/zinc/02/46/41/136024641.db2.gz KMOCVSLWZTYSBK-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335308988 136028243 /nfs/dbraw/zinc/02/82/43/136028243.db2.gz RXHOMTNLHPLAMM-CMPLNLGQSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H](C)[NH+](C)C ZINC000166109323 136058506 /nfs/dbraw/zinc/05/85/06/136058506.db2.gz KFXDQKCVANXEOB-UTUOFQBUSA-N 2 1 229.368 0.293 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000335341157 136063835 /nfs/dbraw/zinc/06/38/35/136063835.db2.gz FLDCBQRYGDJCER-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554048 136098689 /nfs/dbraw/zinc/09/86/89/136098689.db2.gz AGXRNHOPAMAFPI-MWLCHTKSSA-N 2 1 237.347 0.195 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH3+] ZINC000335562678 136106595 /nfs/dbraw/zinc/10/65/95/136106595.db2.gz KNFHWIPQDVFQMY-GHMZBOCLSA-N 2 1 227.352 0.380 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000257708814 397826685 /nfs/dbraw/zinc/82/66/85/397826685.db2.gz QFIMTYAEKMKSFF-QJPTWQEYSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000309556259 397862794 /nfs/dbraw/zinc/86/27/94/397862794.db2.gz JUAMCINGRGSIJL-SRVKXCTJSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000309556259 397862797 /nfs/dbraw/zinc/86/27/97/397862797.db2.gz JUAMCINGRGSIJL-SRVKXCTJSA-N 2 1 228.336 0.068 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NCC[N@@H+](C)C1CC1 ZINC000264670065 397922030 /nfs/dbraw/zinc/92/20/30/397922030.db2.gz YDWRCUQPQINQEW-SNAWJCMRSA-N 2 1 225.336 0.315 20 0 BCADMP CC[N@@H+](CCC[NH2+]C)C[C@H]1CCOC1 ZINC000389910197 397997909 /nfs/dbraw/zinc/99/79/09/397997909.db2.gz ITQVCVBRRLLSKH-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953195 398010553 /nfs/dbraw/zinc/01/05/53/398010553.db2.gz HXUDMWLNGLACRR-NSHDSACASA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000383759328 398036521 /nfs/dbraw/zinc/03/65/21/398036521.db2.gz LECDEZXKLIMUDQ-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000383759328 398036525 /nfs/dbraw/zinc/03/65/25/398036525.db2.gz LECDEZXKLIMUDQ-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)(C)C[N@@H+](CCCO)CCOCC[NH3+] ZINC000357086423 397978951 /nfs/dbraw/zinc/97/89/51/397978951.db2.gz LUELGUPBOLGANC-UHFFFAOYSA-N 2 1 232.368 0.692 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000649596763 397984927 /nfs/dbraw/zinc/98/49/27/397984927.db2.gz GNYDJEZDYSBSBX-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000649596763 397984929 /nfs/dbraw/zinc/98/49/29/397984929.db2.gz GNYDJEZDYSBSBX-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062953 /nfs/dbraw/zinc/06/29/53/398062953.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062958 /nfs/dbraw/zinc/06/29/58/398062958.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062965 /nfs/dbraw/zinc/06/29/65/398062965.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCc1cncn1C ZINC000649764814 398092712 /nfs/dbraw/zinc/09/27/12/398092712.db2.gz QKOFTKPFTHNLSI-VXGBXAGGSA-N 2 1 239.319 0.044 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071700 398064851 /nfs/dbraw/zinc/06/48/51/398064851.db2.gz VKNDFBBUWWRYIL-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000491853676 398075547 /nfs/dbraw/zinc/07/55/47/398075547.db2.gz VVZUAUCIUAQZTK-BQYQJAHWSA-N 2 1 241.379 0.951 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649764065 398091370 /nfs/dbraw/zinc/09/13/70/398091370.db2.gz OWGQKZXPQYEZCO-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]C ZINC000647743987 398109691 /nfs/dbraw/zinc/10/96/91/398109691.db2.gz MFLNGIKSOWDLNK-SNVBAGLBSA-N 2 1 238.335 0.732 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000062010153 398110314 /nfs/dbraw/zinc/11/03/14/398110314.db2.gz CDDXQXXSFLLQPL-JTQLQIEISA-N 2 1 245.392 0.277 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000309203808 398114325 /nfs/dbraw/zinc/11/43/25/398114325.db2.gz CAXJHDXFJFXGAA-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000309203808 398114329 /nfs/dbraw/zinc/11/43/29/398114329.db2.gz CAXJHDXFJFXGAA-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000528767116 398126365 /nfs/dbraw/zinc/12/63/65/398126365.db2.gz LMLJNLWFPGNGSB-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000336711451 398134297 /nfs/dbraw/zinc/13/42/97/398134297.db2.gz RGLQRHNSQVYEPL-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000336711451 398134299 /nfs/dbraw/zinc/13/42/99/398134299.db2.gz RGLQRHNSQVYEPL-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250768756 167050366 /nfs/dbraw/zinc/05/03/66/167050366.db2.gz SDNONRDWZXDJLL-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250768756 167050368 /nfs/dbraw/zinc/05/03/68/167050368.db2.gz SDNONRDWZXDJLL-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594467 167050712 /nfs/dbraw/zinc/05/07/12/167050712.db2.gz XIANVNNJZMQTHI-NSHDSACASA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594467 167050716 /nfs/dbraw/zinc/05/07/16/167050716.db2.gz XIANVNNJZMQTHI-NSHDSACASA-N 2 1 227.352 0.714 20 0 BCADMP COCCOCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126709081 174351865 /nfs/dbraw/zinc/35/18/65/174351865.db2.gz ZIQWGGAGCZICJK-LLVKDONJSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126709081 174351866 /nfs/dbraw/zinc/35/18/66/174351866.db2.gz ZIQWGGAGCZICJK-LLVKDONJSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CCC[N@@H+](C)CC1 ZINC000037480122 167099674 /nfs/dbraw/zinc/09/96/74/167099674.db2.gz NSURADWMKUPITA-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000086853121 487569971 /nfs/dbraw/zinc/56/99/71/487569971.db2.gz GFPQOIYXVNKUQC-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020419998 487574736 /nfs/dbraw/zinc/57/47/36/487574736.db2.gz PCPDZFIERRQRGP-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020419998 487574739 /nfs/dbraw/zinc/57/47/39/487574739.db2.gz PCPDZFIERRQRGP-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020419997 487574603 /nfs/dbraw/zinc/57/46/03/487574603.db2.gz ULZXPQFIRFXUAR-JTQLQIEISA-N 2 1 215.341 0.524 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020419997 487574606 /nfs/dbraw/zinc/57/46/06/487574606.db2.gz ULZXPQFIRFXUAR-JTQLQIEISA-N 2 1 215.341 0.524 20 0 BCADMP CC(C)OCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308895829 167217279 /nfs/dbraw/zinc/21/72/79/167217279.db2.gz ZHWBIUXUBRWPAG-TXEJJXNPSA-N 2 1 212.337 0.953 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662264486 409559290 /nfs/dbraw/zinc/55/92/90/409559290.db2.gz DORUCWICSIDDHN-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662264486 409559299 /nfs/dbraw/zinc/55/92/99/409559299.db2.gz DORUCWICSIDDHN-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)OC ZINC000662266259 409563697 /nfs/dbraw/zinc/56/36/97/409563697.db2.gz LAFZUYMLVBAFOA-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000662248348 409545030 /nfs/dbraw/zinc/54/50/30/409545030.db2.gz ZULKSRPOJSOXGX-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000662248348 409545043 /nfs/dbraw/zinc/54/50/43/409545043.db2.gz ZULKSRPOJSOXGX-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662248349 409545325 /nfs/dbraw/zinc/54/53/25/409545325.db2.gz ZULKSRPOJSOXGX-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662248349 409545335 /nfs/dbraw/zinc/54/53/35/409545335.db2.gz ZULKSRPOJSOXGX-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CC=CC1 ZINC000662247563 409546550 /nfs/dbraw/zinc/54/65/50/409546550.db2.gz XSFWZOALCWEIKM-UHFFFAOYSA-N 2 1 223.364 0.790 20 0 BCADMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000662317751 409636315 /nfs/dbraw/zinc/63/63/15/409636315.db2.gz RRUMSSJTRYSIEW-JTQLQIEISA-N 2 1 228.340 0.023 20 0 BCADMP COC[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])OC ZINC000662272858 409578568 /nfs/dbraw/zinc/57/85/68/409578568.db2.gz JLVUFVMEWAWHHN-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)OC ZINC000662283078 409606397 /nfs/dbraw/zinc/60/63/97/409606397.db2.gz KJJLTYBDXCKJIM-RNJOBUHISA-N 2 1 244.379 0.953 20 0 BCADMP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+](C)C ZINC000653112970 409821224 /nfs/dbraw/zinc/82/12/24/409821224.db2.gz OLBRDEKCWIAGKH-ZETCQYMHSA-N 2 1 223.267 0.037 20 0 BCADMP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[NH+](C)C ZINC000653112969 409821809 /nfs/dbraw/zinc/82/18/09/409821809.db2.gz OLBRDEKCWIAGKH-SSDOTTSWSA-N 2 1 223.267 0.037 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000040624514 409825950 /nfs/dbraw/zinc/82/59/50/409825950.db2.gz NHLOCQSWZPDVNU-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000653134346 409852353 /nfs/dbraw/zinc/85/23/53/409852353.db2.gz WFFIIUALDOFNGB-BDAKNGLRSA-N 2 1 247.289 0.181 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000653133488 409852547 /nfs/dbraw/zinc/85/25/47/409852547.db2.gz MYALEWPESIJPPC-SFYZADRCSA-N 2 1 235.278 0.357 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703905 409853858 /nfs/dbraw/zinc/85/38/58/409853858.db2.gz QBWIZFGYHUQASL-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215297916 409908653 /nfs/dbraw/zinc/90/86/53/409908653.db2.gz UDJJRWIBLOXJGR-WCQYABFASA-N 2 1 239.363 0.729 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655350328 409922699 /nfs/dbraw/zinc/92/26/99/409922699.db2.gz IDWJYPCEFQANQE-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655350328 409922704 /nfs/dbraw/zinc/92/27/04/409922704.db2.gz IDWJYPCEFQANQE-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000226271858 487611172 /nfs/dbraw/zinc/61/11/72/487611172.db2.gz OPJPOVPPFLZNFQ-RHYQMDGZSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000226271858 487611174 /nfs/dbraw/zinc/61/11/74/487611174.db2.gz OPJPOVPPFLZNFQ-RHYQMDGZSA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO)C1CC1 ZINC000312878643 409953725 /nfs/dbraw/zinc/95/37/25/409953725.db2.gz VAMBIPPFMYASJR-KGYLQXTDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO)C1CC1 ZINC000312878643 409953731 /nfs/dbraw/zinc/95/37/31/409953731.db2.gz VAMBIPPFMYASJR-KGYLQXTDSA-N 2 1 242.363 0.192 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839039 409946424 /nfs/dbraw/zinc/94/64/24/409946424.db2.gz OUTFAHLIQAWXCU-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653176031 410152188 /nfs/dbraw/zinc/15/21/88/410152188.db2.gz ILPYLMMUWYSFLE-TXEJJXNPSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH3+] ZINC000653175938 410152675 /nfs/dbraw/zinc/15/26/75/410152675.db2.gz GODGEKCFCMJHAO-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)COCC[NH3+] ZINC000653175867 410152703 /nfs/dbraw/zinc/15/27/03/410152703.db2.gz DPYTXJAQEMUDID-UHFFFAOYSA-N 2 1 245.367 0.056 20 0 BCADMP C[NH2+]CCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176080 410152898 /nfs/dbraw/zinc/15/28/98/410152898.db2.gz JVZLPTBNEQKVAO-UHFFFAOYSA-N 2 1 229.368 0.690 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221066 410168933 /nfs/dbraw/zinc/16/89/33/410168933.db2.gz GEYHHDXUVQWXLA-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1C ZINC000653222942 410171060 /nfs/dbraw/zinc/17/10/60/410171060.db2.gz WFYUTWFXEMSZJR-GHMZBOCLSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000309198668 410268916 /nfs/dbraw/zinc/26/89/16/410268916.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000309198668 410268925 /nfs/dbraw/zinc/26/89/25/410268925.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000309198668 410268930 /nfs/dbraw/zinc/26/89/30/410268930.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000309198668 410268939 /nfs/dbraw/zinc/26/89/39/410268939.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000309198669 410269766 /nfs/dbraw/zinc/26/97/66/410269766.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000309198669 410269773 /nfs/dbraw/zinc/26/97/73/410269773.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000309198669 410269780 /nfs/dbraw/zinc/26/97/80/410269780.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000309198669 410269784 /nfs/dbraw/zinc/26/97/84/410269784.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CNC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663512626 410282691 /nfs/dbraw/zinc/28/26/91/410282691.db2.gz GVQQRLYRZZIEJZ-IRCOFANPSA-N 2 1 211.353 0.572 20 0 BCADMP C[N@H+](Cc1cccc2c1CCC2)C[C@@H](O)C[NH3+] ZINC000650704170 410334743 /nfs/dbraw/zinc/33/47/43/410334743.db2.gz LEYMWQPBOXRVPL-ZDUSSCGKSA-N 2 1 234.343 0.927 20 0 BCADMP CCO[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714458 410348066 /nfs/dbraw/zinc/34/80/66/410348066.db2.gz GJFMSKPNSDXSMO-JHJVBQTASA-N 3 1 241.379 0.282 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714458 410348072 /nfs/dbraw/zinc/34/80/72/410348072.db2.gz GJFMSKPNSDXSMO-JHJVBQTASA-N 3 1 241.379 0.282 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724766 410361318 /nfs/dbraw/zinc/36/13/18/410361318.db2.gz LXBQOUJTADYHNN-UPJWGTAASA-N 3 1 241.379 0.696 20 0 BCADMP C[C@@H](NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747665 410386873 /nfs/dbraw/zinc/38/68/73/410386873.db2.gz FKVWAQCYYNSSAQ-MNOVXSKESA-N 2 1 211.353 0.846 20 0 BCADMP C[C@H](NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747666 410387757 /nfs/dbraw/zinc/38/77/57/410387757.db2.gz FKVWAQCYYNSSAQ-QWRGUYRKSA-N 2 1 211.353 0.846 20 0 BCADMP Cn1cncc1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000314562880 410387973 /nfs/dbraw/zinc/38/79/73/410387973.db2.gz MAUZPUSCCOAJDK-LLVKDONJSA-N 2 1 223.320 0.667 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748506 410390756 /nfs/dbraw/zinc/39/07/56/410390756.db2.gz VLNYSNSIZBHPCM-WDEREUQCSA-N 3 1 211.353 0.703 20 0 BCADMP CC(C)([NH3+])CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000070087835 410590507 /nfs/dbraw/zinc/59/05/07/410590507.db2.gz UGYQHRSRQCTTKH-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248838 410731794 /nfs/dbraw/zinc/73/17/94/410731794.db2.gz DGASLIZPQNULPE-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665248838 410731800 /nfs/dbraw/zinc/73/18/00/410731800.db2.gz DGASLIZPQNULPE-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000665273899 410744040 /nfs/dbraw/zinc/74/40/40/410744040.db2.gz GKBULXNFVUWTKJ-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000393747819 410757752 /nfs/dbraw/zinc/75/77/52/410757752.db2.gz OGTUBEIUCJMTIK-IJLUTSLNSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000393747819 410757757 /nfs/dbraw/zinc/75/77/57/410757757.db2.gz OGTUBEIUCJMTIK-IJLUTSLNSA-N 2 1 212.337 0.953 20 0 BCADMP NC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000396745465 410896298 /nfs/dbraw/zinc/89/62/98/410896298.db2.gz XYVCWYXAVQYVST-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019432263 169779136 /nfs/dbraw/zinc/77/91/36/169779136.db2.gz ORNVEMIYMWRXPU-VIFPVBQESA-N 2 1 231.365 0.107 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652019360 411002468 /nfs/dbraw/zinc/00/24/68/411002468.db2.gz PGGOVCVKNIRAEB-LLVKDONJSA-N 2 1 218.316 0.781 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000398989302 411007349 /nfs/dbraw/zinc/00/73/49/411007349.db2.gz JHAQOOQHIFGQFE-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000399190048 411023375 /nfs/dbraw/zinc/02/33/75/411023375.db2.gz YHHPDRHUHREULX-QWRGUYRKSA-N 2 1 237.347 0.339 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538985 411137524 /nfs/dbraw/zinc/13/75/24/411137524.db2.gz WRYCAMYTUFDAMG-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891115 411149139 /nfs/dbraw/zinc/14/91/39/411149139.db2.gz IDBISTPIVBFLIZ-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[C@H]1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891115 411149140 /nfs/dbraw/zinc/14/91/40/411149140.db2.gz IDBISTPIVBFLIZ-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000651939016 411154354 /nfs/dbraw/zinc/15/43/54/411154354.db2.gz PYFFDJVBLFUJSZ-YFKTTZPYSA-N 2 1 239.363 0.570 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000651939391 411155675 /nfs/dbraw/zinc/15/56/75/411155675.db2.gz DRVICHOOIYLWGY-WYUUTHIRSA-N 2 1 237.347 0.467 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000651939389 411155991 /nfs/dbraw/zinc/15/59/91/411155991.db2.gz DRVICHOOIYLWGY-NNYUYHANSA-N 2 1 237.347 0.467 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000653650435 411157101 /nfs/dbraw/zinc/15/71/01/411157101.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)CN1[C@H](C)C[C@@H]1C ZINC000653650435 411157104 /nfs/dbraw/zinc/15/71/04/411157104.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)CN1[C@H](C)C[C@@H]1C ZINC000653650435 411157107 /nfs/dbraw/zinc/15/71/07/411157107.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000300231208 411116722 /nfs/dbraw/zinc/11/67/22/411116722.db2.gz GKVZAFFYMNZIIH-AXFHLTTASA-N 2 1 230.377 0.788 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000300231208 411116724 /nfs/dbraw/zinc/11/67/24/411116724.db2.gz GKVZAFFYMNZIIH-AXFHLTTASA-N 2 1 230.377 0.788 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309388883 411120453 /nfs/dbraw/zinc/12/04/53/411120453.db2.gz BPVQXJAFOYDSEI-UMNHJUIQSA-N 2 1 225.336 0.311 20 0 BCADMP [NH3+]CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655961349 411162819 /nfs/dbraw/zinc/16/28/19/411162819.db2.gz OIZUSIJMHHNVOO-WDEREUQCSA-N 2 1 240.351 0.261 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657940752 411175268 /nfs/dbraw/zinc/17/52/68/411175268.db2.gz MQAJGLTVPSPSFR-LLVKDONJSA-N 2 1 235.335 0.518 20 0 BCADMP Cc1cnn(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000655753692 411184633 /nfs/dbraw/zinc/18/46/33/411184633.db2.gz CRORNCSSXZYGTC-UHFFFAOYSA-N 2 1 222.336 0.914 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000062010155 411186414 /nfs/dbraw/zinc/18/64/14/411186414.db2.gz CCCFOJNSTSSPGW-SNVBAGLBSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C(C)C)C1 ZINC000656151891 411187630 /nfs/dbraw/zinc/18/76/30/411187630.db2.gz MIJVLTYTJZPNPH-GFCCVEGCSA-N 2 1 214.353 0.887 20 0 BCADMP CCN(C)C[C@@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151891 411187632 /nfs/dbraw/zinc/18/76/32/411187632.db2.gz MIJVLTYTJZPNPH-GFCCVEGCSA-N 2 1 214.353 0.887 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)CC[N@@H+]1C ZINC000652304334 411194822 /nfs/dbraw/zinc/19/48/22/411194822.db2.gz KDTDZBHGVIFDJI-OUAUKWLOSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)CC[N@H+]1C ZINC000652304334 411194823 /nfs/dbraw/zinc/19/48/23/411194823.db2.gz KDTDZBHGVIFDJI-OUAUKWLOSA-N 2 1 218.316 0.779 20 0 BCADMP CCOCC[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000652337589 411203642 /nfs/dbraw/zinc/20/36/42/411203642.db2.gz XHOWQLCXZAEVQQ-LLVKDONJSA-N 2 1 218.341 0.315 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338481 411204571 /nfs/dbraw/zinc/20/45/71/411204571.db2.gz ICPMTHOPRFDOEU-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000656201385 411206163 /nfs/dbraw/zinc/20/61/63/411206163.db2.gz WUJBTCVBWNYAIL-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCOC(C)(C)C ZINC000652343777 411208090 /nfs/dbraw/zinc/20/80/90/411208090.db2.gz XZXNPSKDEWZAJE-LBPRGKRZSA-N 2 1 232.368 0.704 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCOC(C)(C)C ZINC000652343777 411208091 /nfs/dbraw/zinc/20/80/91/411208091.db2.gz XZXNPSKDEWZAJE-LBPRGKRZSA-N 2 1 232.368 0.704 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349709 411211134 /nfs/dbraw/zinc/21/11/34/411211134.db2.gz ZULPCGXIILCUDK-CYDGBPFRSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349709 411211136 /nfs/dbraw/zinc/21/11/36/411211136.db2.gz ZULPCGXIILCUDK-CYDGBPFRSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349709 411211137 /nfs/dbraw/zinc/21/11/37/411211137.db2.gz ZULPCGXIILCUDK-CYDGBPFRSA-N 2 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349709 411211139 /nfs/dbraw/zinc/21/11/39/411211139.db2.gz ZULPCGXIILCUDK-CYDGBPFRSA-N 2 1 241.379 0.552 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365199067 411246373 /nfs/dbraw/zinc/24/63/73/411246373.db2.gz FSZGDRMJKMJBNN-DCAQKATOSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355973 411215281 /nfs/dbraw/zinc/21/52/81/411215281.db2.gz OIPUSRZBZGEIRO-NWDGAFQWSA-N 3 1 229.368 0.411 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(CC[NH3+])nn1 ZINC000656433699 411246484 /nfs/dbraw/zinc/24/64/84/411246484.db2.gz XLHPOEIQDPLXKK-UHFFFAOYSA-N 2 1 220.280 0.044 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000130368299 411220887 /nfs/dbraw/zinc/22/08/87/411220887.db2.gz HOGDPGBWRQLNOK-MWLCHTKSSA-N 2 1 238.335 0.681 20 0 BCADMP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655684331 411224670 /nfs/dbraw/zinc/22/46/70/411224670.db2.gz OGGLYWPFJMPEJZ-ZDUSSCGKSA-N 2 1 242.363 0.866 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608430 411228485 /nfs/dbraw/zinc/22/84/85/411228485.db2.gz CUJHOWQTXNJNIM-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611189 411232147 /nfs/dbraw/zinc/23/21/47/411232147.db2.gz QLOQPJTZCJKRIY-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000310422134 411236401 /nfs/dbraw/zinc/23/64/01/411236401.db2.gz QVIBSFNSRAYOOJ-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000310422134 411236405 /nfs/dbraw/zinc/23/64/05/411236405.db2.gz QVIBSFNSRAYOOJ-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000310422134 411236411 /nfs/dbraw/zinc/23/64/11/411236411.db2.gz QVIBSFNSRAYOOJ-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(CO)CC1 ZINC000310441663 411238531 /nfs/dbraw/zinc/23/85/31/411238531.db2.gz VXOPJMRGDDUIDQ-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CCCOC1 ZINC000402695965 411327594 /nfs/dbraw/zinc/32/75/94/411327594.db2.gz NESPZRYNOYZASX-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CCCOC1 ZINC000402695965 411327596 /nfs/dbraw/zinc/32/75/96/411327596.db2.gz NESPZRYNOYZASX-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H]1CCCOC1 ZINC000402695965 411327597 /nfs/dbraw/zinc/32/75/97/411327597.db2.gz NESPZRYNOYZASX-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H]1CCCOC1 ZINC000402695965 411327599 /nfs/dbraw/zinc/32/75/99/411327599.db2.gz NESPZRYNOYZASX-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129387593 411280511 /nfs/dbraw/zinc/28/05/11/411280511.db2.gz OPXHNOPBKYTYEH-STQMWFEESA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129387593 411280513 /nfs/dbraw/zinc/28/05/13/411280513.db2.gz OPXHNOPBKYTYEH-STQMWFEESA-N 2 1 247.342 0.897 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000401689429 411283725 /nfs/dbraw/zinc/28/37/25/411283725.db2.gz ZQHUBXRWWXJCSZ-ZJUUUORDSA-N 2 1 209.293 0.730 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889768 411285522 /nfs/dbraw/zinc/28/55/22/411285522.db2.gz LVUJZYXEWSRXGL-GMTAPVOTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698643 411248939 /nfs/dbraw/zinc/24/89/39/411248939.db2.gz QEGCTFDNWMGSCA-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770620 411252053 /nfs/dbraw/zinc/25/20/53/411252053.db2.gz MVZNYEZVSRKDLU-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000653444547 411256123 /nfs/dbraw/zinc/25/61/23/411256123.db2.gz QQMFKGSWCWEEOR-DDHJBXDOSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464462 411259358 /nfs/dbraw/zinc/25/93/58/411259358.db2.gz HMKZVTPFPPMGMW-MXWKQRLJSA-N 2 1 225.336 0.180 20 0 BCADMP [NH3+]CCCCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441340 411260520 /nfs/dbraw/zinc/26/05/20/411260520.db2.gz ZHYGAMOTFHUODC-UHFFFAOYSA-N 2 1 217.276 0.944 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000658349156 411349406 /nfs/dbraw/zinc/34/94/06/411349406.db2.gz VFTCRMUTVJAGGO-NJMOYASZSA-N 2 1 224.348 0.972 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000658349155 411350019 /nfs/dbraw/zinc/35/00/19/411350019.db2.gz VFTCRMUTVJAGGO-KVSVUVNWSA-N 2 1 224.348 0.972 20 0 BCADMP CN1CC[N@H+](C[C@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792671 411372910 /nfs/dbraw/zinc/37/29/10/411372910.db2.gz VLSKUNIXVGEZGC-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792671 411372912 /nfs/dbraw/zinc/37/29/12/411372912.db2.gz VLSKUNIXVGEZGC-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786838 411366003 /nfs/dbraw/zinc/36/60/03/411366003.db2.gz AZINWEUWBLLRMF-QWHCGFSZSA-N 2 1 249.362 0.600 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000656788225 411367110 /nfs/dbraw/zinc/36/71/10/411367110.db2.gz WWNDESOMUPWAEZ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@]12COC[C@H]1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790892 411370730 /nfs/dbraw/zinc/37/07/30/411370730.db2.gz BXMDPJRNCJGPQA-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP FC1(F)C[C@@H]1OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659849014 411340339 /nfs/dbraw/zinc/34/03/39/411340339.db2.gz DRBNGZDLLOGYKX-GUBZILKMSA-N 2 1 232.274 0.562 20 0 BCADMP C[C@H](C(=O)N1CCC[N@H+](C)CC1)[NH+]1CC(C)C1 ZINC000654376323 411381691 /nfs/dbraw/zinc/38/16/91/411381691.db2.gz SVVODRGPDOIOHX-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CC(C)C1 ZINC000654376323 411381693 /nfs/dbraw/zinc/38/16/93/411381693.db2.gz SVVODRGPDOIOHX-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCSC2)CC1 ZINC000304666771 411374476 /nfs/dbraw/zinc/37/44/76/411374476.db2.gz BGIORJAPOCKKKD-LLVKDONJSA-N 2 1 230.377 0.538 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243815 411459066 /nfs/dbraw/zinc/45/90/66/411459066.db2.gz CSQMCBRPOUSGNB-NSHDSACASA-N 2 1 248.330 0.450 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638247987 411459237 /nfs/dbraw/zinc/45/92/37/411459237.db2.gz RFAHPHBKVVMIMA-RYUDHWBXSA-N 2 1 248.330 0.402 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+](C)C)C1 ZINC000654548430 411410905 /nfs/dbraw/zinc/41/09/05/411410905.db2.gz QNDJXWKHEWYULO-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@H]1CCOC1 ZINC000653498201 411413300 /nfs/dbraw/zinc/41/33/00/411413300.db2.gz LJFCYJOQTCOIQX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@H]1CCOC1 ZINC000653498201 411413303 /nfs/dbraw/zinc/41/33/03/411413303.db2.gz LJFCYJOQTCOIQX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000653498201 411413305 /nfs/dbraw/zinc/41/33/05/411413305.db2.gz LJFCYJOQTCOIQX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@@H]1CCOC1 ZINC000653498201 411413308 /nfs/dbraw/zinc/41/33/08/411413308.db2.gz LJFCYJOQTCOIQX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP Cn1cc(CC[N@@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313347462 411416269 /nfs/dbraw/zinc/41/62/69/411416269.db2.gz SCLYTZUDKYNAGV-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1cc(CC[N@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313347462 411416271 /nfs/dbraw/zinc/41/62/71/411416271.db2.gz SCLYTZUDKYNAGV-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1cc(CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313347463 411416357 /nfs/dbraw/zinc/41/63/57/411416357.db2.gz SCLYTZUDKYNAGV-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1cc(CC[N@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313347463 411416359 /nfs/dbraw/zinc/41/63/59/411416359.db2.gz SCLYTZUDKYNAGV-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659460321 411417126 /nfs/dbraw/zinc/41/71/26/411417126.db2.gz OAIJNDLMDOHOQH-HBNTYKKESA-N 2 1 242.367 0.376 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659456778 411417447 /nfs/dbraw/zinc/41/74/47/411417447.db2.gz SFSIYPAFPMCLNH-VHSXEESVSA-N 2 1 240.351 0.130 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564744 411422662 /nfs/dbraw/zinc/42/26/62/411422662.db2.gz KFKMETUCRZJPBS-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564744 411422663 /nfs/dbraw/zinc/42/26/63/411422663.db2.gz KFKMETUCRZJPBS-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000653564744 411422664 /nfs/dbraw/zinc/42/26/64/411422664.db2.gz KFKMETUCRZJPBS-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1COC ZINC000653564744 411422665 /nfs/dbraw/zinc/42/26/65/411422665.db2.gz KFKMETUCRZJPBS-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541088 411432463 /nfs/dbraw/zinc/43/24/63/411432463.db2.gz ZOJLCXDMIQTUSB-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544194 411433212 /nfs/dbraw/zinc/43/32/12/411433212.db2.gz QYVQZXZWNALZMO-BYCRGOAPSA-N 2 1 240.351 0.285 20 0 BCADMP CCO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000405555267 411434534 /nfs/dbraw/zinc/43/45/34/411434534.db2.gz AOWLEJMVDWTJQC-CHWSQXEVSA-N 2 1 235.331 0.877 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000405555267 411434535 /nfs/dbraw/zinc/43/45/35/411434535.db2.gz AOWLEJMVDWTJQC-CHWSQXEVSA-N 2 1 235.331 0.877 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000654764289 411441452 /nfs/dbraw/zinc/44/14/52/411441452.db2.gz YKOBXDZOQMNHDA-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000654764289 411441454 /nfs/dbraw/zinc/44/14/54/411441454.db2.gz YKOBXDZOQMNHDA-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000654764289 411441456 /nfs/dbraw/zinc/44/14/56/411441456.db2.gz YKOBXDZOQMNHDA-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000654764289 411441458 /nfs/dbraw/zinc/44/14/58/411441458.db2.gz YKOBXDZOQMNHDA-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)CC1CC1 ZINC000659857412 411479376 /nfs/dbraw/zinc/47/93/76/411479376.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)CC1CC1 ZINC000659857412 411479377 /nfs/dbraw/zinc/47/93/77/411479377.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)CC1CC1 ZINC000659857412 411479380 /nfs/dbraw/zinc/47/93/80/411479380.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000655052268 411485608 /nfs/dbraw/zinc/48/56/08/411485608.db2.gz FRHQXUKGKPZUSI-UHFFFAOYSA-N 2 1 239.363 0.537 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000659928500 411501963 /nfs/dbraw/zinc/50/19/63/411501963.db2.gz VJDNJBIBRYVODS-NWDGAFQWSA-N 2 1 230.352 0.531 20 0 BCADMP COC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000659947054 411507066 /nfs/dbraw/zinc/50/70/66/411507066.db2.gz JNUUQPXCHKVTJB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000659947054 411507068 /nfs/dbraw/zinc/50/70/68/411507068.db2.gz JNUUQPXCHKVTJB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000659947054 411507069 /nfs/dbraw/zinc/50/70/69/411507069.db2.gz JNUUQPXCHKVTJB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009179 /nfs/dbraw/zinc/00/91/79/170009179.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009181 /nfs/dbraw/zinc/00/91/81/170009181.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009182 /nfs/dbraw/zinc/00/91/82/170009182.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 3 1 243.395 0.766 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009184 /nfs/dbraw/zinc/00/91/84/170009184.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009185 /nfs/dbraw/zinc/00/91/85/170009185.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+]1CC[C@@H](N(C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009187 /nfs/dbraw/zinc/00/91/87/170009187.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009189 /nfs/dbraw/zinc/00/91/89/170009189.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCO)C[C@H]1C ZINC000336715754 170010614 /nfs/dbraw/zinc/01/06/14/170010614.db2.gz UVDWETZJQKKEFP-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCO)C[C@H]1C ZINC000336715754 170010617 /nfs/dbraw/zinc/01/06/17/170010617.db2.gz UVDWETZJQKKEFP-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)[C@@H](C)C1 ZINC000246244329 170010767 /nfs/dbraw/zinc/01/07/67/170010767.db2.gz JECQIJLBTFMYMS-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000335150590 170011249 /nfs/dbraw/zinc/01/12/49/170011249.db2.gz OEUYKNPUPCSGPY-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000335150590 170011250 /nfs/dbraw/zinc/01/12/50/170011250.db2.gz OEUYKNPUPCSGPY-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000335150590 170011251 /nfs/dbraw/zinc/01/12/51/170011251.db2.gz OEUYKNPUPCSGPY-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000245870672 170013147 /nfs/dbraw/zinc/01/31/47/170013147.db2.gz LBWYCNXDSQAVFU-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839429 170015409 /nfs/dbraw/zinc/01/54/09/170015409.db2.gz ILDMHQHVUANJFM-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767885 170016236 /nfs/dbraw/zinc/01/62/36/170016236.db2.gz XAGZBZZCUOVZJZ-LLVKDONJSA-N 2 1 220.320 0.908 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767885 170016237 /nfs/dbraw/zinc/01/62/37/170016237.db2.gz XAGZBZZCUOVZJZ-LLVKDONJSA-N 2 1 220.320 0.908 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000357253133 170018481 /nfs/dbraw/zinc/01/84/81/170018481.db2.gz WRUGUOCSNKKDDI-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130878 170021309 /nfs/dbraw/zinc/02/13/09/170021309.db2.gz MZNYLUSXAQBZNU-AGIUHOORSA-N 2 1 243.395 0.229 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCO2)[C@H](C)C1 ZINC000358224508 170021459 /nfs/dbraw/zinc/02/14/59/170021459.db2.gz QXQUBJFMKFFZSZ-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000245870669 170021521 /nfs/dbraw/zinc/02/15/21/170021521.db2.gz LBWYCNXDSQAVFU-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130882 170021644 /nfs/dbraw/zinc/02/16/44/170021644.db2.gz MZNYLUSXAQBZNU-XQQFMLRXSA-N 2 1 243.395 0.229 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](C)C1 ZINC000309910796 170022594 /nfs/dbraw/zinc/02/25/94/170022594.db2.gz MRXNRUVLSHJQLF-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH3+] ZINC000357246084 170023895 /nfs/dbraw/zinc/02/38/95/170023895.db2.gz XBPALCYQHITJET-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309053261 170038085 /nfs/dbraw/zinc/03/80/85/170038085.db2.gz SFKGDEPUQBCWCJ-SDDRHHMPSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309053261 170038086 /nfs/dbraw/zinc/03/80/86/170038086.db2.gz SFKGDEPUQBCWCJ-SDDRHHMPSA-N 2 1 213.369 0.866 20 0 BCADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000657543837 411547531 /nfs/dbraw/zinc/54/75/31/411547531.db2.gz NCZSFDBWMJQTRF-YPMHNXCESA-N 2 1 242.363 0.722 20 0 BCADMP CCOC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044514310 170218901 /nfs/dbraw/zinc/21/89/01/170218901.db2.gz PIXWTMMUEXHBDJ-UHFFFAOYSA-N 2 1 200.282 0.220 20 0 BCADMP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166301 170247797 /nfs/dbraw/zinc/24/77/97/170247797.db2.gz OGXIIYRPQFBQKJ-SNVBAGLBSA-N 2 1 228.336 0.869 20 0 BCADMP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328081 170247811 /nfs/dbraw/zinc/24/78/11/170247811.db2.gz YGJSKEHPOUFDMJ-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000660277046 411564033 /nfs/dbraw/zinc/56/40/33/411564033.db2.gz BIHZGZQZELRISQ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000660277046 411564035 /nfs/dbraw/zinc/56/40/35/411564035.db2.gz BIHZGZQZELRISQ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000660277046 411564036 /nfs/dbraw/zinc/56/40/36/411564036.db2.gz BIHZGZQZELRISQ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000660277046 411564037 /nfs/dbraw/zinc/56/40/37/411564037.db2.gz BIHZGZQZELRISQ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660333151 411571246 /nfs/dbraw/zinc/57/12/46/411571246.db2.gz GCMMRDWCTFJOLE-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660333151 411571248 /nfs/dbraw/zinc/57/12/48/411571248.db2.gz GCMMRDWCTFJOLE-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660333151 411571249 /nfs/dbraw/zinc/57/12/49/411571249.db2.gz GCMMRDWCTFJOLE-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660333151 411571251 /nfs/dbraw/zinc/57/12/51/411571251.db2.gz GCMMRDWCTFJOLE-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217969009 411581035 /nfs/dbraw/zinc/58/10/35/411581035.db2.gz AMSVQVULNZWMNH-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217969009 411581037 /nfs/dbraw/zinc/58/10/37/411581037.db2.gz AMSVQVULNZWMNH-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836913 411609355 /nfs/dbraw/zinc/60/93/55/411609355.db2.gz XVHBZMZDPSBIGG-NEPJUHHUSA-N 2 1 249.362 0.741 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C(C)(C)C(N)=O ZINC000660648904 411612905 /nfs/dbraw/zinc/61/29/05/411612905.db2.gz YZHMHEBYHCVWCG-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C(C)(C)C(N)=O ZINC000660648904 411612906 /nfs/dbraw/zinc/61/29/06/411612906.db2.gz YZHMHEBYHCVWCG-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCO)C2 ZINC000660654087 411613256 /nfs/dbraw/zinc/61/32/56/411613256.db2.gz FQONITGEDPXPIP-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCO)C2 ZINC000660654087 411613258 /nfs/dbraw/zinc/61/32/58/411613258.db2.gz FQONITGEDPXPIP-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCO)C2 ZINC000660654087 411613260 /nfs/dbraw/zinc/61/32/60/411613260.db2.gz FQONITGEDPXPIP-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CC(CF)(CF)C1 ZINC000657875763 411615414 /nfs/dbraw/zinc/61/54/14/411615414.db2.gz OVMFNUDRDJCXLY-SNVBAGLBSA-N 2 1 236.306 0.586 20 0 BCADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC000660696133 411618159 /nfs/dbraw/zinc/61/81/59/411618159.db2.gz NKAWZWHSRLGLRN-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](O)C[N@@H+](C)CCCc1cncn1C ZINC000314497832 411713571 /nfs/dbraw/zinc/71/35/71/411713571.db2.gz DXJSSSAFDYDDFH-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP C[C@H](O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314497832 411713573 /nfs/dbraw/zinc/71/35/73/411713573.db2.gz DXJSSSAFDYDDFH-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP C[C@H](O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314497832 411713575 /nfs/dbraw/zinc/71/35/75/411713575.db2.gz DXJSSSAFDYDDFH-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000660920169 411668870 /nfs/dbraw/zinc/66/88/70/411668870.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000660920169 411668872 /nfs/dbraw/zinc/66/88/72/411668872.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000660920169 411668879 /nfs/dbraw/zinc/66/88/79/411668879.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000660920169 411668882 /nfs/dbraw/zinc/66/88/82/411668882.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP [NH3+]CC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663493434 411673793 /nfs/dbraw/zinc/67/37/93/411673793.db2.gz BPEFZMNQIIHSFC-NWDGAFQWSA-N 2 1 209.337 0.267 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663497000 411680027 /nfs/dbraw/zinc/68/00/27/411680027.db2.gz KLZRUQAVGGPDNT-WRWGMCAJSA-N 3 1 209.337 0.326 20 0 BCADMP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663501777 411685780 /nfs/dbraw/zinc/68/57/80/411685780.db2.gz AQAYVLZKXGGZBD-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663501777 411685785 /nfs/dbraw/zinc/68/57/85/411685785.db2.gz AQAYVLZKXGGZBD-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000663503935 411686991 /nfs/dbraw/zinc/68/69/91/411686991.db2.gz UHHWAYDLNDDKGB-VXGBXAGGSA-N 3 1 213.369 0.949 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512202 411694237 /nfs/dbraw/zinc/69/42/37/411694237.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@H]1C[C@H](CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512202 411694242 /nfs/dbraw/zinc/69/42/42/411694242.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 2 1 239.363 0.049 20 0 BCADMP Cc1cc(CO)cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000663852199 411760608 /nfs/dbraw/zinc/76/06/08/411760608.db2.gz PSXYBDTVYTVFGV-BETUJISGSA-N 2 1 247.342 0.880 20 0 BCADMP Cc1cc(CO)cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000663852199 411760612 /nfs/dbraw/zinc/76/06/12/411760612.db2.gz PSXYBDTVYTVFGV-BETUJISGSA-N 2 1 247.342 0.880 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COCCO1 ZINC000661610078 411815753 /nfs/dbraw/zinc/81/57/53/411815753.db2.gz DLJKLOHHTACTMZ-OLZOCXBDSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COCCO1 ZINC000661610078 411815756 /nfs/dbraw/zinc/81/57/56/411815756.db2.gz DLJKLOHHTACTMZ-OLZOCXBDSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1COCCO1 ZINC000661610078 411815759 /nfs/dbraw/zinc/81/57/59/411815759.db2.gz DLJKLOHHTACTMZ-OLZOCXBDSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1COCCO1 ZINC000661610078 411815764 /nfs/dbraw/zinc/81/57/64/411815764.db2.gz DLJKLOHHTACTMZ-OLZOCXBDSA-N 2 1 242.363 0.818 20 0 BCADMP CC1([NH3+])CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000647924158 411890745 /nfs/dbraw/zinc/89/07/45/411890745.db2.gz JEWGMDMVBQZHGU-UHFFFAOYSA-N 2 1 220.320 0.977 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000647988428 411900423 /nfs/dbraw/zinc/90/04/23/411900423.db2.gz HZXVPLSEFZYEMT-NSHDSACASA-N 2 1 249.362 0.848 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000647988428 411900425 /nfs/dbraw/zinc/90/04/25/411900425.db2.gz HZXVPLSEFZYEMT-NSHDSACASA-N 2 1 249.362 0.848 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000566244399 411913257 /nfs/dbraw/zinc/91/32/57/411913257.db2.gz NCQKKSOPKHURBL-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000516291689 411916869 /nfs/dbraw/zinc/91/68/69/411916869.db2.gz YVDOSJHSVLNEEK-LBPRGKRZSA-N 2 1 220.320 0.835 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CCC(CO)(CO)C1 ZINC000661952003 411917908 /nfs/dbraw/zinc/91/79/08/411917908.db2.gz YHUOPMSBNMWTJK-UHFFFAOYSA-N 2 1 244.379 0.395 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CCC(CO)(CO)C1 ZINC000661952003 411917912 /nfs/dbraw/zinc/91/79/12/411917912.db2.gz YHUOPMSBNMWTJK-UHFFFAOYSA-N 2 1 244.379 0.395 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000415121388 411930861 /nfs/dbraw/zinc/93/08/61/411930861.db2.gz GZKOTZGVOFPUCS-DTWKUNHWSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000415121388 411930866 /nfs/dbraw/zinc/93/08/66/411930866.db2.gz GZKOTZGVOFPUCS-DTWKUNHWSA-N 2 1 240.376 1.142 20 0 BCADMP C[N@H+](Cc1ccc(N)nc1)CC(C)(C)C[NH3+] ZINC000647505621 411881155 /nfs/dbraw/zinc/88/11/55/411881155.db2.gz MKLJOVWGVZVWAI-UHFFFAOYSA-N 2 1 222.336 1.081 20 0 BCADMP C[N@@H+](Cc1ccc(N)nc1)CC(C)(C)C[NH3+] ZINC000647505621 411881161 /nfs/dbraw/zinc/88/11/61/411881161.db2.gz MKLJOVWGVZVWAI-UHFFFAOYSA-N 2 1 222.336 1.081 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149318 412008423 /nfs/dbraw/zinc/00/84/23/412008423.db2.gz MWFAFLADLSKGPK-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662149318 412008424 /nfs/dbraw/zinc/00/84/24/412008424.db2.gz MWFAFLADLSKGPK-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000662159364 412012441 /nfs/dbraw/zinc/01/24/41/412012441.db2.gz YTAUMFXRBJUOHM-LBPRGKRZSA-N 2 1 230.327 0.877 20 0 BCADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000662159364 412012443 /nfs/dbraw/zinc/01/24/43/412012443.db2.gz YTAUMFXRBJUOHM-LBPRGKRZSA-N 2 1 230.327 0.877 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[NH3+] ZINC000664718833 412014347 /nfs/dbraw/zinc/01/43/47/412014347.db2.gz CJJMPHHTJGWBTK-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+]1 ZINC000664719362 412015007 /nfs/dbraw/zinc/01/50/07/412015007.db2.gz PKPBLPSSYANJGL-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662033228 411950392 /nfs/dbraw/zinc/95/03/92/411950392.db2.gz IXKLZTGDZRJDFO-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662033228 411950398 /nfs/dbraw/zinc/95/03/98/411950398.db2.gz IXKLZTGDZRJDFO-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033228 411950399 /nfs/dbraw/zinc/95/03/99/411950399.db2.gz IXKLZTGDZRJDFO-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033228 411950405 /nfs/dbraw/zinc/95/04/05/411950405.db2.gz IXKLZTGDZRJDFO-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP Nc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000647544515 411954122 /nfs/dbraw/zinc/95/41/22/411954122.db2.gz CVTMKOGIZIMRRO-BETUJISGSA-N 2 1 246.358 1.095 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662228607 412031883 /nfs/dbraw/zinc/03/18/83/412031883.db2.gz IVUSMJAJJQRIHI-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP COC[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)OC ZINC000662234209 412032532 /nfs/dbraw/zinc/03/25/32/412032532.db2.gz JTXRMPQJSWQKIF-CYBMUJFWSA-N 2 1 242.363 0.864 20 0 BCADMP COC[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])OC ZINC000662247774 412044470 /nfs/dbraw/zinc/04/44/70/412044470.db2.gz KKNNMWPPXIYLAS-SNVBAGLBSA-N 2 1 218.341 0.565 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247174 412044783 /nfs/dbraw/zinc/04/47/83/412044783.db2.gz USPHRLJEZHFKCW-NWDGAFQWSA-N 2 1 239.363 0.049 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246881 412045220 /nfs/dbraw/zinc/04/52/20/412045220.db2.gz UQZJCZFBXJJTJV-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246881 412045221 /nfs/dbraw/zinc/04/52/21/412045221.db2.gz UQZJCZFBXJJTJV-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000662249426 412047106 /nfs/dbraw/zinc/04/71/06/412047106.db2.gz NKSROFQFLVWHMF-GRYCIOLGSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000662249426 412047111 /nfs/dbraw/zinc/04/71/11/412047111.db2.gz NKSROFQFLVWHMF-GRYCIOLGSA-N 2 1 240.347 0.617 20 0 BCADMP COCCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254141 412048938 /nfs/dbraw/zinc/04/89/38/412048938.db2.gz MAYNZPWDOSAWFQ-LLVKDONJSA-N 2 1 228.336 0.476 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251539 412049856 /nfs/dbraw/zinc/04/98/56/412049856.db2.gz DXWATNYALRASBP-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CCN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257195 412051925 /nfs/dbraw/zinc/05/19/25/412051925.db2.gz BJLJJPFUIKFVSB-LBPRGKRZSA-N 2 1 239.363 0.145 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258988 412054372 /nfs/dbraw/zinc/05/43/72/412054372.db2.gz ZSGYUXFAIQESNV-WDEREUQCSA-N 2 1 226.320 0.228 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662264105 412055325 /nfs/dbraw/zinc/05/53/25/412055325.db2.gz AUKBGEXISYFYFH-WRWGMCAJSA-N 2 1 210.321 0.692 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662264105 412055327 /nfs/dbraw/zinc/05/53/27/412055327.db2.gz AUKBGEXISYFYFH-WRWGMCAJSA-N 2 1 210.321 0.692 20 0 BCADMP COC[C@H](C[N@H+](C)[C@@H](CN)C1CC1)OC ZINC000662272304 412062397 /nfs/dbraw/zinc/06/23/97/412062397.db2.gz DPCYJICPMMPUCN-QWRGUYRKSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@@H+](C)[C@@H](CN)C1CC1)OC ZINC000662272304 412062399 /nfs/dbraw/zinc/06/23/99/412062399.db2.gz DPCYJICPMMPUCN-QWRGUYRKSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)OC ZINC000662272304 412062402 /nfs/dbraw/zinc/06/24/02/412062402.db2.gz DPCYJICPMMPUCN-QWRGUYRKSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)OC ZINC000662272304 412062404 /nfs/dbraw/zinc/06/24/04/412062404.db2.gz DPCYJICPMMPUCN-QWRGUYRKSA-N 2 1 216.325 0.317 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000375846329 171099154 /nfs/dbraw/zinc/09/91/54/171099154.db2.gz DSGMRNTWAAHYBD-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272568 412064126 /nfs/dbraw/zinc/06/41/26/412064126.db2.gz GSZMGLVUCFPNJO-NEPJUHHUSA-N 3 1 239.363 0.178 20 0 BCADMP C[C@@]1(C[NH3+])CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272568 412064128 /nfs/dbraw/zinc/06/41/28/412064128.db2.gz GSZMGLVUCFPNJO-NEPJUHHUSA-N 2 1 239.363 0.178 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662273757 412064664 /nfs/dbraw/zinc/06/46/64/412064664.db2.gz ZWGJNEINKKNYRM-RYUDHWBXSA-N 2 1 227.352 0.036 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)OC ZINC000662273733 412064765 /nfs/dbraw/zinc/06/47/65/412064765.db2.gz ZIFGJYIDTBNCDU-NEPJUHHUSA-N 2 1 230.352 0.709 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662273344 412065572 /nfs/dbraw/zinc/06/55/72/412065572.db2.gz MKPDNWSELOBCJJ-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662273344 412065575 /nfs/dbraw/zinc/06/55/75/412065575.db2.gz MKPDNWSELOBCJJ-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662273345 412065945 /nfs/dbraw/zinc/06/59/45/412065945.db2.gz MKPDNWSELOBCJJ-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662273345 412065951 /nfs/dbraw/zinc/06/59/51/412065951.db2.gz MKPDNWSELOBCJJ-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273107 412066365 /nfs/dbraw/zinc/06/63/65/412066365.db2.gz SYSBDKGJUSAGNU-IJLUTSLNSA-N 2 1 230.352 0.707 20 0 BCADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000662278651 412071112 /nfs/dbraw/zinc/07/11/12/412071112.db2.gz ZYUKLVUNZWOBAI-IUCAKERBSA-N 2 1 224.295 0.919 20 0 BCADMP CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000662282094 412072373 /nfs/dbraw/zinc/07/23/73/412072373.db2.gz DCBKUZUGWLOFTM-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072410 /nfs/dbraw/zinc/07/24/10/412072410.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 2 1 241.379 0.280 20 0 BCADMP C[C@@H]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072416 /nfs/dbraw/zinc/07/24/16/412072416.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 2 1 241.379 0.280 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+](C)CC)[NH+](C)C ZINC000125220103 171228942 /nfs/dbraw/zinc/22/89/42/171228942.db2.gz WYJVBGSQRKVJRS-SNVBAGLBSA-N 2 1 215.341 0.395 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000126463038 171229172 /nfs/dbraw/zinc/22/91/72/171229172.db2.gz CBUDERRNLUKJAS-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000338963480 171231411 /nfs/dbraw/zinc/23/14/11/171231411.db2.gz KCEDLNMJVPFPHL-QJPTWQEYSA-N 2 1 241.379 0.926 20 0 BCADMP COC[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)OC ZINC000662282058 412073505 /nfs/dbraw/zinc/07/35/05/412073505.db2.gz CKJWBPFLIWSPDI-NSHDSACASA-N 2 1 228.336 0.476 20 0 BCADMP CC[C@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136313617 171243577 /nfs/dbraw/zinc/24/35/77/171243577.db2.gz LVKZJABCVPLGSW-LLVKDONJSA-N 2 1 238.335 0.777 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136313617 171243579 /nfs/dbraw/zinc/24/35/79/171243579.db2.gz LVKZJABCVPLGSW-LLVKDONJSA-N 2 1 238.335 0.777 20 0 BCADMP CC[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482577 171273049 /nfs/dbraw/zinc/27/30/49/171273049.db2.gz QNJKWWFIGSFLLL-LBPRGKRZSA-N 2 1 213.369 0.870 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291922 412082554 /nfs/dbraw/zinc/08/25/54/412082554.db2.gz ARPBGKGEYICAMS-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000365049027 171307165 /nfs/dbraw/zinc/30/71/65/171307165.db2.gz RQXWERDHLXSZDF-JQWIXIFHSA-N 2 1 245.342 0.535 20 0 BCADMP CC[C@H](C)[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336732889 171313234 /nfs/dbraw/zinc/31/32/34/171313234.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336732889 171313236 /nfs/dbraw/zinc/31/32/36/171313236.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336732889 171313238 /nfs/dbraw/zinc/31/32/38/171313238.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336732889 171313240 /nfs/dbraw/zinc/31/32/40/171313240.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695830 171324397 /nfs/dbraw/zinc/32/43/97/171324397.db2.gz BRKPAXFSKWYIJV-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695830 171324398 /nfs/dbraw/zinc/32/43/98/171324398.db2.gz BRKPAXFSKWYIJV-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251659471 171324951 /nfs/dbraw/zinc/32/49/51/171324951.db2.gz BRKPAXFSKWYIJV-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251659471 171324952 /nfs/dbraw/zinc/32/49/52/171324952.db2.gz BRKPAXFSKWYIJV-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+]CC12CC(C1)CN2CCC[NH+]1CCOCC1 ZINC000662303386 412089447 /nfs/dbraw/zinc/08/94/47/412089447.db2.gz BRMXTUYVNRVUKW-UHFFFAOYSA-N 2 1 239.363 0.132 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1=CCCOC1 ZINC000662306563 412091755 /nfs/dbraw/zinc/09/17/55/412091755.db2.gz RSRHMXUVGNVELJ-LBPRGKRZSA-N 2 1 228.336 0.235 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1=CCCOC1 ZINC000662306563 412091760 /nfs/dbraw/zinc/09/17/60/412091760.db2.gz RSRHMXUVGNVELJ-LBPRGKRZSA-N 2 1 228.336 0.235 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC1=CCCOC1 ZINC000662307103 412092881 /nfs/dbraw/zinc/09/28/81/412092881.db2.gz WCHKOSPFVPAWJF-UHFFFAOYSA-N 2 1 214.309 0.240 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000662390115 412141633 /nfs/dbraw/zinc/14/16/33/412141633.db2.gz IBDKYBYFDNYUHY-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH3+])C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662317081 412093700 /nfs/dbraw/zinc/09/37/00/412093700.db2.gz MNQJMCGZGNFYQS-LBPRGKRZSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H]([NH3+])C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662317081 412093705 /nfs/dbraw/zinc/09/37/05/412093705.db2.gz MNQJMCGZGNFYQS-LBPRGKRZSA-N 2 1 241.379 0.378 20 0 BCADMP FCC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662311040 412094350 /nfs/dbraw/zinc/09/43/50/412094350.db2.gz PXZKANKNEPRIFV-ZDUSSCGKSA-N 2 1 243.370 0.963 20 0 BCADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[NH3+])cn1 ZINC000662309760 412094863 /nfs/dbraw/zinc/09/48/63/412094863.db2.gz DALAAZMCPVBFPT-NWDGAFQWSA-N 2 1 222.336 0.680 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314699 412095402 /nfs/dbraw/zinc/09/54/02/412095402.db2.gz AXTOXIAIBVVBOU-QJPTWQEYSA-N 2 1 210.321 0.564 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662318014 412099233 /nfs/dbraw/zinc/09/92/33/412099233.db2.gz VYJHELDVIASTGM-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317254 412099252 /nfs/dbraw/zinc/09/92/52/412099252.db2.gz NXJLCILMTWOCJZ-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317254 412099256 /nfs/dbraw/zinc/09/92/56/412099256.db2.gz NXJLCILMTWOCJZ-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP N[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323120 412100527 /nfs/dbraw/zinc/10/05/27/412100527.db2.gz LCQGUXDOBUDULH-QJPTWQEYSA-N 2 1 229.343 0.747 20 0 BCADMP [NH3+][C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323120 412100531 /nfs/dbraw/zinc/10/05/31/412100531.db2.gz LCQGUXDOBUDULH-QJPTWQEYSA-N 2 1 229.343 0.747 20 0 BCADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCO)CCO1 ZINC000662324090 412102284 /nfs/dbraw/zinc/10/22/84/412102284.db2.gz UONPZHONEQVZGR-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP N[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325926 412103178 /nfs/dbraw/zinc/10/31/78/412103178.db2.gz LMCGYDNDNQYLPI-HBNTYKKESA-N 2 1 215.316 0.357 20 0 BCADMP [NH3+][C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325926 412103182 /nfs/dbraw/zinc/10/31/82/412103182.db2.gz LMCGYDNDNQYLPI-HBNTYKKESA-N 2 1 215.316 0.357 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1=CCSC1 ZINC000662327553 412104484 /nfs/dbraw/zinc/10/44/84/412104484.db2.gz RRPLHGPQBCEHIQ-NSHDSACASA-N 2 1 230.377 0.562 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1=CCSC1 ZINC000662327553 412104486 /nfs/dbraw/zinc/10/44/86/412104486.db2.gz RRPLHGPQBCEHIQ-NSHDSACASA-N 2 1 230.377 0.562 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC1(C)C ZINC000662330828 412104893 /nfs/dbraw/zinc/10/48/93/412104893.db2.gz ILUNCFJNHNAQRU-LBPRGKRZSA-N 2 1 225.380 0.870 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000662389439 412142192 /nfs/dbraw/zinc/14/21/92/412142192.db2.gz XIZNJNVNQZFTEJ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000662364298 412123666 /nfs/dbraw/zinc/12/36/66/412123666.db2.gz XOGBLVZAXXGQBC-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000665241610 412185602 /nfs/dbraw/zinc/18/56/02/412185602.db2.gz STSMDFUDXQTYRF-QNWHQSFQSA-N 2 1 223.364 0.811 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662474328 412187923 /nfs/dbraw/zinc/18/79/23/412187923.db2.gz ZAILDWFIQHJNQY-DCAQKATOSA-N 2 1 227.352 0.535 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662483473 412190571 /nfs/dbraw/zinc/19/05/71/412190571.db2.gz VLWVWEYYEGSOSX-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662529567 412205263 /nfs/dbraw/zinc/20/52/63/412205263.db2.gz ZVCFELULZJWWQO-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000665273153 412213601 /nfs/dbraw/zinc/21/36/01/412213601.db2.gz QRDJLRPVBMPNLU-DCAQKATOSA-N 2 1 225.336 0.385 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000662419191 412160049 /nfs/dbraw/zinc/16/00/49/412160049.db2.gz FQOIOXGPKINTSG-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000665272369 412214171 /nfs/dbraw/zinc/21/41/71/412214171.db2.gz DGFALWCJGAOWQR-VWYCJHECSA-N 2 1 225.336 0.385 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000665234410 412173525 /nfs/dbraw/zinc/17/35/25/412173525.db2.gz CKLWTWUUAGRKMO-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361981278 412266738 /nfs/dbraw/zinc/26/67/38/412266738.db2.gz NSVGBIZGKKKGFF-NWDGAFQWSA-N 2 1 249.362 0.818 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679779 412268066 /nfs/dbraw/zinc/26/80/66/412268066.db2.gz BSESZVRCBQWMJY-SRVKXCTJSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1[C@H](Nc2ccnc(N(C)C)n2)CCC[N@H+]1C ZINC000343612183 412275928 /nfs/dbraw/zinc/27/59/28/412275928.db2.gz VLNIHSGIPOZMBQ-WDEREUQCSA-N 2 1 249.362 1.437 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000662703863 412276992 /nfs/dbraw/zinc/27/69/92/412276992.db2.gz PGFTYPRVKABFBE-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000662703863 412276994 /nfs/dbraw/zinc/27/69/94/412276994.db2.gz PGFTYPRVKABFBE-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000662721056 412283360 /nfs/dbraw/zinc/28/33/60/412283360.db2.gz PSXJXERQPRRPMZ-XYPYZODXSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728481 412285431 /nfs/dbraw/zinc/28/54/31/412285431.db2.gz SCEKCBMEWAPFCE-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H](Cc1cnccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279964 412225385 /nfs/dbraw/zinc/22/53/85/412225385.db2.gz QGWAHLVCUZMVFQ-ZBOXLXRLSA-N 2 1 232.331 0.749 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280023 412225477 /nfs/dbraw/zinc/22/54/77/412225477.db2.gz RDYQTMCXBKXIML-MOENNCHZSA-N 2 1 235.335 0.398 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C(C)(C)C[NH3+] ZINC000662585609 412230272 /nfs/dbraw/zinc/23/02/72/412230272.db2.gz KVPSMEUSPQPQDE-UHFFFAOYSA-N 2 1 210.281 0.353 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662586020 412230285 /nfs/dbraw/zinc/23/02/85/412230285.db2.gz NZZCDQSQUMFHIO-GXSJLCMTSA-N 2 1 236.319 0.886 20 0 BCADMP CNC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665295224 412242475 /nfs/dbraw/zinc/24/24/75/412242475.db2.gz ALBVPIUYSWQXBA-GHMZBOCLSA-N 2 1 213.369 0.914 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000662620800 412244258 /nfs/dbraw/zinc/24/42/58/412244258.db2.gz BNDBUEJRLQJLJS-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618989 412244389 /nfs/dbraw/zinc/24/43/89/412244389.db2.gz HEXZWDRJZMKLQT-NXEZZACHSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618990 412244645 /nfs/dbraw/zinc/24/46/45/412244645.db2.gz HEXZWDRJZMKLQT-VHSXEESVSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]([NH2+]CCOCCF)[C@H]1CCC[NH2+]1 ZINC000665298895 412248556 /nfs/dbraw/zinc/24/85/56/412248556.db2.gz BVJJGXTXPLTLEX-VHSXEESVSA-N 2 1 204.289 0.703 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000662793371 412305488 /nfs/dbraw/zinc/30/54/88/412305488.db2.gz GMOJYOJMZMHECN-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835668 412316792 /nfs/dbraw/zinc/31/67/92/412316792.db2.gz RJFCXXIHBMZABX-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@]1(NC(=O)c2csc(C[NH3+])n2)CC[NH2+]C1 ZINC000663002955 412367120 /nfs/dbraw/zinc/36/71/20/412367120.db2.gz AGSLTNRXEIYXGO-JTQLQIEISA-N 2 1 240.332 0.084 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000662923611 412347123 /nfs/dbraw/zinc/34/71/23/412347123.db2.gz QHNPHTQJASXXDO-YLXHPXFOSA-N 2 1 237.347 0.195 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000662966055 412358109 /nfs/dbraw/zinc/35/81/09/412358109.db2.gz OHXXCLDDAISLGQ-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746579 412290433 /nfs/dbraw/zinc/29/04/33/412290433.db2.gz QAJDMTBYIOXLEH-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662750053 412291271 /nfs/dbraw/zinc/29/12/71/412291271.db2.gz OPNAHWSKDXJXTA-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662766970 412296256 /nfs/dbraw/zinc/29/62/56/412296256.db2.gz PBVNBPRXJFTAHY-UHFFFAOYSA-N 2 1 247.289 0.358 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795123 412305038 /nfs/dbraw/zinc/30/50/38/412305038.db2.gz XAQWVDNWXXWZMI-DDHJBXDOSA-N 2 1 239.363 0.522 20 0 BCADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000168340913 172028853 /nfs/dbraw/zinc/02/88/53/172028853.db2.gz ZSNNFYMCIYSBRL-SNVBAGLBSA-N 2 1 236.319 0.568 20 0 BCADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000168340995 172029609 /nfs/dbraw/zinc/02/96/09/172029609.db2.gz ZSNNFYMCIYSBRL-JTQLQIEISA-N 2 1 236.319 0.568 20 0 BCADMP CCn1cc(CN[C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000309954830 172174711 /nfs/dbraw/zinc/17/47/11/172174711.db2.gz HVBSKMSMBBNEDH-ZYHUDNBSSA-N 2 1 222.336 0.943 20 0 BCADMP CCn1cc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000309954830 172174713 /nfs/dbraw/zinc/17/47/13/172174713.db2.gz HVBSKMSMBBNEDH-ZYHUDNBSSA-N 2 1 222.336 0.943 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594485 172357914 /nfs/dbraw/zinc/35/79/14/172357914.db2.gz IQDFVXJZJMQGDJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000094647347 487624858 /nfs/dbraw/zinc/62/48/58/487624858.db2.gz RYJLOFNCVMQKGF-SDDRHHMPSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000360811384 172995604 /nfs/dbraw/zinc/99/56/04/172995604.db2.gz CPTSNRVNRJAJIG-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006915 /nfs/dbraw/zinc/00/69/15/173006915.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006917 /nfs/dbraw/zinc/00/69/17/173006917.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006919 /nfs/dbraw/zinc/00/69/19/173006919.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000336595572 173012003 /nfs/dbraw/zinc/01/20/03/173012003.db2.gz XYXQKBYBSGSIQH-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000336595572 173012006 /nfs/dbraw/zinc/01/20/06/173012006.db2.gz XYXQKBYBSGSIQH-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000336595572 173012007 /nfs/dbraw/zinc/01/20/07/173012007.db2.gz XYXQKBYBSGSIQH-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042165846 173012169 /nfs/dbraw/zinc/01/21/69/173012169.db2.gz UBBQALBAKWMWJB-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000020217564 173014983 /nfs/dbraw/zinc/01/49/83/173014983.db2.gz UBNQNFQVJKAMRG-UHFFFAOYSA-N 2 1 247.342 0.923 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC000353380700 173026325 /nfs/dbraw/zinc/02/63/25/173026325.db2.gz KRRZHNFFYBKCNS-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648167 173027802 /nfs/dbraw/zinc/02/78/02/173027802.db2.gz SVJMIFFHNOCCBJ-GFCCVEGCSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394532 173029945 /nfs/dbraw/zinc/02/99/45/173029945.db2.gz XIFDBFJSWFKFHA-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000227334574 173035729 /nfs/dbraw/zinc/03/57/29/173035729.db2.gz OEALRTFTRUVKTM-ZYHUDNBSSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037110 /nfs/dbraw/zinc/03/71/10/173037110.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037111 /nfs/dbraw/zinc/03/71/11/173037111.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037113 /nfs/dbraw/zinc/03/71/13/173037113.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226394561 173055806 /nfs/dbraw/zinc/05/58/06/173055806.db2.gz JIVOUGRSDHQHBF-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336262819 173066980 /nfs/dbraw/zinc/06/69/80/173066980.db2.gz CZITXVULNZYCKX-LLVKDONJSA-N 2 1 243.326 0.194 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336262819 173066982 /nfs/dbraw/zinc/06/69/82/173066982.db2.gz CZITXVULNZYCKX-LLVKDONJSA-N 2 1 243.326 0.194 20 0 BCADMP C[N@@H+]1CCN(C(=O)CC[NH3+])[C@H](c2ccccc2)C1 ZINC000019276423 173067013 /nfs/dbraw/zinc/06/70/13/173067013.db2.gz PBPPKVQDHOVQRW-ZDUSSCGKSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH3+])[C@H](c2ccccc2)C1 ZINC000019276423 173067015 /nfs/dbraw/zinc/06/70/15/173067015.db2.gz PBPPKVQDHOVQRW-ZDUSSCGKSA-N 2 1 247.342 0.851 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000363331608 173069156 /nfs/dbraw/zinc/06/91/56/173069156.db2.gz OKFYYYMTKDLZFJ-GFCCVEGCSA-N 2 1 237.347 0.102 20 0 BCADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865922 173080077 /nfs/dbraw/zinc/08/00/77/173080077.db2.gz YRNKJGPZSKYUCZ-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037484875 173115263 /nfs/dbraw/zinc/11/52/63/173115263.db2.gz HAWPYXPQEOBVTQ-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340357710 173137669 /nfs/dbraw/zinc/13/76/69/173137669.db2.gz HOSGSLQJJQBPRS-ZYHUDNBSSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340357710 173137672 /nfs/dbraw/zinc/13/76/72/173137672.db2.gz HOSGSLQJJQBPRS-ZYHUDNBSSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCSC2)C1 ZINC000335602301 173137811 /nfs/dbraw/zinc/13/78/11/173137811.db2.gz KDNCULPLDUJBHV-GHMZBOCLSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCSC2)C1 ZINC000335602301 173137812 /nfs/dbraw/zinc/13/78/12/173137812.db2.gz KDNCULPLDUJBHV-GHMZBOCLSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2Cc3ccccc3C2)C1 ZINC000336432153 173138984 /nfs/dbraw/zinc/13/89/84/173138984.db2.gz SVAQTYSAQOLGEE-OAHLLOKOSA-N 2 1 246.354 0.810 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2Cc3ccccc3C2)C1 ZINC000336432153 173138985 /nfs/dbraw/zinc/13/89/85/173138985.db2.gz SVAQTYSAQOLGEE-OAHLLOKOSA-N 2 1 246.354 0.810 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000051691784 173145752 /nfs/dbraw/zinc/14/57/52/173145752.db2.gz MITZELJONFIRHP-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000228544508 173150889 /nfs/dbraw/zinc/15/08/89/173150889.db2.gz GLJOZNYXFRAZIE-QCNOEVLYSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCO)[C@@H]2CCC[C@H]21 ZINC000308902258 173153319 /nfs/dbraw/zinc/15/33/19/173153319.db2.gz BOFMZMICLHCMKT-SDDRHHMPSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340357709 173165921 /nfs/dbraw/zinc/16/59/21/173165921.db2.gz HOSGSLQJJQBPRS-PWSUYJOCSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340357709 173165923 /nfs/dbraw/zinc/16/59/23/173165923.db2.gz HOSGSLQJJQBPRS-PWSUYJOCSA-N 2 1 228.336 0.210 20 0 BCADMP C[NH+]1CCC[C@H]1CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365873027 173198049 /nfs/dbraw/zinc/19/80/49/173198049.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@H]2CN(CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC000365873027 173198050 /nfs/dbraw/zinc/19/80/50/173198050.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@H]2CN(CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC000365873027 173198053 /nfs/dbraw/zinc/19/80/53/173198053.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 2 1 237.391 0.964 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340709275 173238470 /nfs/dbraw/zinc/23/84/70/173238470.db2.gz HJURIMFXTULVJB-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000358020742 173242564 /nfs/dbraw/zinc/24/25/64/173242564.db2.gz GKBYVCNXYMEWBU-GRYCIOLGSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336769441 173282920 /nfs/dbraw/zinc/28/29/20/173282920.db2.gz RYNAGCGCBDTBSL-GARJFASQSA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336769441 173282921 /nfs/dbraw/zinc/28/29/21/173282921.db2.gz RYNAGCGCBDTBSL-GARJFASQSA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000234358083 173293560 /nfs/dbraw/zinc/29/35/60/173293560.db2.gz BNTPUJJNDBIBQF-NSHDSACASA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000234375212 173301438 /nfs/dbraw/zinc/30/14/38/173301438.db2.gz CBZLEJXISZYXCO-NEPJUHHUSA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889747 173305864 /nfs/dbraw/zinc/30/58/64/173305864.db2.gz TZYRCBUHMPZWKM-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889747 173305865 /nfs/dbraw/zinc/30/58/65/173305865.db2.gz TZYRCBUHMPZWKM-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497682 173306308 /nfs/dbraw/zinc/30/63/08/173306308.db2.gz HYYHZROWPBATTJ-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000237191501 173326535 /nfs/dbraw/zinc/32/65/35/173326535.db2.gz QKICPNCSHNDOJJ-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410806 173327776 /nfs/dbraw/zinc/32/77/76/173327776.db2.gz KHHJQBVMLQHXFZ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237251818 173329971 /nfs/dbraw/zinc/32/99/71/173329971.db2.gz BGCXGKDJLZAQJE-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000237118103 173342594 /nfs/dbraw/zinc/34/25/94/173342594.db2.gz SUIYMEZWKVNYPX-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812649 173343673 /nfs/dbraw/zinc/34/36/73/173343673.db2.gz GFARNKOIMPLEBX-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000120561811 173352324 /nfs/dbraw/zinc/35/23/24/173352324.db2.gz JEIKNIKOVPYTPW-CYBMUJFWSA-N 2 1 249.358 0.967 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000246698455 173362714 /nfs/dbraw/zinc/36/27/14/173362714.db2.gz WAYIDDJVMCZYIP-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC000251000096 173367774 /nfs/dbraw/zinc/36/77/74/173367774.db2.gz PHXWYSLJSOAZLF-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000042425402 174223596 /nfs/dbraw/zinc/22/35/96/174223596.db2.gz RDKXGNVTICUGCW-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309042743 174263492 /nfs/dbraw/zinc/26/34/92/174263492.db2.gz MEWRIQGJXGORHA-QWRGUYRKSA-N 2 1 218.341 0.314 20 0 BCADMP COCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000042459406 174276105 /nfs/dbraw/zinc/27/61/05/174276105.db2.gz LFJMIRQNVWSORF-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP COCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843399 174279170 /nfs/dbraw/zinc/27/91/70/174279170.db2.gz BEHAAHPIYSPHMX-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP COCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843399 174279171 /nfs/dbraw/zinc/27/91/71/174279171.db2.gz BEHAAHPIYSPHMX-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP COCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843399 174279172 /nfs/dbraw/zinc/27/91/72/174279172.db2.gz BEHAAHPIYSPHMX-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP COCC[N@@H+](CCO)CCn1ccnc1C ZINC000160808568 174293275 /nfs/dbraw/zinc/29/32/75/174293275.db2.gz AHZSSIQWBICPGO-UHFFFAOYSA-N 2 1 227.308 0.132 20 0 BCADMP COCC[N@H+](CCO)CCn1cc[nH+]c1C ZINC000160808568 174293278 /nfs/dbraw/zinc/29/32/78/174293278.db2.gz AHZSSIQWBICPGO-UHFFFAOYSA-N 2 1 227.308 0.132 20 0 BCADMP COCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371292672 174311252 /nfs/dbraw/zinc/31/12/52/174311252.db2.gz CUSVERRKUJRFTO-YNEHKIRRSA-N 2 1 242.363 0.816 20 0 BCADMP COCC[N@H+]1CC[C@@H](Nc2ccnc(C)n2)C1 ZINC000266422633 174313065 /nfs/dbraw/zinc/31/30/65/174313065.db2.gz SFBQTTSKZNCORB-LLVKDONJSA-N 2 1 236.319 0.918 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070028372 174353950 /nfs/dbraw/zinc/35/39/50/174353950.db2.gz LDPMLGZGXMBWNW-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP COCCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000044693432 174357941 /nfs/dbraw/zinc/35/79/41/174357941.db2.gz VJNZNWXXDZUNRB-UHFFFAOYSA-N 2 1 216.325 0.333 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128018634 174358094 /nfs/dbraw/zinc/35/80/94/174358094.db2.gz MGHHBVXEQZZEFE-CHWSQXEVSA-N 2 1 242.363 0.866 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000042441716 175095642 /nfs/dbraw/zinc/09/56/42/175095642.db2.gz YOSUXXWDXFTFSJ-NSHDSACASA-N 2 1 224.304 0.447 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000042441716 175095643 /nfs/dbraw/zinc/09/56/43/175095643.db2.gz YOSUXXWDXFTFSJ-NSHDSACASA-N 2 1 224.304 0.447 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000357348660 175670629 /nfs/dbraw/zinc/67/06/29/175670629.db2.gz RFWCKDHJKZSUEW-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000237400207 176100322 /nfs/dbraw/zinc/10/03/22/176100322.db2.gz NQZLXVBWFVNRDW-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336685045 176109036 /nfs/dbraw/zinc/10/90/36/176109036.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336685045 176109037 /nfs/dbraw/zinc/10/90/37/176109037.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336685045 176109038 /nfs/dbraw/zinc/10/90/38/176109038.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336685045 176109039 /nfs/dbraw/zinc/10/90/39/176109039.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336756675 176131770 /nfs/dbraw/zinc/13/17/70/176131770.db2.gz JNNYRFLIJIXZKG-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336756675 176131771 /nfs/dbraw/zinc/13/17/71/176131771.db2.gz JNNYRFLIJIXZKG-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336756679 176150389 /nfs/dbraw/zinc/15/03/89/176150389.db2.gz JNNYRFLIJIXZKG-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336756679 176150392 /nfs/dbraw/zinc/15/03/92/176150392.db2.gz JNNYRFLIJIXZKG-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333311043 176186317 /nfs/dbraw/zinc/18/63/17/176186317.db2.gz RVTBBTCTDDJVOC-SUZMYJTESA-N 2 1 234.347 0.855 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000226084621 176187430 /nfs/dbraw/zinc/18/74/30/176187430.db2.gz DWKWFORBWOYJLU-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493609 176196892 /nfs/dbraw/zinc/19/68/92/176196892.db2.gz NQBDEPUFWOLEAX-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000122053811 176213692 /nfs/dbraw/zinc/21/36/92/176213692.db2.gz PLIORIFTLVROHZ-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@@H]1[NH3+] ZINC000333948728 176251202 /nfs/dbraw/zinc/25/12/02/176251202.db2.gz WOYYIXBTNDEQIE-VWYCJHECSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696876 176266521 /nfs/dbraw/zinc/26/65/21/176266521.db2.gz ZSEQYQPJPCQJJA-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696876 176266523 /nfs/dbraw/zinc/26/65/23/176266523.db2.gz ZSEQYQPJPCQJJA-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000226401284 176267837 /nfs/dbraw/zinc/26/78/37/176267837.db2.gz OQTAITCEPKNWGJ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000226401284 176267839 /nfs/dbraw/zinc/26/78/39/176267839.db2.gz OQTAITCEPKNWGJ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778661 176270515 /nfs/dbraw/zinc/27/05/15/176270515.db2.gz LXWNTKSMSLDCTP-ZYHUDNBSSA-N 2 1 222.336 0.882 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875587 176270859 /nfs/dbraw/zinc/27/08/59/176270859.db2.gz MFPJCHPLBNWYDW-MNOVXSKESA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309119911 176271149 /nfs/dbraw/zinc/27/11/49/176271149.db2.gz NEAIWQNCEHJAIE-IWSPIJDZSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309119911 176271151 /nfs/dbraw/zinc/27/11/51/176271151.db2.gz NEAIWQNCEHJAIE-IWSPIJDZSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000226422277 176295974 /nfs/dbraw/zinc/29/59/74/176295974.db2.gz ZJAGLBAFOSSRIK-PWSUYJOCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCO ZINC000305067907 176300550 /nfs/dbraw/zinc/30/05/50/176300550.db2.gz JQVVKRBKMXNELM-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251694020 176323568 /nfs/dbraw/zinc/32/35/68/176323568.db2.gz ILZJCSCUHIDZHP-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000332191337 176363474 /nfs/dbraw/zinc/36/34/74/176363474.db2.gz ZIMRGRZSXDALNV-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000332191337 176363476 /nfs/dbraw/zinc/36/34/76/176363476.db2.gz ZIMRGRZSXDALNV-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(C)(C)C ZINC000122301183 176367412 /nfs/dbraw/zinc/36/74/12/176367412.db2.gz JJCLQBFMQPVZNM-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(C)(C)C ZINC000122301183 176367413 /nfs/dbraw/zinc/36/74/13/176367413.db2.gz JJCLQBFMQPVZNM-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1cccn1 ZINC000122317862 176368164 /nfs/dbraw/zinc/36/81/64/176368164.db2.gz DQHHNKDWTQQFOA-MNOVXSKESA-N 2 1 208.309 0.552 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806599 176370704 /nfs/dbraw/zinc/37/07/04/176370704.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[N@H+]1C ZINC000133150579 176372585 /nfs/dbraw/zinc/37/25/85/176372585.db2.gz KYPUKFULLNOADH-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)CC[N@@H+]1C ZINC000309314543 176379350 /nfs/dbraw/zinc/37/93/50/176379350.db2.gz FUDQSOGLAKAZGU-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)CC[N@H+]1C ZINC000309314543 176379352 /nfs/dbraw/zinc/37/93/52/176379352.db2.gz FUDQSOGLAKAZGU-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025243 487633865 /nfs/dbraw/zinc/63/38/65/487633865.db2.gz QSZDKJBDDLBFSC-RYUDHWBXSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025243 487633869 /nfs/dbraw/zinc/63/38/69/487633869.db2.gz QSZDKJBDDLBFSC-RYUDHWBXSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383511698 487634277 /nfs/dbraw/zinc/63/42/77/487634277.db2.gz GVDRKWRJJHDHLB-MDZLAQPJSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336703346 177009577 /nfs/dbraw/zinc/00/95/77/177009577.db2.gz KMEUTIYJLBIVQM-LOWVWBTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336703346 177009578 /nfs/dbraw/zinc/00/95/78/177009578.db2.gz KMEUTIYJLBIVQM-LOWVWBTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336703346 177009580 /nfs/dbraw/zinc/00/95/80/177009580.db2.gz KMEUTIYJLBIVQM-LOWVWBTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336703346 177009582 /nfs/dbraw/zinc/00/95/82/177009582.db2.gz KMEUTIYJLBIVQM-LOWVWBTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224214914 177072298 /nfs/dbraw/zinc/07/22/98/177072298.db2.gz GKYCLXOOCJTTQD-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224214914 177072300 /nfs/dbraw/zinc/07/23/00/177072300.db2.gz GKYCLXOOCJTTQD-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000224218869 177091555 /nfs/dbraw/zinc/09/15/55/177091555.db2.gz DZFVHZCEVBVYDJ-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000224218869 177091557 /nfs/dbraw/zinc/09/15/57/177091557.db2.gz DZFVHZCEVBVYDJ-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000195157535 177104328 /nfs/dbraw/zinc/10/43/28/177104328.db2.gz GOELIICOPAXDHI-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000249820841 177104882 /nfs/dbraw/zinc/10/48/82/177104882.db2.gz GOELIICOPAXDHI-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH3+] ZINC000357805431 177186668 /nfs/dbraw/zinc/18/66/68/177186668.db2.gz XQKFTPQIVAPHGT-PHIMTYICSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC[NH2+]C1CC1 ZINC000042438671 177197926 /nfs/dbraw/zinc/19/79/26/177197926.db2.gz IIOYNAWEUYFHOI-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000043497691 177198471 /nfs/dbraw/zinc/19/84/71/177198471.db2.gz ZEIRHQIIQLMJJI-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000358233393 177234854 /nfs/dbraw/zinc/23/48/54/177234854.db2.gz OFIMMJQPHCFYLI-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251760420 177269574 /nfs/dbraw/zinc/26/95/74/177269574.db2.gz LUFQCEQHBSMZDK-GXSJLCMTSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251760420 177269576 /nfs/dbraw/zinc/26/95/76/177269576.db2.gz LUFQCEQHBSMZDK-GXSJLCMTSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000108356885 177283951 /nfs/dbraw/zinc/28/39/51/177283951.db2.gz NQNZHZPFGNXDII-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000108356885 177283953 /nfs/dbraw/zinc/28/39/53/177283953.db2.gz NQNZHZPFGNXDII-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCCC1 ZINC000131540578 177323669 /nfs/dbraw/zinc/32/36/69/177323669.db2.gz HBGKGIGWKWKCTE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCCCC1 ZINC000131540578 177323671 /nfs/dbraw/zinc/32/36/71/177323671.db2.gz HBGKGIGWKWKCTE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CC1 ZINC000122311570 177323761 /nfs/dbraw/zinc/32/37/61/177323761.db2.gz HEMZREOWDOYXAC-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1CC1 ZINC000122311570 177323762 /nfs/dbraw/zinc/32/37/62/177323762.db2.gz HEMZREOWDOYXAC-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605242 177361490 /nfs/dbraw/zinc/36/14/90/177361490.db2.gz HTQPASBDBAWNGE-CMPLNLGQSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCC2)CC[N@H+]1C ZINC000133413845 177369606 /nfs/dbraw/zinc/36/96/06/177369606.db2.gz IVGVVPQKVCXQFA-WDEREUQCSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000094648276 177395886 /nfs/dbraw/zinc/39/58/86/177395886.db2.gz KMIBQVPJOGPENJ-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493900431 226258960 /nfs/dbraw/zinc/25/89/60/226258960.db2.gz LYTXZHCGHVXMCU-QFOLPQNPSA-N 2 1 239.363 0.569 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000493966383 226259380 /nfs/dbraw/zinc/25/93/80/226259380.db2.gz AGQBAYFGQSUNOF-SCVCMEIPSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000493966382 226259395 /nfs/dbraw/zinc/25/93/95/226259395.db2.gz AGQBAYFGQSUNOF-NHCYSSNCSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000496898571 226316825 /nfs/dbraw/zinc/31/68/25/226316825.db2.gz AHKGPOWDXYEUSC-QWRGUYRKSA-N 2 1 241.335 0.416 20 0 BCADMP COCC[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400335044 226341126 /nfs/dbraw/zinc/34/11/26/226341126.db2.gz FTLYIYSGZJMVTM-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400438629 226343628 /nfs/dbraw/zinc/34/36/28/226343628.db2.gz LVOABESDBLMUGI-VXGBXAGGSA-N 3 1 229.368 0.295 20 0 BCADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400736002 226350709 /nfs/dbraw/zinc/35/07/09/226350709.db2.gz RSALLRSFYKULGN-GMXVVIOVSA-N 2 1 223.364 0.953 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335616219 487654090 /nfs/dbraw/zinc/65/40/90/487654090.db2.gz RHMMLOXETWAHKL-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP CCN(CCCO)Cc1nc(C(C)(C)N)no1 ZINC000431089321 487665651 /nfs/dbraw/zinc/66/56/51/487665651.db2.gz ZCKSTRZLZBJCSQ-UHFFFAOYSA-N 2 1 242.323 0.468 20 0 BCADMP Cn1cncc1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000314865453 487669114 /nfs/dbraw/zinc/66/91/14/487669114.db2.gz JTZMVILYSVVTMD-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314866724 487669130 /nfs/dbraw/zinc/66/91/30/487669130.db2.gz JZLVEDUDOYSYQF-LBPRGKRZSA-N 2 1 236.363 0.894 20 0 BCADMP C[NH2+][C@H]1CCN(CCCc2c[nH+]cn2C)C1 ZINC000314952911 487670101 /nfs/dbraw/zinc/67/01/01/487670101.db2.gz UIXHPBYBTUFTGW-NSHDSACASA-N 2 1 222.336 0.646 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCO)C1 ZINC000639760521 487673470 /nfs/dbraw/zinc/67/34/70/487673470.db2.gz BJEJWRRQJNBZOR-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000384039966 487689661 /nfs/dbraw/zinc/68/96/61/487689661.db2.gz UWSBGFOYNOFCJY-STQMWFEESA-N 2 1 246.395 0.684 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402958 487704714 /nfs/dbraw/zinc/70/47/14/487704714.db2.gz BYVXWGAZGSZYRD-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403140 487705516 /nfs/dbraw/zinc/70/55/16/487705516.db2.gz LNNXRIFHCDYQRB-GHMZBOCLSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403274 487705950 /nfs/dbraw/zinc/70/59/50/487705950.db2.gz QVVHTMINWHQHJV-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP CC[NH2+]CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403239 487706243 /nfs/dbraw/zinc/70/62/43/487706243.db2.gz PNIOFHLTCQUEFX-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N1 ZINC000156106891 487721054 /nfs/dbraw/zinc/72/10/54/487721054.db2.gz YNZBRXZUEAXIPC-GRYCIOLGSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886858 487723895 /nfs/dbraw/zinc/72/38/95/487723895.db2.gz ODEJNGBVNBPEHO-UTLUCORTSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886858 487723900 /nfs/dbraw/zinc/72/39/00/487723900.db2.gz ODEJNGBVNBPEHO-UTLUCORTSA-N 2 1 213.325 0.132 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772223 487730663 /nfs/dbraw/zinc/73/06/63/487730663.db2.gz UNNRPXKBNHUFIZ-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000226398387 487734424 /nfs/dbraw/zinc/73/44/24/487734424.db2.gz SOUXLMIZMYMHKR-JLLWLGSASA-N 2 1 239.363 0.713 20 0 BCADMP COCC[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251249353 487750925 /nfs/dbraw/zinc/75/09/25/487750925.db2.gz UHOWRPSRVOXESH-GARJFASQSA-N 2 1 216.325 0.459 20 0 BCADMP COCC[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251249353 487750930 /nfs/dbraw/zinc/75/09/30/487750930.db2.gz UHOWRPSRVOXESH-GARJFASQSA-N 2 1 216.325 0.459 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+](C)C ZINC000674263646 487758541 /nfs/dbraw/zinc/75/85/41/487758541.db2.gz MWFNXACREOMOBY-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401724589 487763264 /nfs/dbraw/zinc/76/32/64/487763264.db2.gz KUGDDPOLOYFDLV-MFKMUULPSA-N 2 1 239.363 0.585 20 0 BCADMP O[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251532170 487765064 /nfs/dbraw/zinc/76/50/64/487765064.db2.gz XPVLHGJSWJJHRV-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000662965778 487774827 /nfs/dbraw/zinc/77/48/27/487774827.db2.gz NVCNRWFCQFOBON-MXWKQRLJSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000674286527 487777348 /nfs/dbraw/zinc/77/73/48/487777348.db2.gz ZOUBWYLGFIRDEO-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309211830 487779949 /nfs/dbraw/zinc/77/99/49/487779949.db2.gz SODDOZGTULRSPL-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251674663 487788129 /nfs/dbraw/zinc/78/81/29/487788129.db2.gz HQFUBBMFZHMTJI-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251674663 487788138 /nfs/dbraw/zinc/78/81/38/487788138.db2.gz HQFUBBMFZHMTJI-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335616217 487798292 /nfs/dbraw/zinc/79/82/92/487798292.db2.gz RHMMLOXETWAHKL-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)CC[C@H]1[NH3+] ZINC000251837551 487801494 /nfs/dbraw/zinc/80/14/94/487801494.db2.gz QLTUEDSJNNIRNR-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)CC[C@H]1[NH3+] ZINC000251837551 487801496 /nfs/dbraw/zinc/80/14/96/487801496.db2.gz QLTUEDSJNNIRNR-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300528613 487808212 /nfs/dbraw/zinc/80/82/12/487808212.db2.gz GZDIHWDUHQETOA-YPMHNXCESA-N 2 1 239.363 0.573 20 0 BCADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414745108 487821419 /nfs/dbraw/zinc/82/14/19/487821419.db2.gz PBALKYKNSPEJLI-VWYCJHECSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@]1(CO)CCC[N@@H+](CCC[NH3+])C1 ZINC000414752712 487821813 /nfs/dbraw/zinc/82/18/13/487821813.db2.gz CLTNPQTUPYSHPS-NSHDSACASA-N 2 1 200.326 0.820 20 0 BCADMP CC[N@H+](CCC[NH3+])C[C@H](O)C(F)(F)F ZINC000414750350 487821854 /nfs/dbraw/zinc/82/18/54/487821854.db2.gz XOURWIHDSSFXDI-ZETCQYMHSA-N 2 1 214.231 0.580 20 0 BCADMP CC[N@@H+](CCC[NH3+])C[C@H](O)C(F)(F)F ZINC000414750350 487821857 /nfs/dbraw/zinc/82/18/57/487821857.db2.gz XOURWIHDSSFXDI-ZETCQYMHSA-N 2 1 214.231 0.580 20 0 BCADMP CC[N@H+](CCC[NH3+])C[C@@H](O)C(F)(F)F ZINC000414750349 487822181 /nfs/dbraw/zinc/82/21/81/487822181.db2.gz XOURWIHDSSFXDI-SSDOTTSWSA-N 2 1 214.231 0.580 20 0 BCADMP CC[N@@H+](CCC[NH3+])C[C@@H](O)C(F)(F)F ZINC000414750349 487822186 /nfs/dbraw/zinc/82/21/86/487822186.db2.gz XOURWIHDSSFXDI-SSDOTTSWSA-N 2 1 214.231 0.580 20 0 BCADMP CCOCCOCC[N@@H+](C)CCC[NH3+] ZINC000414760391 487823217 /nfs/dbraw/zinc/82/32/17/487823217.db2.gz YLWNFCOPJZFNGQ-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP [NH3+]CCC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000415111996 487838614 /nfs/dbraw/zinc/83/86/14/487838614.db2.gz VEPSJQWJJRVTNO-ZDUSSCGKSA-N 2 1 236.315 0.595 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000493239877 528829465 /nfs/dbraw/zinc/82/94/65/528829465.db2.gz ZXZGCWQEHJCURC-KRZKBDHCSA-N 2 1 241.379 0.949 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000224621882 487848904 /nfs/dbraw/zinc/84/89/04/487848904.db2.gz GKVZAFFYMNZIIH-GARJFASQSA-N 2 1 230.377 0.788 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000224621882 487848912 /nfs/dbraw/zinc/84/89/12/487848912.db2.gz GKVZAFFYMNZIIH-GARJFASQSA-N 2 1 230.377 0.788 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704849 487863049 /nfs/dbraw/zinc/86/30/49/487863049.db2.gz STFLCDFDCPZDFY-WCQYABFASA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704849 487863053 /nfs/dbraw/zinc/86/30/53/487863053.db2.gz STFLCDFDCPZDFY-WCQYABFASA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000403808061 487891706 /nfs/dbraw/zinc/89/17/06/487891706.db2.gz JYQQVZXUPITFHU-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403818394 487891784 /nfs/dbraw/zinc/89/17/84/487891784.db2.gz MOOZXJKEYPMKIK-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C=Cn1cc(C[N@H+](C)CC2CN(C)C2)cn1 ZINC000668539860 487906713 /nfs/dbraw/zinc/90/67/13/487906713.db2.gz OLIXGGWIJHCUED-UHFFFAOYSA-N 2 1 220.320 0.977 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000582554318 487917017 /nfs/dbraw/zinc/91/70/17/487917017.db2.gz JQIAJSZTEKLHHI-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000582554318 487917023 /nfs/dbraw/zinc/91/70/23/487917023.db2.gz JQIAJSZTEKLHHI-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000582554318 487917029 /nfs/dbraw/zinc/91/70/29/487917029.db2.gz JQIAJSZTEKLHHI-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157800568 487921206 /nfs/dbraw/zinc/92/12/06/487921206.db2.gz RXSKOXKTZIQRGW-RYUDHWBXSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000679354766 487927109 /nfs/dbraw/zinc/92/71/09/487927109.db2.gz ZNHZVHLGTLQRJQ-SRVKXCTJSA-N 2 1 239.363 0.489 20 0 BCADMP C[NH2+]CCN(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417550315 487935092 /nfs/dbraw/zinc/93/50/92/487935092.db2.gz KZGFMTXNNRLKOE-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188754164 487949384 /nfs/dbraw/zinc/94/93/84/487949384.db2.gz VPNJJOLQFVLFAD-GXSJLCMTSA-N 2 1 243.326 0.287 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046111 323005888 /nfs/dbraw/zinc/00/58/88/323005888.db2.gz CIRLLYIUEFXPPU-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046111 323005889 /nfs/dbraw/zinc/00/58/89/323005889.db2.gz CIRLLYIUEFXPPU-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC000561767480 323006560 /nfs/dbraw/zinc/00/65/60/323006560.db2.gz WVHYGNPPUFHBFF-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC000561767480 323006561 /nfs/dbraw/zinc/00/65/61/323006561.db2.gz WVHYGNPPUFHBFF-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000566678754 323010272 /nfs/dbraw/zinc/01/02/72/323010272.db2.gz JLLMYQMDIYQLSH-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000565211995 323033686 /nfs/dbraw/zinc/03/36/86/323033686.db2.gz GKYSXDRUFVLHSC-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569723316 323038818 /nfs/dbraw/zinc/03/88/18/323038818.db2.gz JDTGUVBDJCIVHO-JQWIXIFHSA-N 2 1 227.352 0.442 20 0 BCADMP COCCC[N@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569745380 323039683 /nfs/dbraw/zinc/03/96/83/323039683.db2.gz UYDPKSGVZKUCIE-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569745380 323039684 /nfs/dbraw/zinc/03/96/84/323039684.db2.gz UYDPKSGVZKUCIE-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000569859907 323043291 /nfs/dbraw/zinc/04/32/91/323043291.db2.gz FASIHQNXNFAEKE-YUMQZZPRSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000569859901 323043307 /nfs/dbraw/zinc/04/33/07/323043307.db2.gz FASIHQNXNFAEKE-HTQZYQBOSA-N 2 1 235.278 0.085 20 0 BCADMP CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000569962456 323045798 /nfs/dbraw/zinc/04/57/98/323045798.db2.gz YDGCXUVDMBVQDB-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000569962455 323045920 /nfs/dbraw/zinc/04/59/20/323045920.db2.gz YDGCXUVDMBVQDB-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000570165794 323051651 /nfs/dbraw/zinc/05/16/51/323051651.db2.gz CVBOTGPIEDJAPQ-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000570570893 323063569 /nfs/dbraw/zinc/06/35/69/323063569.db2.gz JNYBEPOHZVZATO-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+](CCOC[C@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682814 323066896 /nfs/dbraw/zinc/06/68/96/323066896.db2.gz ANIOOTRJWNXPJJ-OLZOCXBDSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778949 323068567 /nfs/dbraw/zinc/06/85/67/323068567.db2.gz ZWSNIPDZOFTJIX-LBPRGKRZSA-N 2 1 244.379 0.582 20 0 BCADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000570918476 323074309 /nfs/dbraw/zinc/07/43/09/323074309.db2.gz PGJTZEDQVLDDFD-VXGBXAGGSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000562981446 323077868 /nfs/dbraw/zinc/07/78/68/323077868.db2.gz LYIFCZNSGCMAIH-MXWKQRLJSA-N 2 1 227.352 0.380 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000563086895 323090673 /nfs/dbraw/zinc/09/06/73/323090673.db2.gz VBZYPGDHYVAGJH-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105723 323092661 /nfs/dbraw/zinc/09/26/61/323092661.db2.gz RGZBEKFHMJJLFK-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)C1C[NH2+]C1 ZINC000571043948 323105087 /nfs/dbraw/zinc/10/50/87/323105087.db2.gz GOXMBVHKVULHAB-SNVBAGLBSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[NH3+])CC1 ZINC000563276153 323107421 /nfs/dbraw/zinc/10/74/21/323107421.db2.gz ZNMLXSMCHNRBKY-VIFPVBQESA-N 2 1 238.339 0.332 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)COC)[C@H](C)C1 ZINC000531711375 323112012 /nfs/dbraw/zinc/11/20/12/323112012.db2.gz VPRHVFXNIMMSFP-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563622002 323132001 /nfs/dbraw/zinc/13/20/01/323132001.db2.gz CBIPRZAJRSBBRG-AVGNSLFASA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563622002 323132002 /nfs/dbraw/zinc/13/20/02/323132002.db2.gz CBIPRZAJRSBBRG-AVGNSLFASA-N 3 1 223.364 0.527 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000571297439 323140723 /nfs/dbraw/zinc/14/07/23/323140723.db2.gz MXAQNOBYEHZNOP-YUMQZZPRSA-N 2 1 207.268 0.440 20 0 BCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579714 323148323 /nfs/dbraw/zinc/14/83/23/323148323.db2.gz KJWJCBVAORVXAV-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308966715 323182789 /nfs/dbraw/zinc/18/27/89/323182789.db2.gz WHQDWUPACRYJAR-VHSXEESVSA-N 2 1 211.309 0.976 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182679 323205762 /nfs/dbraw/zinc/20/57/62/323205762.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCC[NH2+]1 ZINC000530182679 323205763 /nfs/dbraw/zinc/20/57/63/323205763.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCC[NH2+]1 ZINC000530182679 323205764 /nfs/dbraw/zinc/20/57/64/323205764.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 2 1 239.363 0.191 20 0 BCADMP CCn1nncc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000530207785 323209492 /nfs/dbraw/zinc/20/94/92/323209492.db2.gz GCZIMQLMNJKFDS-RKDXNWHRSA-N 2 1 211.313 0.513 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)CC[N@H+]1C ZINC000530222436 323218330 /nfs/dbraw/zinc/21/83/30/323218330.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCN1CCOCC1 ZINC000565155141 323319838 /nfs/dbraw/zinc/31/98/38/323319838.db2.gz CPPOTINEAVZSFA-QWHCGFSZSA-N 2 1 241.379 0.520 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000571696291 323466087 /nfs/dbraw/zinc/46/60/87/323466087.db2.gz WCMWALBKEJKQSC-QMMMGPOBSA-N 2 1 235.278 0.166 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913249 487964931 /nfs/dbraw/zinc/96/49/31/487964931.db2.gz YOVOPUSCSUIOSH-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913240 487965666 /nfs/dbraw/zinc/96/56/66/487965666.db2.gz QKFCMCJFSUMOSS-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP CC[N@@H+](CC(=O)N1CCN(C)CC1)C1CC1 ZINC000130121254 325015680 /nfs/dbraw/zinc/01/56/80/325015680.db2.gz DADMSKUUCFPART-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP CCN(CC(=O)N1CCN(C)CC1)C1CC1 ZINC000130121254 325015682 /nfs/dbraw/zinc/01/56/82/325015682.db2.gz DADMSKUUCFPART-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000131808712 325185345 /nfs/dbraw/zinc/18/53/45/325185345.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132936986 325255031 /nfs/dbraw/zinc/25/50/31/325255031.db2.gz DIDCVDIMUICVEU-VXGBXAGGSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000132973190 325257888 /nfs/dbraw/zinc/25/78/88/325257888.db2.gz OQVMXYUGNLLGJF-HBNTYKKESA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000076002349 325325169 /nfs/dbraw/zinc/32/51/69/325325169.db2.gz YEQNUQDRAUQGEH-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000076002349 325325172 /nfs/dbraw/zinc/32/51/72/325325172.db2.gz YEQNUQDRAUQGEH-ZDUSSCGKSA-N 2 1 244.379 0.659 20 0 BCADMP C[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000552883313 325668556 /nfs/dbraw/zinc/66/85/56/325668556.db2.gz XNEOBVGBUIZSHL-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCOCC1 ZINC000565046466 325851189 /nfs/dbraw/zinc/85/11/89/325851189.db2.gz LPYSTWDNPLKNFX-OLZOCXBDSA-N 2 1 239.363 0.002 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000566206426 326005274 /nfs/dbraw/zinc/00/52/74/326005274.db2.gz KILIKXWBTUKCNF-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000566216019 326016649 /nfs/dbraw/zinc/01/66/49/326016649.db2.gz INZSWXZFVUSHOO-YPMHNXCESA-N 2 1 242.363 0.864 20 0 BCADMP C[NH2+]CCCN(C)C(=O)CC(F)(F)C[NH3+] ZINC000566406007 326040845 /nfs/dbraw/zinc/04/08/45/326040845.db2.gz FTDKZOCOEGRTTJ-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000566412406 326040985 /nfs/dbraw/zinc/04/09/85/326040985.db2.gz VVXJQGGKRWRZRQ-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412295 326041508 /nfs/dbraw/zinc/04/15/08/326041508.db2.gz DWSPMIBWYDANHM-YNEHKIRRSA-N 2 1 241.379 0.519 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000566412408 326041524 /nfs/dbraw/zinc/04/15/24/326041524.db2.gz VVXJQGGKRWRZRQ-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000566417633 326043384 /nfs/dbraw/zinc/04/33/84/326043384.db2.gz ZPBTVVGTKPUJIM-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000566417633 326043387 /nfs/dbraw/zinc/04/33/87/326043387.db2.gz ZPBTVVGTKPUJIM-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571829 326065308 /nfs/dbraw/zinc/06/53/08/326065308.db2.gz JZDMNQSSRXMXKI-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739977 326079149 /nfs/dbraw/zinc/07/91/49/326079149.db2.gz LASWGRCEEFISKT-MWGHHZFTSA-N 2 1 237.347 0.323 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1C ZINC000566913100 326091529 /nfs/dbraw/zinc/09/15/29/326091529.db2.gz QYKUEFABNLNTPD-NSHDSACASA-N 2 1 238.335 0.777 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566982798 326100286 /nfs/dbraw/zinc/10/02/86/326100286.db2.gz NGBCIMHVLHRGLE-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])[C@H](C)C[NH2+]1 ZINC000567057619 326108061 /nfs/dbraw/zinc/10/80/61/326108061.db2.gz RTHFGQGOAFTJTE-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP COC[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000567177008 326129929 /nfs/dbraw/zinc/12/99/29/326129929.db2.gz WYVUHUNQVJUOFK-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354092 326172060 /nfs/dbraw/zinc/17/20/60/326172060.db2.gz XAQWVDNWXXWZMI-YFKTTZPYSA-N 2 1 239.363 0.522 20 0 BCADMP CCC[C@@H](C(=O)NCC[N@@H+](C)CC)[NH+](C)C ZINC000155882042 326213650 /nfs/dbraw/zinc/21/36/50/326213650.db2.gz SZRBUJDTSPCUBO-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310250759 326188323 /nfs/dbraw/zinc/18/83/23/326188323.db2.gz NZJXIZZAWVUTME-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)CCC[NH3+] ZINC000567477799 326200598 /nfs/dbraw/zinc/20/05/98/326200598.db2.gz VJQRLKUVYJPUEY-UHFFFAOYSA-N 2 1 244.383 0.709 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000155671824 326206737 /nfs/dbraw/zinc/20/67/37/326206737.db2.gz SGJIBCANTVMYQU-GFCCVEGCSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000567505068 326206749 /nfs/dbraw/zinc/20/67/49/326206749.db2.gz LFXSQZYDIZCPQQ-VWYCJHECSA-N 2 1 227.352 0.428 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)[C@H](C)CN ZINC000567736087 326253298 /nfs/dbraw/zinc/25/32/98/326253298.db2.gz HBLZKBNTWPZJHL-SECBINFHSA-N 2 1 201.314 0.134 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@H](C)CN ZINC000567736087 326253299 /nfs/dbraw/zinc/25/32/99/326253299.db2.gz HBLZKBNTWPZJHL-SECBINFHSA-N 2 1 201.314 0.134 20 0 BCADMP CC(C)C[N@H+]1CCC[C@H](CNC(N)=[NH2+])C1 ZINC000157362632 326270883 /nfs/dbraw/zinc/27/08/83/326270883.db2.gz ZGWBOVUSFLTBBD-SNVBAGLBSA-N 2 1 212.341 0.837 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000567914673 326282808 /nfs/dbraw/zinc/28/28/08/326282808.db2.gz DVDKLIIBKNDGLO-BDAKNGLRSA-N 2 1 247.289 0.194 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000158305850 326315074 /nfs/dbraw/zinc/31/50/74/326315074.db2.gz DPADAZYLGXCWQD-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000158305850 326315077 /nfs/dbraw/zinc/31/50/77/326315077.db2.gz DPADAZYLGXCWQD-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321452 /nfs/dbraw/zinc/32/14/52/326321452.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321454 /nfs/dbraw/zinc/32/14/54/326321454.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321455 /nfs/dbraw/zinc/32/14/55/326321455.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000568393441 326353597 /nfs/dbraw/zinc/35/35/97/326353597.db2.gz AXOIHJMJZCBENH-MDZLAQPJSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000568393441 326353599 /nfs/dbraw/zinc/35/35/99/326353599.db2.gz AXOIHJMJZCBENH-MDZLAQPJSA-N 2 1 242.363 0.192 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000568396834 326354297 /nfs/dbraw/zinc/35/42/97/326354297.db2.gz YJDHPQAXDVAZFD-GFCCVEGCSA-N 2 1 235.335 0.354 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000568396834 326354300 /nfs/dbraw/zinc/35/43/00/326354300.db2.gz YJDHPQAXDVAZFD-GFCCVEGCSA-N 2 1 235.335 0.354 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000568499514 326359683 /nfs/dbraw/zinc/35/96/83/326359683.db2.gz KKJXHBNNHPUOGS-GRYCIOLGSA-N 2 1 239.363 0.857 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362920 /nfs/dbraw/zinc/36/29/20/326362920.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 1 200.326 0.639 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362922 /nfs/dbraw/zinc/36/29/22/326362922.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 1 200.326 0.639 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000568760724 326375552 /nfs/dbraw/zinc/37/55/52/326375552.db2.gz XGUPEWLCPJQBDV-SSDOTTSWSA-N 2 1 242.348 0.315 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000568869401 326380466 /nfs/dbraw/zinc/38/04/66/326380466.db2.gz ZMLYDHBTEYQVGX-HBNTYKKESA-N 2 1 227.352 0.665 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000568900722 326382154 /nfs/dbraw/zinc/38/21/54/326382154.db2.gz DHQWVAOAUYNQRJ-VIFPVBQESA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000569105957 326390341 /nfs/dbraw/zinc/39/03/41/326390341.db2.gz DFWHCWPBYBRLAT-UKKRHICBSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000569105958 326390535 /nfs/dbraw/zinc/39/05/35/326390535.db2.gz DFWHCWPBYBRLAT-ZNSHCXBVSA-N 2 1 225.336 0.323 20 0 BCADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000569104815 326390540 /nfs/dbraw/zinc/39/05/40/326390540.db2.gz YSQRDEIVZCVMLV-OLZOCXBDSA-N 2 1 239.363 0.002 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677183517 487986116 /nfs/dbraw/zinc/98/61/16/487986116.db2.gz VHZANHPEPMIWDH-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CC)[C@H](C)C1 ZINC000677183517 487986123 /nfs/dbraw/zinc/98/61/23/487986123.db2.gz VHZANHPEPMIWDH-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC)[C@H](C)C1 ZINC000677183517 487986127 /nfs/dbraw/zinc/98/61/27/487986127.db2.gz VHZANHPEPMIWDH-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677183517 487986130 /nfs/dbraw/zinc/98/61/30/487986130.db2.gz VHZANHPEPMIWDH-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)[NH+](C)C ZINC000677182365 487993389 /nfs/dbraw/zinc/99/33/89/487993389.db2.gz FYMNVDQEHAAIPN-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)[NH+](C)C ZINC000677182365 487993394 /nfs/dbraw/zinc/99/33/94/487993394.db2.gz FYMNVDQEHAAIPN-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000677184082 487992941 /nfs/dbraw/zinc/99/29/41/487992941.db2.gz JSYBXSVPSNJDCQ-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677184082 487992945 /nfs/dbraw/zinc/99/29/45/487992945.db2.gz JSYBXSVPSNJDCQ-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000235739779 488012976 /nfs/dbraw/zinc/01/29/76/488012976.db2.gz AACUOWAMOXRTCO-ZDUSSCGKSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000235741080 488013059 /nfs/dbraw/zinc/01/30/59/488013059.db2.gz GZDIHWDUHQETOA-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000388072668 488019755 /nfs/dbraw/zinc/01/97/55/488019755.db2.gz QUZZDKQDCRKBRE-NEPJUHHUSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000388072668 488019761 /nfs/dbraw/zinc/01/97/61/488019761.db2.gz QUZZDKQDCRKBRE-NEPJUHHUSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388072668 488019766 /nfs/dbraw/zinc/01/97/66/488019766.db2.gz QUZZDKQDCRKBRE-NEPJUHHUSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388072668 488019770 /nfs/dbraw/zinc/01/97/70/488019770.db2.gz QUZZDKQDCRKBRE-NEPJUHHUSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000388072670 488020132 /nfs/dbraw/zinc/02/01/32/488020132.db2.gz QUZZDKQDCRKBRE-RYUDHWBXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000388072670 488020138 /nfs/dbraw/zinc/02/01/38/488020138.db2.gz QUZZDKQDCRKBRE-RYUDHWBXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388072670 488020146 /nfs/dbraw/zinc/02/01/46/488020146.db2.gz QUZZDKQDCRKBRE-RYUDHWBXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388072670 488020148 /nfs/dbraw/zinc/02/01/48/488020148.db2.gz QUZZDKQDCRKBRE-RYUDHWBXSA-N 2 1 244.379 0.390 20 0 BCADMP Cc1noc(C)c1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000677375266 488026381 /nfs/dbraw/zinc/02/63/81/488026381.db2.gz MJNSWUUITJUGJX-TXEJJXNPSA-N 2 1 235.331 0.985 20 0 BCADMP Cc1noc(C)c1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000677375266 488026384 /nfs/dbraw/zinc/02/63/84/488026384.db2.gz MJNSWUUITJUGJX-TXEJJXNPSA-N 2 1 235.331 0.985 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226868736 488033351 /nfs/dbraw/zinc/03/33/51/488033351.db2.gz QBTHYYJPHZBXBS-LPEHRKFASA-N 2 1 213.325 0.193 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000310503670 488035397 /nfs/dbraw/zinc/03/53/97/488035397.db2.gz IQBRBEWPRVRIQQ-STQMWFEESA-N 2 1 246.395 0.948 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655450329 488041034 /nfs/dbraw/zinc/04/10/34/488041034.db2.gz KNBAEZGKKZCBJG-AAEUAGOBSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491123 488052147 /nfs/dbraw/zinc/05/21/47/488052147.db2.gz MPZVWGPWMMMPKE-KOLCDFICSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074419 /nfs/dbraw/zinc/07/44/19/488074419.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074422 /nfs/dbraw/zinc/07/44/22/488074422.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074425 /nfs/dbraw/zinc/07/44/25/488074425.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074427 /nfs/dbraw/zinc/07/44/27/488074427.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074290 /nfs/dbraw/zinc/07/42/90/488074290.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074294 /nfs/dbraw/zinc/07/42/94/488074294.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074299 /nfs/dbraw/zinc/07/42/99/488074299.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074300 /nfs/dbraw/zinc/07/43/00/488074300.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150292 488078492 /nfs/dbraw/zinc/07/84/92/488078492.db2.gz JFOAAVXAXUYPQT-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000257676763 488079085 /nfs/dbraw/zinc/07/90/85/488079085.db2.gz HWHUUSVFCGYSSE-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169807 488079636 /nfs/dbraw/zinc/07/96/36/488079636.db2.gz NNACNANAMJMRME-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000257754447 488088240 /nfs/dbraw/zinc/08/82/40/488088240.db2.gz QFNCFTBKFHBCOP-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000389428795 488095689 /nfs/dbraw/zinc/09/56/89/488095689.db2.gz XNCPAYGUFAVWNL-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437366 488096051 /nfs/dbraw/zinc/09/60/51/488096051.db2.gz MXLRDVYYPUVTHL-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP Cc1[nH+]cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000667712351 488097352 /nfs/dbraw/zinc/09/73/52/488097352.db2.gz DBGSRTUPBBUJOB-GHMZBOCLSA-N 2 1 220.320 0.380 20 0 BCADMP c1nn2c(c1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000667712757 488098392 /nfs/dbraw/zinc/09/83/92/488098392.db2.gz OWBKKOCIQDQVLV-GHMZBOCLSA-N 2 1 232.331 0.481 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000092953195 488104595 /nfs/dbraw/zinc/10/45/95/488104595.db2.gz URTTUQPFZWOWER-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP COc1ccc(C[N@H+](C)CCC[NH3+])cn1 ZINC000166836187 488111346 /nfs/dbraw/zinc/11/13/46/488111346.db2.gz KQBOJZHJXNWIRB-UHFFFAOYSA-N 2 1 209.293 0.871 20 0 BCADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000166836187 488111352 /nfs/dbraw/zinc/11/13/52/488111352.db2.gz KQBOJZHJXNWIRB-UHFFFAOYSA-N 2 1 209.293 0.871 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403140654 488115766 /nfs/dbraw/zinc/11/57/66/488115766.db2.gz CZEHFZNSZYKZBT-WISYIIOYSA-N 2 1 212.337 0.674 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624528 488131390 /nfs/dbraw/zinc/13/13/90/488131390.db2.gz QZSLUVXCUVGFKP-LBPRGKRZSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000674264555 487540874 /nfs/dbraw/zinc/54/08/74/487540874.db2.gz YSKJTJBSNKTCCG-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484924 487471807 /nfs/dbraw/zinc/47/18/07/487471807.db2.gz NNHSCHVNIKOZAT-JTQLQIEISA-N 2 1 213.325 0.052 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+]1C ZINC000086188753 487489561 /nfs/dbraw/zinc/48/95/61/487489561.db2.gz WVWUAEAWLQNHQH-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657975126 487501512 /nfs/dbraw/zinc/50/15/12/487501512.db2.gz XYTYZKPOOOBAHS-NEPJUHHUSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657975126 487501515 /nfs/dbraw/zinc/50/15/15/487501515.db2.gz XYTYZKPOOOBAHS-NEPJUHHUSA-N 2 1 244.404 0.928 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000161609026 487506582 /nfs/dbraw/zinc/50/65/82/487506582.db2.gz DYXBCIODODQUAN-HRDYMLBCSA-N 2 1 229.349 0.035 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000300375672 487511966 /nfs/dbraw/zinc/51/19/66/487511966.db2.gz PUDUUIKLSKSJSW-WDEREUQCSA-N 2 1 216.325 0.189 20 0 BCADMP O[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000107153146 487507657 /nfs/dbraw/zinc/50/76/57/487507657.db2.gz NLECTWJKKXZURH-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP O[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000107153157 487507739 /nfs/dbraw/zinc/50/77/39/487507739.db2.gz XPVLHGJSWJJHRV-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808883 487507858 /nfs/dbraw/zinc/50/78/58/487507858.db2.gz QNXVJQNQPJJPIU-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808885 487507874 /nfs/dbraw/zinc/50/78/74/487507874.db2.gz QNXVJQNQPJJPIU-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161651672 487508334 /nfs/dbraw/zinc/50/83/34/487508334.db2.gz KCOBAGYGJZXEGU-QWRGUYRKSA-N 2 1 227.352 0.713 20 0 BCADMP Cc1ncc(C[N@H+]2CCC[C@](O)(CO)C2)n1C ZINC000668234698 487509736 /nfs/dbraw/zinc/50/97/36/487509736.db2.gz QXGHOOIWNWGRKK-GFCCVEGCSA-N 2 1 239.319 0.048 20 0 BCADMP Cc1cccnc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000161851028 487521927 /nfs/dbraw/zinc/52/19/27/487521927.db2.gz KVIQYKGTDSAWOL-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236764325 488147746 /nfs/dbraw/zinc/14/77/46/488147746.db2.gz NWVMCYOKKCUWMQ-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373108 488164358 /nfs/dbraw/zinc/16/43/58/488164358.db2.gz CDJWIPIFSPDBAK-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677974103 488167863 /nfs/dbraw/zinc/16/78/63/488167863.db2.gz DYPXJRJTGKGGEX-SRVKXCTJSA-N 2 1 241.379 0.878 20 0 BCADMP C[N@@H+](CC[C@@H]1CCCO1)CCN1CC[NH2+]CC1 ZINC000087266423 487629701 /nfs/dbraw/zinc/62/97/01/487629701.db2.gz JMRYMSGMAWOEDQ-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP Cc1[nH+]cc(CN2CC[C@H]([NH+](C)C)C2)n1C ZINC000668160737 487856510 /nfs/dbraw/zinc/85/65/10/487856510.db2.gz DOWMQTWJDNELPJ-NSHDSACASA-N 2 1 222.336 0.864 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000309217114 488059506 /nfs/dbraw/zinc/05/95/06/488059506.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CO ZINC000309217114 488059514 /nfs/dbraw/zinc/05/95/14/488059514.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309217114 488059521 /nfs/dbraw/zinc/05/95/21/488059521.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309217114 488059523 /nfs/dbraw/zinc/05/95/23/488059523.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000309215463 488059684 /nfs/dbraw/zinc/05/96/84/488059684.db2.gz FLZTZJPIWIIGAU-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000309215463 488059687 /nfs/dbraw/zinc/05/96/87/488059687.db2.gz FLZTZJPIWIIGAU-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000309215463 488059690 /nfs/dbraw/zinc/05/96/90/488059690.db2.gz FLZTZJPIWIIGAU-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000309215463 488059692 /nfs/dbraw/zinc/05/96/92/488059692.db2.gz FLZTZJPIWIIGAU-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000309215765 488059801 /nfs/dbraw/zinc/05/98/01/488059801.db2.gz FLZTZJPIWIIGAU-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000309215765 488059802 /nfs/dbraw/zinc/05/98/02/488059802.db2.gz FLZTZJPIWIIGAU-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000309215765 488059805 /nfs/dbraw/zinc/05/98/05/488059805.db2.gz FLZTZJPIWIIGAU-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000309215765 488059806 /nfs/dbraw/zinc/05/98/06/488059806.db2.gz FLZTZJPIWIIGAU-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379446766 488137453 /nfs/dbraw/zinc/13/74/53/488137453.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379446766 488137457 /nfs/dbraw/zinc/13/74/57/488137457.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H](C)C1 ZINC000379446766 488137459 /nfs/dbraw/zinc/13/74/59/488137459.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258815730 488137496 /nfs/dbraw/zinc/13/74/96/488137496.db2.gz XLUKEQFNOSMTKE-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775573 488156819 /nfs/dbraw/zinc/15/68/19/488156819.db2.gz FZHIHBBOYKWGGQ-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335569353 488165457 /nfs/dbraw/zinc/16/54/57/488165457.db2.gz XUSMAQHWCCJSHX-ONGXEEELSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335569353 488165459 /nfs/dbraw/zinc/16/54/59/488165459.db2.gz XUSMAQHWCCJSHX-ONGXEEELSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000380042020 488169547 /nfs/dbraw/zinc/16/95/47/488169547.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CO ZINC000380042020 488169551 /nfs/dbraw/zinc/16/95/51/488169551.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CO ZINC000380042020 488169554 /nfs/dbraw/zinc/16/95/54/488169554.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CO ZINC000380042020 488169559 /nfs/dbraw/zinc/16/95/59/488169559.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 2 1 218.341 0.000 20 0 BCADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)[NH3+] ZINC000322380580 488182975 /nfs/dbraw/zinc/18/29/75/488182975.db2.gz MZLFWYLLTXOONB-RTWBTXMESA-N 2 1 239.363 0.711 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322380576 488183199 /nfs/dbraw/zinc/18/31/99/488183199.db2.gz MZLFWYLLTXOONB-IACCCYARSA-N 2 1 239.363 0.711 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000299963138 488195588 /nfs/dbraw/zinc/19/55/88/488195588.db2.gz VJDFQPGMRPFVAZ-WDEREUQCSA-N 2 1 225.336 0.054 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000398073943 488207505 /nfs/dbraw/zinc/20/75/05/488207505.db2.gz AVAUGHRBQPFWQP-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP c1cc2n(n1)C[C@@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202700 488275974 /nfs/dbraw/zinc/27/59/74/488275974.db2.gz XUKIOGYQOKAFRY-UTUOFQBUSA-N 2 1 247.346 0.076 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078698746 490057839 /nfs/dbraw/zinc/05/78/39/490057839.db2.gz MGNQAMUHMVOTNS-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP c1nnc2n1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000081526756 490198988 /nfs/dbraw/zinc/19/89/88/490198988.db2.gz OHEBUBVYROTDBF-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP c1nnc2n1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000081526756 490198992 /nfs/dbraw/zinc/19/89/92/490198992.db2.gz OHEBUBVYROTDBF-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000078711938 490220063 /nfs/dbraw/zinc/22/00/63/490220063.db2.gz IRWLRKFJNQOKBP-UWVGGRQHSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]([C@H](C)O)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823080 490238668 /nfs/dbraw/zinc/23/86/68/490238668.db2.gz KNSWPWURGNGKFY-OUAUKWLOSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H]([C@H](C)O)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823080 490238676 /nfs/dbraw/zinc/23/86/76/490238676.db2.gz KNSWPWURGNGKFY-OUAUKWLOSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H]([C@H](C)O)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823080 490238681 /nfs/dbraw/zinc/23/86/81/490238681.db2.gz KNSWPWURGNGKFY-OUAUKWLOSA-N 2 1 200.326 0.639 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000308924523 491050495 /nfs/dbraw/zinc/05/04/95/491050495.db2.gz HVTYVDKJBOLYSK-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000309481451 491055650 /nfs/dbraw/zinc/05/56/50/491055650.db2.gz DVCZUURBLFROHW-HLTSFMKQSA-N 2 1 238.253 0.451 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491849942 491080869 /nfs/dbraw/zinc/08/08/69/491080869.db2.gz XALZESZJGYBWOV-BYCRGOAPSA-N 2 1 237.347 0.457 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)C)CC[N@H+]1C ZINC000132209266 491134784 /nfs/dbraw/zinc/13/47/84/491134784.db2.gz MYAGVJIDDSEIBY-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H](CC[N@@H+](C)CCCO)[NH+](C)CCCO ZINC000440943600 582497033 /nfs/dbraw/zinc/49/70/33/582497033.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@@H](CC[NH+](C)CCCO)[N@H+](C)CCCO ZINC000440943600 582497035 /nfs/dbraw/zinc/49/70/35/582497035.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@@H](CC[NH+](C)CCCO)[N@@H+](C)CCCO ZINC000440943600 582497037 /nfs/dbraw/zinc/49/70/37/582497037.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400367320 533857805 /nfs/dbraw/zinc/85/78/05/533857805.db2.gz SEFZBOJMUSTQNM-STQMWFEESA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400438628 533859137 /nfs/dbraw/zinc/85/91/37/533859137.db2.gz LVOABESDBLMUGI-RYUDHWBXSA-N 3 1 229.368 0.295 20 0 BCADMP CC(C)C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000037887205 517426298 /nfs/dbraw/zinc/42/62/98/517426298.db2.gz CZYMHFHLJDNFLP-MNOVXSKESA-N 2 1 202.342 0.933 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892045213 582773634 /nfs/dbraw/zinc/77/36/34/582773634.db2.gz RJKDCAHFPWGGOJ-SNVBAGLBSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000418379447 534343793 /nfs/dbraw/zinc/34/37/93/534343793.db2.gz KMFNJQUBDWTSJT-AXFHLTTASA-N 2 1 240.351 0.082 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000892274413 582824895 /nfs/dbraw/zinc/82/48/95/582824895.db2.gz QKVZAIHINBYQHR-HBNTYKKESA-N 2 1 240.351 0.212 20 0 BCADMP CN(C)C(=O)NCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262000789 536377979 /nfs/dbraw/zinc/37/79/79/536377979.db2.gz LFWZVZUQCFUIOT-GFCCVEGCSA-N 2 1 242.367 0.189 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262000789 536377980 /nfs/dbraw/zinc/37/79/80/536377980.db2.gz LFWZVZUQCFUIOT-GFCCVEGCSA-N 2 1 242.367 0.189 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)COC)C[C@H]1C ZINC000508874979 527754557 /nfs/dbraw/zinc/75/45/57/527754557.db2.gz PLPOUKIMAULKGI-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C[C@H]1C ZINC000508874979 527754560 /nfs/dbraw/zinc/75/45/60/527754560.db2.gz PLPOUKIMAULKGI-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C[C@H]1C ZINC000508874979 527754563 /nfs/dbraw/zinc/75/45/63/527754563.db2.gz PLPOUKIMAULKGI-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000493654558 528825558 /nfs/dbraw/zinc/82/55/58/528825558.db2.gz ZXZGCWQEHJCURC-QDZRJHCZSA-N 2 1 241.379 0.949 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000493239873 528829141 /nfs/dbraw/zinc/82/91/41/528829141.db2.gz ZXZGCWQEHJCURC-GUOLPTJISA-N 2 1 241.379 0.949 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400457179 529124963 /nfs/dbraw/zinc/12/49/63/529124963.db2.gz QEKTWOFVRAMBSN-GHMZBOCLSA-N 2 1 227.352 0.631 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261858863 534986588 /nfs/dbraw/zinc/98/65/88/534986588.db2.gz SCLVOBCVOWHYPG-AAEUAGOBSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261858863 534986590 /nfs/dbraw/zinc/98/65/90/534986590.db2.gz SCLVOBCVOWHYPG-AAEUAGOBSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179050629 534995302 /nfs/dbraw/zinc/99/53/02/534995302.db2.gz JRCNCWSJMJWWDY-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223646909 535160964 /nfs/dbraw/zinc/16/09/64/535160964.db2.gz ZSEGQNVXHALTGD-SDDRHHMPSA-N 2 1 214.353 0.933 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000166636839 535224565 /nfs/dbraw/zinc/22/45/65/535224565.db2.gz OSUMFKHRRBLBKP-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698204 535356970 /nfs/dbraw/zinc/35/69/70/535356970.db2.gz LREBMKWKTPISTH-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698204 535356972 /nfs/dbraw/zinc/35/69/72/535356972.db2.gz LREBMKWKTPISTH-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929263 535480706 /nfs/dbraw/zinc/48/07/06/535480706.db2.gz YRZLHLMXRNVANT-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335957371 535534851 /nfs/dbraw/zinc/53/48/51/535534851.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335957371 535534858 /nfs/dbraw/zinc/53/48/58/535534858.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335957371 535534861 /nfs/dbraw/zinc/53/48/61/535534861.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364601 535572747 /nfs/dbraw/zinc/57/27/47/535572747.db2.gz UNJCFRKZNNDVCV-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000335953734 535633309 /nfs/dbraw/zinc/63/33/09/535633309.db2.gz HHBHLTSUKMZUQN-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000335953734 535633317 /nfs/dbraw/zinc/63/33/17/535633317.db2.gz HHBHLTSUKMZUQN-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000335953734 535633324 /nfs/dbraw/zinc/63/33/24/535633324.db2.gz HHBHLTSUKMZUQN-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000335953734 535633327 /nfs/dbraw/zinc/63/33/27/535633327.db2.gz HHBHLTSUKMZUQN-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167429809 535805002 /nfs/dbraw/zinc/80/50/02/535805002.db2.gz YBYLBZCCQXIDPV-WDEREUQCSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182964026 535812200 /nfs/dbraw/zinc/81/22/00/535812200.db2.gz RGZRPOJJGGTAPB-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226877409 535995205 /nfs/dbraw/zinc/99/52/05/535995205.db2.gz JLIZYVNVYCTDJS-DCAQKATOSA-N 2 1 200.326 0.830 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000348220397 536344550 /nfs/dbraw/zinc/34/45/50/536344550.db2.gz DWUOEDZOZNDWCR-CYBMUJFWSA-N 2 1 249.358 0.841 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000334376946 536345441 /nfs/dbraw/zinc/34/54/41/536345441.db2.gz FQDTVHXAQPNHOQ-GFCCVEGCSA-N 2 1 234.347 0.951 20 0 BCADMP CNC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000336197908 536422897 /nfs/dbraw/zinc/42/28/97/536422897.db2.gz RKNDARJAIRJNKB-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261532458 536603429 /nfs/dbraw/zinc/60/34/29/536603429.db2.gz BWVILGDTDLKLMI-MNOVXSKESA-N 2 1 228.336 0.727 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261999390 536603636 /nfs/dbraw/zinc/60/36/36/536603636.db2.gz LELBTJJVJWJBKL-ZYHUDNBSSA-N 2 1 228.336 0.727 20 0 BCADMP CC[NH+]1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892861271 582998470 /nfs/dbraw/zinc/99/84/70/582998470.db2.gz RPCNAXDENJGINK-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853097704 588719634 /nfs/dbraw/zinc/71/96/34/588719634.db2.gz HDMRHKSWVBVEOQ-CYBMUJFWSA-N 2 1 246.314 0.910 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000854232820 588781532 /nfs/dbraw/zinc/78/15/32/588781532.db2.gz UZEGEXYMIKZZSL-JTQLQIEISA-N 2 1 228.336 0.870 20 0 BCADMP CCC[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000891479330 582692310 /nfs/dbraw/zinc/69/23/10/582692310.db2.gz JNBSMMDXXREHEJ-UHFFFAOYSA-N 2 1 235.335 0.899 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891996944 582757422 /nfs/dbraw/zinc/75/74/22/582757422.db2.gz MSBUCIZDFAQYGS-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CCCNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020366 582828499 /nfs/dbraw/zinc/82/84/99/582828499.db2.gz AEJFYWJTBSHCFL-VIFPVBQESA-N 2 1 221.308 0.722 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000850479843 582919934 /nfs/dbraw/zinc/91/99/34/582919934.db2.gz DGDGCNFOKSFBAU-WDEREUQCSA-N 2 1 215.341 0.552 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612921 582929526 /nfs/dbraw/zinc/92/95/26/582929526.db2.gz GJWCHJKJCYGLPW-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614508 582930176 /nfs/dbraw/zinc/93/01/76/582930176.db2.gz QWBAFPOKXFTCOO-ZYHUDNBSSA-N 2 1 228.336 0.869 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864270 583021440 /nfs/dbraw/zinc/02/14/40/583021440.db2.gz QROOERNIMHCFPU-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000893694481 583202326 /nfs/dbraw/zinc/20/23/26/583202326.db2.gz VSISALBFKZOPCZ-CYBMUJFWSA-N 2 1 249.362 0.867 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)CC1(C)C ZINC000858100890 583214870 /nfs/dbraw/zinc/21/48/70/583214870.db2.gz QZMVEKFJSHHAJT-RYUDHWBXSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1CN(C)C(=O)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893885314 583240683 /nfs/dbraw/zinc/24/06/83/583240683.db2.gz MTMFKZPWDOATMA-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C)C(=O)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893885314 583240684 /nfs/dbraw/zinc/24/06/84/583240684.db2.gz MTMFKZPWDOATMA-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877250381 583305008 /nfs/dbraw/zinc/30/50/08/583305008.db2.gz PNHQDZOKQAUEJF-KKOKHZNYSA-N 2 1 237.347 0.276 20 0 BCADMP CCCC[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788011155 583349834 /nfs/dbraw/zinc/34/98/34/583349834.db2.gz DQPSRGIRAWPBEO-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000333339498 583363136 /nfs/dbraw/zinc/36/31/36/583363136.db2.gz XSYRGSXXDUDTIY-NTZNESFSSA-N 2 1 239.363 0.775 20 0 BCADMP C[NH+](C)CC1CC[NH+](CN2CCC2=O)CC1 ZINC000857232880 588897971 /nfs/dbraw/zinc/89/79/71/588897971.db2.gz PCJVTCLNMANOSY-UHFFFAOYSA-N 2 1 225.336 0.450 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668011427 583445641 /nfs/dbraw/zinc/44/56/41/583445641.db2.gz APYBLEXNEXEVNA-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000894519229 583477021 /nfs/dbraw/zinc/47/70/21/583477021.db2.gz GHJKQKKKXCKXOI-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CCC[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000894592846 583491788 /nfs/dbraw/zinc/49/17/88/583491788.db2.gz NWTJRCGNDPDKNH-UHFFFAOYSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000895681341 583708939 /nfs/dbraw/zinc/70/89/39/583708939.db2.gz QXAWJLWWGDJWLV-GHMZBOCLSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCn2cncc21 ZINC000857985225 588925955 /nfs/dbraw/zinc/92/59/55/588925955.db2.gz NJIQLXLMFPEBJU-SNVBAGLBSA-N 2 1 236.319 0.784 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000895927417 583748557 /nfs/dbraw/zinc/74/85/57/583748557.db2.gz KKSXNMMZHSVFLI-BETUJISGSA-N 2 1 224.348 0.906 20 0 BCADMP CCO[C@@H](C[NH2+]CC[C@H]1CCOC1)C[NH+](C)C ZINC000896879747 583844957 /nfs/dbraw/zinc/84/49/57/583844957.db2.gz HALXKHSPRCOLLE-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872199886 583948470 /nfs/dbraw/zinc/94/84/70/583948470.db2.gz SJJOVDPFMSLJAB-NSHDSACASA-N 2 1 241.335 0.303 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C1CC1 ZINC000864458279 584006811 /nfs/dbraw/zinc/00/68/11/584006811.db2.gz YALRSQTTWCTTEL-ONGXEEELSA-N 2 1 224.352 0.993 20 0 BCADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729687088 584023064 /nfs/dbraw/zinc/02/30/64/584023064.db2.gz QKTOXJSZLQOBTA-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP CON(C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858580034 588968839 /nfs/dbraw/zinc/96/88/39/588968839.db2.gz VVVCLZBORGFMBM-GARJFASQSA-N 2 1 243.351 0.467 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899919610 584252607 /nfs/dbraw/zinc/25/26/07/584252607.db2.gz CGDFWKGFEPVINY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000900666531 584337530 /nfs/dbraw/zinc/33/75/30/584337530.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000900666531 584337533 /nfs/dbraw/zinc/33/75/33/584337533.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000900666531 584337535 /nfs/dbraw/zinc/33/75/35/584337535.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900700892 584342546 /nfs/dbraw/zinc/34/25/46/584342546.db2.gz SJYVHSZMPJZHFJ-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000900845508 584356598 /nfs/dbraw/zinc/35/65/98/584356598.db2.gz BQOQSDIHVNWYGE-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000900845508 584356600 /nfs/dbraw/zinc/35/66/00/584356600.db2.gz BQOQSDIHVNWYGE-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP OCc1cc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000858812049 588977275 /nfs/dbraw/zinc/97/72/75/588977275.db2.gz LSGHRHSYQJJMIW-GFCCVEGCSA-N 2 1 237.303 0.052 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000901198014 584397537 /nfs/dbraw/zinc/39/75/37/584397537.db2.gz FWZVBQGUCFGULQ-SNVBAGLBSA-N 2 1 236.319 0.505 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000901306352 584419827 /nfs/dbraw/zinc/41/98/27/584419827.db2.gz JZCGHJOQKREARC-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP CC1(C)C[NH2+]C[C@H]1NC1CCC([NH3+])CC1 ZINC000902445233 584598903 /nfs/dbraw/zinc/59/89/03/584598903.db2.gz PIKNECUBWMUQTK-VQXHTEKXSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000902413508 584599384 /nfs/dbraw/zinc/59/93/84/584599384.db2.gz NFCCIPYWJKQMJF-MNOVXSKESA-N 2 1 209.337 0.694 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478479 584603214 /nfs/dbraw/zinc/60/32/14/584603214.db2.gz XHICOQLMJSCDQC-RMPHRYRLSA-N 2 1 209.337 0.419 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478480 584603244 /nfs/dbraw/zinc/60/32/44/584603244.db2.gz XHICOQLMJSCDQC-RNWYCLNJSA-N 2 1 209.337 0.419 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000902456258 584610266 /nfs/dbraw/zinc/61/02/66/584610266.db2.gz NXZGOYRNHWFAOV-ONGXEEELSA-N 2 1 238.335 0.646 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462389 584612514 /nfs/dbraw/zinc/61/25/14/584612514.db2.gz VNLUXSMFYWQZSE-KJKVDNPUSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462389 584612518 /nfs/dbraw/zinc/61/25/18/584612518.db2.gz VNLUXSMFYWQZSE-KJKVDNPUSA-N 2 1 235.375 0.857 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466792 584614097 /nfs/dbraw/zinc/61/40/97/584614097.db2.gz MQXPLNJSYQAOPR-GIFOWTIRSA-N 2 1 235.375 0.985 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471331 584616817 /nfs/dbraw/zinc/61/68/17/584616817.db2.gz NLKJPCZADBFBGI-IRCOFANPSA-N 2 1 210.321 0.894 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470821 584616891 /nfs/dbraw/zinc/61/68/91/584616891.db2.gz HGLIZGVUWGEIHH-BJKGOZRQSA-N 2 1 235.375 0.952 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503193 584620453 /nfs/dbraw/zinc/62/04/53/584620453.db2.gz HPABHAQYBQINPG-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP Nc1nc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000902503322 584620557 /nfs/dbraw/zinc/62/05/57/584620557.db2.gz WJIRNXUYMUNOCQ-VXNVDRBHSA-N 2 1 226.349 0.942 20 0 BCADMP Nc1nc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000902503319 584620712 /nfs/dbraw/zinc/62/07/12/584620712.db2.gz WJIRNXUYMUNOCQ-CBAPKCEASA-N 2 1 226.349 0.942 20 0 BCADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000902485994 584625433 /nfs/dbraw/zinc/62/54/33/584625433.db2.gz DSKWPCYBTJRRGC-CYDGBPFRSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000902486340 584625461 /nfs/dbraw/zinc/62/54/61/584625461.db2.gz FBHGAGSIFVHUSJ-SRVKXCTJSA-N 2 1 223.364 0.988 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903058179 584722375 /nfs/dbraw/zinc/72/23/75/584722375.db2.gz HHYDXLGDOIRCIW-CHWSQXEVSA-N 2 1 240.347 0.618 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000903400468 584760465 /nfs/dbraw/zinc/76/04/65/584760465.db2.gz QDTSGNDOZAERAP-AAEUAGOBSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903426077 584761002 /nfs/dbraw/zinc/76/10/02/584761002.db2.gz FKYIJWXKILMTGJ-USWWRNFRSA-N 3 1 211.353 0.831 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000903439557 584762649 /nfs/dbraw/zinc/76/26/49/584762649.db2.gz KJTTVSTVJPWHAY-WOPDTQHZSA-N 2 1 239.363 0.429 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423034 584764382 /nfs/dbraw/zinc/76/43/82/584764382.db2.gz NPSFXXQKNQSDSD-WOPDTQHZSA-N 3 1 211.353 0.383 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423034 584764384 /nfs/dbraw/zinc/76/43/84/584764384.db2.gz NPSFXXQKNQSDSD-WOPDTQHZSA-N 3 1 211.353 0.383 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458976 584765740 /nfs/dbraw/zinc/76/57/40/584765740.db2.gz OTXISZDREIDENE-WOPDTQHZSA-N 3 1 227.352 0.163 20 0 BCADMP NC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458976 584765741 /nfs/dbraw/zinc/76/57/41/584765741.db2.gz OTXISZDREIDENE-WOPDTQHZSA-N 2 1 227.352 0.163 20 0 BCADMP NC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458976 584765743 /nfs/dbraw/zinc/76/57/43/584765743.db2.gz OTXISZDREIDENE-WOPDTQHZSA-N 2 1 227.352 0.163 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000903459336 584765940 /nfs/dbraw/zinc/76/59/40/584765940.db2.gz GYLJAHHFCRUNCZ-FRRDWIJNSA-N 2 1 249.362 0.771 20 0 BCADMP C[N@@H+](Cc1nnc2n1CCC2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441852 584767630 /nfs/dbraw/zinc/76/76/30/584767630.db2.gz CHOJBIKDBNNZRB-MNOVXSKESA-N 2 1 249.362 0.784 20 0 BCADMP C[N@H+](Cc1nnc2n1CCC2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441852 584767631 /nfs/dbraw/zinc/76/76/31/584767631.db2.gz CHOJBIKDBNNZRB-MNOVXSKESA-N 2 1 249.362 0.784 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447558 584770469 /nfs/dbraw/zinc/77/04/69/584770469.db2.gz XSTLXZFVSUQKNA-GFCCVEGCSA-N 3 1 223.364 0.814 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447558 584770470 /nfs/dbraw/zinc/77/04/70/584770470.db2.gz XSTLXZFVSUQKNA-GFCCVEGCSA-N 3 1 223.364 0.814 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(OC)C2=O)CC[C@@H]1[NH3+] ZINC000903449789 584771508 /nfs/dbraw/zinc/77/15/08/584771508.db2.gz GEKTUXHDNAZZDD-OUAUKWLOSA-N 2 1 241.335 0.208 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(OC)C2=O)CC[C@@H]1[NH3+] ZINC000903449789 584771509 /nfs/dbraw/zinc/77/15/09/584771509.db2.gz GEKTUXHDNAZZDD-OUAUKWLOSA-N 2 1 241.335 0.208 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000903453819 584772665 /nfs/dbraw/zinc/77/26/65/584772665.db2.gz MTJAMZPHRVXCGR-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000903453819 584772666 /nfs/dbraw/zinc/77/26/66/584772666.db2.gz MTJAMZPHRVXCGR-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1cnccn1 ZINC000903456275 584774248 /nfs/dbraw/zinc/77/42/48/584774248.db2.gz FFCWNFSMEKRHNW-NEPJUHHUSA-N 2 1 234.347 0.806 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](n3cncn3)C2)C1 ZINC000903457434 584774514 /nfs/dbraw/zinc/77/45/14/584774514.db2.gz SLUTXOQSVRECFT-QJPTWQEYSA-N 2 1 235.335 0.652 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903477267 584777159 /nfs/dbraw/zinc/77/71/59/584777159.db2.gz WVEMAANFVZUMDP-KKOKHZNYSA-N 3 1 211.353 0.369 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903477267 584777162 /nfs/dbraw/zinc/77/71/62/584777162.db2.gz WVEMAANFVZUMDP-KKOKHZNYSA-N 3 1 211.353 0.369 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000903476463 584777600 /nfs/dbraw/zinc/77/76/00/584777600.db2.gz XREFVPAVLOKUOX-JHJVBQTASA-N 2 1 223.364 0.764 20 0 BCADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1N ZINC000903482923 584778804 /nfs/dbraw/zinc/77/88/04/584778804.db2.gz YQQHHXBSIUILIU-VPOLOUISSA-N 2 1 211.353 0.829 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494954 584781113 /nfs/dbraw/zinc/78/11/13/584781113.db2.gz SHMITKQRIDHPNB-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCC[NH2+]C)C[C@@H]21 ZINC000903564422 584782297 /nfs/dbraw/zinc/78/22/97/584782297.db2.gz TUPNWYDFOUPNAT-GRYCIOLGSA-N 2 1 240.347 0.727 20 0 BCADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCC[NH2+]C)C[C@@H]21 ZINC000903564422 584782298 /nfs/dbraw/zinc/78/22/98/584782298.db2.gz TUPNWYDFOUPNAT-GRYCIOLGSA-N 2 1 240.347 0.727 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000903556661 584782846 /nfs/dbraw/zinc/78/28/46/584782846.db2.gz DEYPZFPWJWXWFG-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000903556661 584782848 /nfs/dbraw/zinc/78/28/48/584782848.db2.gz DEYPZFPWJWXWFG-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558124 584782930 /nfs/dbraw/zinc/78/29/30/584782930.db2.gz VPHJNJHPSBBCFX-RYUDHWBXSA-N 2 1 241.379 0.376 20 0 BCADMP C[NH2+]CCN(CCc1c[nH+]cn1C)C(C)C ZINC000903574978 584783833 /nfs/dbraw/zinc/78/38/33/584783833.db2.gz AYBXQGGGQKKIKK-UHFFFAOYSA-N 2 1 224.352 0.892 20 0 BCADMP CNCC[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000903570297 584784001 /nfs/dbraw/zinc/78/40/01/584784001.db2.gz ZEWLXLSSNZKWBN-UHFFFAOYSA-N 2 1 213.369 0.916 20 0 BCADMP CNCC[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000903570297 584784002 /nfs/dbraw/zinc/78/40/02/584784002.db2.gz ZEWLXLSSNZKWBN-UHFFFAOYSA-N 2 1 213.369 0.916 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717145 584792185 /nfs/dbraw/zinc/79/21/85/584792185.db2.gz HRIVNARVWDTZTP-GFCCVEGCSA-N 3 1 241.379 0.426 20 0 BCADMP CN(CCC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717145 584792187 /nfs/dbraw/zinc/79/21/87/584792187.db2.gz HRIVNARVWDTZTP-GFCCVEGCSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732291 584792922 /nfs/dbraw/zinc/79/29/22/584792922.db2.gz FARSQWKPVZIEAJ-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732292 584793007 /nfs/dbraw/zinc/79/30/07/584793007.db2.gz FARSQWKPVZIEAJ-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903715998 584794047 /nfs/dbraw/zinc/79/40/47/584794047.db2.gz DZEYOCXUGLMDNT-JTQLQIEISA-N 2 1 226.299 0.633 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903715998 584794049 /nfs/dbraw/zinc/79/40/49/584794049.db2.gz DZEYOCXUGLMDNT-JTQLQIEISA-N 2 1 226.299 0.633 20 0 BCADMP C[N@H+](CCOC1CCSCC1)C[C@H](O)C[NH3+] ZINC000903752374 584795236 /nfs/dbraw/zinc/79/52/36/584795236.db2.gz RVYATMKKJBPPMT-SNVBAGLBSA-N 2 1 248.392 0.150 20 0 BCADMP C[N@@H+](CCOC1CCSCC1)C[C@H](O)C[NH3+] ZINC000903752374 584795237 /nfs/dbraw/zinc/79/52/37/584795237.db2.gz RVYATMKKJBPPMT-SNVBAGLBSA-N 2 1 248.392 0.150 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903753047 584796303 /nfs/dbraw/zinc/79/63/03/584796303.db2.gz ZABCUYBIUKSADP-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP NC1(C[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743352 584796680 /nfs/dbraw/zinc/79/66/80/584796680.db2.gz IXKCMRCTZKPMCE-VXGBXAGGSA-N 2 1 239.363 0.226 20 0 BCADMP [NH3+]C1(CNC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743352 584796681 /nfs/dbraw/zinc/79/66/81/584796681.db2.gz IXKCMRCTZKPMCE-VXGBXAGGSA-N 2 1 239.363 0.226 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760375 584797055 /nfs/dbraw/zinc/79/70/55/584797055.db2.gz GNDFRFKVLKKMJF-STQMWFEESA-N 3 1 241.379 0.296 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760375 584797057 /nfs/dbraw/zinc/79/70/57/584797057.db2.gz GNDFRFKVLKKMJF-STQMWFEESA-N 3 1 241.379 0.296 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903765455 584797256 /nfs/dbraw/zinc/79/72/56/584797256.db2.gz HKAFTLYXVMGMLX-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763002 584797584 /nfs/dbraw/zinc/79/75/84/584797584.db2.gz GORKFAZZJOEQJS-AGIUHOORSA-N 2 1 240.347 0.212 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903766929 584797588 /nfs/dbraw/zinc/79/75/88/584797588.db2.gz DEZJXJLAEXQWSZ-FIQHERPVSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000903769609 584797794 /nfs/dbraw/zinc/79/77/94/584797794.db2.gz KDKOHJMHBQRRRX-WDEREUQCSA-N 2 1 244.335 0.093 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785503 584800075 /nfs/dbraw/zinc/80/00/75/584800075.db2.gz ZOMZHRSFTHTGBK-AGIUHOORSA-N 2 1 240.347 0.212 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CCCC[NH2+]C1 ZINC000903786356 584800252 /nfs/dbraw/zinc/80/02/52/584800252.db2.gz HOMXLSJYDZSWQC-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+])OC ZINC000903799910 584801542 /nfs/dbraw/zinc/80/15/42/584801542.db2.gz FOSPDKIHXXGHIK-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+])OC ZINC000903799910 584801543 /nfs/dbraw/zinc/80/15/43/584801543.db2.gz FOSPDKIHXXGHIK-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806070 584802520 /nfs/dbraw/zinc/80/25/20/584802520.db2.gz UGXHVVVEHMTECA-UPJWGTAASA-N 2 1 242.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806070 584802521 /nfs/dbraw/zinc/80/25/21/584802521.db2.gz UGXHVVVEHMTECA-UPJWGTAASA-N 2 1 242.363 0.587 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805465 584802909 /nfs/dbraw/zinc/80/29/09/584802909.db2.gz OGDMLKLAINQXOA-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805465 584802910 /nfs/dbraw/zinc/80/29/10/584802910.db2.gz OGDMLKLAINQXOA-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805463 584803088 /nfs/dbraw/zinc/80/30/88/584803088.db2.gz OGDMLKLAINQXOA-SRVKXCTJSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805463 584803089 /nfs/dbraw/zinc/80/30/89/584803089.db2.gz OGDMLKLAINQXOA-SRVKXCTJSA-N 2 1 228.336 0.197 20 0 BCADMP CCOCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813359 584803191 /nfs/dbraw/zinc/80/31/91/584803191.db2.gz DFTDEAPEJDNEOY-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP CSC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810037 584803257 /nfs/dbraw/zinc/80/32/57/584803257.db2.gz SJKAFHCRHXLIIH-JTQLQIEISA-N 2 1 248.392 0.150 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810037 584803258 /nfs/dbraw/zinc/80/32/58/584803258.db2.gz SJKAFHCRHXLIIH-JTQLQIEISA-N 2 1 248.392 0.150 20 0 BCADMP COCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813988 584803634 /nfs/dbraw/zinc/80/36/34/584803634.db2.gz DSOHOCCUVUTZQR-UHFFFAOYSA-N 2 1 228.336 0.477 20 0 BCADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCO)CCC1 ZINC000903812110 584803642 /nfs/dbraw/zinc/80/36/42/584803642.db2.gz PZYPVKHGBZZBHX-LLVKDONJSA-N 2 1 212.337 0.962 20 0 BCADMP CC[N@@H+](CCC[NH2+]C)CCC(=O)NC ZINC000903826965 584805088 /nfs/dbraw/zinc/80/50/88/584805088.db2.gz PMEJOWUNWAOGMK-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000903826925 584805149 /nfs/dbraw/zinc/80/51/49/584805149.db2.gz ODMSIGRBBOTECZ-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOCC[C@H]1C ZINC000903830929 584805298 /nfs/dbraw/zinc/80/52/98/584805298.db2.gz BNMZIZGWFURZPT-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCCCNC(=O)CC1 ZINC000903829959 584805431 /nfs/dbraw/zinc/80/54/31/584805431.db2.gz PBEAHAXAHUGOBG-UHFFFAOYSA-N 2 1 227.352 0.588 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000903830161 584805753 /nfs/dbraw/zinc/80/57/53/584805753.db2.gz VIBHFQORZRJQLA-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903830191 584805840 /nfs/dbraw/zinc/80/58/40/584805840.db2.gz VWRAMKHXQJUUNR-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP COCC[C@@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903838493 584806857 /nfs/dbraw/zinc/80/68/57/584806857.db2.gz YMCWGFJTGFVEBW-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000903838493 584806858 /nfs/dbraw/zinc/80/68/58/584806858.db2.gz YMCWGFJTGFVEBW-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1F ZINC000903840193 584807209 /nfs/dbraw/zinc/80/72/09/584807209.db2.gz PETMQDWUKVESAG-VXGBXAGGSA-N 2 1 230.327 0.781 20 0 BCADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850131 584808073 /nfs/dbraw/zinc/80/80/73/584808073.db2.gz KWAJNJBSVOBTFJ-CHWSQXEVSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850131 584808074 /nfs/dbraw/zinc/80/80/74/584808074.db2.gz KWAJNJBSVOBTFJ-CHWSQXEVSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850131 584808075 /nfs/dbraw/zinc/80/80/75/584808075.db2.gz KWAJNJBSVOBTFJ-CHWSQXEVSA-N 3 1 223.364 0.799 20 0 BCADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCn1cccn1 ZINC000903855376 584808520 /nfs/dbraw/zinc/80/85/20/584808520.db2.gz MOSOISJSQAUYEQ-VXGBXAGGSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCn1cccn1 ZINC000903855376 584808521 /nfs/dbraw/zinc/80/85/21/584808521.db2.gz MOSOISJSQAUYEQ-VXGBXAGGSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCn1cccn1 ZINC000903855376 584808522 /nfs/dbraw/zinc/80/85/22/584808522.db2.gz MOSOISJSQAUYEQ-VXGBXAGGSA-N 2 1 220.320 0.696 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857855 584809785 /nfs/dbraw/zinc/80/97/85/584809785.db2.gz GAGWKRAIPIYHGS-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857855 584809787 /nfs/dbraw/zinc/80/97/87/584809787.db2.gz GAGWKRAIPIYHGS-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857857 584809861 /nfs/dbraw/zinc/80/98/61/584809861.db2.gz GAGWKRAIPIYHGS-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857857 584809862 /nfs/dbraw/zinc/80/98/62/584809862.db2.gz GAGWKRAIPIYHGS-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858873 584810967 /nfs/dbraw/zinc/81/09/67/584810967.db2.gz JROHLZUXWDTKCK-RWMBFGLXSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858873 584810969 /nfs/dbraw/zinc/81/09/69/584810969.db2.gz JROHLZUXWDTKCK-RWMBFGLXSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858873 584810971 /nfs/dbraw/zinc/81/09/71/584810971.db2.gz JROHLZUXWDTKCK-RWMBFGLXSA-N 3 1 223.364 0.799 20 0 BCADMP NC[C@@]12CC[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861219 584812557 /nfs/dbraw/zinc/81/25/57/584812557.db2.gz WFONAOPRHVIMDU-VOAKCMCISA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861219 584812558 /nfs/dbraw/zinc/81/25/58/584812558.db2.gz WFONAOPRHVIMDU-VOAKCMCISA-N 3 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861219 584812560 /nfs/dbraw/zinc/81/25/60/584812560.db2.gz WFONAOPRHVIMDU-VOAKCMCISA-N 3 1 223.364 0.927 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864094 584813068 /nfs/dbraw/zinc/81/30/68/584813068.db2.gz RCVKNLTZWKNDHU-HBNTYKKESA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864094 584813069 /nfs/dbraw/zinc/81/30/69/584813069.db2.gz RCVKNLTZWKNDHU-HBNTYKKESA-N 2 1 230.377 0.524 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903869155 584814475 /nfs/dbraw/zinc/81/44/75/584814475.db2.gz CMSDRMVCKAHDHY-XQQFMLRXSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903869155 584814477 /nfs/dbraw/zinc/81/44/77/584814477.db2.gz CMSDRMVCKAHDHY-XQQFMLRXSA-N 2 1 223.364 0.942 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903871347 584815267 /nfs/dbraw/zinc/81/52/67/584815267.db2.gz SLMYRKCYMNMOPV-ZDUSSCGKSA-N 2 1 234.347 0.791 20 0 BCADMP C[C@]12CSC[C@H]1C[N@@H+](CCOCC[NH3+])C2 ZINC000903871926 584815294 /nfs/dbraw/zinc/81/52/94/584815294.db2.gz SPAAELRYQFKOBU-MNOVXSKESA-N 2 1 230.377 0.647 20 0 BCADMP C[NH2+][C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874391 584815717 /nfs/dbraw/zinc/81/57/17/584815717.db2.gz ZOVGYLBVXGISKD-WVMKXHBISA-N 3 1 223.364 0.811 20 0 BCADMP C[NH2+][C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874391 584815719 /nfs/dbraw/zinc/81/57/19/584815719.db2.gz ZOVGYLBVXGISKD-WVMKXHBISA-N 3 1 223.364 0.811 20 0 BCADMP CCC[N@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903876991 584816650 /nfs/dbraw/zinc/81/66/50/584816650.db2.gz JRRYJAJTSXZTTK-MRVPVSSYSA-N 2 1 210.268 0.673 20 0 BCADMP CC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877513 584816812 /nfs/dbraw/zinc/81/68/12/584816812.db2.gz BFTCHYYRAMBTEG-JTQLQIEISA-N 2 1 223.324 0.654 20 0 BCADMP CC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877513 584816814 /nfs/dbraw/zinc/81/68/14/584816814.db2.gz BFTCHYYRAMBTEG-JTQLQIEISA-N 2 1 223.324 0.654 20 0 BCADMP C[C@]1(C(N)=O)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910565 584821541 /nfs/dbraw/zinc/82/15/41/584821541.db2.gz NWQFINJPISGBOC-XCBNKYQSSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910565 584821542 /nfs/dbraw/zinc/82/15/42/584821542.db2.gz NWQFINJPISGBOC-XCBNKYQSSA-N 2 1 235.278 0.166 20 0 BCADMP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)C1CCC1 ZINC000903912873 584822272 /nfs/dbraw/zinc/82/22/72/584822272.db2.gz JGPVPUHHJIKNKQ-QMMMGPOBSA-N 2 1 222.279 0.816 20 0 BCADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)C1CCC1 ZINC000903912873 584822273 /nfs/dbraw/zinc/82/22/73/584822273.db2.gz JGPVPUHHJIKNKQ-QMMMGPOBSA-N 2 1 222.279 0.816 20 0 BCADMP C(N[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918568 584822837 /nfs/dbraw/zinc/82/28/37/584822837.db2.gz BULVFLRPDOKVCO-YATPEIPISA-N 2 1 209.337 0.469 20 0 BCADMP C([NH2+][C@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920445 584823225 /nfs/dbraw/zinc/82/32/25/584823225.db2.gz VEBSMPGWJHRFHW-WVMKXHBISA-N 3 1 223.364 0.859 20 0 BCADMP [NH3+][C@@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928137 584824276 /nfs/dbraw/zinc/82/42/76/584824276.db2.gz WCLHSPWCSGLWES-HTQZYQBOSA-N 2 1 247.289 0.322 20 0 BCADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903937506 584826133 /nfs/dbraw/zinc/82/61/33/584826133.db2.gz MGMDZZFOIWASAY-WPRPVWTQSA-N 3 1 235.322 0.947 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CC(F)F)CC[C@H]21 ZINC000903937403 584826566 /nfs/dbraw/zinc/82/65/66/584826566.db2.gz KEVAYWSPTZQGPA-GMTAPVOTSA-N 2 1 247.333 0.995 20 0 BCADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903937503 584826631 /nfs/dbraw/zinc/82/66/31/584826631.db2.gz MGMDZZFOIWASAY-PSASIEDQSA-N 3 1 235.322 0.947 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]Cc1cc(N)ccn1 ZINC000903954323 584832354 /nfs/dbraw/zinc/83/23/54/584832354.db2.gz QOMGQNFKSRXHNZ-SNVBAGLBSA-N 2 1 222.336 0.984 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000903979210 584833489 /nfs/dbraw/zinc/83/34/89/584833489.db2.gz YPWFMLHQAPUHDW-UMSGYPCISA-N 3 1 225.380 0.820 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000903966722 584834517 /nfs/dbraw/zinc/83/45/17/584834517.db2.gz AIGYUHVBHPRRIR-RHYQMDGZSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000903968453 584834925 /nfs/dbraw/zinc/83/49/25/584834925.db2.gz WORPOFPUHXEVOD-GRYCIOLGSA-N 3 1 211.353 0.574 20 0 BCADMP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968468 584834971 /nfs/dbraw/zinc/83/49/71/584834971.db2.gz WQKTUUKMOMWMQY-MXWKQRLJSA-N 2 1 248.392 0.255 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000903967411 584835195 /nfs/dbraw/zinc/83/51/95/584835195.db2.gz JFPDFBQBKUQCOM-RHYQMDGZSA-N 3 1 209.337 0.041 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299896 584860870 /nfs/dbraw/zinc/86/08/70/584860870.db2.gz QWYALPGGHDZLFD-FIQHERPVSA-N 3 1 211.353 0.783 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299673 584860923 /nfs/dbraw/zinc/86/09/23/584860923.db2.gz LKDRJMCYYJFHKI-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299673 584860924 /nfs/dbraw/zinc/86/09/24/584860924.db2.gz LKDRJMCYYJFHKI-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP CC[N@@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301310 584861302 /nfs/dbraw/zinc/86/13/02/584861302.db2.gz DVYIYNZOMCJSFC-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301533 584861482 /nfs/dbraw/zinc/86/14/82/584861482.db2.gz NCNOCUAILXARII-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303789 584861913 /nfs/dbraw/zinc/86/19/13/584861913.db2.gz HKPBGRINTBFGKR-AEJSXWLSSA-N 2 1 211.309 0.064 20 0 BCADMP C[C@]1(C[N@@H+](CCO)C2CC2)CCC[NH2+]C1 ZINC000904308648 584862796 /nfs/dbraw/zinc/86/27/96/584862796.db2.gz UJVGBLGIVFISNW-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP CCCNC(=O)C[N@@H+](CCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313718 584863355 /nfs/dbraw/zinc/86/33/55/584863355.db2.gz YMVTVENPNFXSRO-TXEJJXNPSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313619 584863436 /nfs/dbraw/zinc/86/34/36/584863436.db2.gz XBLMHVKOLICOIM-BJHJDKERSA-N 2 1 247.342 0.955 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000904316921 584864109 /nfs/dbraw/zinc/86/41/09/584864109.db2.gz SCPLPNTWGBODFN-SDDRHHMPSA-N 2 1 240.347 0.809 20 0 BCADMP C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321885 584864489 /nfs/dbraw/zinc/86/44/89/584864489.db2.gz JLXMDOIDTUZECE-WISYIIOYSA-N 2 1 212.337 0.959 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)C1 ZINC000904322480 584864495 /nfs/dbraw/zinc/86/44/95/584864495.db2.gz YQIWCJCWFJTYBW-AOOOYVTPSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN(C3CC3)C(=O)C2)C1 ZINC000904322480 584864497 /nfs/dbraw/zinc/86/44/97/584864497.db2.gz YQIWCJCWFJTYBW-AOOOYVTPSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2C2CC2)C1 ZINC000904323726 584864524 /nfs/dbraw/zinc/86/45/24/584864524.db2.gz RIXWZCAPVHDTQP-ADEWGFFLSA-N 2 1 210.321 0.835 20 0 BCADMP CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326738 584865518 /nfs/dbraw/zinc/86/55/18/584865518.db2.gz RNRLJVJXMGQWBY-GARJFASQSA-N 2 1 228.336 0.996 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000904328437 584865605 /nfs/dbraw/zinc/86/56/05/584865605.db2.gz OPDJIASKRCDTBN-YVECIDJPSA-N 2 1 240.347 0.604 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330094 584866098 /nfs/dbraw/zinc/86/60/98/584866098.db2.gz ZIORQYJWJNHBFT-WYUUTHIRSA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332080 584866271 /nfs/dbraw/zinc/86/62/71/584866271.db2.gz MZVPUENPGZTWPQ-XQQFMLRXSA-N 2 1 225.380 0.996 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000904333969 584866801 /nfs/dbraw/zinc/86/68/01/584866801.db2.gz HVVMPIBQRCTHTL-SNVBAGLBSA-N 2 1 235.335 0.620 20 0 BCADMP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341185 584867080 /nfs/dbraw/zinc/86/70/80/584867080.db2.gz KBWSJOVQHUIDQM-GRYCIOLGSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904342683 584867255 /nfs/dbraw/zinc/86/72/55/584867255.db2.gz NGDNTCAFRDOVRG-STQMWFEESA-N 2 1 239.363 0.573 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904340963 584867321 /nfs/dbraw/zinc/86/73/21/584867321.db2.gz GTAULHRCDUABSQ-FKTZTGRPSA-N 2 1 212.293 0.265 20 0 BCADMP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342564 584867352 /nfs/dbraw/zinc/86/73/52/584867352.db2.gz KQWGKRAGZUFFBI-NTZNESFSSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343268 584867703 /nfs/dbraw/zinc/86/77/03/584867703.db2.gz ROFLNVTXAGKSOE-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343269 584867736 /nfs/dbraw/zinc/86/77/36/584867736.db2.gz ROFLNVTXAGKSOE-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000904345909 584868252 /nfs/dbraw/zinc/86/82/52/584868252.db2.gz LNECLYCEBPAJBO-TUAOUCFPSA-N 2 1 237.347 0.420 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345331 584868600 /nfs/dbraw/zinc/86/86/00/584868600.db2.gz GUSHIKLWRFWXSI-PHIMTYICSA-N 2 1 216.325 0.055 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350098 584868846 /nfs/dbraw/zinc/86/88/46/584868846.db2.gz HXSXBJBWRYIDKB-GRYCIOLGSA-N 3 1 211.353 0.927 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904351627 584869570 /nfs/dbraw/zinc/86/95/70/584869570.db2.gz ZVXROMFAWNNXOD-TUAOUCFPSA-N 3 1 209.337 0.409 20 0 BCADMP C[C@]1(C[NH2+]CC(=O)NCC2CC2)CCC[NH2+]C1 ZINC000904369087 584872633 /nfs/dbraw/zinc/87/26/33/584872633.db2.gz XEBRAWDPORIPGO-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368655 584872663 /nfs/dbraw/zinc/87/26/63/584872663.db2.gz LRSVQTZYQMNVRL-ZDEQEGDKSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@H](O)C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368655 584872664 /nfs/dbraw/zinc/87/26/64/584872664.db2.gz LRSVQTZYQMNVRL-ZDEQEGDKSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368655 584872665 /nfs/dbraw/zinc/87/26/65/584872665.db2.gz LRSVQTZYQMNVRL-ZDEQEGDKSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@H]1CC[N@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904371872 584873243 /nfs/dbraw/zinc/87/32/43/584873243.db2.gz VGLZQGDCXRFDRO-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904371872 584873245 /nfs/dbraw/zinc/87/32/45/584873245.db2.gz VGLZQGDCXRFDRO-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000904373138 584873879 /nfs/dbraw/zinc/87/38/79/584873879.db2.gz BLCBBZAEVYFSRY-TUAOUCFPSA-N 2 1 235.335 0.652 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CCC3(CC[NH2+]3)CC2)C1 ZINC000904373540 584873976 /nfs/dbraw/zinc/87/39/76/584873976.db2.gz SVWIDXQNRSUBAH-PHIMTYICSA-N 2 1 209.337 0.552 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N)nn1 ZINC000904374696 584874157 /nfs/dbraw/zinc/87/41/57/584874157.db2.gz UZFPIELMPVRPDE-HTQZYQBOSA-N 2 1 209.297 0.274 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000904389858 584875401 /nfs/dbraw/zinc/87/54/01/584875401.db2.gz WQCQTBAEZWOHLG-LBPRGKRZSA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000904389339 584875515 /nfs/dbraw/zinc/87/55/15/584875515.db2.gz KOXSUSLYNUWJMM-VIFPVBQESA-N 2 1 200.282 0.220 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904376360 584876400 /nfs/dbraw/zinc/87/64/00/584876400.db2.gz PPFFCWPEHCYRIV-WISYIIOYSA-N 3 1 227.352 0.019 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380131 584876480 /nfs/dbraw/zinc/87/64/80/584876480.db2.gz IQRQAANOVLTQTI-NNYUYHANSA-N 3 1 209.337 0.537 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380131 584876482 /nfs/dbraw/zinc/87/64/82/584876482.db2.gz IQRQAANOVLTQTI-NNYUYHANSA-N 2 1 209.337 0.537 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380131 584876484 /nfs/dbraw/zinc/87/64/84/584876484.db2.gz IQRQAANOVLTQTI-NNYUYHANSA-N 2 1 209.337 0.537 20 0 BCADMP C[C@@]12COC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379230 584876723 /nfs/dbraw/zinc/87/67/23/584876723.db2.gz RJFDCPHTXFWEGF-WISYIIOYSA-N 2 1 210.321 0.692 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420746 584881870 /nfs/dbraw/zinc/88/18/70/584881870.db2.gz WBAFGQXJRFLOHI-GRYCIOLGSA-N 2 1 212.337 0.810 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419600 584882071 /nfs/dbraw/zinc/88/20/71/584882071.db2.gz ZBDXYRWAOINUIV-GRYCIOLGSA-N 3 1 213.369 0.744 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419600 584882073 /nfs/dbraw/zinc/88/20/73/584882073.db2.gz ZBDXYRWAOINUIV-GRYCIOLGSA-N 3 1 213.369 0.744 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420505 584882192 /nfs/dbraw/zinc/88/21/92/584882192.db2.gz QVLCJRVHZZFPTH-YIYPIFLZSA-N 3 1 237.391 0.916 20 0 BCADMP C[NH+](C)CC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000732569238 584938733 /nfs/dbraw/zinc/93/87/33/584938733.db2.gz GWLJGAOFHCUPBM-NSHDSACASA-N 2 1 226.320 0.576 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016262 /nfs/dbraw/zinc/01/62/62/585016262.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016263 /nfs/dbraw/zinc/01/62/63/585016263.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016264 /nfs/dbraw/zinc/01/62/64/585016264.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016265 /nfs/dbraw/zinc/01/62/65/585016265.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016266 /nfs/dbraw/zinc/01/62/66/585016266.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC(=O)NCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000738876561 585053948 /nfs/dbraw/zinc/05/39/48/585053948.db2.gz KHPZZRIXGLEOJE-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP C[N@H+]1CCC[C@H]1CCNC1(C(N)=O)CCCC1 ZINC000767429131 585520186 /nfs/dbraw/zinc/52/01/86/585520186.db2.gz KTPKQHQEGDBCBW-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000767429131 585520188 /nfs/dbraw/zinc/52/01/88/585520188.db2.gz KTPKQHQEGDBCBW-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776760093 585704804 /nfs/dbraw/zinc/70/48/04/585704804.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 1 237.351 0.899 20 0 BCADMP Cc1cc(N2CCC([NH3+])(CO)CC2)nc(C)[nH+]1 ZINC000780547044 585780192 /nfs/dbraw/zinc/78/01/92/585780192.db2.gz PXLZMEICCMDSES-UHFFFAOYSA-N 2 1 236.319 0.383 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327764 585922043 /nfs/dbraw/zinc/92/20/43/585922043.db2.gz RNQPHYPHRGVPAM-VXGBXAGGSA-N 2 1 235.331 0.973 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788475715 585925119 /nfs/dbraw/zinc/92/51/19/585925119.db2.gz TVBNJRLZFQTXIM-UHFFFAOYSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140559 586069453 /nfs/dbraw/zinc/06/94/53/586069453.db2.gz OVTQZSSHOUOQMN-VXGBXAGGSA-N 2 1 235.331 0.973 20 0 BCADMP Cn1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000809946252 586524963 /nfs/dbraw/zinc/52/49/63/586524963.db2.gz AYBQBYRDANYTCM-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP Cn1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000809946252 586524965 /nfs/dbraw/zinc/52/49/65/586524965.db2.gz AYBQBYRDANYTCM-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000817914338 586831829 /nfs/dbraw/zinc/83/18/29/586831829.db2.gz VHZMJPJHHPUHOQ-WOPDTQHZSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888522 586832372 /nfs/dbraw/zinc/83/23/72/586832372.db2.gz HGLLXMXHQMHZAD-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888522 586832374 /nfs/dbraw/zinc/83/23/74/586832374.db2.gz HGLLXMXHQMHZAD-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000818586188 586903909 /nfs/dbraw/zinc/90/39/09/586903909.db2.gz TWDTXQXHIUUXRZ-JGVFFNPUSA-N 2 1 247.289 0.050 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000824681660 587282488 /nfs/dbraw/zinc/28/24/88/587282488.db2.gz OQXFROHPPVHCEY-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000827798157 587403193 /nfs/dbraw/zinc/40/31/93/587403193.db2.gz MDCMEJVZMUFION-CYBMUJFWSA-N 2 1 242.363 0.675 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C(C)C ZINC000828966015 587476359 /nfs/dbraw/zinc/47/63/59/587476359.db2.gz UQBLOQKGFSKIBD-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP C[NH2+]CC(=O)NCCn1cc[nH+]c1C(C)C ZINC000828965658 587476414 /nfs/dbraw/zinc/47/64/14/587476414.db2.gz OCRFPLVNCORMMX-UHFFFAOYSA-N 2 1 224.308 0.342 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)C[C@@H](C)[NH3+] ZINC000828965824 587476423 /nfs/dbraw/zinc/47/64/23/587476423.db2.gz QTGVISBORQANHI-SNVBAGLBSA-N 2 1 238.335 0.860 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C(C)C ZINC000828966016 587476438 /nfs/dbraw/zinc/47/64/38/587476438.db2.gz UQBLOQKGFSKIBD-SNVBAGLBSA-N 2 1 238.335 0.860 20 0 BCADMP CC[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653091 587562876 /nfs/dbraw/zinc/56/28/76/587562876.db2.gz UHZVEOMBAJXYFM-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@H](C)[NH3+] ZINC000831971259 587639789 /nfs/dbraw/zinc/63/97/89/587639789.db2.gz UPEAVNDDJBAVLO-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000831970398 587639952 /nfs/dbraw/zinc/63/99/52/587639952.db2.gz FYXCRZLRRPBKLA-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971261 587640054 /nfs/dbraw/zinc/64/00/54/587640054.db2.gz UPEAVNDDJBAVLO-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970627 587640220 /nfs/dbraw/zinc/64/02/20/587640220.db2.gz JUXRMFXUJVDMTC-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970320 587640236 /nfs/dbraw/zinc/64/02/36/587640236.db2.gz CHQHUCVAGAHJDB-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970282 587640296 /nfs/dbraw/zinc/64/02/96/587640296.db2.gz BPLTYITZRBQEEI-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971451 587640587 /nfs/dbraw/zinc/64/05/87/587640587.db2.gz XUSIHDINCLFUPS-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970426 587640609 /nfs/dbraw/zinc/64/06/09/587640609.db2.gz HCLPMCACEOCPSV-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970602 587640659 /nfs/dbraw/zinc/64/06/59/587640659.db2.gz JJTZXWCULULILF-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970628 587640721 /nfs/dbraw/zinc/64/07/21/587640721.db2.gz JWUNCSYGRLJUCV-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970840 587640741 /nfs/dbraw/zinc/64/07/41/587640741.db2.gz NBMRSLMHUYIKQN-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970842 587640763 /nfs/dbraw/zinc/64/07/63/587640763.db2.gz NBMRSLMHUYIKQN-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000832089393 587644512 /nfs/dbraw/zinc/64/45/12/587644512.db2.gz YKHCLBMXHJYXKA-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)CCCn1cc[nH+]c1C ZINC000834825850 587767845 /nfs/dbraw/zinc/76/78/45/587767845.db2.gz HNIGEHZPOMCOOK-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000841007031 587934632 /nfs/dbraw/zinc/93/46/32/587934632.db2.gz LVXHGOHZBGGRMR-JTQLQIEISA-N 2 1 214.309 0.563 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000841007031 587934633 /nfs/dbraw/zinc/93/46/33/587934633.db2.gz LVXHGOHZBGGRMR-JTQLQIEISA-N 2 1 214.309 0.563 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007553 587934905 /nfs/dbraw/zinc/93/49/05/587934905.db2.gz YWTWXHOFVCYQSZ-NEPJUHHUSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007555 587935013 /nfs/dbraw/zinc/93/50/13/587935013.db2.gz YWTWXHOFVCYQSZ-NWDGAFQWSA-N 2 1 240.347 0.823 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842667671 588050450 /nfs/dbraw/zinc/05/04/50/588050450.db2.gz BGFUCUYQTNTLED-NEPJUHHUSA-N 2 1 230.352 0.722 20 0 BCADMP Nc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000843047146 588075623 /nfs/dbraw/zinc/07/56/23/588075623.db2.gz GWAINSFXESSPIV-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000843047146 588075624 /nfs/dbraw/zinc/07/56/24/588075624.db2.gz GWAINSFXESSPIV-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(C1)OCCO2 ZINC000843071103 588079189 /nfs/dbraw/zinc/07/91/89/588079189.db2.gz YPOHUVCQANVFSE-UHFFFAOYSA-N 2 1 240.347 0.825 20 0 BCADMP CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348173 588102547 /nfs/dbraw/zinc/10/25/47/588102547.db2.gz AMFMUCNVAVRLNR-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CCCCCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348173 588102548 /nfs/dbraw/zinc/10/25/48/588102548.db2.gz AMFMUCNVAVRLNR-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000843386749 588105330 /nfs/dbraw/zinc/10/53/30/588105330.db2.gz CHYUNGLZHDUDDG-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000843807425 588142105 /nfs/dbraw/zinc/14/21/05/588142105.db2.gz ZBGOWGWDVRKJQG-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000843807425 588142106 /nfs/dbraw/zinc/14/21/06/588142106.db2.gz ZBGOWGWDVRKJQG-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000843807425 588142107 /nfs/dbraw/zinc/14/21/07/588142107.db2.gz ZBGOWGWDVRKJQG-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000843807425 588142108 /nfs/dbraw/zinc/14/21/08/588142108.db2.gz ZBGOWGWDVRKJQG-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000844171461 588171644 /nfs/dbraw/zinc/17/16/44/588171644.db2.gz IQRGKQPUGGPEPU-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000844173891 588171952 /nfs/dbraw/zinc/17/19/52/588171952.db2.gz CAIQGNFJACPEIV-SNVBAGLBSA-N 2 1 238.335 0.553 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](CC)C(C)C ZINC000844181161 588172167 /nfs/dbraw/zinc/17/21/67/588172167.db2.gz YHQCPNMTLCNXAE-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)C1([NH3+])CC1 ZINC000844175109 588172322 /nfs/dbraw/zinc/17/23/22/588172322.db2.gz ZMVWDUHCOUTHRX-UHFFFAOYSA-N 2 1 236.319 0.614 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844190510 588172755 /nfs/dbraw/zinc/17/27/55/588172755.db2.gz JFHGSKQBXWEJDG-NXEZZACHSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH3+] ZINC000846174461 588259244 /nfs/dbraw/zinc/25/92/44/588259244.db2.gz ZFGJCDHWCGONTC-NSHDSACASA-N 2 1 244.383 0.611 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846218829 588260710 /nfs/dbraw/zinc/26/07/10/588260710.db2.gz XZTCLOCMHOYVMS-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846218830 588260978 /nfs/dbraw/zinc/26/09/78/588260978.db2.gz XZTCLOCMHOYVMS-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000846855322 588293476 /nfs/dbraw/zinc/29/34/76/588293476.db2.gz UQUGDBTVNRNNLC-RYUDHWBXSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000848460381 588386153 /nfs/dbraw/zinc/38/61/53/588386153.db2.gz JWGQPBHONBOGJD-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848720951 588408490 /nfs/dbraw/zinc/40/84/90/588408490.db2.gz FNCVICHUNBXJAW-HBNTYKKESA-N 2 1 239.319 0.439 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980510 588422490 /nfs/dbraw/zinc/42/24/90/588422490.db2.gz UCAMENWVVNMILF-LLVKDONJSA-N 2 1 242.367 0.621 20 0 BCADMP CNC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000848981701 588423899 /nfs/dbraw/zinc/42/38/99/588423899.db2.gz UOKMKLHSYQOOKS-LBPRGKRZSA-N 2 1 234.347 0.903 20 0 BCADMP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000848986949 588425689 /nfs/dbraw/zinc/42/56/89/588425689.db2.gz BPSRWALHOWPIGC-UWVGGRQHSA-N 2 1 212.341 0.851 20 0 BCADMP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848986997 588425935 /nfs/dbraw/zinc/42/59/35/588425935.db2.gz DKZZIGSXPUYKTD-UWVGGRQHSA-N 2 1 212.341 0.993 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000848987542 588426489 /nfs/dbraw/zinc/42/64/89/588426489.db2.gz DYNVGVZDXVHLJK-UHFFFAOYSA-N 2 1 242.367 0.573 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000848996212 588429208 /nfs/dbraw/zinc/42/92/08/588429208.db2.gz LSXVPWXYXLNGNC-JTQLQIEISA-N 2 1 212.341 0.803 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)C1CC1 ZINC000848997438 588429520 /nfs/dbraw/zinc/42/95/20/588429520.db2.gz IFQCZJMWZXOZHX-NSHDSACASA-N 2 1 240.351 0.374 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)C1CC1 ZINC000848997438 588429522 /nfs/dbraw/zinc/42/95/22/588429522.db2.gz IFQCZJMWZXOZHX-NSHDSACASA-N 2 1 240.351 0.374 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCCCC1)[NH+](C)C ZINC000848996769 588429566 /nfs/dbraw/zinc/42/95/66/588429566.db2.gz YPYPQQVKDFVRBK-SNVBAGLBSA-N 2 1 212.341 0.947 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])NC1CCC1 ZINC000848999859 588430395 /nfs/dbraw/zinc/43/03/95/588430395.db2.gz CAGKTEYYQBGKLQ-UHFFFAOYSA-N 2 1 221.308 0.858 20 0 BCADMP CC[N@H+](CCNC(=[NH2+])N1CCC1)C1CC1 ZINC000849001065 588430773 /nfs/dbraw/zinc/43/07/73/588430773.db2.gz YLZARNTYLABZCY-UHFFFAOYSA-N 2 1 210.325 0.701 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N1CCC1)C1CC1 ZINC000849001065 588430774 /nfs/dbraw/zinc/43/07/74/588430774.db2.gz YLZARNTYLABZCY-UHFFFAOYSA-N 2 1 210.325 0.701 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004613 588431844 /nfs/dbraw/zinc/43/18/44/588431844.db2.gz RMNZVZDTAHDZFD-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000849004677 588432312 /nfs/dbraw/zinc/43/23/12/588432312.db2.gz VMVQOCHRUMHMNF-SNVBAGLBSA-N 2 1 210.325 0.558 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCC1)C[NH+]1CCOCC1 ZINC000849005436 588432781 /nfs/dbraw/zinc/43/27/81/588432781.db2.gz DYBZWXMHFKHIBN-LLVKDONJSA-N 2 1 240.351 0.185 20 0 BCADMP Cc1[nH+]ccn1-c1ccc(CNC(N)=[NH2+])cn1 ZINC000849012509 588435549 /nfs/dbraw/zinc/43/55/49/588435549.db2.gz MMPZIZRGJLFVSK-UHFFFAOYSA-N 2 1 230.275 0.559 20 0 BCADMP C[C@H]1C[NH+]=C(N[C@H]2CCn3cc[nH+]c3C2)N1 ZINC000849020470 588438516 /nfs/dbraw/zinc/43/85/16/588438516.db2.gz SLBDIRQORWISQH-IUCAKERBSA-N 2 1 219.292 0.135 20 0 BCADMP C[C@@H]1C[NH+]=C(N[C@@H]2CCn3cc[nH+]c3C2)N1 ZINC000849020471 588438534 /nfs/dbraw/zinc/43/85/34/588438534.db2.gz SLBDIRQORWISQH-RKDXNWHRSA-N 2 1 219.292 0.135 20 0 BCADMP CC[C@@H](CO)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849020703 588438884 /nfs/dbraw/zinc/43/88/84/588438884.db2.gz YAKJIKXLXOKKQW-QWRGUYRKSA-N 2 1 242.367 0.356 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000849024788 588439986 /nfs/dbraw/zinc/43/99/86/588439986.db2.gz XURYGBRNAXLSGL-UHFFFAOYSA-N 2 1 226.324 0.009 20 0 BCADMP COCCNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000849024788 588439987 /nfs/dbraw/zinc/43/99/87/588439987.db2.gz XURYGBRNAXLSGL-UHFFFAOYSA-N 2 1 226.324 0.009 20 0 BCADMP CCNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849026759 588441123 /nfs/dbraw/zinc/44/11/23/588441123.db2.gz SGXWMRXUPYIEEP-UHFFFAOYSA-N 2 1 241.383 0.146 20 0 BCADMP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CC1 ZINC000849033915 588443777 /nfs/dbraw/zinc/44/37/77/588443777.db2.gz DYRDWVHCATYCFT-LLVKDONJSA-N 2 1 240.351 0.110 20 0 BCADMP CN(C)C(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039356 588446914 /nfs/dbraw/zinc/44/69/14/588446914.db2.gz UCTBNTRTRRACLK-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000849043896 588449210 /nfs/dbraw/zinc/44/92/10/588449210.db2.gz YLBAZCNVJLIGOD-SNVBAGLBSA-N 2 1 240.351 0.374 20 0 BCADMP C[C@@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CC2)CCO1 ZINC000849043877 588449294 /nfs/dbraw/zinc/44/92/94/588449294.db2.gz XFFPZVLIGQDYNV-SNVBAGLBSA-N 2 1 240.351 0.326 20 0 BCADMP C[N@H+]1C[C@@H](CNC(N)=[NH2+])[C@H](c2ccccc2)C1 ZINC000849046238 588449926 /nfs/dbraw/zinc/44/99/26/588449926.db2.gz OUJPEPLLSDVDLC-NEPJUHHUSA-N 2 1 232.331 0.815 20 0 BCADMP C[NH+](C)CCn1cc(C[NH+]2CCCCC2)nn1 ZINC000849138048 588454168 /nfs/dbraw/zinc/45/41/68/588454168.db2.gz XJOQLTYBWHCNIJ-UHFFFAOYSA-N 2 1 237.351 0.826 20 0 BCADMP COC(=O)N(C)CC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000849352275 588474662 /nfs/dbraw/zinc/47/46/62/588474662.db2.gz KAIUJUUDFXNUOW-LBPRGKRZSA-N 2 1 243.351 0.616 20 0 BCADMP COC(=O)N(C)CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000849352275 588474663 /nfs/dbraw/zinc/47/46/63/588474663.db2.gz KAIUJUUDFXNUOW-LBPRGKRZSA-N 2 1 243.351 0.616 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)OC)[C@H](C)C1 ZINC000850480357 588550987 /nfs/dbraw/zinc/55/09/87/588550987.db2.gz QGXLQAALRPQFES-NEPJUHHUSA-N 2 1 229.368 0.800 20 0 BCADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000851732270 588619410 /nfs/dbraw/zinc/61/94/10/588619410.db2.gz NFNFBJBVVWKHOP-WRWGMCAJSA-N 2 1 210.321 0.705 20 0 BCADMP CC1(C)OC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732878 588619952 /nfs/dbraw/zinc/61/99/52/588619952.db2.gz ZHAJNHFCADTLPM-OUAUKWLOSA-N 2 1 226.320 0.289 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743537 588698687 /nfs/dbraw/zinc/69/86/87/588698687.db2.gz DYJWCSKOXSNWJX-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CNCCO1 ZINC000852746409 588699138 /nfs/dbraw/zinc/69/91/38/588699138.db2.gz KYDFVSGESVQIGX-PSEXLTFBSA-N 2 1 239.363 0.319 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CNCCO1 ZINC000852746409 588699139 /nfs/dbraw/zinc/69/91/39/588699139.db2.gz KYDFVSGESVQIGX-PSEXLTFBSA-N 2 1 239.363 0.319 20 0 BCADMP FC(F)OCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000852750358 588699916 /nfs/dbraw/zinc/69/99/16/588699916.db2.gz RMJDFJLNFSRBJD-SNVBAGLBSA-N 2 1 249.305 0.205 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)N1 ZINC000852754158 588700719 /nfs/dbraw/zinc/70/07/19/588700719.db2.gz QPXZZFBGAKFPOF-JTQLQIEISA-N 2 1 235.331 0.466 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864268 588709344 /nfs/dbraw/zinc/70/93/44/588709344.db2.gz QROOERNIMHCFPU-JQWIXIFHSA-N 2 1 243.326 0.289 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000852881624 588710922 /nfs/dbraw/zinc/71/09/22/588710922.db2.gz YSLUPUFGRXUHGI-JGVFFNPUSA-N 2 1 235.278 0.050 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861568717 589168640 /nfs/dbraw/zinc/16/86/40/589168640.db2.gz GMNZRFPHHFUCBC-VIFPVBQESA-N 2 1 239.323 0.180 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000863542351 589297205 /nfs/dbraw/zinc/29/72/05/589297205.db2.gz QCGOJDWLQCEWBC-DLOVCJGASA-N 2 1 238.331 0.978 20 0 BCADMP CCN(CC[NH3+])Cc1ncc(C[NH+](C)C)s1 ZINC000863644003 589307069 /nfs/dbraw/zinc/30/70/69/589307069.db2.gz GHOJDQXUOVIYGL-UHFFFAOYSA-N 2 1 242.392 0.985 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000864055868 589336549 /nfs/dbraw/zinc/33/65/49/589336549.db2.gz ZPLVZNQSPSSMID-RKDXNWHRSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000864055868 589336551 /nfs/dbraw/zinc/33/65/51/589336551.db2.gz ZPLVZNQSPSSMID-RKDXNWHRSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000864462280 589369474 /nfs/dbraw/zinc/36/94/74/589369474.db2.gz LBMPQLMIDSSURE-KOLCDFICSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000864468151 589371940 /nfs/dbraw/zinc/37/19/40/589371940.db2.gz BNJZYZGNRHKKEL-BDAKNGLRSA-N 2 1 210.325 0.603 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594754 589440632 /nfs/dbraw/zinc/44/06/32/589440632.db2.gz VBPBPVGRASWCHZ-VXGBXAGGSA-N 2 1 240.347 0.823 20 0 BCADMP [NH3+]CC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866683238 589511303 /nfs/dbraw/zinc/51/13/03/589511303.db2.gz BPYRTWNBUXCXCC-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP [NH3+]CC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866683238 589511304 /nfs/dbraw/zinc/51/13/04/589511304.db2.gz BPYRTWNBUXCXCC-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709391 589514128 /nfs/dbraw/zinc/51/41/28/589514128.db2.gz XEBJTYGBDYMSCV-CABZTGNLSA-N 2 1 227.352 0.557 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705962 589514296 /nfs/dbraw/zinc/51/42/96/589514296.db2.gz DCJLRJITVTYOOR-MFKMUULPSA-N 2 1 241.379 0.947 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705963 589514598 /nfs/dbraw/zinc/51/45/98/589514598.db2.gz DCJLRJITVTYOOR-ZWNOBZJWSA-N 2 1 241.379 0.947 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704806 589514837 /nfs/dbraw/zinc/51/48/37/589514837.db2.gz YDTKBFBPPVYHSB-ZYHUDNBSSA-N 2 1 230.352 0.050 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[NH2+]CC1CC1 ZINC000870940554 589699789 /nfs/dbraw/zinc/69/97/89/589699789.db2.gz KPMZFLMPALOWKH-UHFFFAOYSA-N 2 1 235.278 0.086 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965719 589702253 /nfs/dbraw/zinc/70/22/53/589702253.db2.gz NHWKMQDSTVZLJS-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971318 589703356 /nfs/dbraw/zinc/70/33/56/589703356.db2.gz ZHNISZDMLMQSDC-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]21 ZINC000870980763 589704396 /nfs/dbraw/zinc/70/43/96/589704396.db2.gz BPBOLITWLAFOQZ-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980846 589704435 /nfs/dbraw/zinc/70/44/35/589704435.db2.gz CZYYWVFPBZAHOE-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980852 589704822 /nfs/dbraw/zinc/70/48/22/589704822.db2.gz CZYYWVFPBZAHOE-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980757 589704852 /nfs/dbraw/zinc/70/48/52/589704852.db2.gz BOIJITJJODSUFE-BJDJZHNGSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000870982763 589705326 /nfs/dbraw/zinc/70/53/26/589705326.db2.gz PEGXUAWKFUXPFX-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000871604102 589773877 /nfs/dbraw/zinc/77/38/77/589773877.db2.gz SXVJEDFIAGBXLR-UHFFFAOYSA-N 2 1 230.356 0.429 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)CCOC)C1 ZINC000871604148 589773942 /nfs/dbraw/zinc/77/39/42/589773942.db2.gz VWFKVNDUWDVPCY-NSHDSACASA-N 2 1 242.367 0.431 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@@H+]1C ZINC000872140990 589878211 /nfs/dbraw/zinc/87/82/11/589878211.db2.gz HEHSZGVQWXEMCX-NNYUYHANSA-N 2 1 228.336 0.209 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@H+]1C ZINC000872140990 589878212 /nfs/dbraw/zinc/87/82/12/589878212.db2.gz HEHSZGVQWXEMCX-NNYUYHANSA-N 2 1 228.336 0.209 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872143560 589883443 /nfs/dbraw/zinc/88/34/43/589883443.db2.gz SREYIFYZPNHEML-MNOVXSKESA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872143560 589883446 /nfs/dbraw/zinc/88/34/46/589883446.db2.gz SREYIFYZPNHEML-MNOVXSKESA-N 2 1 228.336 0.197 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000124301207 589974056 /nfs/dbraw/zinc/97/40/56/589974056.db2.gz FTCNGBDPNBNHGB-NSHDSACASA-N 2 1 228.336 0.633 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873200764 589993222 /nfs/dbraw/zinc/99/32/22/589993222.db2.gz FRNBWYQPJTXIAV-VHSXEESVSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873200764 589993223 /nfs/dbraw/zinc/99/32/23/589993223.db2.gz FRNBWYQPJTXIAV-VHSXEESVSA-N 2 1 235.335 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000873210205 589994966 /nfs/dbraw/zinc/99/49/66/589994966.db2.gz YUDRDMJKHCZIPW-JTQLQIEISA-N 2 1 235.335 0.620 20 0 BCADMP Nc1cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000873211097 589996642 /nfs/dbraw/zinc/99/66/42/589996642.db2.gz VCXHPSUWMUHJDD-NSHDSACASA-N 2 1 235.335 0.762 20 0 BCADMP Nc1cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000873211097 589996643 /nfs/dbraw/zinc/99/66/43/589996643.db2.gz VCXHPSUWMUHJDD-NSHDSACASA-N 2 1 235.335 0.762 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N)cn1 ZINC000873213144 589996769 /nfs/dbraw/zinc/99/67/69/589996769.db2.gz XYYDADPYGOERGP-SNVBAGLBSA-N 2 1 223.324 0.522 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843087 589997725 /nfs/dbraw/zinc/99/77/25/589997725.db2.gz ZLTDINQZAPIVRO-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843087 589997729 /nfs/dbraw/zinc/99/77/29/589997729.db2.gz ZLTDINQZAPIVRO-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221023 589999794 /nfs/dbraw/zinc/99/97/94/589999794.db2.gz XEWXGMHXMPNWDI-WZRBSPASSA-N 3 1 225.380 0.962 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229316 590000819 /nfs/dbraw/zinc/00/08/19/590000819.db2.gz RSXVMOKTQBGVES-FRRDWIJNSA-N 3 1 225.380 0.759 20 0 BCADMP CC(C)[C@H](C[NH3+])CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229316 590000822 /nfs/dbraw/zinc/00/08/22/590000822.db2.gz RSXVMOKTQBGVES-FRRDWIJNSA-N 2 1 225.380 0.759 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228995 590001183 /nfs/dbraw/zinc/00/11/83/590001183.db2.gz NAIURGVKBYRUCZ-RFQIPJPRSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000873255042 590010080 /nfs/dbraw/zinc/01/00/80/590010080.db2.gz DOJLAMDPNRNJCK-KKOKHZNYSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270386 590016103 /nfs/dbraw/zinc/01/61/03/590016103.db2.gz RVEKBRDWAVUCFY-WZRBSPASSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c[nH+]ccc1N ZINC000873296541 590025049 /nfs/dbraw/zinc/02/50/49/590025049.db2.gz HZECXVJBJATMED-OPRDCNLKSA-N 2 1 221.304 0.916 20 0 BCADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000874325803 590103495 /nfs/dbraw/zinc/10/34/95/590103495.db2.gz DGPKRDCABDUINB-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874390124 590107797 /nfs/dbraw/zinc/10/77/97/590107797.db2.gz ZSWGKPCQUUBOHZ-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000874470243 590114320 /nfs/dbraw/zinc/11/43/20/590114320.db2.gz HIZDCXVHIXJZQN-LLVKDONJSA-N 2 1 229.368 0.783 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874837708 590143678 /nfs/dbraw/zinc/14/36/78/590143678.db2.gz JDIDRCODEYBRIK-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874837708 590143680 /nfs/dbraw/zinc/14/36/80/590143680.db2.gz JDIDRCODEYBRIK-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876512868 590205970 /nfs/dbraw/zinc/20/59/70/590205970.db2.gz AVWKWCINVGCLQL-NSHDSACASA-N 2 1 236.319 0.389 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876706811 590232100 /nfs/dbraw/zinc/23/21/00/590232100.db2.gz HNLFEHCYNAYRRF-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876732663 590234578 /nfs/dbraw/zinc/23/45/78/590234578.db2.gz CGNIGQKYXLSANW-AXFHLTTASA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732664 590234679 /nfs/dbraw/zinc/23/46/79/590234679.db2.gz CGNIGQKYXLSANW-GMTAPVOTSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876750524 590238233 /nfs/dbraw/zinc/23/82/33/590238233.db2.gz WFQUVVRKDIKVHO-QWRGUYRKSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[NH+](C)C ZINC000876851212 590249626 /nfs/dbraw/zinc/24/96/26/590249626.db2.gz FDTNJWCSNIVKTD-DTWKUNHWSA-N 2 1 249.305 0.392 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103089 590283825 /nfs/dbraw/zinc/28/38/25/590283825.db2.gz QCEJSMGHHPQFCL-JTQLQIEISA-N 2 1 238.335 0.777 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000877107444 590285849 /nfs/dbraw/zinc/28/58/49/590285849.db2.gz FRQJZJXFHURNDF-JTQLQIEISA-N 2 1 229.368 0.770 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000877108741 590286529 /nfs/dbraw/zinc/28/65/29/590286529.db2.gz WGPSVCHVPPFBJD-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188441 590298921 /nfs/dbraw/zinc/29/89/21/590298921.db2.gz CILFLEJGNNXKBH-UHFFFAOYSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243137 590302575 /nfs/dbraw/zinc/30/25/75/590302575.db2.gz GLQASTHHQLWAQM-CDECOKDKSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877244751 590303283 /nfs/dbraw/zinc/30/32/83/590303283.db2.gz NCRLQXRAPDSMAT-DCAQKATOSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000877250323 590304007 /nfs/dbraw/zinc/30/40/07/590304007.db2.gz PEGXUAWKFUXPFX-QJPTWQEYSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285034 590306597 /nfs/dbraw/zinc/30/65/97/590306597.db2.gz XSLFGAMKMGGBAM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450962 590328560 /nfs/dbraw/zinc/32/85/60/590328560.db2.gz IVCFKYXEWYGITQ-BNDIWNMDSA-N 2 1 249.358 0.432 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450963 590328918 /nfs/dbraw/zinc/32/89/18/590328918.db2.gz IVCFKYXEWYGITQ-LBELIVKGSA-N 2 1 249.358 0.432 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807286 /nfs/dbraw/zinc/80/72/86/590807286.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573657 590808660 /nfs/dbraw/zinc/80/86/60/590808660.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573657 590808662 /nfs/dbraw/zinc/80/86/62/590808662.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573657 590808664 /nfs/dbraw/zinc/80/86/64/590808664.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570775 590809393 /nfs/dbraw/zinc/80/93/93/590809393.db2.gz IQOCVQNASADJHC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570775 590809398 /nfs/dbraw/zinc/80/93/98/590809398.db2.gz IQOCVQNASADJHC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570775 590809402 /nfs/dbraw/zinc/80/94/02/590809402.db2.gz IQOCVQNASADJHC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570775 590809408 /nfs/dbraw/zinc/80/94/08/590809408.db2.gz IQOCVQNASADJHC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570784 590810439 /nfs/dbraw/zinc/81/04/39/590810439.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570784 590810443 /nfs/dbraw/zinc/81/04/43/590810443.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570784 590810447 /nfs/dbraw/zinc/81/04/47/590810447.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570784 590810450 /nfs/dbraw/zinc/81/04/50/590810450.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 2 1 239.363 0.539 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579639 590817545 /nfs/dbraw/zinc/81/75/45/590817545.db2.gz AOFAHUSFNQOKLY-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579639 590817549 /nfs/dbraw/zinc/81/75/49/590817549.db2.gz AOFAHUSFNQOKLY-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579639 590817553 /nfs/dbraw/zinc/81/75/53/590817553.db2.gz AOFAHUSFNQOKLY-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579639 590817554 /nfs/dbraw/zinc/81/75/54/590817554.db2.gz AOFAHUSFNQOKLY-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579640 590818389 /nfs/dbraw/zinc/81/83/89/590818389.db2.gz AOFAHUSFNQOKLY-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579640 590818393 /nfs/dbraw/zinc/81/83/93/590818393.db2.gz AOFAHUSFNQOKLY-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579640 590818397 /nfs/dbraw/zinc/81/83/97/590818397.db2.gz AOFAHUSFNQOKLY-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579640 590818399 /nfs/dbraw/zinc/81/83/99/590818399.db2.gz AOFAHUSFNQOKLY-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581341 590822403 /nfs/dbraw/zinc/82/24/03/590822403.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879581341 590822405 /nfs/dbraw/zinc/82/24/05/590822405.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879581341 590822407 /nfs/dbraw/zinc/82/24/07/590822407.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 2 1 242.363 0.674 20 0 BCADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH]cn1 ZINC000880071599 590917115 /nfs/dbraw/zinc/91/71/15/590917115.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 1 236.319 0.051 20 0 BCADMP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc[nH]1 ZINC000880071599 590917119 /nfs/dbraw/zinc/91/71/19/590917119.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 1 236.319 0.051 20 0 BCADMP OC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnc[nH]1 ZINC000880071599 590917123 /nfs/dbraw/zinc/91/71/23/590917123.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 1 236.319 0.051 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880441531 591043970 /nfs/dbraw/zinc/04/39/70/591043970.db2.gz YWDKLOMZBPKXRM-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880441531 591043973 /nfs/dbraw/zinc/04/39/73/591043973.db2.gz YWDKLOMZBPKXRM-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880488292 591062616 /nfs/dbraw/zinc/06/26/16/591062616.db2.gz BPQMXVCWAPLHIV-LLVKDONJSA-N 2 1 207.277 0.424 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CC=C[C@@H]1CO ZINC000880488292 591062621 /nfs/dbraw/zinc/06/26/21/591062621.db2.gz BPQMXVCWAPLHIV-LLVKDONJSA-N 2 1 207.277 0.424 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000882486282 591359219 /nfs/dbraw/zinc/35/92/19/591359219.db2.gz PCROKQZMKMVLCI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000882486282 591359223 /nfs/dbraw/zinc/35/92/23/591359223.db2.gz PCROKQZMKMVLCI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000882486282 591359227 /nfs/dbraw/zinc/35/92/27/591359227.db2.gz PCROKQZMKMVLCI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@@H]1CCC[N@H+]1C ZINC000883433946 591664069 /nfs/dbraw/zinc/66/40/69/591664069.db2.gz CGSFTRNAZUFHEB-SRVKXCTJSA-N 2 1 229.343 0.712 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CF)C1 ZINC000883447534 591671034 /nfs/dbraw/zinc/67/10/34/591671034.db2.gz DZHBCSYFOHKUCR-UWVGGRQHSA-N 2 1 204.289 0.248 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873024 591744828 /nfs/dbraw/zinc/74/48/28/591744828.db2.gz CRUZKQQMAWLECE-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132968442 591751372 /nfs/dbraw/zinc/75/13/72/591751372.db2.gz SIHOOBDCXLALAL-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)c1ncoc1C[NH3+] ZINC000884026024 591806791 /nfs/dbraw/zinc/80/67/91/591806791.db2.gz QIDMWGGNXLGALU-UHFFFAOYSA-N 2 1 240.307 0.251 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358762 591912420 /nfs/dbraw/zinc/91/24/20/591912420.db2.gz XOLXHRSONUOCBH-VHSXEESVSA-N 2 1 227.352 0.569 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364110 591916810 /nfs/dbraw/zinc/91/68/10/591916810.db2.gz NLFGDYJWWBROPC-UWVGGRQHSA-N 2 1 236.319 0.434 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884366296 591917330 /nfs/dbraw/zinc/91/73/30/591917330.db2.gz XKAUOKFFPXJGJS-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP Cc1cc(NCC[N@@H+](C)CCO)nc(C)n1 ZINC000884824126 592018405 /nfs/dbraw/zinc/01/84/05/592018405.db2.gz RTPJWFZTPCLTPZ-UHFFFAOYSA-N 2 1 224.308 0.429 20 0 BCADMP Cc1cc(NCC[N@@H+](C)CCO)nc(C)[nH+]1 ZINC000884824126 592018410 /nfs/dbraw/zinc/01/84/10/592018410.db2.gz RTPJWFZTPCLTPZ-UHFFFAOYSA-N 2 1 224.308 0.429 20 0 BCADMP C[N@@H+](CCO)CCNc1cc[nH+]cc1C1CC1 ZINC000884826334 592023551 /nfs/dbraw/zinc/02/35/51/592023551.db2.gz ZKSQOKRCCMUVIY-UHFFFAOYSA-N 2 1 235.331 0.717 20 0 BCADMP CCc1cc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884825210 592024060 /nfs/dbraw/zinc/02/40/60/592024060.db2.gz LHVRWVBYYVHIQC-UHFFFAOYSA-N 2 1 223.320 0.402 20 0 BCADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000137383711 592176120 /nfs/dbraw/zinc/17/61/20/592176120.db2.gz SZDVZKMMXRMNKV-ZYHUDNBSSA-N 2 1 237.347 0.467 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251377 592186640 /nfs/dbraw/zinc/18/66/40/592186640.db2.gz BKHXVXANWCMNKY-WISYIIOYSA-N 2 1 242.363 0.333 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000219219776 592217048 /nfs/dbraw/zinc/21/70/48/592217048.db2.gz VFROTUHWMPVAFK-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886826981 592348205 /nfs/dbraw/zinc/34/82/05/592348205.db2.gz BBOOSSBZJZEEJZ-SRVKXCTJSA-N 2 1 210.321 0.694 20 0 BCADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838412 592358578 /nfs/dbraw/zinc/35/85/78/592358578.db2.gz XBFJAIXCPDUXNU-XQHKEYJVSA-N 2 1 222.332 0.564 20 0 BCADMP CCN(CCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000886846478 592362978 /nfs/dbraw/zinc/36/29/78/592362978.db2.gz BGAYEUXVLNFUJO-LBPRGKRZSA-N 2 1 222.336 0.646 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@]12CCOC2 ZINC000886841643 592363406 /nfs/dbraw/zinc/36/34/06/592363406.db2.gz RINCTWYZKIOFHE-NWDGAFQWSA-N 2 1 228.336 0.320 20 0 BCADMP CCN(CC[N@@H+]1CCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000886848505 592365389 /nfs/dbraw/zinc/36/53/89/592365389.db2.gz FTNOOXGLWMMEQM-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP CCN(CC[N@H+]1CCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000886848505 592365393 /nfs/dbraw/zinc/36/53/93/592365393.db2.gz FTNOOXGLWMMEQM-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP c1nnn2c1C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC000886858048 592370671 /nfs/dbraw/zinc/37/06/71/592370671.db2.gz KKHGXCOSUNNWSQ-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874566 592375841 /nfs/dbraw/zinc/37/58/41/592375841.db2.gz QLHJLCKPURHJCM-ZYHUDNBSSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874566 592375846 /nfs/dbraw/zinc/37/58/46/592375846.db2.gz QLHJLCKPURHJCM-ZYHUDNBSSA-N 2 1 225.336 0.326 20 0 BCADMP [NH2+]=C(NCC1CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000887349816 592485400 /nfs/dbraw/zinc/48/54/00/592485400.db2.gz KIMLIYDXXQNESY-LLVKDONJSA-N 2 1 236.363 0.995 20 0 BCADMP [NH2+]=C(NCC(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000887349984 592485864 /nfs/dbraw/zinc/48/58/64/592485864.db2.gz PVKBBXHNODBVGF-MRVPVSSYSA-N 2 1 246.305 0.850 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352932 592486498 /nfs/dbraw/zinc/48/64/98/592486498.db2.gz VBHUJMRPRDTIQL-UHFFFAOYSA-N 2 1 212.341 0.851 20 0 BCADMP [NH2+]=C(NCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000887358261 592489429 /nfs/dbraw/zinc/48/94/29/592489429.db2.gz YSNHYBMZWSCZCW-SNVBAGLBSA-N 2 1 233.319 0.722 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887361606 592490788 /nfs/dbraw/zinc/49/07/88/592490788.db2.gz BXRDQJXXWCVWLX-UHFFFAOYSA-N 2 1 210.325 0.605 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223310247 592527267 /nfs/dbraw/zinc/52/72/67/592527267.db2.gz TWRJGHHRVKSJLW-WOPDTQHZSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223310247 592527268 /nfs/dbraw/zinc/52/72/68/592527268.db2.gz TWRJGHHRVKSJLW-WOPDTQHZSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000302638476 592550084 /nfs/dbraw/zinc/55/00/84/592550084.db2.gz FLNVOMMOJCAIAP-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703040 634379063 /nfs/dbraw/zinc/37/90/63/634379063.db2.gz SDHNZVGUKXKRAB-MNOVXSKESA-N 3 1 211.353 0.846 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000925706905 634393966 /nfs/dbraw/zinc/39/39/66/634393966.db2.gz OWYSHNIRKHYNGH-MNOVXSKESA-N 2 1 237.351 0.478 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925710635 634407836 /nfs/dbraw/zinc/40/78/36/634407836.db2.gz QIRYZHXNSYZHCR-MXWKQRLJSA-N 2 1 211.353 0.973 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925721277 634460962 /nfs/dbraw/zinc/46/09/62/634460962.db2.gz BRKFZNFMTSWYPG-ZMLRMANQSA-N 2 1 238.331 0.978 20 0 BCADMP CC[C@@H](C)[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228416 635431766 /nfs/dbraw/zinc/43/17/66/635431766.db2.gz YQRNLAGXADEYMW-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228416 635431779 /nfs/dbraw/zinc/43/17/79/635431779.db2.gz YQRNLAGXADEYMW-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925841229 635506724 /nfs/dbraw/zinc/50/67/24/635506724.db2.gz ZQFKKKJSTQAAJO-DCAQKATOSA-N 2 1 225.336 0.243 20 0 BCADMP CCCS(=O)(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000233262863 635529444 /nfs/dbraw/zinc/52/94/44/635529444.db2.gz NYHBSZSGGWWRQX-NSHDSACASA-N 2 1 248.392 0.482 20 0 BCADMP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858790 635551788 /nfs/dbraw/zinc/55/17/88/635551788.db2.gz CXAKGCZNEKNUJC-JHJVBQTASA-N 2 1 239.363 0.648 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@H]1CCC[NH2+]1 ZINC000925890708 635616105 /nfs/dbraw/zinc/61/61/05/635616105.db2.gz QPJFPSCMONPOJP-OUAUKWLOSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@H]1CCC[NH2+]1 ZINC000925890704 635616644 /nfs/dbraw/zinc/61/66/44/635616644.db2.gz QPJFPSCMONPOJP-HBNTYKKESA-N 2 1 249.362 0.403 20 0 BCADMP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925876098 635600137 /nfs/dbraw/zinc/60/01/37/635600137.db2.gz XGTVINFNRHRBNJ-TUAOUCFPSA-N 2 1 228.336 0.522 20 0 BCADMP C[C@H]([NH2+]CCOC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000925877609 635601047 /nfs/dbraw/zinc/60/10/47/635601047.db2.gz KIPBNLKTOOGRBF-WCQYABFASA-N 2 1 242.363 0.912 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104068 631351771 /nfs/dbraw/zinc/35/17/71/631351771.db2.gz SPAVCXVJVZTJBZ-WISYIIOYSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000258211591 631405048 /nfs/dbraw/zinc/40/50/48/631405048.db2.gz ZUUPRUATVJARRN-SSDOTTSWSA-N 2 1 210.281 0.631 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926206481 631429634 /nfs/dbraw/zinc/42/96/34/631429634.db2.gz KHQOEOOFMCXEDW-JTQLQIEISA-N 2 1 236.319 0.077 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000308574668 631433706 /nfs/dbraw/zinc/43/37/06/631433706.db2.gz DAHKIYFOZSRIOJ-UWVGGRQHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736564 631498857 /nfs/dbraw/zinc/49/88/57/631498857.db2.gz WPKRZSUYTYKTIX-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736564 631498860 /nfs/dbraw/zinc/49/88/60/631498860.db2.gz WPKRZSUYTYKTIX-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736564 631498867 /nfs/dbraw/zinc/49/88/67/631498867.db2.gz WPKRZSUYTYKTIX-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736564 631498876 /nfs/dbraw/zinc/49/88/76/631498876.db2.gz WPKRZSUYTYKTIX-WZRBSPASSA-N 2 1 237.347 0.149 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000068890889 631789133 /nfs/dbraw/zinc/78/91/33/631789133.db2.gz ITYHMKRSPRLNGQ-MXWKQRLJSA-N 2 1 216.325 0.053 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000309014274 631798645 /nfs/dbraw/zinc/79/86/45/631798645.db2.gz QJBKDSMILPEOKH-JTQLQIEISA-N 2 1 208.309 0.623 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]CCN2C)C1 ZINC000849004982 631905355 /nfs/dbraw/zinc/90/53/55/631905355.db2.gz NDRZDJUNCGARIZ-SNVBAGLBSA-N 2 1 210.325 0.219 20 0 BCADMP CC(C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052041550 632052585 /nfs/dbraw/zinc/05/25/85/632052585.db2.gz CVQJIFQSMQSUQJ-UHFFFAOYSA-N 2 1 228.340 0.231 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290512 632060088 /nfs/dbraw/zinc/06/00/88/632060088.db2.gz QGXAUDIGTGGZKQ-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250532130 635699784 /nfs/dbraw/zinc/69/97/84/635699784.db2.gz SAEDQINCRXTDAA-SDDRHHMPSA-N 2 1 230.352 0.443 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125538792 632108916 /nfs/dbraw/zinc/10/89/16/632108916.db2.gz YXYPTUDLGJESIT-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023086823 632125453 /nfs/dbraw/zinc/12/54/53/632125453.db2.gz YLGYBOMCXWYNEE-MXWKQRLJSA-N 2 1 243.326 0.144 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226539951 632408305 /nfs/dbraw/zinc/40/83/05/632408305.db2.gz VYXREODAAHPIOT-CMPLNLGQSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000253188648 632566549 /nfs/dbraw/zinc/56/65/49/632566549.db2.gz JXGBKYYYKAHPQG-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCC[N@H+]1C ZINC000235262288 632591853 /nfs/dbraw/zinc/59/18/53/632591853.db2.gz JFAFQUPRWRWLRM-FRRDWIJNSA-N 2 1 225.380 0.868 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)CN1CCCC1 ZINC000309056130 632629800 /nfs/dbraw/zinc/62/98/00/632629800.db2.gz IJSPFLRPVOVBTB-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CCCN(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000309056130 632629802 /nfs/dbraw/zinc/62/98/02/632629802.db2.gz IJSPFLRPVOVBTB-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CCC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000309056130 632629804 /nfs/dbraw/zinc/62/98/04/632629804.db2.gz IJSPFLRPVOVBTB-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000309056130 632629806 /nfs/dbraw/zinc/62/98/06/632629806.db2.gz IJSPFLRPVOVBTB-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP [NH3+]CC1CC[NH+](C[C@H](O)CN2CCCC2)CC1 ZINC000310299749 632717031 /nfs/dbraw/zinc/71/70/31/632717031.db2.gz UCOOWBHLJSLPIX-CYBMUJFWSA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000310299749 632717033 /nfs/dbraw/zinc/71/70/33/632717033.db2.gz UCOOWBHLJSLPIX-CYBMUJFWSA-N 2 1 241.379 0.114 20 0 BCADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CC[NH+](C)CC1 ZINC000310338237 632724782 /nfs/dbraw/zinc/72/47/82/632724782.db2.gz LVWWWHMMRFCYDK-JQWIXIFHSA-N 2 1 239.363 0.727 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310501356 632750199 /nfs/dbraw/zinc/75/01/99/632750199.db2.gz IAAUEVHNABBNJR-SDDRHHMPSA-N 2 1 239.363 0.442 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310501356 632750203 /nfs/dbraw/zinc/75/02/03/632750203.db2.gz IAAUEVHNABBNJR-SDDRHHMPSA-N 2 1 239.363 0.442 20 0 BCADMP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052042161 632781113 /nfs/dbraw/zinc/78/11/13/632781113.db2.gz KMOHXNMRNOISEK-VIFPVBQESA-N 2 1 210.325 0.605 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000052043905 632781985 /nfs/dbraw/zinc/78/19/85/632781985.db2.gz BAWCBTJQDWZQSJ-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924990801 635827808 /nfs/dbraw/zinc/82/78/08/635827808.db2.gz BLGJCAFSJHESQL-KXNHARMFSA-N 2 1 230.352 0.170 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924990800 635828018 /nfs/dbraw/zinc/82/80/18/635828018.db2.gz BLGJCAFSJHESQL-GMTAPVOTSA-N 2 1 230.352 0.170 20 0 BCADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924994330 635832562 /nfs/dbraw/zinc/83/25/62/635832562.db2.gz PKGFERNCOQWRLZ-JHJVBQTASA-N 2 1 246.395 0.828 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066246562 632860721 /nfs/dbraw/zinc/86/07/21/632860721.db2.gz UGNPNSMINIPLQR-LLVKDONJSA-N 2 1 242.367 0.410 20 0 BCADMP COC(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000161105465 632999188 /nfs/dbraw/zinc/99/91/88/632999188.db2.gz ZMTTUXMKBBARKU-JTQLQIEISA-N 2 1 216.325 0.489 20 0 BCADMP COC(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000161105465 632999194 /nfs/dbraw/zinc/99/91/94/632999194.db2.gz ZMTTUXMKBBARKU-JTQLQIEISA-N 2 1 216.325 0.489 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000308180873 633191222 /nfs/dbraw/zinc/19/12/22/633191222.db2.gz HCIQQMPQIRYRHB-MNOVXSKESA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC000928453664 635996168 /nfs/dbraw/zinc/99/61/68/635996168.db2.gz YINPWHZUMJAXTA-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000928551842 636085039 /nfs/dbraw/zinc/08/50/39/636085039.db2.gz FGYWDFCPNRRKQS-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000928551842 636085041 /nfs/dbraw/zinc/08/50/41/636085041.db2.gz FGYWDFCPNRRKQS-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000928551842 636085043 /nfs/dbraw/zinc/08/50/43/636085043.db2.gz FGYWDFCPNRRKQS-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928562364 636109491 /nfs/dbraw/zinc/10/94/91/636109491.db2.gz DEPYCFAGBWYHFC-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928562364 636109497 /nfs/dbraw/zinc/10/94/97/636109497.db2.gz DEPYCFAGBWYHFC-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928562364 636109499 /nfs/dbraw/zinc/10/94/99/636109499.db2.gz DEPYCFAGBWYHFC-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928562364 636109502 /nfs/dbraw/zinc/10/95/02/636109502.db2.gz DEPYCFAGBWYHFC-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)C[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328547270 633774570 /nfs/dbraw/zinc/77/45/70/633774570.db2.gz ORQDKMFZJZFEEG-VZKILSJISA-N 2 1 238.375 0.979 20 0 BCADMP C1[NH2+][C@H]2[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000328556380 633775023 /nfs/dbraw/zinc/77/50/23/633775023.db2.gz AGRGWTDOZABGIC-JSAZDUPASA-N 2 1 222.332 0.751 20 0 BCADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019774743 633792110 /nfs/dbraw/zinc/79/21/10/633792110.db2.gz GJXWXMSFPSHIDW-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CCc1nncn1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925515356 633856682 /nfs/dbraw/zinc/85/66/82/633856682.db2.gz OQMIDRMZLZSEGU-NSHDSACASA-N 2 1 249.362 0.715 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309373086 633902699 /nfs/dbraw/zinc/90/26/99/633902699.db2.gz CHKWVWFQZYQSDP-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP Cc1c[nH]nc1C[NH2+]CCOCC[NH+](C)C ZINC000309913819 633934081 /nfs/dbraw/zinc/93/40/81/633934081.db2.gz OFWKPUBXHDXOKK-UHFFFAOYSA-N 2 1 226.324 0.386 20 0 BCADMP OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983992 634028026 /nfs/dbraw/zinc/02/80/26/634028026.db2.gz YQXXGSPKTWBTLC-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983992 634028031 /nfs/dbraw/zinc/02/80/31/634028031.db2.gz YQXXGSPKTWBTLC-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558322 634032762 /nfs/dbraw/zinc/03/27/62/634032762.db2.gz SYWWMOKYMBSRQO-NEPJUHHUSA-N 2 1 241.379 0.437 20 0 BCADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925613439 634151965 /nfs/dbraw/zinc/15/19/65/634151965.db2.gz RBIXMVCCFWZBBQ-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000925622157 634182599 /nfs/dbraw/zinc/18/25/99/634182599.db2.gz PDJHRBOAKBVZJF-HBNTYKKESA-N 2 1 235.335 0.323 20 0 BCADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925671646 634257064 /nfs/dbraw/zinc/25/70/64/634257064.db2.gz DYGKRKCGURYNHD-KGUPDPQBSA-N 2 1 222.332 0.750 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000925685096 634300308 /nfs/dbraw/zinc/30/03/08/634300308.db2.gz FRUWFNAAXQBVEJ-AXFHLTTASA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(CC[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000931278360 634303368 /nfs/dbraw/zinc/30/33/68/634303368.db2.gz AAOWVWNKCPNLNC-MQYQWHSLSA-N 2 1 237.391 0.963 20 0 BCADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925694634 634335386 /nfs/dbraw/zinc/33/53/86/634335386.db2.gz VOXJLRSLIZMRSN-OUAUKWLOSA-N 2 1 210.321 0.774 20 0 BCADMP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925698146 634361592 /nfs/dbraw/zinc/36/15/92/634361592.db2.gz CKPDSECHBACOAP-GHMZBOCLSA-N 2 1 215.341 0.082 20 0 BCADMP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925698150 634363224 /nfs/dbraw/zinc/36/32/24/634363224.db2.gz CKPDSECHBACOAP-WDEREUQCSA-N 2 1 215.341 0.082 20 0 BCADMP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699332 634366701 /nfs/dbraw/zinc/36/67/01/634366701.db2.gz ODLKXBOCVIUWED-ZIAGYGMSSA-N 3 1 237.391 0.964 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792809 635324338 /nfs/dbraw/zinc/32/43/38/635324338.db2.gz WGTSYXUZYGCZGY-WYUUTHIRSA-N 2 1 211.353 0.382 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792809 635324339 /nfs/dbraw/zinc/32/43/39/635324339.db2.gz WGTSYXUZYGCZGY-WYUUTHIRSA-N 2 1 211.353 0.382 20 0 BCADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CN3C[C@@H]1CCC3)C2 ZINC000925812519 635369628 /nfs/dbraw/zinc/36/96/28/635369628.db2.gz IMFRXQOXURAYIX-RWMBFGLXSA-N 2 1 246.358 0.882 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000094748815 635386965 /nfs/dbraw/zinc/38/69/65/635386965.db2.gz NIJJIVTUEURFAV-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1c[nH+]ccc1N ZINC000925824463 635416054 /nfs/dbraw/zinc/41/60/54/635416054.db2.gz UAXJDCQDHFTFGM-IDKOKCKLSA-N 2 1 248.330 0.799 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925894512 635620367 /nfs/dbraw/zinc/62/03/67/635620367.db2.gz ZLCZXVIRBSHMTR-AXFHLTTASA-N 2 1 249.362 0.403 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928442527 635945833 /nfs/dbraw/zinc/94/58/33/635945833.db2.gz BBJYCNHTGKXRDM-MNOVXSKESA-N 2 1 227.352 0.535 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928442533 635945940 /nfs/dbraw/zinc/94/59/40/635945940.db2.gz BBJYCNHTGKXRDM-WDEREUQCSA-N 2 1 227.352 0.535 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665282721 636103528 /nfs/dbraw/zinc/10/35/28/636103528.db2.gz AKWFMPXIGUEEQP-UMSGYPCISA-N 3 1 243.395 0.702 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154696 636573800 /nfs/dbraw/zinc/57/38/00/636573800.db2.gz WHDKSXOFYGADKI-ZDEQEGDKSA-N 2 1 224.348 0.953 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000323014941 636888882 /nfs/dbraw/zinc/88/88/82/636888882.db2.gz IJFYXFYNIACYGG-WAAKLRNESA-N 2 1 239.363 0.726 20 0 BCADMP CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000990279624 636927342 /nfs/dbraw/zinc/92/73/42/636927342.db2.gz XVFDSROCCYHFON-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866702729 636931683 /nfs/dbraw/zinc/93/16/83/636931683.db2.gz AIOAKNGIXHYMDR-XQQFMLRXSA-N 2 1 223.364 0.622 20 0 BCADMP CNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706019 636933744 /nfs/dbraw/zinc/93/37/44/636933744.db2.gz DZJAMMFZXOFIMM-LBPRGKRZSA-N 2 1 227.352 0.429 20 0 BCADMP CNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706019 636933748 /nfs/dbraw/zinc/93/37/48/636933748.db2.gz DZJAMMFZXOFIMM-LBPRGKRZSA-N 2 1 227.352 0.429 20 0 BCADMP CCO[C@@H](C[NH2+][C@@H](C)CCOC)C[NH+](C)C ZINC000926966836 636976353 /nfs/dbraw/zinc/97/63/53/636976353.db2.gz YHDBODCNVFYUOQ-RYUDHWBXSA-N 2 1 232.368 0.968 20 0 BCADMP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000924654096 636978482 /nfs/dbraw/zinc/97/84/82/636978482.db2.gz OZMNWPAOMLGCOL-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnnn2C)C1 ZINC000924707884 637016007 /nfs/dbraw/zinc/01/60/07/637016007.db2.gz WASJEJMMLCDBLJ-QWRGUYRKSA-N 2 1 237.351 0.808 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnnn2C)C1 ZINC000924707884 637016009 /nfs/dbraw/zinc/01/60/09/637016009.db2.gz WASJEJMMLCDBLJ-QWRGUYRKSA-N 2 1 237.351 0.808 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COCCO1 ZINC000924723861 637035688 /nfs/dbraw/zinc/03/56/88/637035688.db2.gz MPKMIVVJGYHLOG-FXJUQPSGSA-N 2 1 240.347 0.332 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1C ZINC000927149438 637057763 /nfs/dbraw/zinc/05/77/63/637057763.db2.gz BYFRNULKXVIDHN-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1C ZINC000927149438 637057767 /nfs/dbraw/zinc/05/77/67/637057767.db2.gz BYFRNULKXVIDHN-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000927152592 637065008 /nfs/dbraw/zinc/06/50/08/637065008.db2.gz NXYHAALTQKBNNO-UMSPYCQHSA-N 2 1 212.337 0.831 20 0 BCADMP NOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902419630 637303881 /nfs/dbraw/zinc/30/38/81/637303881.db2.gz RZXKMBWWZLTMBI-QWRGUYRKSA-N 2 1 213.325 0.483 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1N ZINC000903559640 637368922 /nfs/dbraw/zinc/36/89/22/637368922.db2.gz AIQGTDUUIXIASV-VWYCJHECSA-N 2 1 211.353 0.783 20 0 BCADMP CC1(C)CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000903559640 637368927 /nfs/dbraw/zinc/36/89/27/637368927.db2.gz AIQGTDUUIXIASV-VWYCJHECSA-N 2 1 211.353 0.783 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000903551321 637371543 /nfs/dbraw/zinc/37/15/43/637371543.db2.gz FHGVDZOGHXMAHV-SRVKXCTJSA-N 2 1 210.321 0.836 20 0 BCADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000903722924 637378817 /nfs/dbraw/zinc/37/88/17/637378817.db2.gz QQFFHVIADWKXFK-OLZOCXBDSA-N 2 1 240.347 0.477 20 0 BCADMP C[C@@H]1C[C@@H](CN[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461392 637406690 /nfs/dbraw/zinc/40/66/90/637406690.db2.gz IXIXJAKCWSOUFG-GRYCIOLGSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+](C)C ZINC000905042654 637561459 /nfs/dbraw/zinc/56/14/59/637561459.db2.gz PWBZQJIEEHQUJF-NXEZZACHSA-N 2 1 244.408 0.946 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905023305 637571853 /nfs/dbraw/zinc/57/18/53/637571853.db2.gz GWFGXPQJAWNSKQ-LBPRGKRZSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@@H+](Cc1cn(CC2C[NH2+]C2)nn1)C(C)(C)C ZINC000905059136 637590191 /nfs/dbraw/zinc/59/01/91/637590191.db2.gz PFZWPBQBLOLNQO-UHFFFAOYSA-N 2 1 237.351 0.728 20 0 BCADMP [NH3+]CCCCCc1nc(C2([NH3+])CC2)no1 ZINC000905323607 637747804 /nfs/dbraw/zinc/74/78/04/637747804.db2.gz FYEBQVTZMSMOEO-UHFFFAOYSA-N 2 1 210.281 0.689 20 0 BCADMP C[NH+]1CCC(Cc2nc(C3([NH3+])CC3)no2)CC1 ZINC000905323823 637749846 /nfs/dbraw/zinc/74/98/46/637749846.db2.gz CKWXOSMUINJZCM-UHFFFAOYSA-N 2 1 236.319 0.902 20 0 BCADMP CC1(C)[C@H](c2nc(C3([NH3+])CC3)no2)C[C@@H]1[NH3+] ZINC000905332511 637779846 /nfs/dbraw/zinc/77/98/46/637779846.db2.gz WRQJDGDRQDXHRS-BQBZGAKWSA-N 2 1 222.292 0.858 20 0 BCADMP C[N@@H+](C[C@H](O)CNC/C=C/Cl)C1CC1 ZINC000905707432 637891114 /nfs/dbraw/zinc/89/11/14/637891114.db2.gz JLMMIIFUGDVAPG-JYBNPQIESA-N 2 1 218.728 0.784 20 0 BCADMP CN(C)C(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)[nH]1 ZINC000906508373 638179171 /nfs/dbraw/zinc/17/91/71/638179171.db2.gz PZHXTQSEBVOITA-CZMCAQCFSA-N 2 1 236.319 0.296 20 0 BCADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000906508597 638181663 /nfs/dbraw/zinc/18/16/63/638181663.db2.gz RJOZMHFISJXOKD-MGCOHNPYSA-N 2 1 220.272 0.995 20 0 BCADMP CN(C)C(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)[nH]1 ZINC000906510180 638182906 /nfs/dbraw/zinc/18/29/06/638182906.db2.gz PZHXTQSEBVOITA-UHFFFAOYSA-N 2 1 236.319 0.296 20 0 BCADMP [NH3+]C1CC(NCc2cccc3c2CC[NH2+]C3)C1 ZINC000906511453 638183218 /nfs/dbraw/zinc/18/32/18/638183218.db2.gz UMEQJHZTDMARCB-UHFFFAOYSA-N 2 1 231.343 0.912 20 0 BCADMP C[C@H](O)c1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906510430 638183348 /nfs/dbraw/zinc/18/33/48/638183348.db2.gz IMELDRJIZSPPTI-KKMMWDRVSA-N 2 1 227.333 0.776 20 0 BCADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906511057 638184156 /nfs/dbraw/zinc/18/41/56/638184156.db2.gz RMKSPEAMRHLJRE-UHFFFAOYSA-N 2 1 247.342 0.968 20 0 BCADMP [NH3+]Cc1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906518556 638187892 /nfs/dbraw/zinc/18/78/92/638187892.db2.gz RPMISCDVHIEZNP-HAQNSBGRSA-N 2 1 205.305 0.725 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cnc[nH]1 ZINC000908445020 638720132 /nfs/dbraw/zinc/72/01/32/638720132.db2.gz ZOIQJTYDVVNYGV-NSHDSACASA-N 2 1 236.319 0.505 20 0 BCADMP CC[C@H]1CN(C)CCN1C(=O)Cc1cnc[nH]1 ZINC000908445020 638720137 /nfs/dbraw/zinc/72/01/37/638720137.db2.gz ZOIQJTYDVVNYGV-NSHDSACASA-N 2 1 236.319 0.505 20 0 BCADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620056 639683829 /nfs/dbraw/zinc/68/38/29/639683829.db2.gz PAKMFVOTARARCR-VHSXEESVSA-N 2 1 236.319 0.538 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911689007 639729202 /nfs/dbraw/zinc/72/92/02/639729202.db2.gz YHPJJLQUSAKHLN-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H](O)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461390 639761163 /nfs/dbraw/zinc/76/11/63/639761163.db2.gz VXCOWRSEHALIJF-OCIKQUFWSA-N 2 1 242.363 0.285 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762478 639788133 /nfs/dbraw/zinc/78/81/33/639788133.db2.gz OYMFRIIPDNICEY-JTQLQIEISA-N 2 1 227.352 0.713 20 0 BCADMP COCC(COC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930556708 639810978 /nfs/dbraw/zinc/81/09/78/639810978.db2.gz YTRXIEZSNOENQA-CYBMUJFWSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930600736 639816813 /nfs/dbraw/zinc/81/68/13/639816813.db2.gz AOXFBZVVUUFICA-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930600736 639816814 /nfs/dbraw/zinc/81/68/14/639816814.db2.gz AOXFBZVVUUFICA-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930600736 639816816 /nfs/dbraw/zinc/81/68/16/639816816.db2.gz AOXFBZVVUUFICA-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813171 639835832 /nfs/dbraw/zinc/83/58/32/639835832.db2.gz WJQOQEGAFHMCRX-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCCC1 ZINC000930675892 639859368 /nfs/dbraw/zinc/85/93/68/639859368.db2.gz RFTBBBGBHNGVHY-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP CC[C@@H](CO)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823255 639924826 /nfs/dbraw/zinc/92/48/26/639924826.db2.gz GSHGSEYVUUXDRT-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP CC[C@H](CO)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823254 639926159 /nfs/dbraw/zinc/92/61/59/639926159.db2.gz GSHGSEYVUUXDRT-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931402128 640183631 /nfs/dbraw/zinc/18/36/31/640183631.db2.gz SFCLYDXWZVLTOP-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433893 640201730 /nfs/dbraw/zinc/20/17/30/640201730.db2.gz KPCMBWGAQYPYKG-AXFHLTTASA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433893 640201744 /nfs/dbraw/zinc/20/17/44/640201744.db2.gz KPCMBWGAQYPYKG-AXFHLTTASA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433893 640201747 /nfs/dbraw/zinc/20/17/47/640201747.db2.gz KPCMBWGAQYPYKG-AXFHLTTASA-N 2 1 225.336 0.134 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640201976 /nfs/dbraw/zinc/20/19/76/640201976.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640201984 /nfs/dbraw/zinc/20/19/84/640201984.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640201990 /nfs/dbraw/zinc/20/19/90/640201990.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204064 /nfs/dbraw/zinc/20/40/64/640204064.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204069 /nfs/dbraw/zinc/20/40/69/640204069.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204070 /nfs/dbraw/zinc/20/40/70/640204070.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 2 1 238.331 0.576 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)C[C@@H]2C1 ZINC000931439289 640205579 /nfs/dbraw/zinc/20/55/79/640205579.db2.gz TYGIBDKUHILNQP-AGIUHOORSA-N 2 1 240.347 0.285 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC000931439348 640206591 /nfs/dbraw/zinc/20/65/91/640206591.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439348 640206596 /nfs/dbraw/zinc/20/65/96/640206596.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@@](C)(O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439348 640206599 /nfs/dbraw/zinc/20/65/99/640206599.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439348 640206604 /nfs/dbraw/zinc/20/66/04/640206604.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439348 640206614 /nfs/dbraw/zinc/20/66/14/640206614.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccnc3)C[C@@H]2C1 ZINC000931440904 640208312 /nfs/dbraw/zinc/20/83/12/640208312.db2.gz ZVDGPHPKPIXYSC-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccnc3)C[C@@H]2C1 ZINC000931440904 640208320 /nfs/dbraw/zinc/20/83/20/640208320.db2.gz ZVDGPHPKPIXYSC-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccnc3)C[C@@H]2C1 ZINC000931440904 640208325 /nfs/dbraw/zinc/20/83/25/640208325.db2.gz ZVDGPHPKPIXYSC-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931470739 640228037 /nfs/dbraw/zinc/22/80/37/640228037.db2.gz HHUOIVLZGOCOMU-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H](O)[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931701200 640325227 /nfs/dbraw/zinc/32/52/27/640325227.db2.gz XMSKJAYHZDFSSG-VXGBXAGGSA-N 2 1 242.363 0.288 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000044649354 640446324 /nfs/dbraw/zinc/44/63/24/640446324.db2.gz UBONEIPZTRNNFV-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP [NH3+]CCCCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726751 640461755 /nfs/dbraw/zinc/46/17/55/640461755.db2.gz QAYUKVNNXZJMGM-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328407 640747735 /nfs/dbraw/zinc/74/77/35/640747735.db2.gz YOGDIUYMJDBKRH-QWRGUYRKSA-N 2 1 200.326 0.818 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343841 640750362 /nfs/dbraw/zinc/75/03/62/640750362.db2.gz LWRNBOIFQFQKML-VWYCJHECSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343841 640750369 /nfs/dbraw/zinc/75/03/69/640750369.db2.gz LWRNBOIFQFQKML-VWYCJHECSA-N 2 1 200.326 0.817 20 0 BCADMP COCC(COC)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731776 640754963 /nfs/dbraw/zinc/75/49/63/640754963.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933731776 640754944 /nfs/dbraw/zinc/75/49/44/640754944.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731776 640754951 /nfs/dbraw/zinc/75/49/51/640754951.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731776 640754966 /nfs/dbraw/zinc/75/49/66/640754966.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731776 640754972 /nfs/dbraw/zinc/75/49/72/640754972.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731776 640754979 /nfs/dbraw/zinc/75/49/79/640754979.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 1 242.363 0.531 20 0 BCADMP CCNC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741910 640759822 /nfs/dbraw/zinc/75/98/22/640759822.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CCNC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741910 640759824 /nfs/dbraw/zinc/75/98/24/640759824.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CCNC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741910 640759832 /nfs/dbraw/zinc/75/98/32/640759832.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000226396722 640760898 /nfs/dbraw/zinc/76/08/98/640760898.db2.gz NDNTZFZRDNKVFY-SNVBAGLBSA-N 2 1 215.341 0.442 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226419810 640762674 /nfs/dbraw/zinc/76/26/74/640762674.db2.gz CFSBZJHIASWXBF-NSHDSACASA-N 2 1 200.326 0.820 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000059931438 640841597 /nfs/dbraw/zinc/84/15/97/640841597.db2.gz MIUKFHPBXZJCQM-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CN(C[C@H]1CCC[NH2+]1)C[C@H]1CCC[N@H+]1C ZINC000227650064 640844414 /nfs/dbraw/zinc/84/44/14/640844414.db2.gz CXVOPWOBIXVRHM-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548095 640881007 /nfs/dbraw/zinc/88/10/07/640881007.db2.gz RDVMLUUHVAXUSF-IRCOFANPSA-N 2 1 228.336 0.053 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257053 640939670 /nfs/dbraw/zinc/93/96/70/640939670.db2.gz WFYKQKJPKCGMGT-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)CNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000062010567 641015313 /nfs/dbraw/zinc/01/53/13/641015313.db2.gz IVKGWBIEJIJJPN-UHFFFAOYSA-N 2 1 212.341 0.851 20 0 BCADMP CC(C)CNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000062010567 641015317 /nfs/dbraw/zinc/01/53/17/641015317.db2.gz IVKGWBIEJIJJPN-UHFFFAOYSA-N 2 1 212.341 0.851 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](CC)CCC(N)=O ZINC000230730007 641088967 /nfs/dbraw/zinc/08/89/67/641088967.db2.gz NMONXSNPQRKLRJ-UHFFFAOYSA-N 2 1 229.368 0.916 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307933107 641193704 /nfs/dbraw/zinc/19/37/04/641193704.db2.gz DHRBIUUBNSEVMQ-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307933107 641193709 /nfs/dbraw/zinc/19/37/09/641193709.db2.gz DHRBIUUBNSEVMQ-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307945404 641199040 /nfs/dbraw/zinc/19/90/40/641199040.db2.gz YZGZZTLUHWYYPT-BDAKNGLRSA-N 2 1 240.269 0.841 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307945404 641199044 /nfs/dbraw/zinc/19/90/44/641199044.db2.gz YZGZZTLUHWYYPT-BDAKNGLRSA-N 2 1 240.269 0.841 20 0 BCADMP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000913831576 641493332 /nfs/dbraw/zinc/49/33/32/641493332.db2.gz QWULDWVLCMJNBJ-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976175 641512193 /nfs/dbraw/zinc/51/21/93/641512193.db2.gz JWORTDJPVJNNRY-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673691 641535415 /nfs/dbraw/zinc/53/54/15/641535415.db2.gz PUOAKJFPYKSWLD-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315614 641638169 /nfs/dbraw/zinc/63/81/69/641638169.db2.gz WDUNGMYMHYRMIR-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000914315614 641638170 /nfs/dbraw/zinc/63/81/70/641638170.db2.gz WDUNGMYMHYRMIR-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914315614 641638180 /nfs/dbraw/zinc/63/81/80/641638180.db2.gz WDUNGMYMHYRMIR-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[N@H+]1C ZINC000158968093 641660072 /nfs/dbraw/zinc/66/00/72/641660072.db2.gz XSBIPDHHDJXQSB-UWVGGRQHSA-N 2 1 248.330 0.876 20 0 BCADMP CC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260900 641866928 /nfs/dbraw/zinc/86/69/28/641866928.db2.gz WYZQOXITOQRXOS-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260900 641866930 /nfs/dbraw/zinc/86/69/30/641866930.db2.gz WYZQOXITOQRXOS-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307940712 642351186 /nfs/dbraw/zinc/35/11/86/642351186.db2.gz NHKYRKWJFFPSFR-DJLDLDEBSA-N 2 1 240.269 0.969 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307943235 642352403 /nfs/dbraw/zinc/35/24/03/642352403.db2.gz RMEQFHYCVVNHSZ-QMMMGPOBSA-N 2 1 228.258 0.841 20 0 BCADMP CC(=O)NCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000308165402 642469458 /nfs/dbraw/zinc/46/94/58/642469458.db2.gz QKOQNKPBKAKEMP-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000308165402 642469468 /nfs/dbraw/zinc/46/94/68/642469468.db2.gz QKOQNKPBKAKEMP-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967709067 642802612 /nfs/dbraw/zinc/80/26/12/642802612.db2.gz VCQBMNOFVGHHSZ-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000068953504 642814264 /nfs/dbraw/zinc/81/42/64/642814264.db2.gz FFEIRZRZWPLYPF-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000251875361 642884796 /nfs/dbraw/zinc/88/47/96/642884796.db2.gz UJERVDQGPHLVFF-KKOKHZNYSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000251875361 642884799 /nfs/dbraw/zinc/88/47/99/642884799.db2.gz UJERVDQGPHLVFF-KKOKHZNYSA-N 2 1 212.337 0.951 20 0 BCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248939 642950817 /nfs/dbraw/zinc/95/08/17/642950817.db2.gz FGTVBWVSINUSQO-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248939 642950819 /nfs/dbraw/zinc/95/08/19/642950819.db2.gz FGTVBWVSINUSQO-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248939 642950820 /nfs/dbraw/zinc/95/08/20/642950820.db2.gz FGTVBWVSINUSQO-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248940 642952539 /nfs/dbraw/zinc/95/25/39/642952539.db2.gz FGTVBWVSINUSQO-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248940 642952544 /nfs/dbraw/zinc/95/25/44/642952544.db2.gz FGTVBWVSINUSQO-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248940 642952550 /nfs/dbraw/zinc/95/25/50/642952550.db2.gz FGTVBWVSINUSQO-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248942 642953781 /nfs/dbraw/zinc/95/37/81/642953781.db2.gz FGTVBWVSINUSQO-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248942 642953787 /nfs/dbraw/zinc/95/37/87/642953787.db2.gz FGTVBWVSINUSQO-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248942 642953796 /nfs/dbraw/zinc/95/37/96/642953796.db2.gz FGTVBWVSINUSQO-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CC2OCCO2)C1 ZINC000182404283 643015453 /nfs/dbraw/zinc/01/54/53/643015453.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 1 228.336 0.633 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000304362774 643107450 /nfs/dbraw/zinc/10/74/50/643107450.db2.gz MZFTVHUFOYAKAS-NSHDSACASA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252955311 643147149 /nfs/dbraw/zinc/14/71/49/643147149.db2.gz RDQJXFGKNNGMEU-TTWCCPSWSA-N 2 1 244.404 0.968 20 0 BCADMP C[C@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252955311 643147151 /nfs/dbraw/zinc/14/71/51/643147151.db2.gz RDQJXFGKNNGMEU-TTWCCPSWSA-N 2 1 244.404 0.968 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000969356750 643152712 /nfs/dbraw/zinc/15/27/12/643152712.db2.gz MKWLQRACQLVTEN-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969947152 643253658 /nfs/dbraw/zinc/25/36/58/643253658.db2.gz BEOWUEORTDUQNI-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969955694 643256374 /nfs/dbraw/zinc/25/63/74/643256374.db2.gz RMJFZQFYTMXSOP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+](Cc2nccn2C)CC1 ZINC000082474922 643318618 /nfs/dbraw/zinc/31/86/18/643318618.db2.gz IQCGOBZWXJFFQR-JTQLQIEISA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nccn2C)CC1 ZINC000082474923 643319619 /nfs/dbraw/zinc/31/96/19/643319619.db2.gz IQCGOBZWXJFFQR-SNVBAGLBSA-N 2 1 222.336 0.979 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020929033 643341238 /nfs/dbraw/zinc/34/12/38/643341238.db2.gz STANTNKPTYXGFE-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000082594462 643350976 /nfs/dbraw/zinc/35/09/76/643350976.db2.gz QQJLLFSGADCFDL-LLVKDONJSA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000082594462 643350983 /nfs/dbraw/zinc/35/09/83/643350983.db2.gz QQJLLFSGADCFDL-LLVKDONJSA-N 2 1 225.336 0.468 20 0 BCADMP O=C1N[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CC[C@H]2CO1 ZINC000843390667 643362076 /nfs/dbraw/zinc/36/20/76/643362076.db2.gz BRVVPIQKVNYIKE-OUAUKWLOSA-N 2 1 239.319 0.026 20 0 BCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CC[C@H]2CO1 ZINC000843390667 643362082 /nfs/dbraw/zinc/36/20/82/643362082.db2.gz BRVVPIQKVNYIKE-OUAUKWLOSA-N 2 1 239.319 0.026 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000068953521 643436851 /nfs/dbraw/zinc/43/68/51/643436851.db2.gz CISVCRYDICWQSD-MNOVXSKESA-N 2 1 216.325 0.055 20 0 BCADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970714417 643509218 /nfs/dbraw/zinc/50/92/18/643509218.db2.gz GJXWXMSFPSHIDW-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970714436 643509262 /nfs/dbraw/zinc/50/92/62/643509262.db2.gz GJXWXMSFPSHIDW-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681380 643520534 /nfs/dbraw/zinc/52/05/34/643520534.db2.gz QBNPXIFCXKXWHM-RQJHMYQMSA-N 2 1 212.215 0.190 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681380 643520537 /nfs/dbraw/zinc/52/05/37/643520537.db2.gz QBNPXIFCXKXWHM-RQJHMYQMSA-N 2 1 212.215 0.190 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000083676565 643541999 /nfs/dbraw/zinc/54/19/99/643541999.db2.gz IVJQTQHPVTWUNP-SNVBAGLBSA-N 2 1 200.326 0.961 20 0 BCADMP NC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050247976 643664821 /nfs/dbraw/zinc/66/48/21/643664821.db2.gz PNFVELSLKWZPNI-LLVKDONJSA-N 2 1 233.315 0.566 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050247976 643664826 /nfs/dbraw/zinc/66/48/26/643664826.db2.gz PNFVELSLKWZPNI-LLVKDONJSA-N 2 1 233.315 0.566 20 0 BCADMP CC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869944 643824002 /nfs/dbraw/zinc/82/40/02/643824002.db2.gz UZHABUXECFDVDV-ILDUYXDCSA-N 2 1 200.326 0.959 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([NH+](C)C)CC1 ZINC000929264418 643866130 /nfs/dbraw/zinc/86/61/30/643866130.db2.gz SBWMGTLIEUNKRA-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CCO[C@H](C[NH2+]C1CCOCC1)C[NH+](C)C ZINC000922757881 644087242 /nfs/dbraw/zinc/08/72/42/644087242.db2.gz NAXGAIRCOGKYKL-GFCCVEGCSA-N 2 1 230.352 0.722 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@H]1C)C[NH+](C)C ZINC000922754952 644088419 /nfs/dbraw/zinc/08/84/19/644088419.db2.gz WAODJVFIKMTJNB-QJPTWQEYSA-N 2 1 230.352 0.720 20 0 BCADMP OC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000923004476 644228874 /nfs/dbraw/zinc/22/88/74/644228874.db2.gz FDZIICJRLYUAJT-FDYHWXHSSA-N 2 1 224.348 0.974 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283696 644308753 /nfs/dbraw/zinc/30/87/53/644308753.db2.gz XKACMPQSBHTVMB-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279851 644310935 /nfs/dbraw/zinc/31/09/35/644310935.db2.gz DQVNKGZDFGDJSJ-OLZOCXBDSA-N 2 1 244.379 0.691 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279585 644311875 /nfs/dbraw/zinc/31/18/75/644311875.db2.gz QSPNWBTUZZMUJB-AGIUHOORSA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279585 644311879 /nfs/dbraw/zinc/31/18/79/644311879.db2.gz QSPNWBTUZZMUJB-AGIUHOORSA-N 2 1 244.379 0.976 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279428 644312496 /nfs/dbraw/zinc/31/24/96/644312496.db2.gz AQKBPISKKGCBNM-UWVGGRQHSA-N 2 1 218.366 0.381 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279479 644312826 /nfs/dbraw/zinc/31/28/26/644312826.db2.gz CCMCKCIGQQROPY-QWHCGFSZSA-N 2 1 244.379 0.833 20 0 BCADMP N[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282208 644314668 /nfs/dbraw/zinc/31/46/68/644314668.db2.gz SSXPHGINAQDLQR-FOIKRFTLSA-N 2 1 223.364 0.940 20 0 BCADMP N[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282208 644314672 /nfs/dbraw/zinc/31/46/72/644314672.db2.gz SSXPHGINAQDLQR-FOIKRFTLSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282208 644314677 /nfs/dbraw/zinc/31/46/77/644314677.db2.gz SSXPHGINAQDLQR-FOIKRFTLSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282208 644314683 /nfs/dbraw/zinc/31/46/83/644314683.db2.gz SSXPHGINAQDLQR-FOIKRFTLSA-N 3 1 223.364 0.940 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282520 644318039 /nfs/dbraw/zinc/31/80/39/644318039.db2.gz VIHRAFXXOPFGHY-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290192 644322501 /nfs/dbraw/zinc/32/25/01/644322501.db2.gz VLQBYJXREZPXOM-AVGNSLFASA-N 2 1 244.379 0.833 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923289730 644322850 /nfs/dbraw/zinc/32/28/50/644322850.db2.gz LBCGEZZHODASPB-NEPJUHHUSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000923307496 644337082 /nfs/dbraw/zinc/33/70/82/644337082.db2.gz TVWZUUBOZIDEBT-UBHSHLNASA-N 2 1 248.326 0.601 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3ccc(O)cc3C2)C1 ZINC000923307496 644337086 /nfs/dbraw/zinc/33/70/86/644337086.db2.gz TVWZUUBOZIDEBT-UBHSHLNASA-N 2 1 248.326 0.601 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302324 644338841 /nfs/dbraw/zinc/33/88/41/644338841.db2.gz VBEYVODIJYUTLX-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302324 644338848 /nfs/dbraw/zinc/33/88/48/644338848.db2.gz VBEYVODIJYUTLX-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP COC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312492 644340897 /nfs/dbraw/zinc/34/08/97/644340897.db2.gz IJXYDNDGXPBCHW-RHYQMDGZSA-N 2 1 228.336 0.195 20 0 BCADMP CC(C)CO[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923319315 644345815 /nfs/dbraw/zinc/34/58/15/644345815.db2.gz VUUQFJMPZMPBIS-RNJOBUHISA-N 2 1 242.363 0.584 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311041 644346445 /nfs/dbraw/zinc/34/64/45/644346445.db2.gz FRQSALPOVZNAKL-GHMZBOCLSA-N 2 1 242.388 0.802 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000923311054 644347415 /nfs/dbraw/zinc/34/74/15/644347415.db2.gz GDERFQOKEFEXQD-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331432 644348394 /nfs/dbraw/zinc/34/83/94/644348394.db2.gz KTSCMSVVXQBMFF-CYBMUJFWSA-N 2 1 242.363 0.725 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923330425 644349220 /nfs/dbraw/zinc/34/92/20/644349220.db2.gz FDGUIVMZLUIRRA-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP CC[N@H+](Cc1cnn(C)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321260 644349807 /nfs/dbraw/zinc/34/98/07/644349807.db2.gz AXUNGJKPOGTDIS-SRVKXCTJSA-N 2 1 238.335 0.093 20 0 BCADMP CC[N@@H+](Cc1cnn(C)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321260 644349810 /nfs/dbraw/zinc/34/98/10/644349810.db2.gz AXUNGJKPOGTDIS-SRVKXCTJSA-N 2 1 238.335 0.093 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923333995 644353920 /nfs/dbraw/zinc/35/39/20/644353920.db2.gz FBOYKKGLOSSLFQ-GHMZBOCLSA-N 2 1 232.393 0.784 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352362 644368896 /nfs/dbraw/zinc/36/88/96/644368896.db2.gz DEHANCQVHGJALR-WDEREUQCSA-N 2 1 232.393 0.914 20 0 BCADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923366154 644377208 /nfs/dbraw/zinc/37/72/08/644377208.db2.gz KDPOTGYNXNKENB-QWRGUYRKSA-N 2 1 218.341 0.035 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923332025 644361433 /nfs/dbraw/zinc/36/14/33/644361433.db2.gz OFGQGSZGSCZBCX-AVGNSLFASA-N 2 1 244.379 0.832 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344322 644365433 /nfs/dbraw/zinc/36/54/33/644365433.db2.gz GHMBKYPGYNUVCM-VWYCJHECSA-N 2 1 232.393 0.770 20 0 BCADMP OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358142 644367012 /nfs/dbraw/zinc/36/70/12/644367012.db2.gz DJYIEIJVMHGTFV-VXGBXAGGSA-N 2 1 212.337 0.690 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923355984 644374011 /nfs/dbraw/zinc/37/40/11/644374011.db2.gz CRXXXWWEKIROIW-NEPJUHHUSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923355984 644374002 /nfs/dbraw/zinc/37/40/02/644374002.db2.gz CRXXXWWEKIROIW-NEPJUHHUSA-N 2 1 230.352 0.443 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364220 644375932 /nfs/dbraw/zinc/37/59/32/644375932.db2.gz JXKLQNKVLCLTFP-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)C[NH3+] ZINC000923366130 644377001 /nfs/dbraw/zinc/37/70/01/644377001.db2.gz JSJBLWURQHWXJH-PSEXLTFBSA-N 3 1 241.379 0.159 20 0 BCADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923366152 644378595 /nfs/dbraw/zinc/37/85/95/644378595.db2.gz KDPOTGYNXNKENB-GHMZBOCLSA-N 2 1 218.341 0.035 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923370711 644380548 /nfs/dbraw/zinc/38/05/48/644380548.db2.gz QJVYUNSTWNMHNA-WUHRBBMRSA-N 2 1 244.379 0.748 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369110 644381507 /nfs/dbraw/zinc/38/15/07/644381507.db2.gz VXSNTQOERVERFT-WDEREUQCSA-N 3 1 241.379 0.328 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923371185 644383883 /nfs/dbraw/zinc/38/38/83/644383883.db2.gz VOHVFYHTCVEVRS-FVCCEPFGSA-N 2 1 242.363 0.768 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359552 644383956 /nfs/dbraw/zinc/38/39/56/644383956.db2.gz RPHPZVUSJACNKG-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923361688 644386283 /nfs/dbraw/zinc/38/62/83/644386283.db2.gz KVCMHTDTSNAPMX-AMDVSUOASA-N 2 1 204.339 0.132 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362599 644387200 /nfs/dbraw/zinc/38/72/00/644387200.db2.gz PGRPNCQLTGEQDZ-FRRDWIJNSA-N 2 1 242.363 0.315 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923372976 644387866 /nfs/dbraw/zinc/38/78/66/644387866.db2.gz KQHLXIGDHVXCKO-NWDGAFQWSA-N 2 1 230.352 0.491 20 0 BCADMP CO[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374590 644388294 /nfs/dbraw/zinc/38/82/94/644388294.db2.gz ZWZQDIOMJFGLJC-WTPMCQDGSA-N 2 1 228.336 0.194 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CSC ZINC000923380968 644393211 /nfs/dbraw/zinc/39/32/11/644393211.db2.gz YOUCDBNEZMTYMV-SECBINFHSA-N 2 1 206.355 0.252 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)CCC[NH2+]C ZINC000923380027 644393788 /nfs/dbraw/zinc/39/37/88/644393788.db2.gz TXSRWQYMAKMZTR-LLVKDONJSA-N 2 1 218.341 0.315 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923390022 644396432 /nfs/dbraw/zinc/39/64/32/644396432.db2.gz AUUBKIGWFJXBDY-JHJVBQTASA-N 2 1 244.379 0.832 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H](C)COC ZINC000083052935 644397750 /nfs/dbraw/zinc/39/77/50/644397750.db2.gz NLQPKALUUNIWLG-LLVKDONJSA-N 2 1 244.383 0.658 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923385652 644399296 /nfs/dbraw/zinc/39/92/96/644399296.db2.gz FUMIANQOSRPOGH-LLVKDONJSA-N 2 1 232.368 0.689 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923385652 644399299 /nfs/dbraw/zinc/39/92/99/644399299.db2.gz FUMIANQOSRPOGH-LLVKDONJSA-N 2 1 232.368 0.689 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388677 644401369 /nfs/dbraw/zinc/40/13/69/644401369.db2.gz QPRRVRICXPUUFX-WUHRBBMRSA-N 2 1 242.363 0.586 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388672 644403041 /nfs/dbraw/zinc/40/30/41/644403041.db2.gz QPRRVRICXPUUFX-CYDGBPFRSA-N 2 1 242.363 0.586 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399355 644405042 /nfs/dbraw/zinc/40/50/42/644405042.db2.gz QYEMFBQGENUQEQ-AGIUHOORSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399355 644405045 /nfs/dbraw/zinc/40/50/45/644405045.db2.gz QYEMFBQGENUQEQ-AGIUHOORSA-N 2 1 242.363 0.587 20 0 BCADMP OCCN[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923401727 644405950 /nfs/dbraw/zinc/40/59/50/644405950.db2.gz FGBPLFRURDJFIS-CYBMUJFWSA-N 2 1 241.379 0.032 20 0 BCADMP OCCN[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923401727 644405955 /nfs/dbraw/zinc/40/59/55/644405955.db2.gz FGBPLFRURDJFIS-CYBMUJFWSA-N 2 1 241.379 0.032 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCC(F)(F)CC2)C1 ZINC000923402056 644406259 /nfs/dbraw/zinc/40/62/59/644406259.db2.gz SXVMHCUVGCHUKW-GUBZILKMSA-N 2 1 234.290 0.958 20 0 BCADMP CCc1ncc(C[N@H+](C)CCOCC[NH2+]C)o1 ZINC000923401666 644406660 /nfs/dbraw/zinc/40/66/60/644406660.db2.gz PCLVBSWGVGKHIE-UHFFFAOYSA-N 2 1 241.335 0.905 20 0 BCADMP CCc1ncc(C[N@@H+](C)CCOCC[NH2+]C)o1 ZINC000923401666 644406664 /nfs/dbraw/zinc/40/66/64/644406664.db2.gz PCLVBSWGVGKHIE-UHFFFAOYSA-N 2 1 241.335 0.905 20 0 BCADMP CC(C)CC[C@@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923402741 644407708 /nfs/dbraw/zinc/40/77/08/644407708.db2.gz LLOBPBCUAFLGPF-GFCCVEGCSA-N 2 1 232.368 0.691 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401906 644407949 /nfs/dbraw/zinc/40/79/49/644407949.db2.gz ACVZNBCQJURUEG-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392859 644409819 /nfs/dbraw/zinc/40/98/19/644409819.db2.gz LLEZJMHFQWUGMC-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923410474 644412734 /nfs/dbraw/zinc/41/27/34/644412734.db2.gz IEQCQAPSAVTTJE-AGIUHOORSA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411394 644413624 /nfs/dbraw/zinc/41/36/24/644413624.db2.gz OMVYIVCOWAYJCX-YNEHKIRRSA-N 2 1 244.379 0.547 20 0 BCADMP COC[C@@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424309 644418981 /nfs/dbraw/zinc/41/89/81/644418981.db2.gz QMYOBNLSEVYDTE-USZNOCQGSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424309 644418987 /nfs/dbraw/zinc/41/89/87/644418987.db2.gz QMYOBNLSEVYDTE-USZNOCQGSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424306 644419719 /nfs/dbraw/zinc/41/97/19/644419719.db2.gz QMYOBNLSEVYDTE-RHYQMDGZSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424306 644419724 /nfs/dbraw/zinc/41/97/24/644419724.db2.gz QMYOBNLSEVYDTE-RHYQMDGZSA-N 2 1 230.352 0.441 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923429648 644421259 /nfs/dbraw/zinc/42/12/59/644421259.db2.gz ZTTZMHWAZGBGGW-GHMZBOCLSA-N 2 1 244.404 0.975 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923428933 644421766 /nfs/dbraw/zinc/42/17/66/644421766.db2.gz SUYOBMIZHFMERH-QWRGUYRKSA-N 2 1 228.336 0.258 20 0 BCADMP C[C@@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426882 644422367 /nfs/dbraw/zinc/42/23/67/644422367.db2.gz HRCNTADNTCHGON-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923426961 644422380 /nfs/dbraw/zinc/42/23/80/644422380.db2.gz PUHSMRPCMSBBNQ-STQMWFEESA-N 2 1 242.363 0.864 20 0 BCADMP C(C[N@H+]1CCNCC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000923461560 644446000 /nfs/dbraw/zinc/44/60/00/644446000.db2.gz ZBXQTEZCHTVNMW-KGLIPLIRSA-N 2 1 237.391 0.917 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480498 644459100 /nfs/dbraw/zinc/45/91/00/644459100.db2.gz HUDMPFDJRDJLRY-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000923482294 644459552 /nfs/dbraw/zinc/45/95/52/644459552.db2.gz YGOAALOVHXCGLD-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495505 644463166 /nfs/dbraw/zinc/46/31/66/644463166.db2.gz WMPUGIJBGCGESQ-QWRGUYRKSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495505 644463178 /nfs/dbraw/zinc/46/31/78/644463178.db2.gz WMPUGIJBGCGESQ-QWRGUYRKSA-N 2 1 237.351 0.715 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488120 644463778 /nfs/dbraw/zinc/46/37/78/644463778.db2.gz DNKLXCDUWRYZPQ-SCZZXKLOSA-N 2 1 224.308 0.795 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495338 644463810 /nfs/dbraw/zinc/46/38/10/644463810.db2.gz BPNQYPSAASZUQE-OUAUKWLOSA-N 2 1 225.336 0.134 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490168 644464552 /nfs/dbraw/zinc/46/45/52/644464552.db2.gz BONITBKQWNDHAT-SDDRHHMPSA-N 2 1 230.352 0.301 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923491073 644465948 /nfs/dbraw/zinc/46/59/48/644465948.db2.gz QNZOGLWPGMNNKG-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491821 644467296 /nfs/dbraw/zinc/46/72/96/644467296.db2.gz UJEUUPRKYVQCQP-DCAQKATOSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923491547 644467951 /nfs/dbraw/zinc/46/79/51/644467951.db2.gz STYARVMYLATJIA-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923491546 644468363 /nfs/dbraw/zinc/46/83/63/644468363.db2.gz STYARVMYLATJIA-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492861 644468626 /nfs/dbraw/zinc/46/86/26/644468626.db2.gz QKYNHINYOJWDOQ-AGIUHOORSA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(O)CCOCC2)CC[C@@H]1C[NH3+] ZINC000923492937 644468897 /nfs/dbraw/zinc/46/88/97/644468897.db2.gz ZPIRAUAZPMKXPK-VXGBXAGGSA-N 2 1 242.363 0.445 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000923496992 644470449 /nfs/dbraw/zinc/47/04/49/644470449.db2.gz DEBHNZPTIQXOHQ-OPRDCNLKSA-N 2 1 212.293 0.219 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499846 644471752 /nfs/dbraw/zinc/47/17/52/644471752.db2.gz MMDINTJWVPOXNK-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497758 644472717 /nfs/dbraw/zinc/47/27/17/644472717.db2.gz DLAXMOLLGSCWRP-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923499735 644473517 /nfs/dbraw/zinc/47/35/17/644473517.db2.gz LSWZLNDVKHNLGU-YPMHNXCESA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499849 644473802 /nfs/dbraw/zinc/47/38/02/644473802.db2.gz MMDINTJWVPOXNK-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516801 644480784 /nfs/dbraw/zinc/48/07/84/644480784.db2.gz SOOXQVUMSJFRES-GRYCIOLGSA-N 3 1 209.337 0.137 20 0 BCADMP C([C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516801 644480787 /nfs/dbraw/zinc/48/07/87/644480787.db2.gz SOOXQVUMSJFRES-GRYCIOLGSA-N 2 1 209.337 0.137 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515376 644480840 /nfs/dbraw/zinc/48/08/40/644480840.db2.gz FEPCVXJATMOBHI-AXFHLTTASA-N 2 1 230.377 0.252 20 0 BCADMP OC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000088430320 644519551 /nfs/dbraw/zinc/51/95/51/644519551.db2.gz RWWNFBPTROPWPP-TXEJJXNPSA-N 2 1 224.348 0.833 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250486413 644759966 /nfs/dbraw/zinc/75/99/66/644759966.db2.gz ZDUNZHIDHANVMN-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250486413 644759973 /nfs/dbraw/zinc/75/99/73/644759973.db2.gz ZDUNZHIDHANVMN-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000250505484 644761790 /nfs/dbraw/zinc/76/17/90/644761790.db2.gz MFYUODVFSYXRPL-QJPTWQEYSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000250505484 644761794 /nfs/dbraw/zinc/76/17/94/644761794.db2.gz MFYUODVFSYXRPL-QJPTWQEYSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250572826 644764324 /nfs/dbraw/zinc/76/43/24/644764324.db2.gz WQHJFOOVSQJNNV-AXFHLTTASA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251034494 644789552 /nfs/dbraw/zinc/78/95/52/644789552.db2.gz BAIYHLVTUVEWIK-DCAQKATOSA-N 2 1 200.326 0.817 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251898159 644829727 /nfs/dbraw/zinc/82/97/27/644829727.db2.gz WOUNUJHSEBOHDR-IJLUTSLNSA-N 2 1 230.352 0.443 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000251888208 644829799 /nfs/dbraw/zinc/82/97/99/644829799.db2.gz VICNZOXVPXNTNV-OLZOCXBDSA-N 2 1 241.379 0.235 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252683877 644879177 /nfs/dbraw/zinc/87/91/77/644879177.db2.gz FJAYZHYBSOPLSD-OUAUKWLOSA-N 2 1 216.325 0.195 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414951 644905195 /nfs/dbraw/zinc/90/51/95/644905195.db2.gz YTWDGVGTCLHRAG-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000304531092 644915757 /nfs/dbraw/zinc/91/57/57/644915757.db2.gz IRYSQZAIGVAAAF-LLVKDONJSA-N 2 1 224.352 0.608 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867818 644917091 /nfs/dbraw/zinc/91/70/91/644917091.db2.gz RDVMLUUHVAXUSF-WHOHXGKFSA-N 2 1 228.336 0.053 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867817 644918180 /nfs/dbraw/zinc/91/81/80/644918180.db2.gz RDVMLUUHVAXUSF-USZNOCQGSA-N 2 1 228.336 0.053 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615403 645048317 /nfs/dbraw/zinc/04/83/17/645048317.db2.gz KIZGVWCBLMOUFH-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615404 645048455 /nfs/dbraw/zinc/04/84/55/645048455.db2.gz KIZGVWCBLMOUFH-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[S@](C)=O ZINC000828087444 645095375 /nfs/dbraw/zinc/09/53/75/645095375.db2.gz DJNXGGMZJKCZSY-INIZCTEOSA-N 2 1 243.376 0.892 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[S@](C)=O ZINC000828087444 645095377 /nfs/dbraw/zinc/09/53/77/645095377.db2.gz DJNXGGMZJKCZSY-INIZCTEOSA-N 2 1 243.376 0.892 20 0 BCADMP Cn1cnc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1 ZINC000926562344 645283285 /nfs/dbraw/zinc/28/32/85/645283285.db2.gz VSXRDUQZEFXQID-ONXXMXGDSA-N 2 1 248.374 0.892 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000843389668 645288157 /nfs/dbraw/zinc/28/81/57/645288157.db2.gz KQNLJKBKDOKXEI-JTQLQIEISA-N 2 1 224.308 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000843389668 645288161 /nfs/dbraw/zinc/28/81/61/645288161.db2.gz KQNLJKBKDOKXEI-JTQLQIEISA-N 2 1 224.308 0.522 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CNC(=O)C1 ZINC000926575347 645292622 /nfs/dbraw/zinc/29/26/22/645292622.db2.gz DOZRVJKIEMKVGT-WHKIEGFNSA-N 2 1 237.347 0.052 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CNC(=O)C1 ZINC000926575344 645293233 /nfs/dbraw/zinc/29/32/33/645293233.db2.gz DOZRVJKIEMKVGT-HQFGAJJPSA-N 2 1 237.347 0.052 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000844187066 645317299 /nfs/dbraw/zinc/31/72/99/645317299.db2.gz CGNVUGVGRAOJKN-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000926647643 645333396 /nfs/dbraw/zinc/33/33/96/645333396.db2.gz UOCHEZCRGXLUHI-ORZCXNSNSA-N 2 1 237.347 0.180 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCF ZINC000926735438 645394820 /nfs/dbraw/zinc/39/48/20/645394820.db2.gz PCXWGWOPSVYWQD-FOSCPWQOSA-N 2 1 230.327 0.902 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCO ZINC000849023448 645447122 /nfs/dbraw/zinc/44/71/22/645447122.db2.gz VNKKSBJIJZISLB-NSHDSACASA-N 2 1 242.367 0.357 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1COC[C@@H]1C)C[NH+](C)C ZINC000926962209 645501935 /nfs/dbraw/zinc/50/19/35/645501935.db2.gz KMWSMOIXJLCMKS-QJPTWQEYSA-N 2 1 230.352 0.578 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1COC[C@H]1CC)C[NH+](C)C ZINC000926957626 645502084 /nfs/dbraw/zinc/50/20/84/645502084.db2.gz BSMDCLUFRIOFET-JHJVBQTASA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1COC[C@H]1CC)C[NH+](C)C ZINC000926957636 645502446 /nfs/dbraw/zinc/50/24/46/645502446.db2.gz BSMDCLUFRIOFET-UPJWGTAASA-N 2 1 244.379 0.968 20 0 BCADMP C[C@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000113163927 645520532 /nfs/dbraw/zinc/52/05/32/645520532.db2.gz VFPPKZWPMVLWMR-JTQLQIEISA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000928429404 645745242 /nfs/dbraw/zinc/74/52/42/645745242.db2.gz BXSMWUYHUAEVFG-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000928429402 645747781 /nfs/dbraw/zinc/74/77/81/645747781.db2.gz BXSMWUYHUAEVFG-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928436440 645757682 /nfs/dbraw/zinc/75/76/82/645757682.db2.gz GCJIPUCYEWADAZ-SRVKXCTJSA-N 2 1 241.379 0.781 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000928557401 645815258 /nfs/dbraw/zinc/81/52/58/645815258.db2.gz RWIKQCQIMPGIGC-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000928557401 645815260 /nfs/dbraw/zinc/81/52/60/645815260.db2.gz RWIKQCQIMPGIGC-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000928557401 645815263 /nfs/dbraw/zinc/81/52/63/645815263.db2.gz RWIKQCQIMPGIGC-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559096 645815677 /nfs/dbraw/zinc/81/56/77/645815677.db2.gz IJAYLXRYEXJSLZ-MNOVXSKESA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559096 645815683 /nfs/dbraw/zinc/81/56/83/645815683.db2.gz IJAYLXRYEXJSLZ-MNOVXSKESA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559095 645816450 /nfs/dbraw/zinc/81/64/50/645816450.db2.gz IJAYLXRYEXJSLZ-GHMZBOCLSA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559095 645816451 /nfs/dbraw/zinc/81/64/51/645816451.db2.gz IJAYLXRYEXJSLZ-GHMZBOCLSA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559145 645817695 /nfs/dbraw/zinc/81/76/95/645817695.db2.gz IJAYLXRYEXJSLZ-WDEREUQCSA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559145 645817699 /nfs/dbraw/zinc/81/76/99/645817699.db2.gz IJAYLXRYEXJSLZ-WDEREUQCSA-N 2 1 227.352 0.393 20 0 BCADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000220323463 645889968 /nfs/dbraw/zinc/88/99/68/645889968.db2.gz FSPMJLGXGLABJX-UHFFFAOYSA-N 2 1 223.324 0.517 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000221887883 645894655 /nfs/dbraw/zinc/89/46/55/645894655.db2.gz MRRBHPPWNYNIEI-VIFPVBQESA-N 2 1 212.341 0.991 20 0 BCADMP CCCNC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000221886817 645894838 /nfs/dbraw/zinc/89/48/38/645894838.db2.gz YWDBAYMRGHVNJW-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924528696 646047749 /nfs/dbraw/zinc/04/77/49/646047749.db2.gz PSXALIVRWIRTIZ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924648320 646086477 /nfs/dbraw/zinc/08/64/77/646086477.db2.gz JSHIHCHXZYIFFN-FRRDWIJNSA-N 2 1 234.347 0.955 20 0 BCADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924648320 646086482 /nfs/dbraw/zinc/08/64/82/646086482.db2.gz JSHIHCHXZYIFFN-FRRDWIJNSA-N 2 1 234.347 0.955 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924993875 646152380 /nfs/dbraw/zinc/15/23/80/646152380.db2.gz MRIMBDKRNXWCLD-LOWDOPEQSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924995853 646153783 /nfs/dbraw/zinc/15/37/83/646153783.db2.gz ZJLWJCSARGYHNP-WHOHXGKFSA-N 2 1 214.353 0.933 20 0 BCADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CO)CC1 ZINC000929504795 646156699 /nfs/dbraw/zinc/15/66/99/646156699.db2.gz ANQDZLXBWAFNCS-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929504794 646157849 /nfs/dbraw/zinc/15/78/49/646157849.db2.gz ANQDZLXBWAFNCS-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929691193 646247593 /nfs/dbraw/zinc/24/75/93/646247593.db2.gz ZRTAEKABMPXOOZ-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929691193 646247597 /nfs/dbraw/zinc/24/75/97/646247597.db2.gz ZRTAEKABMPXOOZ-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929703800 646258218 /nfs/dbraw/zinc/25/82/18/646258218.db2.gz UPTIGGGAWNPIFD-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CO ZINC000929721797 646273315 /nfs/dbraw/zinc/27/33/15/646273315.db2.gz GRBCKORSEULSMB-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CO ZINC000929721797 646273322 /nfs/dbraw/zinc/27/33/22/646273322.db2.gz GRBCKORSEULSMB-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CO ZINC000929721797 646273330 /nfs/dbraw/zinc/27/33/30/646273330.db2.gz GRBCKORSEULSMB-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CO ZINC000929721797 646273335 /nfs/dbraw/zinc/27/33/35/646273335.db2.gz GRBCKORSEULSMB-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000925436030 646281766 /nfs/dbraw/zinc/28/17/66/646281766.db2.gz VVMIAJTZSQMZQF-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)CO)C1 ZINC000929762600 646294420 /nfs/dbraw/zinc/29/44/20/646294420.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 1 242.363 0.003 20 0 BCADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929762600 646294424 /nfs/dbraw/zinc/29/44/24/646294424.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 1 242.363 0.003 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929762600 646294427 /nfs/dbraw/zinc/29/44/27/646294427.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929762600 646294432 /nfs/dbraw/zinc/29/44/32/646294432.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929762600 646294436 /nfs/dbraw/zinc/29/44/36/646294436.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 1 242.363 0.003 20 0 BCADMP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[N@@H+](C)C1CC1 ZINC000925496279 646301548 /nfs/dbraw/zinc/30/15/48/646301548.db2.gz PUYPHIULLNCUPO-GHMZBOCLSA-N 2 1 227.352 0.047 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C[C@H](O)CO)C[C@@H]1C ZINC000929779152 646304510 /nfs/dbraw/zinc/30/45/10/646304510.db2.gz DUYZYUMDCAWYAI-TUAOUCFPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)C[C@@H]1C ZINC000929779152 646304514 /nfs/dbraw/zinc/30/45/14/646304514.db2.gz DUYZYUMDCAWYAI-TUAOUCFPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)C[C@@H]1C ZINC000929779152 646304517 /nfs/dbraw/zinc/30/45/17/646304517.db2.gz DUYZYUMDCAWYAI-TUAOUCFPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)CO)C[C@@H]1C ZINC000929779151 646305087 /nfs/dbraw/zinc/30/50/87/646305087.db2.gz DUYZYUMDCAWYAI-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)C[C@@H]1C ZINC000929779151 646305092 /nfs/dbraw/zinc/30/50/92/646305092.db2.gz DUYZYUMDCAWYAI-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)C[C@@H]1C ZINC000929779151 646305095 /nfs/dbraw/zinc/30/50/95/646305095.db2.gz DUYZYUMDCAWYAI-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1=O ZINC000925510591 646307587 /nfs/dbraw/zinc/30/75/87/646307587.db2.gz XSFVYUSPMVSTOP-GHMZBOCLSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925511171 646308421 /nfs/dbraw/zinc/30/84/21/646308421.db2.gz HUTRTIJZPBTRHJ-MNOVXSKESA-N 2 1 235.335 0.541 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779155 646308998 /nfs/dbraw/zinc/30/89/98/646308998.db2.gz DUYZYUMDCAWYAI-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779155 646309005 /nfs/dbraw/zinc/30/90/05/646309005.db2.gz DUYZYUMDCAWYAI-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779155 646309011 /nfs/dbraw/zinc/30/90/11/646309011.db2.gz DUYZYUMDCAWYAI-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779155 646309016 /nfs/dbraw/zinc/30/90/16/646309016.db2.gz DUYZYUMDCAWYAI-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929780354 646309660 /nfs/dbraw/zinc/30/96/60/646309660.db2.gz QTQTXPIZSGVNNY-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929780354 646309662 /nfs/dbraw/zinc/30/96/62/646309662.db2.gz QTQTXPIZSGVNNY-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929780354 646309664 /nfs/dbraw/zinc/30/96/64/646309664.db2.gz QTQTXPIZSGVNNY-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929780354 646309665 /nfs/dbraw/zinc/30/96/65/646309665.db2.gz QTQTXPIZSGVNNY-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)O)C1 ZINC000929782574 646309726 /nfs/dbraw/zinc/30/97/26/646309726.db2.gz XFUZHJKVDAWVAQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929782574 646309729 /nfs/dbraw/zinc/30/97/29/646309729.db2.gz XFUZHJKVDAWVAQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929782574 646309731 /nfs/dbraw/zinc/30/97/31/646309731.db2.gz XFUZHJKVDAWVAQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929781589 646309863 /nfs/dbraw/zinc/30/98/63/646309863.db2.gz YUDIYJPWUNDRLS-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929781589 646309867 /nfs/dbraw/zinc/30/98/67/646309867.db2.gz YUDIYJPWUNDRLS-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925519624 646313056 /nfs/dbraw/zinc/31/30/56/646313056.db2.gz VAMFDMJGXCDPSA-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(COC)COC)C1 ZINC000929789403 646318840 /nfs/dbraw/zinc/31/88/40/646318840.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C(COC)COC)C1 ZINC000929789403 646318848 /nfs/dbraw/zinc/31/88/48/646318848.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C(COC)COC)C1 ZINC000929789403 646318852 /nfs/dbraw/zinc/31/88/52/646318852.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C(COC)COC)C1 ZINC000929789403 646318859 /nfs/dbraw/zinc/31/88/59/646318859.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C(COC)COC)C1 ZINC000929789403 646318866 /nfs/dbraw/zinc/31/88/66/646318866.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 1 244.379 0.921 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)C[N@H+]1C1CC1 ZINC000925543592 646324317 /nfs/dbraw/zinc/32/43/17/646324317.db2.gz VNFLTJAEJNHVBV-GRYCIOLGSA-N 2 1 239.363 0.190 20 0 BCADMP C[C@H]1CCC[N@@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550391 646328486 /nfs/dbraw/zinc/32/84/86/646328486.db2.gz LUDUNSGZYZGCBZ-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553552 646330831 /nfs/dbraw/zinc/33/08/31/646330831.db2.gz QQEUUUMSZQXQDS-FRRDWIJNSA-N 2 1 239.363 0.191 20 0 BCADMP CCn1cnnc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925575537 646341486 /nfs/dbraw/zinc/34/14/86/646341486.db2.gz VUUSGULZUCUINN-QWRGUYRKSA-N 2 1 237.351 0.571 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577616 646343815 /nfs/dbraw/zinc/34/38/15/646343815.db2.gz PCIJZQWENFLLFR-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925609866 646359343 /nfs/dbraw/zinc/35/93/43/646359343.db2.gz BCGNUBKZHMDHEE-AXFHLTTASA-N 2 1 244.404 0.973 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925612090 646359629 /nfs/dbraw/zinc/35/96/29/646359629.db2.gz ILDGFFCFPIKRRC-UPJWGTAASA-N 2 1 244.379 0.750 20 0 BCADMP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925609365 646360062 /nfs/dbraw/zinc/36/00/62/646360062.db2.gz TZGLDAFFVZIQGJ-ZYHUDNBSSA-N 2 1 212.337 0.878 20 0 BCADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925616168 646364802 /nfs/dbraw/zinc/36/48/02/646364802.db2.gz KQZUVMHUIJEAOQ-LLVKDONJSA-N 2 1 240.347 0.260 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000925647269 646374514 /nfs/dbraw/zinc/37/45/14/646374514.db2.gz BIHVOLHYQJVQOF-JTQLQIEISA-N 2 1 212.337 0.879 20 0 BCADMP C[N@@H+]1CCO[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925620184 646367290 /nfs/dbraw/zinc/36/72/90/646367290.db2.gz FJSXZIHVNCPDRW-MNOVXSKESA-N 2 1 227.352 0.047 20 0 BCADMP C[N@H+]1CCO[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925620184 646367295 /nfs/dbraw/zinc/36/72/95/646367295.db2.gz FJSXZIHVNCPDRW-MNOVXSKESA-N 2 1 227.352 0.047 20 0 BCADMP C[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925620183 646367477 /nfs/dbraw/zinc/36/74/77/646367477.db2.gz FJSXZIHVNCPDRW-GHMZBOCLSA-N 2 1 227.352 0.047 20 0 BCADMP C[N@H+]1CCO[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925620183 646367478 /nfs/dbraw/zinc/36/74/78/646367478.db2.gz FJSXZIHVNCPDRW-GHMZBOCLSA-N 2 1 227.352 0.047 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000925624400 646368951 /nfs/dbraw/zinc/36/89/51/646368951.db2.gz WVVIWTRFGRQJFV-GXSJLCMTSA-N 2 1 230.377 0.585 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925623183 646370248 /nfs/dbraw/zinc/37/02/48/646370248.db2.gz QBEPOAGGFRNWSS-GHMZBOCLSA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000925640988 646383372 /nfs/dbraw/zinc/38/33/72/646383372.db2.gz WYXZWSZBDJVEQE-SNVBAGLBSA-N 2 1 228.336 0.870 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000925644352 646384451 /nfs/dbraw/zinc/38/44/51/646384451.db2.gz MAHUMSXBOGQCDQ-MNOVXSKESA-N 2 1 234.347 0.928 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000925644352 646384453 /nfs/dbraw/zinc/38/44/53/646384453.db2.gz MAHUMSXBOGQCDQ-MNOVXSKESA-N 2 1 234.347 0.928 20 0 BCADMP COCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925654023 646392625 /nfs/dbraw/zinc/39/26/25/646392625.db2.gz KAXASDMZEDGXSG-WDEREUQCSA-N 2 1 228.336 0.258 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000925684786 646410320 /nfs/dbraw/zinc/41/03/20/646410320.db2.gz JFAXAHFRFBXWSM-HOSYDEDBSA-N 2 1 225.336 0.385 20 0 BCADMP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC(=O)N1 ZINC000925684609 646411936 /nfs/dbraw/zinc/41/19/36/646411936.db2.gz IKQIUGOAQVZXPB-CXDPWYCBSA-N 2 1 249.358 0.241 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686350 646412642 /nfs/dbraw/zinc/41/26/42/646412642.db2.gz UNXGRQFNXGKKBG-LMLFDSFASA-N 2 1 225.336 0.371 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH2+]CC1)[NH2+]2 ZINC000925694417 646419234 /nfs/dbraw/zinc/41/92/34/646419234.db2.gz UINSUYFGNVQRDI-SYEHKZFSSA-N 3 1 223.364 0.857 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925700601 646425163 /nfs/dbraw/zinc/42/51/63/646425163.db2.gz VRHMUGMKKVYXFT-YUMQZZPRSA-N 2 1 219.279 0.440 20 0 BCADMP NC1(C[NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)CCC1 ZINC000925700362 646425236 /nfs/dbraw/zinc/42/52/36/646425236.db2.gz SGIXPHZHBYZLSK-ZYANWLCNSA-N 2 1 223.364 0.973 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925700600 646425710 /nfs/dbraw/zinc/42/57/10/646425710.db2.gz VRHMUGMKKVYXFT-SFYZADRCSA-N 2 1 219.279 0.440 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925705073 646429438 /nfs/dbraw/zinc/42/94/38/646429438.db2.gz JDZUZKGUJWSTMM-NEPJUHHUSA-N 2 1 241.379 0.437 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925709120 646433079 /nfs/dbraw/zinc/43/30/79/646433079.db2.gz SKSRKNXPIWEFEM-LLVKDONJSA-N 2 1 237.347 0.363 20 0 BCADMP CO[C@@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925711527 646436761 /nfs/dbraw/zinc/43/67/61/646436761.db2.gz MNPWVPIDFXRMQN-KUYXLPFXSA-N 2 1 210.321 0.607 20 0 BCADMP CCn1nncc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925721599 646445595 /nfs/dbraw/zinc/44/55/95/646445595.db2.gz OROYHMPXXPVXSU-WDEREUQCSA-N 2 1 235.335 0.658 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000925724313 646450737 /nfs/dbraw/zinc/45/07/37/646450737.db2.gz IZZSFNCDGFHYKV-NXEZZACHSA-N 2 1 235.322 0.913 20 0 BCADMP C(N[C@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726989 646452401 /nfs/dbraw/zinc/45/24/01/646452401.db2.gz MNIICGIXIXBSFZ-RNJOBUHISA-N 2 1 239.363 0.095 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000925737937 646453466 /nfs/dbraw/zinc/45/34/66/646453466.db2.gz RCPJLOBHOZDMQS-MNOVXSKESA-N 2 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])NCc1cc(N)cc[nH+]1 ZINC000925766340 646468840 /nfs/dbraw/zinc/46/88/40/646468840.db2.gz JCEXEIUSICSWMT-NSHDSACASA-N 3 1 238.335 0.507 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779784 646478023 /nfs/dbraw/zinc/47/80/23/646478023.db2.gz ZXMAEOGUDFJFNO-GUBZILKMSA-N 3 1 235.322 0.947 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000925781845 646479466 /nfs/dbraw/zinc/47/94/66/646479466.db2.gz GTVSMFXSQJUOEP-DNIRFERGSA-N 2 1 223.364 0.667 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782084 646479564 /nfs/dbraw/zinc/47/95/64/646479564.db2.gz KUNALTQOHUVQLB-GMTAPVOTSA-N 2 1 247.333 0.771 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000925788058 646482449 /nfs/dbraw/zinc/48/24/49/646482449.db2.gz XWPWESBMNLIBPZ-NDBYEHHHSA-N 2 1 225.380 0.820 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925797628 646486606 /nfs/dbraw/zinc/48/66/06/646486606.db2.gz URUMYBRFPJRFMK-ZTQNTSQUSA-N 2 1 249.402 0.818 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925797028 646487243 /nfs/dbraw/zinc/48/72/43/646487243.db2.gz SVRCGQWZYAQNKD-XQHKEYJVSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000925810579 646491190 /nfs/dbraw/zinc/49/11/90/646491190.db2.gz FMXOGJNNJREXMI-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925822927 646496284 /nfs/dbraw/zinc/49/62/84/646496284.db2.gz MGQRAUFAJGSTKH-AGVGLQIMSA-N 2 1 225.336 0.228 20 0 BCADMP CN(C)[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000925836417 646504139 /nfs/dbraw/zinc/50/41/39/646504139.db2.gz KKYADIRCSUCJNH-BDAKNGLRSA-N 2 1 239.285 0.821 20 0 BCADMP O=C1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1 ZINC000925840822 646506422 /nfs/dbraw/zinc/50/64/22/646506422.db2.gz XVVCTOUQFQSHEO-GHMZBOCLSA-N 2 1 237.347 0.387 20 0 BCADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000925839179 646507046 /nfs/dbraw/zinc/50/70/46/646507046.db2.gz GWJKLFPZEZWLSN-RAIGVLPGSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CNOC1)[NH2+]2 ZINC000925863649 646516271 /nfs/dbraw/zinc/51/62/71/646516271.db2.gz DHERHYKXLAGNMA-KJPMQGKISA-N 2 1 211.309 0.008 20 0 BCADMP CC[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925875171 646525390 /nfs/dbraw/zinc/52/53/90/646525390.db2.gz PXODFHUMQISGTG-XQQFMLRXSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926174494 646588377 /nfs/dbraw/zinc/58/83/77/646588377.db2.gz SCIVQGSGWSIJFF-LOWDOPEQSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926174494 646588380 /nfs/dbraw/zinc/58/83/80/646588380.db2.gz SCIVQGSGWSIJFF-LOWDOPEQSA-N 2 1 242.363 0.314 20 0 BCADMP Cc1nonc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000926255712 646606236 /nfs/dbraw/zinc/60/62/36/646606236.db2.gz SHJNBCKNJGAGGR-SECBINFHSA-N 2 1 242.323 0.607 20 0 BCADMP Cn1nncc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926431469 646637429 /nfs/dbraw/zinc/63/74/29/646637429.db2.gz FLVZVFLOZUFGGW-DHHPTOIESA-N 2 1 235.335 0.245 20 0 BCADMP Cn1nncc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926431469 646637433 /nfs/dbraw/zinc/63/74/33/646637433.db2.gz FLVZVFLOZUFGGW-DHHPTOIESA-N 2 1 235.335 0.245 20 0 BCADMP C[C@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)C[NH+](C)C ZINC000926476361 646653079 /nfs/dbraw/zinc/65/30/79/646653079.db2.gz ZZQWQVVTRCLJTL-NXEZZACHSA-N 2 1 227.352 0.298 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708774 711535260 /nfs/dbraw/zinc/53/52/60/711535260.db2.gz ICHKAEHCJAXKOI-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699844 711534450 /nfs/dbraw/zinc/53/44/50/711534450.db2.gz VTRWEZCHTZFPCX-QWRGUYRKSA-N 2 1 216.325 0.055 20 0 BCADMP CCc1noc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723701869 711535774 /nfs/dbraw/zinc/53/57/74/711535774.db2.gz VYGFWMYUSLRXFQ-SECBINFHSA-N 2 1 224.308 0.803 20 0 BCADMP CCc1noc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723701869 711535776 /nfs/dbraw/zinc/53/57/76/711535776.db2.gz VYGFWMYUSLRXFQ-SECBINFHSA-N 2 1 224.308 0.803 20 0 BCADMP COC[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723880232 711542877 /nfs/dbraw/zinc/54/28/77/711542877.db2.gz FKUJQKFNCOZWIW-HBNTYKKESA-N 2 1 200.326 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724912403 711626943 /nfs/dbraw/zinc/62/69/43/711626943.db2.gz CWOFGRGSHXIXCA-UTUOFQBUSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724913212 711627170 /nfs/dbraw/zinc/62/71/70/711627170.db2.gz FPDHMZKQPLDYCE-QWRGUYRKSA-N 2 1 214.309 0.073 20 0 BCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000383376611 711657592 /nfs/dbraw/zinc/65/75/92/711657592.db2.gz DASRKNDRVKMKCA-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000383376611 711657594 /nfs/dbraw/zinc/65/75/94/711657594.db2.gz DASRKNDRVKMKCA-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000383376611 711657595 /nfs/dbraw/zinc/65/75/95/711657595.db2.gz DASRKNDRVKMKCA-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000393728077 711676624 /nfs/dbraw/zinc/67/66/24/711676624.db2.gz JTUIPJYLPQJTJJ-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000393728077 711676625 /nfs/dbraw/zinc/67/66/25/711676625.db2.gz JTUIPJYLPQJTJJ-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP COC[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)C(C)C ZINC000721963822 711694943 /nfs/dbraw/zinc/69/49/43/711694943.db2.gz LVZUVYDBLURWEX-MNOVXSKESA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)C(C)C ZINC000721963822 711694946 /nfs/dbraw/zinc/69/49/46/711694946.db2.gz LVZUVYDBLURWEX-MNOVXSKESA-N 2 1 200.326 0.938 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724914140 711743747 /nfs/dbraw/zinc/74/37/47/711743747.db2.gz JGMZBHJEWQXMMM-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP CCN1CCC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1=O ZINC000722351249 711743917 /nfs/dbraw/zinc/74/39/17/711743917.db2.gz PYLAWIYJWORCEA-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702287161 712045356 /nfs/dbraw/zinc/04/53/56/712045356.db2.gz HDNLEZQJYTVYGG-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702287161 712045358 /nfs/dbraw/zinc/04/53/58/712045358.db2.gz HDNLEZQJYTVYGG-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702287161 712045360 /nfs/dbraw/zinc/04/53/60/712045360.db2.gz HDNLEZQJYTVYGG-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(C)COC1 ZINC000702971325 712062629 /nfs/dbraw/zinc/06/26/29/712062629.db2.gz GJFTXOQZDHNGRE-GFCCVEGCSA-N 2 1 242.363 0.411 20 0 BCADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCO)C[C@]2(C)C1 ZINC000705657885 712135275 /nfs/dbraw/zinc/13/52/75/712135275.db2.gz HGTLPHZLLQDWKK-TXEJJXNPSA-N 2 1 212.337 0.642 20 0 BCADMP C[N@H+]1C[C@]2(C)C[NH+](CCCO)C[C@]2(C)C1 ZINC000705657885 712135276 /nfs/dbraw/zinc/13/52/76/712135276.db2.gz HGTLPHZLLQDWKK-TXEJJXNPSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+]1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1 ZINC000705657885 712135277 /nfs/dbraw/zinc/13/52/77/712135277.db2.gz HGTLPHZLLQDWKK-TXEJJXNPSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1 ZINC000705657885 712135279 /nfs/dbraw/zinc/13/52/79/712135279.db2.gz HGTLPHZLLQDWKK-TXEJJXNPSA-N 2 1 212.337 0.642 20 0 BCADMP COC(=O)CCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000707526443 712171684 /nfs/dbraw/zinc/17/16/84/712171684.db2.gz XWNTXWPGEUSMCK-VIFPVBQESA-N 2 1 202.298 0.609 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708216169 712183962 /nfs/dbraw/zinc/18/39/62/712183962.db2.gz MVVCZWBBKKFDMO-GMTAPVOTSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708216169 712183966 /nfs/dbraw/zinc/18/39/66/712183966.db2.gz MVVCZWBBKKFDMO-GMTAPVOTSA-N 2 1 227.352 0.428 20 0 BCADMP CCCCOC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830379 712200225 /nfs/dbraw/zinc/20/02/25/712200225.db2.gz LZYCKTHJPXSTMH-YNEHKIRRSA-N 2 1 244.379 0.691 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709039206 712205666 /nfs/dbraw/zinc/20/56/66/712205666.db2.gz ZQHDGWCUTPNDES-NEPJUHHUSA-N 2 1 230.352 0.587 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709039206 712205668 /nfs/dbraw/zinc/20/56/68/712205668.db2.gz ZQHDGWCUTPNDES-NEPJUHHUSA-N 2 1 230.352 0.587 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000708577085 712213304 /nfs/dbraw/zinc/21/33/04/712213304.db2.gz NSOWFENPGNZDPG-YNEHKIRRSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000708577085 712213305 /nfs/dbraw/zinc/21/33/05/712213305.db2.gz NSOWFENPGNZDPG-YNEHKIRRSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868824 712260092 /nfs/dbraw/zinc/26/00/92/712260092.db2.gz JMBLGEVCCCVLPR-SRVKXCTJSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479756 712334221 /nfs/dbraw/zinc/33/42/21/712334221.db2.gz SLNHJRUFUWPJGT-QWHCGFSZSA-N 2 1 244.379 0.691 20 0 BCADMP CC[N@H+](CC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000379776571 712398809 /nfs/dbraw/zinc/39/88/09/712398809.db2.gz DDMIVVMQRVQSBI-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000390677394 712423866 /nfs/dbraw/zinc/42/38/66/712423866.db2.gz WBXGMJAQBFPESS-ZDUSSCGKSA-N 2 1 224.348 0.974 20 0 BCADMP COC[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000714472357 712491347 /nfs/dbraw/zinc/49/13/47/712491347.db2.gz USLWOHHYHWXZGE-LOWVWBTDSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714472357 712491348 /nfs/dbraw/zinc/49/13/48/712491348.db2.gz USLWOHHYHWXZGE-LOWVWBTDSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145349 712511837 /nfs/dbraw/zinc/51/18/37/712511837.db2.gz ZXSPZNZRGUOEAY-IUCAKERBSA-N 2 1 249.305 0.283 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715154760 712512955 /nfs/dbraw/zinc/51/29/55/712512955.db2.gz YITMGWOHSGBGFF-CIUDSAMLSA-N 2 1 247.289 0.037 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715124866 712510943 /nfs/dbraw/zinc/51/09/43/712510943.db2.gz SEPUZIDVGRGBDW-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(C)(C)O)C[C@@H]2C1 ZINC000380108071 712687794 /nfs/dbraw/zinc/68/77/94/712687794.db2.gz RFJPGSCTLKRDKG-MNOVXSKESA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(C)(C)O)C[C@@H]2C1 ZINC000380108071 712687795 /nfs/dbraw/zinc/68/77/95/712687795.db2.gz RFJPGSCTLKRDKG-MNOVXSKESA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(C)(C)O)C[C@@H]2C1 ZINC000380108071 712687797 /nfs/dbraw/zinc/68/77/97/712687797.db2.gz RFJPGSCTLKRDKG-MNOVXSKESA-N 2 1 212.337 0.641 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160062945 712724280 /nfs/dbraw/zinc/72/42/80/712724280.db2.gz WOEWMCJRVJJKJQ-SNVBAGLBSA-N 2 1 223.324 0.469 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160062945 712724283 /nfs/dbraw/zinc/72/42/83/712724283.db2.gz WOEWMCJRVJJKJQ-SNVBAGLBSA-N 2 1 223.324 0.469 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000037647114 712733755 /nfs/dbraw/zinc/73/37/55/712733755.db2.gz JBQFOHDKCUJERC-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718157842 712749906 /nfs/dbraw/zinc/74/99/06/712749906.db2.gz WCXBOOCJLHPERX-KXNHARMFSA-N 2 1 210.321 0.420 20 0 BCADMP c1cc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000719834164 712823829 /nfs/dbraw/zinc/82/38/29/712823829.db2.gz WEOLZZCJJASIMB-NXEZZACHSA-N 2 1 223.345 0.837 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000380232962 712835237 /nfs/dbraw/zinc/83/52/37/712835237.db2.gz RUTTXZVAYXWDTJ-CHWSQXEVSA-N 2 1 240.347 0.724 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000380232962 712835238 /nfs/dbraw/zinc/83/52/38/712835238.db2.gz RUTTXZVAYXWDTJ-CHWSQXEVSA-N 2 1 240.347 0.724 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720870140 712871817 /nfs/dbraw/zinc/87/18/17/712871817.db2.gz KTNRBRYYCOLLJR-WISYIIOYSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720870140 712871819 /nfs/dbraw/zinc/87/18/19/712871819.db2.gz KTNRBRYYCOLLJR-WISYIIOYSA-N 2 1 228.336 0.195 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720897511 712876934 /nfs/dbraw/zinc/87/69/34/712876934.db2.gz HTKCPCDZEOIPMH-DCAQKATOSA-N 2 1 225.336 0.289 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896255 712876575 /nfs/dbraw/zinc/87/65/75/712876575.db2.gz PVSURXCYYHJAKG-UPJWGTAASA-N 2 1 223.364 0.907 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000380983896 710596084 /nfs/dbraw/zinc/59/60/84/710596084.db2.gz JDAQXNRYFTVBHO-VWYCJHECSA-N 2 1 225.336 0.324 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381394800 710632343 /nfs/dbraw/zinc/63/23/43/710632343.db2.gz PFOZQAIOLLUAQA-LBPRGKRZSA-N 2 1 223.320 0.942 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000721952760 710694363 /nfs/dbraw/zinc/69/43/63/710694363.db2.gz AWZGCKAVHKTWTJ-WYUUTHIRSA-N 2 1 210.321 0.705 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000721952760 710694366 /nfs/dbraw/zinc/69/43/66/710694366.db2.gz AWZGCKAVHKTWTJ-WYUUTHIRSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381786366 710716145 /nfs/dbraw/zinc/71/61/45/710716145.db2.gz YWPWNWWFZAZTGY-QCNOEVLYSA-N 3 1 211.353 0.783 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000381823831 710723777 /nfs/dbraw/zinc/72/37/77/710723777.db2.gz KXIRYSGIJDPNSZ-QWRGUYRKSA-N 2 1 216.325 0.332 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H]1CC[NH3+] ZINC000723891105 710733476 /nfs/dbraw/zinc/73/34/76/710733476.db2.gz KTOBIONTXINRCY-NXEZZACHSA-N 2 1 208.309 0.826 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CC[NH3+] ZINC000723912617 710733927 /nfs/dbraw/zinc/73/39/27/710733927.db2.gz RAYVISHHUFJXMR-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922246 710749223 /nfs/dbraw/zinc/74/92/23/710749223.db2.gz PUSJPHQRDRJORS-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922246 710749224 /nfs/dbraw/zinc/74/92/24/710749224.db2.gz PUSJPHQRDRJORS-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724943316 710750632 /nfs/dbraw/zinc/75/06/32/710750632.db2.gz NOQNBLJUXRIGHW-GFCCVEGCSA-N 2 1 242.363 0.866 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724943316 710750634 /nfs/dbraw/zinc/75/06/34/710750634.db2.gz NOQNBLJUXRIGHW-GFCCVEGCSA-N 2 1 242.363 0.866 20 0 BCADMP Cc1cc(C[N@H+](C)CCC[NH3+])c(C)nn1 ZINC000381979507 710762640 /nfs/dbraw/zinc/76/26/40/710762640.db2.gz GUXIKTYOAGAESY-UHFFFAOYSA-N 2 1 208.309 0.874 20 0 BCADMP Cc1cc(C[N@@H+](C)CCC[NH3+])c(C)nn1 ZINC000381979507 710762642 /nfs/dbraw/zinc/76/26/42/710762642.db2.gz GUXIKTYOAGAESY-UHFFFAOYSA-N 2 1 208.309 0.874 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042538737 710792031 /nfs/dbraw/zinc/79/20/31/710792031.db2.gz QTUSEPKXFOVMHH-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042538737 710792034 /nfs/dbraw/zinc/79/20/34/710792034.db2.gz QTUSEPKXFOVMHH-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP COCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133088590 710967571 /nfs/dbraw/zinc/96/75/71/710967571.db2.gz XIEUFCWTLFVGJJ-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000382502890 710971539 /nfs/dbraw/zinc/97/15/39/710971539.db2.gz RXWAIBXQFDPTFH-GFCCVEGCSA-N 2 1 225.336 0.326 20 0 BCADMP OC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382629950 710973702 /nfs/dbraw/zinc/97/37/02/710973702.db2.gz QHKGPVBDRKQDQX-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382629950 710973705 /nfs/dbraw/zinc/97/37/05/710973705.db2.gz QHKGPVBDRKQDQX-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382629943 710973859 /nfs/dbraw/zinc/97/38/59/710973859.db2.gz QHKGPVBDRKQDQX-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382629943 710973860 /nfs/dbraw/zinc/97/38/60/710973860.db2.gz QHKGPVBDRKQDQX-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)OC ZINC000383115098 710977714 /nfs/dbraw/zinc/97/77/14/710977714.db2.gz SLSFAPISUYWPPR-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)OC ZINC000383115098 710977720 /nfs/dbraw/zinc/97/77/20/710977720.db2.gz SLSFAPISUYWPPR-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384658225 710994867 /nfs/dbraw/zinc/99/48/67/710994867.db2.gz VMOKTTHUAYWXKR-WYUUTHIRSA-N 2 1 212.337 0.639 20 0 BCADMP CCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384658225 710994870 /nfs/dbraw/zinc/99/48/70/710994870.db2.gz VMOKTTHUAYWXKR-WYUUTHIRSA-N 2 1 212.337 0.639 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3CC3)C[C@H]21 ZINC000384674780 710995801 /nfs/dbraw/zinc/99/58/01/710995801.db2.gz YUGZEXSBEXEQPC-WHOHXGKFSA-N 2 1 210.321 0.249 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3CC3)C[C@H]21 ZINC000384674780 710995804 /nfs/dbraw/zinc/99/58/04/710995804.db2.gz YUGZEXSBEXEQPC-WHOHXGKFSA-N 2 1 210.321 0.249 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCCO)C[C@H]21 ZINC000385162668 711006530 /nfs/dbraw/zinc/00/65/30/711006530.db2.gz NYKPUIHDFKCYSG-GDNZZTSVSA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCCO)C[C@H]21 ZINC000385162668 711006535 /nfs/dbraw/zinc/00/65/35/711006535.db2.gz NYKPUIHDFKCYSG-GDNZZTSVSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000386621984 711034022 /nfs/dbraw/zinc/03/40/22/711034022.db2.gz MOUSBVPWPWHMLF-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000386621984 711034026 /nfs/dbraw/zinc/03/40/26/711034026.db2.gz MOUSBVPWPWHMLF-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000386621984 711034028 /nfs/dbraw/zinc/03/40/28/711034028.db2.gz MOUSBVPWPWHMLF-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000388021319 711050368 /nfs/dbraw/zinc/05/03/68/711050368.db2.gz FKPIDZYGVZBYMH-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000389664470 711085729 /nfs/dbraw/zinc/08/57/29/711085729.db2.gz STKMIYKSQJWWQN-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000390652975 711131193 /nfs/dbraw/zinc/13/11/93/711131193.db2.gz NZDCKQUYNRXBAL-SCVCMEIPSA-N 2 1 225.336 0.311 20 0 BCADMP [NH3+][C@H](CC(=O)NCC[N@@H+]1CC=CCC1)C1CC1 ZINC000392793030 711152623 /nfs/dbraw/zinc/15/26/23/711152623.db2.gz ILIXGTKOEDPJRP-GFCCVEGCSA-N 2 1 237.347 0.492 20 0 BCADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCCO1 ZINC000392901171 711153543 /nfs/dbraw/zinc/15/35/43/711153543.db2.gz QBODZQSBQAMALO-LIBFEPKXSA-N 2 1 222.332 0.751 20 0 BCADMP COC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)OC ZINC000392978478 711154928 /nfs/dbraw/zinc/15/49/28/711154928.db2.gz YPHOOYODKMANFZ-MCDVFOBDSA-N 2 1 240.347 0.234 20 0 BCADMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000394157172 711187442 /nfs/dbraw/zinc/18/74/42/711187442.db2.gz SIDNJFXIBGMPRM-JZRPKSSGSA-N 2 1 249.358 0.099 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000394953740 711200276 /nfs/dbraw/zinc/20/02/76/711200276.db2.gz OOHUSFPHENIBFQ-ONGXEEELSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396570608 711354834 /nfs/dbraw/zinc/35/48/34/711354834.db2.gz LCUZFPABGBVVPJ-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587810 711357298 /nfs/dbraw/zinc/35/72/98/711357298.db2.gz AYOOATVLPUPGEK-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCO ZINC000396586579 711357635 /nfs/dbraw/zinc/35/76/35/711357635.db2.gz RJQOIDWFFHCITO-WDEREUQCSA-N 2 1 200.326 0.879 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396591172 711358084 /nfs/dbraw/zinc/35/80/84/711358084.db2.gz TXPHRIYSGLOJFF-LMLFDSFASA-N 2 1 232.393 0.829 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000396604262 711360091 /nfs/dbraw/zinc/36/00/91/711360091.db2.gz OIMJNYSNROIZNQ-SDDRHHMPSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000396676184 711365304 /nfs/dbraw/zinc/36/53/04/711365304.db2.gz SZWDLEDUMABWNJ-CHWSQXEVSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000396730487 711367410 /nfs/dbraw/zinc/36/74/10/711367410.db2.gz YFYOZBRGOVINIT-QWRGUYRKSA-N 2 1 208.309 0.613 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396730464 711368229 /nfs/dbraw/zinc/36/82/29/711368229.db2.gz YFGUTKOZDKLYOA-GXSJLCMTSA-N 2 1 213.325 0.243 20 0 BCADMP C[C@@H]1C[N@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176063 711404414 /nfs/dbraw/zinc/40/44/14/711404414.db2.gz KACHRZOUCKFAGB-SFYZADRCSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176063 711404415 /nfs/dbraw/zinc/40/44/15/711404415.db2.gz KACHRZOUCKFAGB-SFYZADRCSA-N 2 1 208.252 0.895 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(C(F)F)C2)C1 ZINC000381486244 710644987 /nfs/dbraw/zinc/64/49/87/710644987.db2.gz VKSYSCNOEWHWEX-NWGYLPEXSA-N 2 1 234.290 0.686 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(C(F)F)C2)C1 ZINC000381486244 710644988 /nfs/dbraw/zinc/64/49/88/710644988.db2.gz VKSYSCNOEWHWEX-NWGYLPEXSA-N 2 1 234.290 0.686 20 0 BCADMP Cn1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000389834301 711090618 /nfs/dbraw/zinc/09/06/18/711090618.db2.gz MIVRHBJSFHFWTJ-KOLCDFICSA-N 2 1 223.324 0.422 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000396676188 711363602 /nfs/dbraw/zinc/36/36/02/711363602.db2.gz SZWDLEDUMABWNJ-QWHCGFSZSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000396707765 711366584 /nfs/dbraw/zinc/36/65/84/711366584.db2.gz NWOCVKZXVDQBRR-GMXVVIOVSA-N 2 1 223.364 0.953 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396730469 711368648 /nfs/dbraw/zinc/36/86/48/711368648.db2.gz YFGUTKOZDKLYOA-ONGXEEELSA-N 2 1 213.325 0.243 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000713373504 711488585 /nfs/dbraw/zinc/48/85/85/711488585.db2.gz MJVWZHRDGNGYAN-LBPRGKRZSA-N 2 1 244.379 0.977 20 0 BCADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000723090089 711501616 /nfs/dbraw/zinc/50/16/16/711501616.db2.gz SYZDOQRNZNNZHU-OLZOCXBDSA-N 2 1 225.380 0.870 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000891395802 711511032 /nfs/dbraw/zinc/51/10/32/711511032.db2.gz ZRKRFXGZWZCBSV-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CCOCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895697 711544188 /nfs/dbraw/zinc/54/41/88/711544188.db2.gz ZCBPPKJSGJWZMU-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699876 711534510 /nfs/dbraw/zinc/53/45/10/711534510.db2.gz WGNMLAZSAHEJBT-SNVBAGLBSA-N 2 1 214.309 0.610 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697865 711534640 /nfs/dbraw/zinc/53/46/40/711534640.db2.gz CXVCWMKXJDMZBG-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000723699452 711534750 /nfs/dbraw/zinc/53/47/50/711534750.db2.gz SCXASFZUQLIIEN-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH3+] ZINC000723889975 711544077 /nfs/dbraw/zinc/54/40/77/711544077.db2.gz CGJDOMVELPVKBE-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CC[NH3+] ZINC000723907369 711544718 /nfs/dbraw/zinc/54/47/18/711544718.db2.gz ARHBXMNHMJMXDV-RKDXNWHRSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560878 711590829 /nfs/dbraw/zinc/59/08/29/711590829.db2.gz XMQJQPDCHARBPF-NJMOYASZSA-N 2 1 240.347 0.317 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCOC ZINC000849000998 711591043 /nfs/dbraw/zinc/59/10/43/711591043.db2.gz NKLPGDVMYRWZRC-SNVBAGLBSA-N 2 1 230.356 0.477 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724562562 711592485 /nfs/dbraw/zinc/59/24/85/711592485.db2.gz HJEZSAGBXAEUFO-KVSVUVNWSA-N 2 1 240.347 0.602 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724565587 711593150 /nfs/dbraw/zinc/59/31/50/711593150.db2.gz XWTNMCOKAPULRD-DRZSPHRISA-N 2 1 240.347 0.474 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000382289331 711621044 /nfs/dbraw/zinc/62/10/44/711621044.db2.gz QKVWBBWOKKUGIA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000382289331 711621046 /nfs/dbraw/zinc/62/10/46/711621046.db2.gz QKVWBBWOKKUGIA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724915822 711627485 /nfs/dbraw/zinc/62/74/85/711627485.db2.gz RQDGQKOQJFOJLH-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724916148 711627574 /nfs/dbraw/zinc/62/75/74/711627574.db2.gz SGJPYBOGKSXAER-NSHDSACASA-N 2 1 214.309 0.215 20 0 BCADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724920575 711628615 /nfs/dbraw/zinc/62/86/15/711628615.db2.gz HEPDRBXSTLWMLN-UPJWGTAASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000724995989 711641854 /nfs/dbraw/zinc/64/18/54/711641854.db2.gz XSZCSKLWKMOMGU-UPJWGTAASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000396604264 711702749 /nfs/dbraw/zinc/70/27/49/711702749.db2.gz OIMJNYSNROIZNQ-TUAOUCFPSA-N 2 1 211.353 0.811 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925722790 711726401 /nfs/dbraw/zinc/72/64/01/711726401.db2.gz ZDDLHJGITLJWQA-GMDXDWKASA-N 2 1 249.358 0.193 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000094024786 711736690 /nfs/dbraw/zinc/73/66/90/711736690.db2.gz OALXHMXXVOKUMQ-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CCN1CCC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1=O ZINC000722351250 711743880 /nfs/dbraw/zinc/74/38/80/711743880.db2.gz PYLAWIYJWORCEA-ONGXEEELSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000925788114 711751727 /nfs/dbraw/zinc/75/17/27/711751727.db2.gz YFCQXZDNDOMXAG-VOAKCMCISA-N 2 1 225.380 0.949 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000928564417 711778443 /nfs/dbraw/zinc/77/84/43/711778443.db2.gz UHCPUQQNECTRLT-LLVKDONJSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000160065100 711805659 /nfs/dbraw/zinc/80/56/59/711805659.db2.gz OKSQREZFAICOET-NSHDSACASA-N 2 1 225.336 0.183 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000379714567 711808810 /nfs/dbraw/zinc/80/88/10/711808810.db2.gz QCFDQVPCINLARE-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000379714567 711808812 /nfs/dbraw/zinc/80/88/12/711808812.db2.gz QCFDQVPCINLARE-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H]1C[N@H+](CCCCCC[NH3+])CC(=O)N1 ZINC000386859478 711819632 /nfs/dbraw/zinc/81/96/32/711819632.db2.gz FFIKYNPERVMKOX-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC(=O)N1 ZINC000386859478 711819633 /nfs/dbraw/zinc/81/96/33/711819633.db2.gz FFIKYNPERVMKOX-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735941 711832689 /nfs/dbraw/zinc/83/26/89/711832689.db2.gz ZGFRSMCEMZGGEI-GHMZBOCLSA-N 2 1 218.341 0.299 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000721917942 711919718 /nfs/dbraw/zinc/91/97/18/711919718.db2.gz CRQMCKSFTZFSJW-PHIMTYICSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800016 712005768 /nfs/dbraw/zinc/00/57/68/712005768.db2.gz BSZZQUDCEXNKJN-YIZRAAEISA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800016 712005770 /nfs/dbraw/zinc/00/57/70/712005770.db2.gz BSZZQUDCEXNKJN-YIZRAAEISA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800004 712006156 /nfs/dbraw/zinc/00/61/56/712006156.db2.gz BSZZQUDCEXNKJN-DJLDLDEBSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800004 712006159 /nfs/dbraw/zinc/00/61/59/712006159.db2.gz BSZZQUDCEXNKJN-DJLDLDEBSA-N 2 1 240.269 0.826 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000702243862 712041466 /nfs/dbraw/zinc/04/14/66/712041466.db2.gz XVUVTZMTFHSSPM-LBPRGKRZSA-N 2 1 228.336 0.069 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702268206 712044157 /nfs/dbraw/zinc/04/41/57/712044157.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702268206 712044159 /nfs/dbraw/zinc/04/41/59/712044159.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702268206 712044161 /nfs/dbraw/zinc/04/41/61/712044161.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]c(CO)c3)C[C@]2(C)C1 ZINC000702287591 712045366 /nfs/dbraw/zinc/04/53/66/712045366.db2.gz MWPGXKVMNBXFGF-RISCZKNCSA-N 2 1 247.342 0.962 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047949 /nfs/dbraw/zinc/04/79/49/712047949.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 3 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047950 /nfs/dbraw/zinc/04/79/50/712047950.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 3 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047952 /nfs/dbraw/zinc/04/79/52/712047952.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 3 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047953 /nfs/dbraw/zinc/04/79/53/712047953.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 2 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047954 /nfs/dbraw/zinc/04/79/54/712047954.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 2 1 237.391 0.870 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000702650544 712058758 /nfs/dbraw/zinc/05/87/58/712058758.db2.gz BBVPMSIUBTYZRP-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@H]3CNOC3)CC[N@H+]2C1 ZINC000703308458 712072220 /nfs/dbraw/zinc/07/22/20/712072220.db2.gz CDOYFWYNQUASSM-OUAUKWLOSA-N 2 1 211.309 0.106 20 0 BCADMP [NH3+]C1CC(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000703482392 712076430 /nfs/dbraw/zinc/07/64/30/712076430.db2.gz LBFLFSZIPWAURW-UHFFFAOYSA-N 2 1 223.320 0.030 20 0 BCADMP CCO[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000706542450 712149176 /nfs/dbraw/zinc/14/91/76/712149176.db2.gz LOLNTRFSKRLVHR-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP COC(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709772458 712220881 /nfs/dbraw/zinc/22/08/81/712220881.db2.gz KBROQSWXJTUZAP-UHFFFAOYSA-N 2 1 228.336 0.966 20 0 BCADMP COC[C@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000709537203 712223756 /nfs/dbraw/zinc/22/37/56/712223756.db2.gz QMYOBNLSEVYDTE-FIQHERPVSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000709537203 712223758 /nfs/dbraw/zinc/22/37/58/712223758.db2.gz QMYOBNLSEVYDTE-FIQHERPVSA-N 2 1 230.352 0.441 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2 ZINC000709825396 712228897 /nfs/dbraw/zinc/22/88/97/712228897.db2.gz XNMIWBROHLETTH-TUAOUCFPSA-N 2 1 220.320 0.695 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710927524 712266092 /nfs/dbraw/zinc/26/60/92/712266092.db2.gz KMRXAVLSAPPDLP-XYPYZODXSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874989 712282158 /nfs/dbraw/zinc/28/21/58/712282158.db2.gz QFVUUGYHWIZUQM-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874989 712282161 /nfs/dbraw/zinc/28/21/61/712282161.db2.gz QFVUUGYHWIZUQM-VXGBXAGGSA-N 2 1 244.379 0.534 20 0 BCADMP FC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000711452708 712301310 /nfs/dbraw/zinc/30/13/10/712301310.db2.gz HCCWOYKTGUSNQL-NSHDSACASA-N 2 1 215.316 0.183 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711776075 712327901 /nfs/dbraw/zinc/32/79/01/712327901.db2.gz FCXNTJZAOBYSEI-ZYHUDNBSSA-N 2 1 228.336 0.461 20 0 BCADMP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487806 712334641 /nfs/dbraw/zinc/33/46/41/712334641.db2.gz NVYFLOLFURCTOY-YPMHNXCESA-N 2 1 247.342 0.884 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479770 712334788 /nfs/dbraw/zinc/33/47/88/712334788.db2.gz SOIIPACRTSXBEU-NWDGAFQWSA-N 3 1 239.363 0.036 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480383 712335057 /nfs/dbraw/zinc/33/50/57/712335057.db2.gz XYKQPQRWWVABFH-UWVGGRQHSA-N 2 1 218.366 0.381 20 0 BCADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000378712715 712358880 /nfs/dbraw/zinc/35/88/80/712358880.db2.gz VHTPDCKPONXMHC-QEHJDLSMSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000379712536 712392412 /nfs/dbraw/zinc/39/24/12/712392412.db2.gz SKSVYVNTSUJTGU-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP COC[C@H](C[N@H+]1CC[NH2+]CCC1(C)C)OC ZINC000712586633 712434500 /nfs/dbraw/zinc/43/45/00/712434500.db2.gz BPUIBJRXJQNVGB-NSHDSACASA-N 2 1 230.352 0.722 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712621232 712438669 /nfs/dbraw/zinc/43/86/69/712438669.db2.gz HCJDJSUGVVPXOY-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668250 712439872 /nfs/dbraw/zinc/43/98/72/712439872.db2.gz HTXNKTBAWQUHBW-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667909 712439937 /nfs/dbraw/zinc/43/99/37/712439937.db2.gz DGMAZJONMBCECV-JTQLQIEISA-N 2 1 227.352 0.666 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713227365 712455713 /nfs/dbraw/zinc/45/57/13/712455713.db2.gz WHERROYHSMIWCR-BLFANLJRSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N(C)C ZINC000036794206 712496506 /nfs/dbraw/zinc/49/65/06/712496506.db2.gz GGCPRNHWHZKKPG-WAAKLRNESA-N 2 1 239.363 0.678 20 0 BCADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC000036794206 712496508 /nfs/dbraw/zinc/49/65/08/712496508.db2.gz GGCPRNHWHZKKPG-WAAKLRNESA-N 2 1 239.363 0.678 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715124868 712510964 /nfs/dbraw/zinc/51/09/64/712510964.db2.gz SEPUZIDVGRGBDW-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000716034164 712547111 /nfs/dbraw/zinc/54/71/11/712547111.db2.gz OTSFULSFHBHAGY-QWRGUYRKSA-N 2 1 228.336 0.870 20 0 BCADMP C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+](C)C1CC1 ZINC000221246926 712658803 /nfs/dbraw/zinc/65/88/03/712658803.db2.gz MQIBCTPKVVSINV-MRVPVSSYSA-N 2 1 210.325 0.745 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000925495403 712698622 /nfs/dbraw/zinc/69/86/22/712698622.db2.gz NBTPVSCYAGJTQZ-CMPLNLGQSA-N 2 1 223.364 0.953 20 0 BCADMP CCC[N@@H+](C[C@H](C)O)C1CC[NH2+]CC1 ZINC000037688246 712738967 /nfs/dbraw/zinc/73/89/67/712738967.db2.gz QXOPBOFXLRRCOU-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]([NH2+]C1CC(CC(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000718499713 712767071 /nfs/dbraw/zinc/76/70/71/712767071.db2.gz UTFJHEFSCFBANP-WNYYMSAVSA-N 2 1 239.363 0.761 20 0 BCADMP C[C@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000718499714 712767331 /nfs/dbraw/zinc/76/73/31/712767331.db2.gz UTFJHEFSCFBANP-XKGSQUFQSA-N 2 1 239.363 0.761 20 0 BCADMP C[C@H]([NH2+]C1CC(CC(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000718554697 712769292 /nfs/dbraw/zinc/76/92/92/712769292.db2.gz VENZTVFGJYVWNG-IDWGSYCQSA-N 2 1 225.336 0.371 20 0 BCADMP O=C1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000719255271 712801813 /nfs/dbraw/zinc/80/18/13/712801813.db2.gz SCJFRIBGWDSDEW-YOGCLGLASA-N 2 1 237.347 0.339 20 0 BCADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719364737 712805882 /nfs/dbraw/zinc/80/58/82/712805882.db2.gz GSOXXUXUIXEJAH-BDAKNGLRSA-N 2 1 221.308 0.872 20 0 BCADMP C[C@H]1[C@@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000719477865 712808489 /nfs/dbraw/zinc/80/84/89/712808489.db2.gz YEHIJRDAXVDQPU-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000719610848 712816567 /nfs/dbraw/zinc/81/65/67/712816567.db2.gz CMTBAYFUEKZNHA-ZYHUDNBSSA-N 2 1 211.353 0.763 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720576839 712853146 /nfs/dbraw/zinc/85/31/46/712853146.db2.gz GUJNEJCGYQDASQ-NSHDSACASA-N 2 1 220.320 0.874 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720576839 712853148 /nfs/dbraw/zinc/85/31/48/712853148.db2.gz GUJNEJCGYQDASQ-NSHDSACASA-N 2 1 220.320 0.874 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720888198 712874591 /nfs/dbraw/zinc/87/45/91/712874591.db2.gz MHRJRNGKPGXDPE-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCOCC[NH3+] ZINC000720890336 712875419 /nfs/dbraw/zinc/87/54/19/712875419.db2.gz LRGLTITZKCHIPW-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCOCC[NH3+] ZINC000720890336 712875421 /nfs/dbraw/zinc/87/54/21/712875421.db2.gz LRGLTITZKCHIPW-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCOCC[NH3+] ZINC000720890336 712875423 /nfs/dbraw/zinc/87/54/23/712875423.db2.gz LRGLTITZKCHIPW-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCC[NH3+] ZINC000720901651 712875781 /nfs/dbraw/zinc/87/57/81/712875781.db2.gz SVDGVQIWFIMOCU-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720896764 712876764 /nfs/dbraw/zinc/87/67/64/712876764.db2.gz DNYZAMFRMPHSFK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000720904158 712877061 /nfs/dbraw/zinc/87/70/61/712877061.db2.gz YZZQTVNSDLHGOC-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720904917 712877123 /nfs/dbraw/zinc/87/71/23/712877123.db2.gz XSTFVFIQPBRWPL-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907454 712877259 /nfs/dbraw/zinc/87/72/59/712877259.db2.gz OYVWUNCLFJCTCI-GHMZBOCLSA-N 2 1 237.347 0.563 20 0 BCADMP CC(=O)N1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039769 712887940 /nfs/dbraw/zinc/88/79/40/712887940.db2.gz KOOUSJLNQMNREH-YPMHNXCESA-N 2 1 239.363 0.396 20 0 BCADMP CC(=O)N1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039769 712887942 /nfs/dbraw/zinc/88/79/42/712887942.db2.gz KOOUSJLNQMNREH-YPMHNXCESA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CCO[C@@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001164669115 719381326 /nfs/dbraw/zinc/38/13/26/719381326.db2.gz PYKZUBNJKOSOHG-NXEZZACHSA-N 2 1 234.303 0.183 20 0 BCADMP Cc1c[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1N ZINC001164666006 719427549 /nfs/dbraw/zinc/42/75/49/719427549.db2.gz AJRCKJKSBKUSMP-NWDGAFQWSA-N 2 1 248.330 0.491 20 0 BCADMP Cc1c[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1N ZINC001164666002 719427649 /nfs/dbraw/zinc/42/76/49/719427649.db2.gz AJRCKJKSBKUSMP-NEPJUHHUSA-N 2 1 248.330 0.491 20 0 BCADMP CC[NH2+]CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000418332073 192025551 /nfs/dbraw/zinc/02/55/51/192025551.db2.gz YKPQDXOWTGUYTR-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@@H+](C)C1CC1 ZINC000649319614 398142818 /nfs/dbraw/zinc/14/28/18/398142818.db2.gz JZJDQIZCGLJUJY-SPFNVWMYSA-N 2 1 237.347 0.336 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000649322814 398144645 /nfs/dbraw/zinc/14/46/45/398144645.db2.gz NXJHRDLCKMTRTP-TUAOUCFPSA-N 2 1 237.347 0.324 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000335035993 136214854 /nfs/dbraw/zinc/21/48/54/136214854.db2.gz GNJTUMVDNWXLBN-QWRGUYRKSA-N 2 1 227.352 0.380 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902389 349496099 /nfs/dbraw/zinc/49/60/99/349496099.db2.gz UHBNREILEZWOTA-YPMHNXCESA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@H+]1C ZINC000649333368 398149752 /nfs/dbraw/zinc/14/97/52/398149752.db2.gz PHKGJGFXJPZLFN-KQSJRHEJSA-N 2 1 237.347 0.336 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000422941654 398159870 /nfs/dbraw/zinc/15/98/70/398159870.db2.gz VGONUYSHYKTRDK-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423020355 398162571 /nfs/dbraw/zinc/16/25/71/398162571.db2.gz BBPWGTOLLKOWKM-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000576230841 365531555 /nfs/dbraw/zinc/53/15/55/365531555.db2.gz PUYBNMRNVPZTRZ-RKDXNWHRSA-N 2 1 249.305 0.427 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCO1 ZINC000336748195 398198052 /nfs/dbraw/zinc/19/80/52/398198052.db2.gz SKWXIMWIJBBKMK-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000336748195 398198054 /nfs/dbraw/zinc/19/80/54/398198054.db2.gz SKWXIMWIJBBKMK-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270926 365543564 /nfs/dbraw/zinc/54/35/64/365543564.db2.gz LZQFZYBXACKWIQ-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270929 365544035 /nfs/dbraw/zinc/54/40/35/365544035.db2.gz LZQFZYBXACKWIQ-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446391555 398204360 /nfs/dbraw/zinc/20/43/60/398204360.db2.gz AGLLMHYGVAPDAD-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CN(C[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000649412603 398215207 /nfs/dbraw/zinc/21/52/07/398215207.db2.gz WWIDQCBKOCXMSE-WCQYABFASA-N 2 1 223.364 0.764 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000576361080 365577964 /nfs/dbraw/zinc/57/79/64/365577964.db2.gz MMLJVUSBFHDLNO-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000381020964 398219427 /nfs/dbraw/zinc/21/94/27/398219427.db2.gz WGJXMSHOSUCHFF-ZYHUDNBSSA-N 2 1 244.404 0.784 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000381020964 398219428 /nfs/dbraw/zinc/21/94/28/398219428.db2.gz WGJXMSHOSUCHFF-ZYHUDNBSSA-N 2 1 244.404 0.784 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000576412502 365590953 /nfs/dbraw/zinc/59/09/53/365590953.db2.gz NFSVNWPGNMVWFJ-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN1CCCC1=O ZINC000430564858 398227696 /nfs/dbraw/zinc/22/76/96/398227696.db2.gz CWSIHZPGTXAPKX-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@](C[NH3+])([NH2+]CCN1CCOCC1)C1CC1 ZINC000430558303 398227743 /nfs/dbraw/zinc/22/77/43/398227743.db2.gz PVDBSOFPFCOXOW-GFCCVEGCSA-N 2 1 227.352 0.036 20 0 BCADMP Cn1cc(CC[NH2+][C@](C)(C[NH3+])C2CC2)cn1 ZINC000430568129 398229193 /nfs/dbraw/zinc/22/91/93/398229193.db2.gz FLHOULOHHKFCEW-GFCCVEGCSA-N 2 1 222.336 0.680 20 0 BCADMP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[NH+](C)C ZINC000561365193 323000421 /nfs/dbraw/zinc/00/04/21/323000421.db2.gz FACJZDWVOFAJQL-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[NH+](C)C ZINC000561365193 323000422 /nfs/dbraw/zinc/00/04/22/323000422.db2.gz FACJZDWVOFAJQL-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430759005 398230786 /nfs/dbraw/zinc/23/07/86/398230786.db2.gz FAWGICLFOIDAFB-OUAUKWLOSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430759973 398231115 /nfs/dbraw/zinc/23/11/15/398231115.db2.gz HTTZKBDUMIKJRV-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430758998 398231158 /nfs/dbraw/zinc/23/11/58/398231158.db2.gz FAWGICLFOIDAFB-GMTAPVOTSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H](CNC(=O)CC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430764792 398231191 /nfs/dbraw/zinc/23/11/91/398231191.db2.gz TWULJYSJZVTCOI-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334317554 136225471 /nfs/dbraw/zinc/22/54/71/136225471.db2.gz QPIRVTMACBGXHE-QWRGUYRKSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCC1 ZINC000629943937 361789592 /nfs/dbraw/zinc/78/95/92/361789592.db2.gz DMVHEYRDRFEKKR-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629946909 361794149 /nfs/dbraw/zinc/79/41/49/361794149.db2.gz DPVQFBNSXCMLHO-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+](C)CC1 ZINC000418443166 192036742 /nfs/dbraw/zinc/03/67/42/192036742.db2.gz NOFDUJVHXNTOPZ-LLVKDONJSA-N 2 1 242.367 0.317 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336775868 398240969 /nfs/dbraw/zinc/24/09/69/398240969.db2.gz CXPAYNHIQSOUDJ-CMPLNLGQSA-N 2 1 222.336 0.731 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000576584224 365630059 /nfs/dbraw/zinc/63/00/59/365630059.db2.gz BLXHHCUEEQBILB-ZDUSSCGKSA-N 2 1 235.331 0.846 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417630152 398245614 /nfs/dbraw/zinc/24/56/14/398245614.db2.gz TUWJWXGNYACUDI-JTQLQIEISA-N 2 1 242.367 0.235 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253716 136229386 /nfs/dbraw/zinc/22/93/86/136229386.db2.gz IREGBRLDBKFTQG-PHIMTYICSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@](C[NH3+])([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000381404429 398255980 /nfs/dbraw/zinc/25/59/80/398255980.db2.gz QWYMYQVPGKQLHA-GFCCVEGCSA-N 3 1 211.353 0.703 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990835 488178442 /nfs/dbraw/zinc/17/84/42/488178442.db2.gz YOZZOPIXQGNBKS-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990835 488178445 /nfs/dbraw/zinc/17/84/45/488178445.db2.gz YOZZOPIXQGNBKS-AGIUHOORSA-N 2 1 240.347 0.210 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000035140069 538956233 /nfs/dbraw/zinc/95/62/33/538956233.db2.gz DQALMMLXKUEKCS-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000335388721 136235006 /nfs/dbraw/zinc/23/50/06/136235006.db2.gz KJZGAAWFPDHKSM-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000040503540 344001127 /nfs/dbraw/zinc/00/11/27/344001127.db2.gz AYRGNSTVFUUNST-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000165436327 361839999 /nfs/dbraw/zinc/83/99/99/361839999.db2.gz KEDFNDNBRSLJEN-DTWKUNHWSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(C)CC1 ZINC000167428649 361866356 /nfs/dbraw/zinc/86/63/56/361866356.db2.gz VUGLBZSEMZHWBO-ZJUUUORDSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037826023 342785654 /nfs/dbraw/zinc/78/56/54/342785654.db2.gz WNMUBDYMJYDTSO-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1CN(C(=O)NCCCC[NH3+])C[C@H](C)[N@@H+]1C ZINC000418517070 192045981 /nfs/dbraw/zinc/04/59/81/192045981.db2.gz CZSHQBAAPJKHJK-PHIMTYICSA-N 2 1 242.367 0.459 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417822695 398294472 /nfs/dbraw/zinc/29/44/72/398294472.db2.gz XFVLYUYMXHELKM-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)CO ZINC000390499293 539022742 /nfs/dbraw/zinc/02/27/42/539022742.db2.gz SOAXQBROSSFJER-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)CO ZINC000390499293 539022743 /nfs/dbraw/zinc/02/27/43/539022743.db2.gz SOAXQBROSSFJER-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C(C)(C)CO)C1CC1 ZINC000390499293 539022744 /nfs/dbraw/zinc/02/27/44/539022744.db2.gz SOAXQBROSSFJER-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C(C)(C)CO)C1CC1 ZINC000390499293 539022745 /nfs/dbraw/zinc/02/27/45/539022745.db2.gz SOAXQBROSSFJER-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390518701 539026140 /nfs/dbraw/zinc/02/61/40/539026140.db2.gz DQYSRXAIRJNNAM-GHMZBOCLSA-N 2 1 220.320 0.678 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167193489 136244230 /nfs/dbraw/zinc/24/42/30/136244230.db2.gz UDKFKCSUWBDQCZ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](CNC(=O)C[NH2+]CC1CC1)[N@@H+](C)C1CC1 ZINC000167339826 136245437 /nfs/dbraw/zinc/24/54/37/136245437.db2.gz ALRLVBSBMRAOPZ-SNVBAGLBSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167341329 136245823 /nfs/dbraw/zinc/24/58/23/136245823.db2.gz NGCNSHGCDDZUGY-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474770 136246269 /nfs/dbraw/zinc/24/62/69/136246269.db2.gz GRZDOUNXLITWFK-JHEVNIALSA-N 2 1 249.358 0.419 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000037694122 342941294 /nfs/dbraw/zinc/94/12/94/342941294.db2.gz FBQIYDGUTKPCPU-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136313578 398342171 /nfs/dbraw/zinc/34/21/71/398342171.db2.gz LVKZJABCVPLGSW-NSHDSACASA-N 2 1 238.335 0.777 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136313578 398342172 /nfs/dbraw/zinc/34/21/72/398342172.db2.gz LVKZJABCVPLGSW-NSHDSACASA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351811194 136254442 /nfs/dbraw/zinc/25/44/42/136254442.db2.gz BBGBCPATYXHTHY-ZYHUDNBSSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351811194 136254443 /nfs/dbraw/zinc/25/44/43/136254443.db2.gz BBGBCPATYXHTHY-ZYHUDNBSSA-N 2 1 223.320 0.894 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000334141425 187205571 /nfs/dbraw/zinc/20/55/71/187205571.db2.gz GYXQZMFEENGDND-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000334141425 187205572 /nfs/dbraw/zinc/20/55/72/187205572.db2.gz GYXQZMFEENGDND-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000019687730 187206207 /nfs/dbraw/zinc/20/62/07/187206207.db2.gz CBOGWHJZRVWRJA-LBPRGKRZSA-N 2 1 241.379 0.912 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351811192 136254857 /nfs/dbraw/zinc/25/48/57/136254857.db2.gz BBGBCPATYXHTHY-JQWIXIFHSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351811192 136254858 /nfs/dbraw/zinc/25/48/58/136254858.db2.gz BBGBCPATYXHTHY-JQWIXIFHSA-N 2 1 223.320 0.894 20 0 BCADMP CON1CCC([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000566914862 323025526 /nfs/dbraw/zinc/02/55/26/323025526.db2.gz BMSSNXFBXVZHFL-ZDUSSCGKSA-N 2 1 241.379 0.944 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353186205 187208288 /nfs/dbraw/zinc/20/82/88/187208288.db2.gz QJVWSSFZILVPQR-USWWRNFRSA-N 2 1 239.363 0.569 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000418619916 192057213 /nfs/dbraw/zinc/05/72/13/192057213.db2.gz PSTCKMDHBNJSGR-QWRGUYRKSA-N 2 1 242.367 0.315 20 0 BCADMP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000418620182 192057132 /nfs/dbraw/zinc/05/71/32/192057132.db2.gz PSTCKMDHBNJSGR-WDEREUQCSA-N 2 1 242.367 0.315 20 0 BCADMP CC(C)C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000037887206 342992197 /nfs/dbraw/zinc/99/21/97/342992197.db2.gz CZYMHFHLJDNFLP-QWRGUYRKSA-N 2 1 202.342 0.933 20 0 BCADMP COC(=O)CN(CCc1c[nH+]cn1C)C1CC1 ZINC000602780472 349746315 /nfs/dbraw/zinc/74/63/15/349746315.db2.gz QFXKEOWRLPPMCH-UHFFFAOYSA-N 2 1 237.303 0.600 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000360134436 187216820 /nfs/dbraw/zinc/21/68/20/187216820.db2.gz GIUUBWWSJPCMIN-NSHDSACASA-N 2 1 244.383 0.576 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044808426 343008173 /nfs/dbraw/zinc/00/81/73/343008173.db2.gz NRELEFTYOFIPFP-VHSXEESVSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@H](O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000576823097 365694091 /nfs/dbraw/zinc/69/40/91/365694091.db2.gz NNVYWJDSEFXOBT-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C(F)(F)F ZINC000235791439 343059750 /nfs/dbraw/zinc/05/97/50/343059750.db2.gz IYWICQANIUMWDD-MRVPVSSYSA-N 2 1 237.225 0.704 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181470090 259346484 /nfs/dbraw/zinc/34/64/84/259346484.db2.gz FEESBNFNPSEQTP-VHSXEESVSA-N 2 1 241.335 0.509 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181470090 259346486 /nfs/dbraw/zinc/34/64/86/259346486.db2.gz FEESBNFNPSEQTP-VHSXEESVSA-N 2 1 241.335 0.509 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000175100613 362026185 /nfs/dbraw/zinc/02/61/85/362026185.db2.gz AAODAFGBWNIPJZ-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1CCCO ZINC000336655860 187231268 /nfs/dbraw/zinc/23/12/68/187231268.db2.gz ACGBEFVLMULKDP-JTQLQIEISA-N 2 1 200.326 0.961 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH2+]1 ZINC000394283655 259349044 /nfs/dbraw/zinc/34/90/44/259349044.db2.gz INZDDSNPOSBNJH-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236648255 343105628 /nfs/dbraw/zinc/10/56/28/343105628.db2.gz CXPGLCHGYVRDFQ-WDEREUQCSA-N 2 1 227.352 0.665 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000236825690 343112694 /nfs/dbraw/zinc/11/26/94/343112694.db2.gz SQBREOLLYZFMQR-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778927 343125753 /nfs/dbraw/zinc/12/57/53/343125753.db2.gz IMKVQKUGBBHIJA-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070026293 343130011 /nfs/dbraw/zinc/13/00/11/343130011.db2.gz DOGVBFXHVIVBEO-NXEZZACHSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070026293 343130012 /nfs/dbraw/zinc/13/00/12/343130012.db2.gz DOGVBFXHVIVBEO-NXEZZACHSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000092954976 343149819 /nfs/dbraw/zinc/14/98/19/343149819.db2.gz XIYADQBBJUTHQC-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000576943720 365727923 /nfs/dbraw/zinc/72/79/23/365727923.db2.gz TUGMZOLZSAYWAK-LBPRGKRZSA-N 3 1 227.352 0.037 20 0 BCADMP [NH3+]CCOCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000576943720 365727929 /nfs/dbraw/zinc/72/79/29/365727929.db2.gz TUGMZOLZSAYWAK-LBPRGKRZSA-N 2 1 227.352 0.037 20 0 BCADMP C[NH2+]CCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000576942039 365728090 /nfs/dbraw/zinc/72/80/90/365728090.db2.gz SANRUEYVSMGWHT-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C1=CC[N@H+](CCNC2=[NH+]CCCN2)CC1 ZINC000358876155 187243351 /nfs/dbraw/zinc/24/33/51/187243351.db2.gz BZEQEFHTUFWIOT-UHFFFAOYSA-N 2 1 208.309 0.187 20 0 BCADMP C1=CC[N@@H+](CCNC2=[NH+]CCCN2)CC1 ZINC000358876155 187243353 /nfs/dbraw/zinc/24/33/53/187243353.db2.gz BZEQEFHTUFWIOT-UHFFFAOYSA-N 2 1 208.309 0.187 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000157890697 343200403 /nfs/dbraw/zinc/20/04/03/343200403.db2.gz ZZSZCJGJSKXNMZ-WZRBSPASSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000157885730 343200449 /nfs/dbraw/zinc/20/04/49/343200449.db2.gz JVQOTCXKYGWXKD-MWLCHTKSSA-N 2 1 225.336 0.337 20 0 BCADMP COCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165656897 343211852 /nfs/dbraw/zinc/21/18/52/343211852.db2.gz UEOAXNMRIIPWIM-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP COCCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165656897 343211854 /nfs/dbraw/zinc/21/18/54/343211854.db2.gz UEOAXNMRIIPWIM-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091220 136284465 /nfs/dbraw/zinc/28/44/65/136284465.db2.gz ZCHJCGYUQQDBTN-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000082777044 136277225 /nfs/dbraw/zinc/27/72/25/136277225.db2.gz HWSJBFKWBYQSAF-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP Cn1nccc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000634687998 343245249 /nfs/dbraw/zinc/24/52/49/343245249.db2.gz FDCVPKBGOYSOII-NSHDSACASA-N 2 1 224.352 0.926 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000634687981 343245304 /nfs/dbraw/zinc/24/53/04/343245304.db2.gz FAFMVBQHLRDRBQ-DGCLKSJQSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000634687981 343245306 /nfs/dbraw/zinc/24/53/06/343245306.db2.gz FAFMVBQHLRDRBQ-DGCLKSJQSA-N 2 1 234.347 0.776 20 0 BCADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688112 343247603 /nfs/dbraw/zinc/24/76/03/343247603.db2.gz IMENBQSFIUQHSQ-TUAOUCFPSA-N 2 1 238.331 0.086 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000069838932 343292307 /nfs/dbraw/zinc/29/23/07/343292307.db2.gz IHDZBJGQRRAFNC-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CCn1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000401808567 343376325 /nfs/dbraw/zinc/37/63/25/343376325.db2.gz ROQWTRQSIRWEBF-UHFFFAOYSA-N 2 1 233.319 0.969 20 0 BCADMP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+](C)C1CC1 ZINC000398164726 488213299 /nfs/dbraw/zinc/21/32/99/488213299.db2.gz LYGZOWLPTLUIDD-VIFPVBQESA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639387 136303464 /nfs/dbraw/zinc/30/34/64/136303464.db2.gz UGPMGKAXPUJJEO-PWSUYJOCSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000166221172 136310525 /nfs/dbraw/zinc/31/05/25/136310525.db2.gz BZAVZJXTDFQYTK-QWRGUYRKSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000166234724 136315979 /nfs/dbraw/zinc/31/59/79/136315979.db2.gz QKHDOPJEKSNHDZ-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000166234724 136315980 /nfs/dbraw/zinc/31/59/80/136315980.db2.gz QKHDOPJEKSNHDZ-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000166234845 136316118 /nfs/dbraw/zinc/31/61/18/136316118.db2.gz QKHDOPJEKSNHDZ-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000166234845 136316119 /nfs/dbraw/zinc/31/61/19/136316119.db2.gz QKHDOPJEKSNHDZ-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166236219 136316464 /nfs/dbraw/zinc/31/64/64/136316464.db2.gz FQPCSAFEWYSKEE-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166236219 136316465 /nfs/dbraw/zinc/31/64/65/136316465.db2.gz FQPCSAFEWYSKEE-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000349080347 136322508 /nfs/dbraw/zinc/32/25/08/136322508.db2.gz KRBZOHQCUVJXLK-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876633 349807154 /nfs/dbraw/zinc/80/71/54/349807154.db2.gz HPUVGUGUJXHHRG-NSHDSACASA-N 2 1 240.347 0.966 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000082419865 343440647 /nfs/dbraw/zinc/44/06/47/343440647.db2.gz VRLADSUTZSUZFZ-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000310338976 343440800 /nfs/dbraw/zinc/44/08/00/343440800.db2.gz DJLYJRFMNLOQCZ-VXGBXAGGSA-N 2 1 246.395 0.950 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000310338976 343440801 /nfs/dbraw/zinc/44/08/01/343440801.db2.gz DJLYJRFMNLOQCZ-VXGBXAGGSA-N 2 1 246.395 0.950 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000166638937 136362281 /nfs/dbraw/zinc/36/22/81/136362281.db2.gz IMSATVQOGWFACK-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261542411 136374365 /nfs/dbraw/zinc/37/43/65/136374365.db2.gz CBGBHYJFDANKJN-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000262671774 136374646 /nfs/dbraw/zinc/37/46/46/136374646.db2.gz OVEVWMPZLNNPSB-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000310449364 343497958 /nfs/dbraw/zinc/49/79/58/343497958.db2.gz ZSTRXLCOOPAZMO-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP CN(C)c1nc(NCC[NH+](C)C)cc[nH+]1 ZINC000082924219 343471010 /nfs/dbraw/zinc/47/10/10/343471010.db2.gz HHGOMZOIRLZUQR-UHFFFAOYSA-N 2 1 209.297 0.516 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000379948360 365760003 /nfs/dbraw/zinc/76/00/03/365760003.db2.gz ZNASVEZLQJZGTG-VXGBXAGGSA-N 2 1 246.395 0.686 20 0 BCADMP CC[N@@H+](CC(=O)N(C)CC1C[NH+](C)C1)C1CC1 ZINC000618192565 343583640 /nfs/dbraw/zinc/58/36/40/343583640.db2.gz RTZNUGLNBWQPKA-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000618193846 343603354 /nfs/dbraw/zinc/60/33/54/343603354.db2.gz GPNXUJYHSTXJHD-NSHDSACASA-N 2 1 225.336 0.101 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000518770426 259366184 /nfs/dbraw/zinc/36/61/84/259366184.db2.gz SUWLGPXICROMGP-CWBMUHOVSA-N 2 1 242.363 0.358 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000518770426 259366185 /nfs/dbraw/zinc/36/61/85/259366185.db2.gz SUWLGPXICROMGP-CWBMUHOVSA-N 2 1 242.363 0.358 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000086068755 343609348 /nfs/dbraw/zinc/60/93/48/343609348.db2.gz FAIMKOJLFRWBJI-JTQLQIEISA-N 2 1 215.341 0.298 20 0 BCADMP CC(C)[C@@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165623 362248641 /nfs/dbraw/zinc/24/86/41/362248641.db2.gz HIURRGFQGHUWRX-LLVKDONJSA-N 2 1 246.318 0.959 20 0 BCADMP C[C@H]1C[C@H](NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000624335556 343717702 /nfs/dbraw/zinc/71/77/02/343717702.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000154669946 343746103 /nfs/dbraw/zinc/74/61/03/343746103.db2.gz GWYJYIILNQPAMY-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000621703830 343756501 /nfs/dbraw/zinc/75/65/01/343756501.db2.gz RVNUGUCCNRHIPE-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@@H+](CCC[NH3+])CCNC(=O)OC(C)(C)C ZINC000496922300 529886114 /nfs/dbraw/zinc/88/61/14/529886114.db2.gz RTWMYYCHPZIFKG-UHFFFAOYSA-N 2 1 231.340 0.792 20 0 BCADMP CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000313115361 343884436 /nfs/dbraw/zinc/88/44/36/343884436.db2.gz PRVOQQKMOLFPLU-AGIUHOORSA-N 2 1 244.379 0.581 20 0 BCADMP CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000313115361 343884441 /nfs/dbraw/zinc/88/44/41/343884441.db2.gz PRVOQQKMOLFPLU-AGIUHOORSA-N 2 1 244.379 0.581 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000594869859 537826258 /nfs/dbraw/zinc/82/62/58/537826258.db2.gz ARCMPHYGUZWYND-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000594869859 537826270 /nfs/dbraw/zinc/82/62/70/537826270.db2.gz ARCMPHYGUZWYND-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000594869859 537826277 /nfs/dbraw/zinc/82/62/77/537826277.db2.gz ARCMPHYGUZWYND-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H](O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381053821 343913669 /nfs/dbraw/zinc/91/36/69/343913669.db2.gz IQYMQJCUQQFPKL-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381053821 343913671 /nfs/dbraw/zinc/91/36/71/343913671.db2.gz IQYMQJCUQQFPKL-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@@H+](C)C1CCC1 ZINC000381100273 343973683 /nfs/dbraw/zinc/97/36/83/343973683.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123829221 187356153 /nfs/dbraw/zinc/35/61/53/187356153.db2.gz HZIGRUMUGIONRQ-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705111 537836839 /nfs/dbraw/zinc/83/68/39/537836839.db2.gz SVKKFSHAKHBAEA-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705111 537836863 /nfs/dbraw/zinc/83/68/63/537836863.db2.gz SVKKFSHAKHBAEA-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705111 537836868 /nfs/dbraw/zinc/83/68/68/537836868.db2.gz SVKKFSHAKHBAEA-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732341 344106859 /nfs/dbraw/zinc/10/68/59/344106859.db2.gz DHGIXEWKTCGHQQ-JTQLQIEISA-N 2 1 237.351 0.683 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CC)C1 ZINC000130575655 344148992 /nfs/dbraw/zinc/14/89/92/344148992.db2.gz LXDIVPNLXRVOGA-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000130604603 344150525 /nfs/dbraw/zinc/15/05/25/344150525.db2.gz MFJJBKSXMMPTFK-WCABBAIRSA-N 2 1 225.336 0.465 20 0 BCADMP COC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475022 344155690 /nfs/dbraw/zinc/15/56/90/344155690.db2.gz JROZEBMGFYUWAD-QMMMGPOBSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894153 344216093 /nfs/dbraw/zinc/21/60/93/344216093.db2.gz LRIXFAKSUCRVMN-WFFHOREQSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894153 344216097 /nfs/dbraw/zinc/21/60/97/344216097.db2.gz LRIXFAKSUCRVMN-WFFHOREQSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894153 344216099 /nfs/dbraw/zinc/21/60/99/344216099.db2.gz LRIXFAKSUCRVMN-WFFHOREQSA-N 2 1 242.363 0.597 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236648210 187289547 /nfs/dbraw/zinc/28/95/47/187289547.db2.gz CQHPHGJFAOPGQF-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000133320271 344317498 /nfs/dbraw/zinc/31/74/98/344317498.db2.gz XDBPZFYEIASWHE-ZJUUUORDSA-N 2 1 202.342 0.933 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600712352 344361630 /nfs/dbraw/zinc/36/16/30/344361630.db2.gz XFQAKVJPZHCPOU-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)[C@@H]1C ZINC000093178709 344310104 /nfs/dbraw/zinc/31/01/04/344310104.db2.gz LBMSABPWOQZGLO-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368305 347050469 /nfs/dbraw/zinc/05/04/69/347050469.db2.gz WNTZNJBPIKXUJE-LBPRGKRZSA-N 2 1 211.353 0.718 20 0 BCADMP Cc1c[nH]c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC000628291869 347052101 /nfs/dbraw/zinc/05/21/01/347052101.db2.gz YDELSNOARHYGCG-WDEREUQCSA-N 2 1 220.320 0.854 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000336765160 537847188 /nfs/dbraw/zinc/84/71/88/537847188.db2.gz NYFASWGCKRRWCM-AVGNSLFASA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000336765160 537847194 /nfs/dbraw/zinc/84/71/94/537847194.db2.gz NYFASWGCKRRWCM-AVGNSLFASA-N 2 1 224.348 0.831 20 0 BCADMP O=C(C[NH2+]CC1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812665 344591718 /nfs/dbraw/zinc/59/17/18/344591718.db2.gz SAPWXHXLXSFANE-GFCCVEGCSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966913 344578932 /nfs/dbraw/zinc/57/89/32/344578932.db2.gz AHBBVKDOHBXBGF-YNEHKIRRSA-N 2 1 241.379 0.376 20 0 BCADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000168835509 537848656 /nfs/dbraw/zinc/84/86/56/537848656.db2.gz JDWOZFITACMYCV-VXGBXAGGSA-N 2 1 224.348 0.975 20 0 BCADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(C)c1 ZINC000049553535 344653292 /nfs/dbraw/zinc/65/32/92/344653292.db2.gz KFWFDUCWIHRRSX-JTQLQIEISA-N 2 1 210.325 0.850 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158735012 344734699 /nfs/dbraw/zinc/73/46/99/344734699.db2.gz ISHDFRFEYUIJPW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158735012 344734702 /nfs/dbraw/zinc/73/47/02/344734702.db2.gz ISHDFRFEYUIJPW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158735012 344734704 /nfs/dbraw/zinc/73/47/04/344734704.db2.gz ISHDFRFEYUIJPW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158735012 344734706 /nfs/dbraw/zinc/73/47/06/344734706.db2.gz ISHDFRFEYUIJPW-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464910 347069052 /nfs/dbraw/zinc/06/90/52/347069052.db2.gz PTDCCCMWGCWDMM-ZYHUDNBSSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3COC[C@H]3O)CC[C@H]21 ZINC000463105579 530059207 /nfs/dbraw/zinc/05/92/07/530059207.db2.gz HCJCTDSGZZUSMI-FVCCEPFGSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3COC[C@H]3O)CC[C@H]21 ZINC000463105579 530059208 /nfs/dbraw/zinc/05/92/08/530059208.db2.gz HCJCTDSGZZUSMI-FVCCEPFGSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3COC[C@H]3O)CC[C@H]21 ZINC000463105579 530059209 /nfs/dbraw/zinc/05/92/09/530059209.db2.gz HCJCTDSGZZUSMI-FVCCEPFGSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000582127377 344898089 /nfs/dbraw/zinc/89/80/89/344898089.db2.gz SZSFOLLGMNJICO-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000386623767 344961996 /nfs/dbraw/zinc/96/19/96/344961996.db2.gz YPQLMEGKRWJLMD-NXEZZACHSA-N 2 1 227.352 0.618 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000153738787 344962916 /nfs/dbraw/zinc/96/29/16/344962916.db2.gz GHEGNJIMUAOFSF-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226742837 187297274 /nfs/dbraw/zinc/29/72/74/187297274.db2.gz OWPROAMLTAFOCU-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389315 187297428 /nfs/dbraw/zinc/29/74/28/187297428.db2.gz BJYHQMLESOQFGK-JTQLQIEISA-N 2 1 245.392 0.135 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000583448480 344997208 /nfs/dbraw/zinc/99/72/08/344997208.db2.gz COGXHOPAOAEPLO-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000154302925 345025933 /nfs/dbraw/zinc/02/59/33/345025933.db2.gz XXNMEYNELWPRSA-VOAKCMCISA-N 2 1 243.395 0.227 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000155657089 345095254 /nfs/dbraw/zinc/09/52/54/345095254.db2.gz OQQQKSNVYKXHSN-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000155695670 345096786 /nfs/dbraw/zinc/09/67/86/345096786.db2.gz PVXFZGHFFQRGIC-NHCYSSNCSA-N 2 1 241.379 0.959 20 0 BCADMP OCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155823760 345107834 /nfs/dbraw/zinc/10/78/34/345107834.db2.gz MNMZLHWDYDGDSB-VXGBXAGGSA-N 2 1 228.336 0.212 20 0 BCADMP CCC[C@](C)(CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993317 345189797 /nfs/dbraw/zinc/18/97/97/345189797.db2.gz QOQLOVVXCGCVDD-MOENNCHZSA-N 2 1 212.337 0.879 20 0 BCADMP C([N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C12CC(C1)C[NH2+]2 ZINC000634994395 345181521 /nfs/dbraw/zinc/18/15/21/345181521.db2.gz BGVHYSBIAXMNAL-AKJUYKBHSA-N 3 1 235.375 0.670 20 0 BCADMP C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C12CC(C1)C[NH2+]2 ZINC000634994395 345181524 /nfs/dbraw/zinc/18/15/24/345181524.db2.gz BGVHYSBIAXMNAL-AKJUYKBHSA-N 2 1 235.375 0.670 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000634994358 345181724 /nfs/dbraw/zinc/18/17/24/345181724.db2.gz ACOYPDBTIGAFDP-RYUDHWBXSA-N 3 1 213.369 0.807 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000634994356 345181788 /nfs/dbraw/zinc/18/17/88/345181788.db2.gz ACOYPDBTIGAFDP-NEPJUHHUSA-N 3 1 213.369 0.807 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(CC34CC(C3)C[NH2+]4)[C@@H]2C1 ZINC000634994574 345181987 /nfs/dbraw/zinc/18/19/87/345181987.db2.gz HQHSDNALBOUUEX-CEUNDQEZSA-N 2 1 235.375 0.764 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994675 345182320 /nfs/dbraw/zinc/18/23/20/345182320.db2.gz KDKNRBPSYMVLAW-ZSVAQUKISA-N 2 1 223.364 0.763 20 0 BCADMP CC(C)[C@H](C[NH3+])CN1CCC(O)(C[NH3+])CC1 ZINC000634996851 345184325 /nfs/dbraw/zinc/18/43/25/345184325.db2.gz XBLOMSJFLULAHY-LLVKDONJSA-N 2 1 229.368 0.003 20 0 BCADMP CC(C)[C@@H](C[NH3+])CNCC(F)(F)C[NH3+] ZINC000634995568 345185433 /nfs/dbraw/zinc/18/54/33/345185433.db2.gz IRTXCMWZSUVQHN-QMMMGPOBSA-N 2 1 209.284 0.401 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000634995904 345185962 /nfs/dbraw/zinc/18/59/62/345185962.db2.gz SHRRXDZOJLOBGI-QJPTWQEYSA-N 3 1 213.369 0.805 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634952048 345128219 /nfs/dbraw/zinc/12/82/19/345128219.db2.gz NUYZUDNNGVTQBL-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CNC(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156145805 345128288 /nfs/dbraw/zinc/12/82/88/345128288.db2.gz AULLIQPVKISPNQ-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156145439 345128354 /nfs/dbraw/zinc/12/83/54/345128354.db2.gz AULLIQPVKISPNQ-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959496 345133110 /nfs/dbraw/zinc/13/31/10/345133110.db2.gz SPPXPQFZIZMAPD-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP OC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCOC1 ZINC000634996690 345191094 /nfs/dbraw/zinc/19/10/94/345191094.db2.gz QRUJWHPBFHXRLJ-CMOBGSAGSA-N 2 1 240.347 0.116 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)CC[N@@H+]1C ZINC000156343790 345147995 /nfs/dbraw/zinc/14/79/95/345147995.db2.gz VPIYXIUFJZTWPE-GMTAPVOTSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)CC[N@H+]1C ZINC000156343790 345147998 /nfs/dbraw/zinc/14/79/98/345147998.db2.gz VPIYXIUFJZTWPE-GMTAPVOTSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC000634999469 345200668 /nfs/dbraw/zinc/20/06/68/345200668.db2.gz VDRZOBBTUJSSRH-FDYHWXHSSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000635349648 345318314 /nfs/dbraw/zinc/31/83/14/345318314.db2.gz ZOUBWYLGFIRDEO-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000635255887 345289030 /nfs/dbraw/zinc/28/90/30/345289030.db2.gz YCUHWQDGPVPUAW-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131904847 345311222 /nfs/dbraw/zinc/31/12/22/345311222.db2.gz YVVKFKHTXLOPTN-LPEHRKFASA-N 2 1 243.376 0.235 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335373539 345339232 /nfs/dbraw/zinc/33/92/32/345339232.db2.gz AGQBJCSMCKNRAW-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335373539 345339234 /nfs/dbraw/zinc/33/92/34/345339234.db2.gz AGQBJCSMCKNRAW-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158528670 345345817 /nfs/dbraw/zinc/34/58/17/345345817.db2.gz QJVHVQVYVNJXBH-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635542015 345534792 /nfs/dbraw/zinc/53/47/92/345534792.db2.gz UVIPVFUTXQDZLF-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600972165 345541334 /nfs/dbraw/zinc/54/13/34/345541334.db2.gz XELRKSAZFBLHDG-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600972165 345541336 /nfs/dbraw/zinc/54/13/36/345541336.db2.gz XELRKSAZFBLHDG-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600972165 345541337 /nfs/dbraw/zinc/54/13/37/345541337.db2.gz XELRKSAZFBLHDG-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600972165 345541339 /nfs/dbraw/zinc/54/13/39/345541339.db2.gz XELRKSAZFBLHDG-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378454 187359576 /nfs/dbraw/zinc/35/95/76/187359576.db2.gz BTCBSAWKTGXHGI-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000563118706 323093850 /nfs/dbraw/zinc/09/38/50/323093850.db2.gz BGLDYKDQZVEBOH-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635559448 345752142 /nfs/dbraw/zinc/75/21/42/345752142.db2.gz BKVJTNAQVXCZRS-PWSUYJOCSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635601382 345887929 /nfs/dbraw/zinc/88/79/29/345887929.db2.gz ATOXWWMCQZGJID-TUAOUCFPSA-N 2 1 241.379 0.735 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393983662 346017965 /nfs/dbraw/zinc/01/79/65/346017965.db2.gz VFMIMIPPFWPKEC-QWRGUYRKSA-N 2 1 232.368 0.296 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635768243 346058582 /nfs/dbraw/zinc/05/85/82/346058582.db2.gz CWJCZINEDHQISK-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC2)C1 ZINC000635726004 346037679 /nfs/dbraw/zinc/03/76/79/346037679.db2.gz YZNHIOUADXWKHL-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635749214 346047732 /nfs/dbraw/zinc/04/77/32/346047732.db2.gz DYPXJRJTGKGGEX-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332708600 187365767 /nfs/dbraw/zinc/36/57/67/187365767.db2.gz OGZLRJAQOSHFLB-GMTAPVOTSA-N 2 1 239.363 0.855 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000635956504 346131771 /nfs/dbraw/zinc/13/17/71/346131771.db2.gz YLYFLQNXPHPMIS-OUAUKWLOSA-N 2 1 225.336 0.099 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000636028588 346164673 /nfs/dbraw/zinc/16/46/73/346164673.db2.gz DFPRMPJBWCUMOW-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000429410437 192098020 /nfs/dbraw/zinc/09/80/20/192098020.db2.gz QTSGBTRSFPMBDD-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069277609 349944175 /nfs/dbraw/zinc/94/41/75/349944175.db2.gz UKEHDSLNGPQDTH-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000069277613 349944184 /nfs/dbraw/zinc/94/41/84/349944184.db2.gz UKEHDSLNGPQDTH-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795867 362736741 /nfs/dbraw/zinc/73/67/41/362736741.db2.gz APDPFBASMYPSBI-PWSUYJOCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CCc1c[nH+]cn1C ZINC000641797474 362742676 /nfs/dbraw/zinc/74/26/76/362742676.db2.gz CNYULCOCMGNQJJ-PHIMTYICSA-N 2 1 222.336 0.645 20 0 BCADMP C[NH2+]C[C@@H]1C[C@H](F)CN1CCc1c[nH+]cn1C ZINC000641798185 362743432 /nfs/dbraw/zinc/74/34/32/362743432.db2.gz IJQVRFNYHMMFLY-JQWIXIFHSA-N 2 1 240.326 0.594 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000070074108 349965156 /nfs/dbraw/zinc/96/51/56/349965156.db2.gz KOXDFQVZJCEPSI-LBPRGKRZSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000641798616 362744354 /nfs/dbraw/zinc/74/43/54/362744354.db2.gz KDUCSXRSMPZVJX-MNOVXSKESA-N 2 1 222.336 0.645 20 0 BCADMP CN(CCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000641796636 362740089 /nfs/dbraw/zinc/74/00/89/362740089.db2.gz FIOCZLQIIKFHFZ-SNVBAGLBSA-N 2 1 208.309 0.256 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805536 362762514 /nfs/dbraw/zinc/76/25/14/362762514.db2.gz NKWVHZUTGLTIAB-AEJSXWLSSA-N 2 1 227.352 0.617 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075101 346511230 /nfs/dbraw/zinc/51/12/30/346511230.db2.gz ULXXYTLNLAVZOH-ZDEQEGDKSA-N 3 1 223.364 0.526 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000577103638 365816944 /nfs/dbraw/zinc/81/69/44/365816944.db2.gz TUSAUHLYXDYVTD-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801445 362754836 /nfs/dbraw/zinc/75/48/36/362754836.db2.gz QYNKEIRVIWRHBM-GHMZBOCLSA-N 2 1 237.351 0.822 20 0 BCADMP CCN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801268 362754928 /nfs/dbraw/zinc/75/49/28/362754928.db2.gz OQLYZWQSONODBG-AEJSXWLSSA-N 2 1 225.336 0.323 20 0 BCADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801829 362757556 /nfs/dbraw/zinc/75/75/56/362757556.db2.gz FPPFNUGKQODWNL-GHMZBOCLSA-N 2 1 211.353 0.701 20 0 BCADMP CN(C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641802151 362758342 /nfs/dbraw/zinc/75/83/42/362758342.db2.gz YEAXBQFKZILTLC-ZJUUUORDSA-N 2 1 225.336 0.323 20 0 BCADMP CCCCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803730 362761176 /nfs/dbraw/zinc/76/11/76/362761176.db2.gz FKRHCSFGMIGSOS-NXEZZACHSA-N 2 1 227.352 0.618 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542232 /nfs/dbraw/zinc/54/22/32/346542232.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542235 /nfs/dbraw/zinc/54/22/35/346542235.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542238 /nfs/dbraw/zinc/54/22/38/346542238.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542240 /nfs/dbraw/zinc/54/22/40/346542240.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000580644718 365832384 /nfs/dbraw/zinc/83/23/84/365832384.db2.gz VNLPYMORJZUUQN-ONGXEEELSA-N 2 1 237.347 0.480 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000204536588 346659915 /nfs/dbraw/zinc/65/99/15/346659915.db2.gz ACSZCFDDFHQTAF-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H](c1cccnc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000580650301 365844401 /nfs/dbraw/zinc/84/44/01/365844401.db2.gz VZWPKVJBMILYGA-KOLCDFICSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000580650301 365844407 /nfs/dbraw/zinc/84/44/07/365844407.db2.gz VZWPKVJBMILYGA-KOLCDFICSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](c1cccnc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000580650302 365845330 /nfs/dbraw/zinc/84/53/30/365845330.db2.gz VZWPKVJBMILYGA-MWLCHTKSSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000580650302 365845335 /nfs/dbraw/zinc/84/53/35/365845335.db2.gz VZWPKVJBMILYGA-MWLCHTKSSA-N 2 1 209.293 0.394 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699679 346780475 /nfs/dbraw/zinc/78/04/75/346780475.db2.gz VNZZCQQFAZKGFO-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000308207082 346747427 /nfs/dbraw/zinc/74/74/27/346747427.db2.gz ZRXHUSRXIJMLNV-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000308207084 346747661 /nfs/dbraw/zinc/74/76/61/346747661.db2.gz ZRXHUSRXIJMLNV-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP COC(=O)CC1(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000601325495 347207186 /nfs/dbraw/zinc/20/71/86/347207186.db2.gz DGUQGDJSTLXQLH-GHMZBOCLSA-N 2 1 240.347 0.856 20 0 BCADMP Cc1ncccc1C[N@@H+](C)CCOCC[NH3+] ZINC000380681096 347233744 /nfs/dbraw/zinc/23/37/44/347233744.db2.gz GGRDONMEGNBLQQ-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331863 362799414 /nfs/dbraw/zinc/79/94/14/362799414.db2.gz OPKNAKVJRNXKJA-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903463 347259371 /nfs/dbraw/zinc/25/93/71/347259371.db2.gz QBEOYMZGGISEEE-VIFPVBQESA-N 2 1 245.348 0.214 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000310307304 347261207 /nfs/dbraw/zinc/26/12/07/347261207.db2.gz SAFWZIWLTPRPCN-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP CC[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000335845391 347348173 /nfs/dbraw/zinc/34/81/73/347348173.db2.gz SHSMIUGLEBTFOY-UHFFFAOYSA-N 2 1 213.325 0.102 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000335845391 347348177 /nfs/dbraw/zinc/34/81/77/347348177.db2.gz SHSMIUGLEBTFOY-UHFFFAOYSA-N 2 1 213.325 0.102 20 0 BCADMP C[C@@H](N[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453151 362821071 /nfs/dbraw/zinc/82/10/71/362821071.db2.gz KSAPQFGJIOEMIJ-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616925382 347456282 /nfs/dbraw/zinc/45/62/82/347456282.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 2 1 224.308 0.710 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215822 365884887 /nfs/dbraw/zinc/88/48/87/365884887.db2.gz TYYUDSUDRRLUOP-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP O[C@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCCCC1 ZINC000380102239 365880881 /nfs/dbraw/zinc/88/08/81/365880881.db2.gz XOVSQGYMUIZVBP-GFCCVEGCSA-N 2 1 242.363 0.338 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000577222001 365887692 /nfs/dbraw/zinc/88/76/92/365887692.db2.gz CFSURQJVQQUEOZ-NEPJUHHUSA-N 2 1 248.330 0.292 20 0 BCADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000590786452 347557066 /nfs/dbraw/zinc/55/70/66/347557066.db2.gz DCDPPTZAXAODMY-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000082476690 347618356 /nfs/dbraw/zinc/61/83/56/347618356.db2.gz SCANZYUVVIHKNX-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000591096395 347618520 /nfs/dbraw/zinc/61/85/20/347618520.db2.gz IVZGSEFSPVMVKO-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591101272 347619665 /nfs/dbraw/zinc/61/96/65/347619665.db2.gz GONGXQIJUKIDAB-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591442543 347662061 /nfs/dbraw/zinc/66/20/61/347662061.db2.gz QYKCTVBINHTXBO-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591442545 347662178 /nfs/dbraw/zinc/66/21/78/347662178.db2.gz QYKCTVBINHTXBO-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225967 535063740 /nfs/dbraw/zinc/06/37/40/535063740.db2.gz HHPYPQMXBUVBBT-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225967 535063742 /nfs/dbraw/zinc/06/37/42/535063742.db2.gz HHPYPQMXBUVBBT-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000592493351 347787912 /nfs/dbraw/zinc/78/79/12/347787912.db2.gz OZUBRMZEAPTCOX-UWVGGRQHSA-N 2 1 214.309 0.337 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])[C@@H](C)C[NH2+]1 ZINC000567057621 323174171 /nfs/dbraw/zinc/17/41/71/323174171.db2.gz RTHFGQGOAFTJTE-SFYZADRCSA-N 2 1 235.278 0.179 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417614886 323177671 /nfs/dbraw/zinc/17/76/71/323177671.db2.gz WFIYALGGKZYEMP-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@H](CSCCF)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000595020066 348171401 /nfs/dbraw/zinc/17/14/01/348171401.db2.gz SWUAGPKLDNXIBE-NXEZZACHSA-N 2 1 238.372 0.590 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181046 348347388 /nfs/dbraw/zinc/34/73/88/348347388.db2.gz UEPRILLIBJGIPC-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP COC(=O)C12CC(C1)C[N@H+]2CC1CC[NH2+]CC1 ZINC000595882431 348388608 /nfs/dbraw/zinc/38/86/08/348388608.db2.gz KEOABCDOIRMLKW-UHFFFAOYSA-N 2 1 238.331 0.623 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000595885504 348388671 /nfs/dbraw/zinc/38/86/71/348388671.db2.gz IJZPKJJDMHGMJV-TXEJJXNPSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900807 348394552 /nfs/dbraw/zinc/39/45/52/348394552.db2.gz LQELMECOQOKKHS-LBPRGKRZSA-N 2 1 240.347 0.871 20 0 BCADMP CC(C)=CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902651 348395304 /nfs/dbraw/zinc/39/53/04/348395304.db2.gz CPAVXWTYRSRMGJ-RYUDHWBXSA-N 2 1 237.347 0.587 20 0 BCADMP CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903545 348395574 /nfs/dbraw/zinc/39/55/74/348395574.db2.gz XYCZOJFDQANUNB-DCAQKATOSA-N 2 1 225.336 0.275 20 0 BCADMP C[C@@H](O)CNc1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000420149707 192163148 /nfs/dbraw/zinc/16/31/48/192163148.db2.gz IKCCOMWTKIVVLE-BDAKNGLRSA-N 2 1 237.307 0.043 20 0 BCADMP C[C@@H](O)CNc1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000420149715 192163649 /nfs/dbraw/zinc/16/36/49/192163649.db2.gz IKCCOMWTKIVVLE-RKDXNWHRSA-N 2 1 237.307 0.043 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@@H]1CC[NH2+]C1 ZINC000420147079 192163777 /nfs/dbraw/zinc/16/37/77/192163777.db2.gz BTAHEZWWDNAMTE-SECBINFHSA-N 2 1 235.287 0.454 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC[C@H](C)[NH3+] ZINC000420155703 192164979 /nfs/dbraw/zinc/16/49/79/192164979.db2.gz LJCJRMBFRPMWKW-VIFPVBQESA-N 2 1 237.303 0.829 20 0 BCADMP CCOC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309032786 323197360 /nfs/dbraw/zinc/19/73/60/323197360.db2.gz FZERIEKPSZFZDS-JTQLQIEISA-N 2 1 211.309 0.977 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250886547 349181024 /nfs/dbraw/zinc/18/10/24/349181024.db2.gz WODMKDYOSDZPBF-NWDGAFQWSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000251134261 349182690 /nfs/dbraw/zinc/18/26/90/349182690.db2.gz UZTBHLPWMZOPCH-QWRGUYRKSA-N 2 1 200.326 0.810 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507757 349174405 /nfs/dbraw/zinc/17/44/05/349174405.db2.gz AHRNZIAWHHVKHU-RYUDHWBXSA-N 2 1 214.353 0.935 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252851467 349219112 /nfs/dbraw/zinc/21/91/12/349219112.db2.gz IBQUEOKFVAYRRW-KKOKHZNYSA-N 2 1 239.363 0.665 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618618 350032046 /nfs/dbraw/zinc/03/20/46/350032046.db2.gz OIVHMEWUOPYSEL-LBPRGKRZSA-N 2 1 225.336 0.293 20 0 BCADMP C[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000131752109 191017029 /nfs/dbraw/zinc/01/70/29/191017029.db2.gz IOZAKVVUHSCGGL-RCWTZXSCSA-N 2 1 200.326 0.686 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000132172710 191026752 /nfs/dbraw/zinc/02/67/52/191026752.db2.gz LKXUAQDDMVDUNY-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132172710 191026755 /nfs/dbraw/zinc/02/67/55/191026755.db2.gz LKXUAQDDMVDUNY-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCSC1 ZINC000224611945 490332832 /nfs/dbraw/zinc/33/28/32/490332832.db2.gz TZNPTVYCZJFQMX-GFCCVEGCSA-N 2 1 243.420 0.577 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCSCC1 ZINC000422718030 192440655 /nfs/dbraw/zinc/44/06/55/192440655.db2.gz WQWFFDUFYXWYLE-NEPJUHHUSA-N 2 1 243.420 0.623 20 0 BCADMP C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C1C[NH2+]C1 ZINC000219942092 350151477 /nfs/dbraw/zinc/15/14/77/350151477.db2.gz IZCNMSMMYWSSIX-VHSXEESVSA-N 2 1 239.363 0.441 20 0 BCADMP CC(C)[C@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000427136547 191054167 /nfs/dbraw/zinc/05/41/67/191054167.db2.gz KVSPJSHUWSOYRW-MRVPVSSYSA-N 2 1 237.294 0.283 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236648500 191059203 /nfs/dbraw/zinc/05/92/03/191059203.db2.gz ALWAZXGTWNNMPY-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C ZINC000111635744 350181526 /nfs/dbraw/zinc/18/15/26/350181526.db2.gz AGYVBOPVYZSWQO-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C ZINC000111635744 350181530 /nfs/dbraw/zinc/18/15/30/350181530.db2.gz AGYVBOPVYZSWQO-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000309225870 350212869 /nfs/dbraw/zinc/21/28/69/350212869.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000309225870 350212871 /nfs/dbraw/zinc/21/28/71/350212871.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@H+](C)CC ZINC000309225870 350212872 /nfs/dbraw/zinc/21/28/72/350212872.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@@H+](C)CC ZINC000309225870 350212874 /nfs/dbraw/zinc/21/28/74/350212874.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP COCC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1C ZINC000309241196 350214485 /nfs/dbraw/zinc/21/44/85/350214485.db2.gz KULPNJVNAVGOFU-NSHDSACASA-N 2 1 227.308 0.131 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1C ZINC000309241196 350214488 /nfs/dbraw/zinc/21/44/88/350214488.db2.gz KULPNJVNAVGOFU-NSHDSACASA-N 2 1 227.308 0.131 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791372 535116890 /nfs/dbraw/zinc/11/68/90/535116890.db2.gz ZVKQWJXRPNIQPE-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791372 535116895 /nfs/dbraw/zinc/11/68/95/535116895.db2.gz ZVKQWJXRPNIQPE-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC1 ZINC000268848401 180246792 /nfs/dbraw/zinc/24/67/92/180246792.db2.gz JUSKVFNCKYIPLY-LLVKDONJSA-N 2 1 209.293 0.960 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCO ZINC000276335790 180249098 /nfs/dbraw/zinc/24/90/98/180249098.db2.gz GIZSGLDYBGGTNM-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCO ZINC000276335790 180249100 /nfs/dbraw/zinc/24/91/00/180249100.db2.gz GIZSGLDYBGGTNM-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP CCOCC[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000309261360 350243912 /nfs/dbraw/zinc/24/39/12/350243912.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP CCOCC[N@@H+](CC)C[C@@H](O)CN(C)CC ZINC000309261360 350243915 /nfs/dbraw/zinc/24/39/15/350243915.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000329757222 180252611 /nfs/dbraw/zinc/25/26/11/180252611.db2.gz ZHBYNYSZHVXIQS-LBPRGKRZSA-N 2 1 239.319 0.275 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@]1(CO)CCOC1 ZINC000329757222 180252614 /nfs/dbraw/zinc/25/26/14/180252614.db2.gz ZHBYNYSZHVXIQS-LBPRGKRZSA-N 2 1 239.319 0.275 20 0 BCADMP Cc1[nH+]ccn1CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287224173 180256680 /nfs/dbraw/zinc/25/66/80/180256680.db2.gz FRSBZSUZBAMYHC-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000261584179 180257556 /nfs/dbraw/zinc/25/75/56/180257556.db2.gz PNETZPALQNSDTH-RKDXNWHRSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)NCC[NH+](C)C ZINC000270688177 180258277 /nfs/dbraw/zinc/25/82/77/180258277.db2.gz WQWBUESILXDDGL-UHFFFAOYSA-N 2 1 239.323 0.052 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]CN1CCC(=O)CC1 ZINC000275701571 180260768 /nfs/dbraw/zinc/26/07/68/180260768.db2.gz JRHRETHFXJSCQQ-UHFFFAOYSA-N 2 1 236.319 0.404 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000178847734 180264100 /nfs/dbraw/zinc/26/41/00/180264100.db2.gz QZEZVSGYRJFCLL-KOLCDFICSA-N 2 1 236.319 0.530 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000178848233 180266954 /nfs/dbraw/zinc/26/69/54/180266954.db2.gz VOHDIIQTJZKJFY-NSHDSACASA-N 2 1 236.319 0.531 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618561406 350319549 /nfs/dbraw/zinc/31/95/49/350319549.db2.gz YKCVAQYJBOOIGV-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561406 350319554 /nfs/dbraw/zinc/31/95/54/350319554.db2.gz YKCVAQYJBOOIGV-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCN1CCOCC1 ZINC000565155142 323319684 /nfs/dbraw/zinc/31/96/84/323319684.db2.gz CPPOTINEAVZSFA-STQMWFEESA-N 2 1 241.379 0.520 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)C[N@@H+](C)C(C)C ZINC000429141678 191096875 /nfs/dbraw/zinc/09/68/75/191096875.db2.gz LOKKNIXKDVPEQC-SNVBAGLBSA-N 2 1 215.341 0.426 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673702 350393445 /nfs/dbraw/zinc/39/34/45/350393445.db2.gz MBMQXMKFMLPORV-ZJUUUORDSA-N 2 1 245.392 0.277 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069840045 350414674 /nfs/dbraw/zinc/41/46/74/350414674.db2.gz PVZVFMCWJAFAEE-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP CC[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637340509 350465526 /nfs/dbraw/zinc/46/55/26/350465526.db2.gz UCNZCWHENBWXBT-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)COC ZINC000163552654 350528821 /nfs/dbraw/zinc/52/88/21/350528821.db2.gz YCMXTVZZSVNLKT-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)COC ZINC000163552654 350528824 /nfs/dbraw/zinc/52/88/24/350528824.db2.gz YCMXTVZZSVNLKT-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220411339 490599236 /nfs/dbraw/zinc/59/92/36/490599236.db2.gz YNEKCDCLDGMGAA-UBJLHIIHSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@H]1CN(C)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251863127 362969290 /nfs/dbraw/zinc/96/92/90/362969290.db2.gz SRCRPHLQRLQJJG-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP CC(C)[C@H](C(=O)NCC[NH+]1CCC1)[NH+](C)C ZINC000337604513 350599605 /nfs/dbraw/zinc/59/96/05/350599605.db2.gz UMCLMMDBZDMKED-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(O)CC1 ZINC000309528233 350701817 /nfs/dbraw/zinc/70/18/17/350701817.db2.gz VITMPHNRXQBOEO-UHFFFAOYSA-N 2 1 223.320 0.856 20 0 BCADMP C[C@H]([NH3+])C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000571208254 350869895 /nfs/dbraw/zinc/86/98/95/350869895.db2.gz MNTKWJUFEXPFHB-JTQLQIEISA-N 2 1 211.353 0.785 20 0 BCADMP CC(C)([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577610318 366017603 /nfs/dbraw/zinc/01/76/03/366017603.db2.gz CPMSRXGSGMQCQP-UHFFFAOYSA-N 3 1 207.321 0.972 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382817950 351052741 /nfs/dbraw/zinc/05/27/41/351052741.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382817950 351052756 /nfs/dbraw/zinc/05/27/56/351052756.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382817950 351052759 /nfs/dbraw/zinc/05/27/59/351052759.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 2 1 232.368 0.390 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\CO)CC1(C)C ZINC000623563999 362990854 /nfs/dbraw/zinc/99/08/54/362990854.db2.gz PDGFOWGAQAPFQA-WYGGZMRJSA-N 2 1 212.337 0.997 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575409 363004432 /nfs/dbraw/zinc/00/44/32/363004432.db2.gz ZFKRZOHUVZVMKH-GMTAPVOTSA-N 2 1 212.337 0.972 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079512004 351067804 /nfs/dbraw/zinc/06/78/04/351067804.db2.gz KMANFFHFQJILDA-ZDUSSCGKSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520635 351071216 /nfs/dbraw/zinc/07/12/16/351071216.db2.gz ZVQJUSGUCPKEOZ-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCN(Cc2nccn2C)[C@@H](C)C1 ZINC000264308200 351232818 /nfs/dbraw/zinc/23/28/18/351232818.db2.gz ZEWSQZDDQJBMFR-NSHDSACASA-N 2 1 222.336 0.946 20 0 BCADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCO)C1 ZINC000336649930 191133361 /nfs/dbraw/zinc/13/33/61/191133361.db2.gz RXPRNNQIHZAAPQ-LBPRGKRZSA-N 2 1 212.337 0.642 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCO)C1 ZINC000336649930 191133364 /nfs/dbraw/zinc/13/33/64/191133364.db2.gz RXPRNNQIHZAAPQ-LBPRGKRZSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000336649930 191133367 /nfs/dbraw/zinc/13/33/67/191133367.db2.gz RXPRNNQIHZAAPQ-LBPRGKRZSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000336649930 191133368 /nfs/dbraw/zinc/13/33/68/191133368.db2.gz RXPRNNQIHZAAPQ-LBPRGKRZSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCCCn1cc[nH+]c1C ZINC000577625504 366023900 /nfs/dbraw/zinc/02/39/00/366023900.db2.gz KSVGEPIEJULQEU-JTQLQIEISA-N 2 1 238.335 0.696 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH3+])CC1 ZINC000637804995 351644447 /nfs/dbraw/zinc/64/44/47/351644447.db2.gz VUTVCZMSOSCSQX-UHFFFAOYSA-N 2 1 236.319 0.389 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC1CC[NH2+]CC1 ZINC000637805142 351644692 /nfs/dbraw/zinc/64/46/92/351644692.db2.gz JUWKAZMKGQAIPW-UHFFFAOYSA-N 2 1 236.319 0.307 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH2+]CC1 ZINC000637810460 351651195 /nfs/dbraw/zinc/65/11/95/351651195.db2.gz GGSJIGOOWBLNLK-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637815513 351654725 /nfs/dbraw/zinc/65/47/25/351654725.db2.gz HKTAZMCGTRLJEN-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637816616 351656724 /nfs/dbraw/zinc/65/67/24/351656724.db2.gz NNZVAZZPPMDFII-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP C[N@@H+](CC(=O)NC1CC[NH2+]CC1)CC(C)(C)C ZINC000637798116 351626576 /nfs/dbraw/zinc/62/65/76/351626576.db2.gz KSIVCKBJHFTMMJ-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH3+] ZINC000637801169 351631827 /nfs/dbraw/zinc/63/18/27/351631827.db2.gz BSHANKDLMZZQHA-UHFFFAOYSA-N 2 1 224.308 0.472 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]C(C)C ZINC000637829664 351677920 /nfs/dbraw/zinc/67/79/20/351677920.db2.gz SZVRLOMOIWJBJR-UHFFFAOYSA-N 2 1 238.335 0.696 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000637838882 351689216 /nfs/dbraw/zinc/68/92/16/351689216.db2.gz DMEKPPRGZLWVQR-NXEZZACHSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000637840611 351696038 /nfs/dbraw/zinc/69/60/38/351696038.db2.gz PMVJPALTVUUIQP-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637842354 351698805 /nfs/dbraw/zinc/69/88/05/351698805.db2.gz QPHMLZULCGAKQZ-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637844140 351699924 /nfs/dbraw/zinc/69/99/24/351699924.db2.gz DXNUEVWLGJGBCI-ONGXEEELSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844194 351700093 /nfs/dbraw/zinc/70/00/93/351700093.db2.gz LBBOOWMXKPJLGF-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000637842911 351701416 /nfs/dbraw/zinc/70/14/16/351701416.db2.gz ASMAULCRJQNIRP-JTQLQIEISA-N 2 1 238.335 0.812 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637847746 351703741 /nfs/dbraw/zinc/70/37/41/351703741.db2.gz CLAKEUVVXSGXPF-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000637825343 351665979 /nfs/dbraw/zinc/66/59/79/351665979.db2.gz VCINUKGHCANGBA-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH3+])CC[N@H+]1C ZINC000637823011 351667483 /nfs/dbraw/zinc/66/74/83/351667483.db2.gz CNPZUMMTGZSIOG-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827480 351669779 /nfs/dbraw/zinc/66/97/79/351669779.db2.gz RPLZQOIMLBCRQS-JTQLQIEISA-N 2 1 222.292 0.060 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637828104 351671451 /nfs/dbraw/zinc/67/14/51/351671451.db2.gz BNPFYHGRSPBLER-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000637826538 351673511 /nfs/dbraw/zinc/67/35/11/351673511.db2.gz TWMABRKWOAXDHC-UHFFFAOYSA-N 2 1 238.335 0.732 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH2+]1)CC(C)(C)C ZINC000637827246 351676037 /nfs/dbraw/zinc/67/60/37/351676037.db2.gz OIKZELJQVTZNSJ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637858819 351720379 /nfs/dbraw/zinc/72/03/79/351720379.db2.gz OUKDCIKLDGXQNF-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH3+])CC(C)(C)C ZINC000637860145 351721016 /nfs/dbraw/zinc/72/10/16/351721016.db2.gz WFDAHWPMQMTTTJ-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637865932 351725700 /nfs/dbraw/zinc/72/57/00/351725700.db2.gz GMNGBNPVACGYNH-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000637854250 351712990 /nfs/dbraw/zinc/71/29/90/351712990.db2.gz FYWSQDUMJPPYHK-SNVBAGLBSA-N 2 1 222.292 0.045 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000637854715 351714052 /nfs/dbraw/zinc/71/40/52/351714052.db2.gz DOFNSNKEPHFPAN-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000637854712 351714150 /nfs/dbraw/zinc/71/41/50/351714150.db2.gz DOFNSNKEPHFPAN-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000638075831 351947780 /nfs/dbraw/zinc/94/77/80/351947780.db2.gz UOEQKKPVFLSZNK-FRRDWIJNSA-N 2 1 249.358 0.777 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638067173 351939405 /nfs/dbraw/zinc/93/94/05/351939405.db2.gz BMUHPIKUWCDJJU-LBPRGKRZSA-N 2 1 248.330 0.745 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000638069354 351941784 /nfs/dbraw/zinc/94/17/84/351941784.db2.gz JMNCTBKFKPFMIA-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071698 351943461 /nfs/dbraw/zinc/94/34/61/351943461.db2.gz HTVHHMDSRPWUSN-KOLCDFICSA-N 2 1 223.320 0.102 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071699 351943834 /nfs/dbraw/zinc/94/38/34/351943834.db2.gz HTVHHMDSRPWUSN-MWLCHTKSSA-N 2 1 223.320 0.102 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000638072980 351945390 /nfs/dbraw/zinc/94/53/90/351945390.db2.gz WKXRSFVQXPIGPS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098346 351978257 /nfs/dbraw/zinc/97/82/57/351978257.db2.gz BUIXWNYACCSGJX-GXSJLCMTSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638100251 351980995 /nfs/dbraw/zinc/98/09/95/351980995.db2.gz LNQBVLCPCHTVNF-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)CCCOC ZINC000638121061 351995115 /nfs/dbraw/zinc/99/51/15/351995115.db2.gz DFJGOUWIZDLXQM-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000638126914 351998110 /nfs/dbraw/zinc/99/81/10/351998110.db2.gz RNLCDWRRNNYSAO-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638126999 351998322 /nfs/dbraw/zinc/99/83/22/351998322.db2.gz FBPYTNVDUFQREG-LBPRGKRZSA-N 2 1 239.363 0.882 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126489 351998327 /nfs/dbraw/zinc/99/83/27/351998327.db2.gz NFSWBAJVQMMUBZ-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138371 352003602 /nfs/dbraw/zinc/00/36/02/352003602.db2.gz DPIAJRCFMHNTDX-GFCCVEGCSA-N 2 1 248.330 0.544 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638176840 352043084 /nfs/dbraw/zinc/04/30/84/352043084.db2.gz GIHAZFCKDOPUFG-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP O=c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000638186392 352050234 /nfs/dbraw/zinc/05/02/34/352050234.db2.gz SMNREPUSBYVDQI-PHIMTYICSA-N 2 1 219.288 0.438 20 0 BCADMP O=c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000638186392 352050236 /nfs/dbraw/zinc/05/02/36/352050236.db2.gz SMNREPUSBYVDQI-PHIMTYICSA-N 2 1 219.288 0.438 20 0 BCADMP CO[C@@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186363 352052798 /nfs/dbraw/zinc/05/27/98/352052798.db2.gz ROHWYWVASVZSBL-LOWVWBTDSA-N 2 1 224.348 0.953 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197804 352060170 /nfs/dbraw/zinc/06/01/70/352060170.db2.gz OJDKGHVWVONGOU-TXEJJXNPSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638198150 352062030 /nfs/dbraw/zinc/06/20/30/352062030.db2.gz AATSWHMQCDCGHO-MNOVXSKESA-N 2 1 236.319 0.578 20 0 BCADMP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000638202892 352064161 /nfs/dbraw/zinc/06/41/61/352064161.db2.gz BRTNAXGUJXZYSD-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638204047 352065892 /nfs/dbraw/zinc/06/58/92/352065892.db2.gz BOCFBOIHQPUIFZ-ONGXEEELSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000638205560 352067370 /nfs/dbraw/zinc/06/73/70/352067370.db2.gz ICBXLFZGVMBGQM-QWRGUYRKSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638154616 352015144 /nfs/dbraw/zinc/01/51/44/352015144.db2.gz PQKVXXPKVPWNPK-SNVBAGLBSA-N 2 1 222.292 0.045 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000638155846 352019219 /nfs/dbraw/zinc/01/92/19/352019219.db2.gz WFFJXLXNZWXLTK-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH3+] ZINC000638156715 352019759 /nfs/dbraw/zinc/01/97/59/352019759.db2.gz QJDQJKXWHFYWFA-MRVPVSSYSA-N 2 1 210.281 0.045 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000638162059 352026413 /nfs/dbraw/zinc/02/64/13/352026413.db2.gz LGMSGKFSJZNTRG-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638175800 352041122 /nfs/dbraw/zinc/04/11/22/352041122.db2.gz NBGKGEVLKJRDKG-LBPRGKRZSA-N 2 1 237.347 0.364 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC1=CC[NH2+]CC1 ZINC000638175660 352041602 /nfs/dbraw/zinc/04/16/02/352041602.db2.gz ITICEATWBFZNMU-UHFFFAOYSA-N 2 1 234.303 0.227 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000638287974 352124618 /nfs/dbraw/zinc/12/46/18/352124618.db2.gz YOFFKZQAVDHQRA-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638237531 352088064 /nfs/dbraw/zinc/08/80/64/352088064.db2.gz TYOBLXIPUIEHTN-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246684 352093335 /nfs/dbraw/zinc/09/33/35/352093335.db2.gz DCIOSQMSNXEZLB-DCAQKATOSA-N 2 1 243.326 0.287 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246840 352093368 /nfs/dbraw/zinc/09/33/68/352093368.db2.gz FTZFGQYZXLIXNL-DCAQKATOSA-N 2 1 243.326 0.144 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638253205 352096343 /nfs/dbraw/zinc/09/63/43/352096343.db2.gz IFDQSGGCAVVAGD-MWLCHTKSSA-N 2 1 231.315 0.144 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)Cn1cc[nH+]c1C ZINC000638260091 352102573 /nfs/dbraw/zinc/10/25/73/352102573.db2.gz UWESKTGOMBJJNO-SECBINFHSA-N 2 1 210.281 0.045 20 0 BCADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000638256105 352102925 /nfs/dbraw/zinc/10/29/25/352102925.db2.gz NPUDMDVBJXEVAU-IVZWLZJFSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cn2ccnc2)[C@@H](C)C1 ZINC000288512846 352153810 /nfs/dbraw/zinc/15/38/10/352153810.db2.gz QWPGNVSFBTYVHE-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP CCN1CCN(C(=O)Cn2ccnc2)[C@@H](C)C1 ZINC000288512846 352153812 /nfs/dbraw/zinc/15/38/12/352153812.db2.gz QWPGNVSFBTYVHE-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336308 352154963 /nfs/dbraw/zinc/15/49/63/352154963.db2.gz SBEFOKATRDSJBT-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH3+])CC1 ZINC000638388123 352197332 /nfs/dbraw/zinc/19/73/32/352197332.db2.gz QMMCOEMZWPOLRY-UHFFFAOYSA-N 2 1 236.319 0.437 20 0 BCADMP CN(CC[NH3+])C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000638341224 352160719 /nfs/dbraw/zinc/16/07/19/352160719.db2.gz VQPXKNQSDTXNFV-UHFFFAOYSA-N 2 1 249.358 0.578 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH3+])CC[N@H+]1C ZINC000638344510 352163800 /nfs/dbraw/zinc/16/38/00/352163800.db2.gz UNLZPPBLPXICPR-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638344527 352163820 /nfs/dbraw/zinc/16/38/20/352163820.db2.gz ROQOOJMHWPOVIW-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364593 352177141 /nfs/dbraw/zinc/17/71/41/352177141.db2.gz MHXAMQXEPJXWPM-GHMZBOCLSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364459 352177166 /nfs/dbraw/zinc/17/71/66/352177166.db2.gz IFHPOKASMCZZFP-GHMZBOCLSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638369168 352181682 /nfs/dbraw/zinc/18/16/82/352181682.db2.gz DYICWVBQACPEMJ-DTWKUNHWSA-N 2 1 224.308 0.434 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381362 352193063 /nfs/dbraw/zinc/19/30/63/352193063.db2.gz KWPVDBAMIUAMSU-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000638312238 352138077 /nfs/dbraw/zinc/13/80/77/352138077.db2.gz FCRDSNJQNUMJJV-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH3+] ZINC000638330823 352149173 /nfs/dbraw/zinc/14/91/73/352149173.db2.gz HXTBLUDBMPVIGJ-GHMZBOCLSA-N 2 1 241.379 0.770 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638430538 352238776 /nfs/dbraw/zinc/23/87/76/352238776.db2.gz MEDJUDWWBBGFFC-NXEZZACHSA-N 2 1 240.282 0.089 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638395912 352203375 /nfs/dbraw/zinc/20/33/75/352203375.db2.gz FVSOOULHGAGDED-ONGXEEELSA-N 2 1 236.319 0.530 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638399539 352204218 /nfs/dbraw/zinc/20/42/18/352204218.db2.gz ITFKJRIRYUYEON-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638433170 352242007 /nfs/dbraw/zinc/24/20/07/352242007.db2.gz QYPUZAGVHQROBH-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000638438779 352245084 /nfs/dbraw/zinc/24/50/84/352245084.db2.gz CNLLQYNUBLSBCK-ZYHUDNBSSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000638438774 352245357 /nfs/dbraw/zinc/24/53/57/352245357.db2.gz CNLLQYNUBLSBCK-CMPLNLGQSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[NH2+]C1 ZINC000638439386 352249223 /nfs/dbraw/zinc/24/92/23/352249223.db2.gz HPWSYRVUXJETDJ-KBVBSXBZSA-N 2 1 234.303 0.381 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CSC[NH2+]1 ZINC000638495643 352315021 /nfs/dbraw/zinc/31/50/21/352315021.db2.gz LIAQQORDXTVJSE-RKDXNWHRSA-N 2 1 241.360 0.050 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638487894 352298286 /nfs/dbraw/zinc/29/82/86/352298286.db2.gz BUEHZFDMCMWALH-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638528629 352362241 /nfs/dbraw/zinc/36/22/41/352362241.db2.gz MIXXRJFRFQAWAM-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638528630 352362305 /nfs/dbraw/zinc/36/23/05/352362305.db2.gz MIXXRJFRFQAWAM-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP COC[C@]1(C[NH2+][C@H]2CCO[C@@H]2C)CCC[NH2+]1 ZINC000414944658 352366995 /nfs/dbraw/zinc/36/69/95/352366995.db2.gz OHGXEZGPNRJSJR-GRYCIOLGSA-N 2 1 228.336 0.522 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638535754 352367502 /nfs/dbraw/zinc/36/75/02/352367502.db2.gz DXIYGLWZSOITDZ-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CCN[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414952077 352371953 /nfs/dbraw/zinc/37/19/53/352371953.db2.gz HZSREWBUWFWHEI-TUAOUCFPSA-N 2 1 213.369 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CCOCC[NH2+]C ZINC000638591106 352422504 /nfs/dbraw/zinc/42/25/04/352422504.db2.gz DBEMVMKBNRYLBZ-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@H+]1C ZINC000638650803 352492795 /nfs/dbraw/zinc/49/27/95/352492795.db2.gz MTLQENQJZNUQAP-WISYIIOYSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643906 352486048 /nfs/dbraw/zinc/48/60/48/352486048.db2.gz NEAGIMFMEYPDFD-WDEREUQCSA-N 2 1 227.352 0.583 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643904 352486136 /nfs/dbraw/zinc/48/61/36/352486136.db2.gz NEAGIMFMEYPDFD-MNOVXSKESA-N 2 1 227.352 0.583 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000415006118 352498436 /nfs/dbraw/zinc/49/84/36/352498436.db2.gz PVOZPGIKFXOWLW-IJLUTSLNSA-N 3 1 211.353 0.846 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638727429 352586311 /nfs/dbraw/zinc/58/63/11/352586311.db2.gz HQTYLFSCPKIHEV-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300409403 352563233 /nfs/dbraw/zinc/56/32/33/352563233.db2.gz ZYHYFQYIDQNXQI-AAEUAGOBSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042308783 352617895 /nfs/dbraw/zinc/61/78/95/352617895.db2.gz GZQDDGKWJBXZGQ-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122299937 352662778 /nfs/dbraw/zinc/66/27/78/352662778.db2.gz URUMEQSODDSXCU-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122299937 352662780 /nfs/dbraw/zinc/66/27/80/352662780.db2.gz URUMEQSODDSXCU-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1C ZINC000638765793 352705502 /nfs/dbraw/zinc/70/55/02/352705502.db2.gz OMCVWRVNWRJVJQ-LNFKQOIKSA-N 2 1 225.336 0.193 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000341780231 352726585 /nfs/dbraw/zinc/72/65/85/352726585.db2.gz NSMDOSHWWBKQDT-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000341780231 352726586 /nfs/dbraw/zinc/72/65/86/352726586.db2.gz NSMDOSHWWBKQDT-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000341780231 352726588 /nfs/dbraw/zinc/72/65/88/352726588.db2.gz NSMDOSHWWBKQDT-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000341780231 352726590 /nfs/dbraw/zinc/72/65/90/352726590.db2.gz NSMDOSHWWBKQDT-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334185716 352774927 /nfs/dbraw/zinc/77/49/27/352774927.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334185716 352774931 /nfs/dbraw/zinc/77/49/31/352774931.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334185716 352774932 /nfs/dbraw/zinc/77/49/32/352774932.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000334198308 352790711 /nfs/dbraw/zinc/79/07/11/352790711.db2.gz LMBJPJXPTYNWAK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334198308 352790712 /nfs/dbraw/zinc/79/07/12/352790712.db2.gz LMBJPJXPTYNWAK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+]1C ZINC000638917694 353081743 /nfs/dbraw/zinc/08/17/43/353081743.db2.gz HBXKXZOJDVYAIF-FIQHERPVSA-N 2 1 237.347 0.289 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261562143 535198305 /nfs/dbraw/zinc/19/83/05/535198305.db2.gz BCIFNLPTHDMXQB-UHFFFAOYSA-N 3 1 211.353 0.799 20 0 BCADMP CC(C)(N)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261562143 535198309 /nfs/dbraw/zinc/19/83/09/535198309.db2.gz BCIFNLPTHDMXQB-UHFFFAOYSA-N 2 1 211.353 0.799 20 0 BCADMP CC(C)(N)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261562143 535198313 /nfs/dbraw/zinc/19/83/13/535198313.db2.gz BCIFNLPTHDMXQB-UHFFFAOYSA-N 2 1 211.353 0.799 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926694 353087235 /nfs/dbraw/zinc/08/72/35/353087235.db2.gz LAORWOINUCTZNY-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638929341 353099216 /nfs/dbraw/zinc/09/92/16/353099216.db2.gz FXPGCWXYYZJEBP-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336683203 188011241 /nfs/dbraw/zinc/01/12/41/188011241.db2.gz JPNQICYHIAHXNE-NEPJUHHUSA-N 2 1 214.353 0.887 20 0 BCADMP CC(C)(C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331763280 188016642 /nfs/dbraw/zinc/01/66/42/188016642.db2.gz KURRNYLHZLTLMI-SECBINFHSA-N 2 1 240.351 0.260 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000127131207 188047479 /nfs/dbraw/zinc/04/74/79/188047479.db2.gz HKOHWBUYNKXXKS-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643488 358475820 /nfs/dbraw/zinc/47/58/20/358475820.db2.gz WDTGCNHBASYULQ-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000126031051 353220918 /nfs/dbraw/zinc/22/09/18/353220918.db2.gz VPQTZPDFHFVTPX-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074273 353253342 /nfs/dbraw/zinc/25/33/42/353253342.db2.gz ZSUSTEGATMSNSO-GFCCVEGCSA-N 2 1 241.379 0.819 20 0 BCADMP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000639023050 353281956 /nfs/dbraw/zinc/28/19/56/353281956.db2.gz SNDWANXZBCPDSE-IWSPIJDZSA-N 2 1 229.349 0.035 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000356743767 188238410 /nfs/dbraw/zinc/23/84/10/188238410.db2.gz OGKYHNPWLKCBNA-SNVBAGLBSA-N 2 1 215.341 0.393 20 0 BCADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000367976960 188246334 /nfs/dbraw/zinc/24/63/34/188246334.db2.gz NZLDJEMJJAIYNG-IUCAKERBSA-N 2 1 249.305 0.331 20 0 BCADMP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370740801 188248271 /nfs/dbraw/zinc/24/82/71/188248271.db2.gz OZUMAQZMCKMOHU-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044808501 188258277 /nfs/dbraw/zinc/25/82/77/188258277.db2.gz NNTYKIKJIUBFHF-PWSUYJOCSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000165300927 353294448 /nfs/dbraw/zinc/29/44/48/353294448.db2.gz VRRSODKSVUBIRP-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110275 353306162 /nfs/dbraw/zinc/30/61/62/353306162.db2.gz JGHQCVJSGDIWEX-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110421 353306182 /nfs/dbraw/zinc/30/61/82/353306182.db2.gz JGHQCVJSGDIWEX-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000252876617 353312970 /nfs/dbraw/zinc/31/29/70/353312970.db2.gz QYUWWSZHDZZYIO-FRRDWIJNSA-N 2 1 224.348 0.689 20 0 BCADMP CC(C)[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129403146 188317768 /nfs/dbraw/zinc/31/77/68/188317768.db2.gz JBPHGLAZOSXRKO-LLVKDONJSA-N 2 1 200.326 0.687 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000165490277 353367084 /nfs/dbraw/zinc/36/70/84/353367084.db2.gz XYXOEGTZQLSLSI-WDEREUQCSA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000165490277 353367088 /nfs/dbraw/zinc/36/70/88/353367088.db2.gz XYXOEGTZQLSLSI-WDEREUQCSA-N 2 1 214.309 0.073 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCC[NH3+] ZINC000237079459 188327202 /nfs/dbraw/zinc/32/72/02/188327202.db2.gz DOWMEMDHAAPKGB-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639049034 353340052 /nfs/dbraw/zinc/34/00/52/353340052.db2.gz GWPQXHPDOJNHJN-NEPJUHHUSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639049034 353340055 /nfs/dbraw/zinc/34/00/55/353340055.db2.gz GWPQXHPDOJNHJN-NEPJUHHUSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@@](C)(C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639048912 353343650 /nfs/dbraw/zinc/34/36/50/353343650.db2.gz CJZAWRXCTRVCJX-STQMWFEESA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@@](C)(C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639048912 353343653 /nfs/dbraw/zinc/34/36/53/353343653.db2.gz CJZAWRXCTRVCJX-STQMWFEESA-N 2 1 242.363 0.458 20 0 BCADMP CCOC1CC(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000639049436 353344237 /nfs/dbraw/zinc/34/42/37/353344237.db2.gz RCFIMIKCQLUMOU-WXRRBKDZSA-N 2 1 242.363 0.458 20 0 BCADMP CCOC1CC(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000639049436 353344240 /nfs/dbraw/zinc/34/42/40/353344240.db2.gz RCFIMIKCQLUMOU-WXRRBKDZSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H](C)[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049431 353344545 /nfs/dbraw/zinc/34/45/45/353344545.db2.gz RAPFJJKKGAQZBX-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H](C)[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049431 353344547 /nfs/dbraw/zinc/34/45/47/353344547.db2.gz RAPFJJKKGAQZBX-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639049572 353344567 /nfs/dbraw/zinc/34/45/67/353344567.db2.gz VFVMYWIWHRDQOW-YVECIDJPSA-N 2 1 224.348 0.689 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639049572 353344568 /nfs/dbraw/zinc/34/45/68/353344568.db2.gz VFVMYWIWHRDQOW-YVECIDJPSA-N 2 1 224.348 0.689 20 0 BCADMP CC(C)CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000165539136 353387501 /nfs/dbraw/zinc/38/75/01/353387501.db2.gz WMHQAGAGZBHHMR-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654321 188354936 /nfs/dbraw/zinc/35/49/36/188354936.db2.gz PYCBMKICMRWVHG-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072793 353419403 /nfs/dbraw/zinc/41/94/03/353419403.db2.gz KOTFVZWGFHQFIP-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000520814262 324110116 /nfs/dbraw/zinc/11/01/16/324110116.db2.gz JEFDMTHISRJYRY-RWMBFGLXSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000520814262 324110121 /nfs/dbraw/zinc/11/01/21/324110121.db2.gz JEFDMTHISRJYRY-RWMBFGLXSA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH+](C)C ZINC000412392875 191278772 /nfs/dbraw/zinc/27/87/72/191278772.db2.gz FTXRHBWFWJKGSB-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000040467847 188397480 /nfs/dbraw/zinc/39/74/80/188397480.db2.gz PXOREVCROWYVFH-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123092412 188398815 /nfs/dbraw/zinc/39/88/15/188398815.db2.gz SPFAJLMDESRIEH-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)(C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000123094042 188399132 /nfs/dbraw/zinc/39/91/32/188399132.db2.gz OUKZTVFQAKVEBO-JTQLQIEISA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000131999743 188403270 /nfs/dbraw/zinc/40/32/70/188403270.db2.gz GCQDSFFLOSRQSU-ZJUUUORDSA-N 2 1 245.392 0.481 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000574986410 353513813 /nfs/dbraw/zinc/51/38/13/353513813.db2.gz ILVKXRTZEVNHHF-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000192108321 353542645 /nfs/dbraw/zinc/54/26/45/353542645.db2.gz FXERRLMPWAGLDD-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134472543 353497233 /nfs/dbraw/zinc/49/72/33/353497233.db2.gz SNIOFODDCWHTOC-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000193300669 353589972 /nfs/dbraw/zinc/58/99/72/353589972.db2.gz JZAVKZAMWUQQRZ-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000193309857 353590644 /nfs/dbraw/zinc/59/06/44/353590644.db2.gz NKQBHHFIDNAJBQ-NXEZZACHSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000577883104 366095023 /nfs/dbraw/zinc/09/50/23/366095023.db2.gz MIRGHHMOMOFQNW-BQBZGAKWSA-N 2 1 223.267 0.213 20 0 BCADMP CO[C@]1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCOC1 ZINC000639113706 353706703 /nfs/dbraw/zinc/70/67/03/353706703.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 2 1 240.347 0.285 20 0 BCADMP CO[C@]1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCOC1 ZINC000639113706 353706705 /nfs/dbraw/zinc/70/67/05/353706705.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 2 1 240.347 0.285 20 0 BCADMP CO[C@]1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCOC1 ZINC000639113706 353706708 /nfs/dbraw/zinc/70/67/08/353706708.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 2 1 240.347 0.285 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000220121679 353822480 /nfs/dbraw/zinc/82/24/80/353822480.db2.gz UJUWVYXTMAKFJP-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000334539722 353927397 /nfs/dbraw/zinc/92/73/97/353927397.db2.gz MQRTUVZJXOPHGJ-LBPRGKRZSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)C ZINC000343672921 353951139 /nfs/dbraw/zinc/95/11/39/353951139.db2.gz RBZFGMLNTZIGOJ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000343672921 353951142 /nfs/dbraw/zinc/95/11/42/353951142.db2.gz RBZFGMLNTZIGOJ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000343672921 353951145 /nfs/dbraw/zinc/95/11/45/353951145.db2.gz RBZFGMLNTZIGOJ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@@H+]1CCCC12CC[NH+](CCCO)CC2 ZINC000334553521 353995721 /nfs/dbraw/zinc/99/57/21/353995721.db2.gz MKVCKAHRZVRGLD-UHFFFAOYSA-N 2 1 212.337 0.929 20 0 BCADMP C[N@H+]1CCCC12CC[NH+](CCCO)CC2 ZINC000334553521 353995723 /nfs/dbraw/zinc/99/57/23/353995723.db2.gz MKVCKAHRZVRGLD-UHFFFAOYSA-N 2 1 212.337 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343808500 354011313 /nfs/dbraw/zinc/01/13/13/354011313.db2.gz BJFWMKMMQMQGIX-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CO[C@]1(C[N@@H+](C)CCC[NH+](C)C)CCOC1 ZINC000639167707 354038972 /nfs/dbraw/zinc/03/89/72/354038972.db2.gz JWOGOLUDWDBJMT-LBPRGKRZSA-N 2 1 230.352 0.675 20 0 BCADMP CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C1 ZINC000231075064 363336843 /nfs/dbraw/zinc/33/68/43/363336843.db2.gz WIZNTNLWQFNIDB-NXEZZACHSA-N 2 1 200.326 0.735 20 0 BCADMP C[NH2+]CCC[N@@H+](CC(N)=O)CC(C)C ZINC000230895676 363327376 /nfs/dbraw/zinc/32/73/76/363327376.db2.gz BFAJDFRXPHGBCZ-UHFFFAOYSA-N 2 1 201.314 0.039 20 0 BCADMP C[NH2+]CCC[N@H+](CC(N)=O)CC(C)C ZINC000230895676 363327380 /nfs/dbraw/zinc/32/73/80/363327380.db2.gz BFAJDFRXPHGBCZ-UHFFFAOYSA-N 2 1 201.314 0.039 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449682116 202003244 /nfs/dbraw/zinc/00/32/44/202003244.db2.gz KUMJFHNIGZVOAF-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627135095 363351302 /nfs/dbraw/zinc/35/13/02/363351302.db2.gz NCHFJLYKVQCHFM-WDEREUQCSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587639 354213501 /nfs/dbraw/zinc/21/35/01/354213501.db2.gz YBOOIXLJDBRRSY-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@H](CN2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587639 354213503 /nfs/dbraw/zinc/21/35/03/354213503.db2.gz YBOOIXLJDBRRSY-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000334614742 354300308 /nfs/dbraw/zinc/30/03/08/354300308.db2.gz DRBVYCBUOKVIMB-GHMZBOCLSA-N 3 1 247.333 0.963 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000578024056 366188896 /nfs/dbraw/zinc/18/88/96/366188896.db2.gz LYXSCGWVQQSVBY-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000578024056 366188900 /nfs/dbraw/zinc/18/89/00/366188900.db2.gz LYXSCGWVQQSVBY-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000578024056 366188906 /nfs/dbraw/zinc/18/89/06/366188906.db2.gz LYXSCGWVQQSVBY-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+](C)C ZINC000334652087 354445209 /nfs/dbraw/zinc/44/52/09/354445209.db2.gz QIJOUULMNUTBDF-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+](C)C ZINC000334652087 354445211 /nfs/dbraw/zinc/44/52/11/354445211.db2.gz QIJOUULMNUTBDF-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP Cc1nccn1CC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334812170 354569044 /nfs/dbraw/zinc/56/90/44/354569044.db2.gz KFADBFZWVGCJNT-PWSUYJOCSA-N 2 1 223.320 0.894 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000393889935 354596962 /nfs/dbraw/zinc/59/69/62/354596962.db2.gz ZJRFOPVUHVIRCN-CYBMUJFWSA-N 2 1 234.347 0.648 20 0 BCADMP COCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503621 354599869 /nfs/dbraw/zinc/59/98/69/354599869.db2.gz QZAUMBSPTZDYMY-NSHDSACASA-N 2 1 245.367 0.021 20 0 BCADMP COCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503621 354599871 /nfs/dbraw/zinc/59/98/71/354599871.db2.gz QZAUMBSPTZDYMY-NSHDSACASA-N 2 1 245.367 0.021 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000345326330 354611751 /nfs/dbraw/zinc/61/17/51/354611751.db2.gz SQAHYCFZXKIIOM-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335108014 354694120 /nfs/dbraw/zinc/69/41/20/354694120.db2.gz QQLKWHUYGWNKAS-RKDXNWHRSA-N 2 1 247.289 0.052 20 0 BCADMP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335109628 354695825 /nfs/dbraw/zinc/69/58/25/354695825.db2.gz BJQBIFFLQXINNJ-RKDXNWHRSA-N 2 1 247.289 0.181 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639217195 354867372 /nfs/dbraw/zinc/86/73/72/354867372.db2.gz QVDQJTDIUHZZCX-RWMBFGLXSA-N 2 1 244.379 0.846 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686316 355012541 /nfs/dbraw/zinc/01/25/41/355012541.db2.gz UAOVNTWDFWGCSL-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686316 355012543 /nfs/dbraw/zinc/01/25/43/355012543.db2.gz UAOVNTWDFWGCSL-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(CC)CC)CC[C@@H]1[NH3+] ZINC000147524051 491071277 /nfs/dbraw/zinc/07/12/77/491071277.db2.gz QLTUEDSJNNIRNR-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)CC[C@@H]1[NH3+] ZINC000147524051 491071278 /nfs/dbraw/zinc/07/12/78/491071278.db2.gz QLTUEDSJNNIRNR-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693021 355075956 /nfs/dbraw/zinc/07/59/56/355075956.db2.gz KJPMDRYGEWXMFM-CMPLNLGQSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693021 355075960 /nfs/dbraw/zinc/07/59/60/355075960.db2.gz KJPMDRYGEWXMFM-CMPLNLGQSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc2cnccn12 ZINC000346694909 355076885 /nfs/dbraw/zinc/07/68/85/355076885.db2.gz XFEJJDRHROGSPF-QWRGUYRKSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2cnccn12 ZINC000346694909 355076889 /nfs/dbraw/zinc/07/68/89/355076889.db2.gz XFEJJDRHROGSPF-QWRGUYRKSA-N 2 1 245.330 0.898 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC000335217905 355056324 /nfs/dbraw/zinc/05/63/24/355056324.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335217905 355056326 /nfs/dbraw/zinc/05/63/26/355056326.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335217905 355056329 /nfs/dbraw/zinc/05/63/29/355056329.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000346827140 355127835 /nfs/dbraw/zinc/12/78/35/355127835.db2.gz HNSUXBBOVPRRCH-JTQLQIEISA-N 2 1 227.352 0.701 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000346827140 355127837 /nfs/dbraw/zinc/12/78/37/355127837.db2.gz HNSUXBBOVPRRCH-JTQLQIEISA-N 2 1 227.352 0.701 20 0 BCADMP C[NH+](C)CCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346830130 355128548 /nfs/dbraw/zinc/12/85/48/355128548.db2.gz JWADFQGVUFICMB-UHFFFAOYSA-N 3 1 243.395 0.766 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832641 355129630 /nfs/dbraw/zinc/12/96/30/355129630.db2.gz RHZFAQMLXIOKQL-MVWJERBFSA-N 2 1 220.320 0.887 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346848358 355136795 /nfs/dbraw/zinc/13/67/95/355136795.db2.gz QEKDCJGSPKVHKE-MNOVXSKESA-N 2 1 229.368 0.111 20 0 BCADMP CC(=O)NC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346852205 355138921 /nfs/dbraw/zinc/13/89/21/355138921.db2.gz WQQACVZHRIWXCG-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346852205 355138923 /nfs/dbraw/zinc/13/89/23/355138923.db2.gz WQQACVZHRIWXCG-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971118 355207403 /nfs/dbraw/zinc/20/74/03/355207403.db2.gz KMIUFNPIPYKPTI-WCQYABFASA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971119 355207535 /nfs/dbraw/zinc/20/75/35/355207535.db2.gz KMIUFNPIPYKPTI-YPMHNXCESA-N 2 1 240.347 0.871 20 0 BCADMP CNC(=O)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346995201 355193544 /nfs/dbraw/zinc/19/35/44/355193544.db2.gz VOOPLCSQWFINFI-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347004454 355201867 /nfs/dbraw/zinc/20/18/67/355201867.db2.gz OAZDUIACOKIFPE-GFCCVEGCSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347004454 355201868 /nfs/dbraw/zinc/20/18/68/355201868.db2.gz OAZDUIACOKIFPE-GFCCVEGCSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC[N@H+]1C ZINC000639245679 355261105 /nfs/dbraw/zinc/26/11/05/355261105.db2.gz ZTHQQCKPLMKAFU-WZRBSPASSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513511 355250285 /nfs/dbraw/zinc/25/02/85/355250285.db2.gz UDNHERKTVFTECZ-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000352016115 134036881 /nfs/dbraw/zinc/03/68/81/134036881.db2.gz VCMZXBWKWWSVHU-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000352016115 134036882 /nfs/dbraw/zinc/03/68/82/134036882.db2.gz VCMZXBWKWWSVHU-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000352016115 134036883 /nfs/dbraw/zinc/03/68/83/134036883.db2.gz VCMZXBWKWWSVHU-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352016115 134036884 /nfs/dbraw/zinc/03/68/84/134036884.db2.gz VCMZXBWKWWSVHU-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794758 355450487 /nfs/dbraw/zinc/45/04/87/355450487.db2.gz MYOCHWSGIYFQNJ-KGLIPLIRSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794758 355450490 /nfs/dbraw/zinc/45/04/90/355450490.db2.gz MYOCHWSGIYFQNJ-KGLIPLIRSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000349931707 355529807 /nfs/dbraw/zinc/52/98/07/355529807.db2.gz AKIMVYBODSRWPY-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000349931707 355529811 /nfs/dbraw/zinc/52/98/11/355529811.db2.gz AKIMVYBODSRWPY-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000415143804 191685919 /nfs/dbraw/zinc/68/59/19/191685919.db2.gz UAVHWLMWHAANNV-GFCCVEGCSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000415143804 191685922 /nfs/dbraw/zinc/68/59/22/191685922.db2.gz UAVHWLMWHAANNV-GFCCVEGCSA-N 2 1 228.336 0.999 20 0 BCADMP CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000335852304 355596760 /nfs/dbraw/zinc/59/67/60/355596760.db2.gz VCJWZWHCAFHDPZ-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000350021034 355576831 /nfs/dbraw/zinc/57/68/31/355576831.db2.gz WTBYTXGCVLTZJY-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000350021034 355576836 /nfs/dbraw/zinc/57/68/36/355576836.db2.gz WTBYTXGCVLTZJY-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000582181802 355646033 /nfs/dbraw/zinc/64/60/33/355646033.db2.gz RUJZUEHGOKSNAP-UPJWGTAASA-N 3 1 241.379 0.472 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000380314247 355703200 /nfs/dbraw/zinc/70/32/00/355703200.db2.gz IGSZBRODQJTBLU-GRYCIOLGSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000380314247 355703202 /nfs/dbraw/zinc/70/32/02/355703202.db2.gz IGSZBRODQJTBLU-GRYCIOLGSA-N 2 1 213.369 0.866 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC000206534240 355935369 /nfs/dbraw/zinc/93/53/69/355935369.db2.gz JSNUNZYKHVBANE-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000389249292 355936109 /nfs/dbraw/zinc/93/61/09/355936109.db2.gz BWHBJEDPUXKZEM-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000167207675 355977377 /nfs/dbraw/zinc/97/73/77/355977377.db2.gz VLKAKVDPHBDXEF-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000167432098 355993015 /nfs/dbraw/zinc/99/30/15/355993015.db2.gz AJVURMACIHYNPP-CMPLNLGQSA-N 2 1 230.352 0.314 20 0 BCADMP CCN(C(=O)C[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000617555133 356111779 /nfs/dbraw/zinc/11/17/79/356111779.db2.gz QIBUNPGNRGVTSK-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617555105 356111937 /nfs/dbraw/zinc/11/19/37/356111937.db2.gz PZRFTTSESBFCKY-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000617555105 356111938 /nfs/dbraw/zinc/11/19/38/356111938.db2.gz PZRFTTSESBFCKY-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000617555105 356111941 /nfs/dbraw/zinc/11/19/41/356111941.db2.gz PZRFTTSESBFCKY-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418194374 191994155 /nfs/dbraw/zinc/99/41/55/191994155.db2.gz DNOXXQRSPDNIMR-JTQLQIEISA-N 2 1 230.356 0.363 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000351866167 356101524 /nfs/dbraw/zinc/10/15/24/356101524.db2.gz QOWBMUDEQIXYAV-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000351866167 356101528 /nfs/dbraw/zinc/10/15/28/356101528.db2.gz QOWBMUDEQIXYAV-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864950 356101556 /nfs/dbraw/zinc/10/15/56/356101556.db2.gz ZYPVSAMYOADBNI-TUAOUCFPSA-N 2 1 241.379 0.911 20 0 BCADMP C[NH2+]CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418278994 192012551 /nfs/dbraw/zinc/01/25/51/192012551.db2.gz NIQLPONMXQYGKB-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623261569 356148727 /nfs/dbraw/zinc/14/87/27/356148727.db2.gz XHUFNOJRWYXOOV-PWSUYJOCSA-N 2 1 248.330 0.408 20 0 BCADMP CN1CCCC[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623261569 356148731 /nfs/dbraw/zinc/14/87/31/356148731.db2.gz XHUFNOJRWYXOOV-PWSUYJOCSA-N 2 1 248.330 0.408 20 0 BCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH3+])C1 ZINC000418297745 192019989 /nfs/dbraw/zinc/01/99/89/192019989.db2.gz LBOZLPDASTVCBY-UHFFFAOYSA-N 2 1 242.367 0.366 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000418310794 192021741 /nfs/dbraw/zinc/02/17/41/192021741.db2.gz KTJBLWZFEXSJDK-LLVKDONJSA-N 2 1 242.367 0.317 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[NH3+] ZINC000418292956 192017485 /nfs/dbraw/zinc/01/74/85/192017485.db2.gz DJZCDKFLHBXPDI-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000331823654 356203735 /nfs/dbraw/zinc/20/37/35/356203735.db2.gz CGBVFYMIYRAJJF-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CCOC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420293552 192203885 /nfs/dbraw/zinc/20/38/85/192203885.db2.gz RGBGYLVCDSPYJU-LLVKDONJSA-N 2 1 214.309 0.657 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420297637 192205741 /nfs/dbraw/zinc/20/57/41/192205741.db2.gz YZDRKOKVEYJWOD-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420297637 192205743 /nfs/dbraw/zinc/20/57/43/192205743.db2.gz YZDRKOKVEYJWOD-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)N1 ZINC000420301339 192206309 /nfs/dbraw/zinc/20/63/09/192206309.db2.gz VNRJGQRGFXGZLQ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000420301339 192206310 /nfs/dbraw/zinc/20/63/10/192206310.db2.gz VNRJGQRGFXGZLQ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319873 192195516 /nfs/dbraw/zinc/19/55/16/192195516.db2.gz ASFDWZPPZMKQSD-OLZOCXBDSA-N 3 1 241.379 0.283 20 0 BCADMP CC(C)OC(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000420270118 192195801 /nfs/dbraw/zinc/19/58/01/192195801.db2.gz IVQRBADNKKPRGG-UHFFFAOYSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320968 192196198 /nfs/dbraw/zinc/19/61/98/192196198.db2.gz UTKJTTXUKGMERI-NSHDSACASA-N 2 1 226.320 0.481 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488825 356305332 /nfs/dbraw/zinc/30/53/32/356305332.db2.gz LNOAXDXXDZFKHO-RYUDHWBXSA-N 2 1 249.362 0.649 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488824 356305664 /nfs/dbraw/zinc/30/56/64/356305664.db2.gz LNOAXDXXDZFKHO-NWDGAFQWSA-N 2 1 249.362 0.649 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420286244 192199984 /nfs/dbraw/zinc/19/99/84/192199984.db2.gz FZXZBTDZAHZKQQ-CYBMUJFWSA-N 3 1 242.411 0.197 20 0 BCADMP CC(C)[C@H]([NH3+])CCN(C)CCN1CC[NH2+]CC1 ZINC000420286244 192199987 /nfs/dbraw/zinc/19/99/87/192199987.db2.gz FZXZBTDZAHZKQQ-CYBMUJFWSA-N 2 1 242.411 0.197 20 0 BCADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000617759509 356315903 /nfs/dbraw/zinc/31/59/03/356315903.db2.gz IRFFJMZHLYGGOH-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295266 192202419 /nfs/dbraw/zinc/20/24/19/192202419.db2.gz CCGJIAPFDYQIIW-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP NC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420293213 192202448 /nfs/dbraw/zinc/20/24/48/192202448.db2.gz MVNDYNRSTGLXBZ-NEPJUHHUSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420293213 192202450 /nfs/dbraw/zinc/20/24/50/192202450.db2.gz MVNDYNRSTGLXBZ-NEPJUHHUSA-N 2 1 211.353 0.799 20 0 BCADMP COC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295264 192202672 /nfs/dbraw/zinc/20/26/72/192202672.db2.gz CCGJIAPFDYQIIW-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000420292900 192203250 /nfs/dbraw/zinc/20/32/50/192203250.db2.gz QHEGIBREDYFQLB-MNOVXSKESA-N 2 1 240.347 0.999 20 0 BCADMP Cc1csc(=O)n1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420333577 192214196 /nfs/dbraw/zinc/21/41/96/192214196.db2.gz ODVYJOCEIRUTFS-UHFFFAOYSA-N 2 1 241.360 0.640 20 0 BCADMP Cc1csc(=O)n1CC[N@H+](C)C1CC([NH3+])C1 ZINC000420333577 192214199 /nfs/dbraw/zinc/21/41/99/192214199.db2.gz ODVYJOCEIRUTFS-UHFFFAOYSA-N 2 1 241.360 0.640 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000420332794 192214319 /nfs/dbraw/zinc/21/43/19/192214319.db2.gz BZAXWAKKLXTNRQ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000420332794 192214322 /nfs/dbraw/zinc/21/43/22/192214322.db2.gz BZAXWAKKLXTNRQ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332534 192214363 /nfs/dbraw/zinc/21/43/63/192214363.db2.gz RUNTVKIOROCUBD-MNOVXSKESA-N 2 1 226.320 0.481 20 0 BCADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CC[NH2+]C1 ZINC000420342544 192216663 /nfs/dbraw/zinc/21/66/63/192216663.db2.gz QXTGYJCSYDYRDO-MCIONIFRSA-N 3 1 237.391 0.917 20 0 BCADMP CN(CC[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420350514 192217732 /nfs/dbraw/zinc/21/77/32/192217732.db2.gz HECANKAQYUXGDP-ZDUSSCGKSA-N 2 1 237.347 0.374 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304247 192209005 /nfs/dbraw/zinc/20/90/05/192209005.db2.gz LIJTVDVYPALLCZ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420308627 192211729 /nfs/dbraw/zinc/21/17/29/192211729.db2.gz DAQHXNWZTIYRLR-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420308627 192211731 /nfs/dbraw/zinc/21/17/31/192211731.db2.gz DAQHXNWZTIYRLR-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420316521 192212946 /nfs/dbraw/zinc/21/29/46/192212946.db2.gz SXBCNARQJQBLGU-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420316523 192212983 /nfs/dbraw/zinc/21/29/83/192212983.db2.gz SXBCNARQJQBLGU-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368275 192225815 /nfs/dbraw/zinc/22/58/15/192225815.db2.gz HYFUISVWYGQKOI-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP NC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000043497618 181269892 /nfs/dbraw/zinc/26/98/92/181269892.db2.gz QPLMTCHMWWDONA-LLVKDONJSA-N 2 1 225.336 0.183 20 0 BCADMP CCC[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000420371132 192228554 /nfs/dbraw/zinc/22/85/54/192228554.db2.gz ZQARNJYWRHNLJW-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP CCC[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000420371132 192228556 /nfs/dbraw/zinc/22/85/56/192228556.db2.gz ZQARNJYWRHNLJW-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP COC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420327259 192229543 /nfs/dbraw/zinc/22/95/43/192229543.db2.gz YAEQNDRCRUQGDS-JTQLQIEISA-N 2 1 202.298 0.513 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420327070 192229846 /nfs/dbraw/zinc/22/98/46/192229846.db2.gz CSZYHVKVZOCBLP-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420327070 192229848 /nfs/dbraw/zinc/22/98/48/192229848.db2.gz CSZYHVKVZOCBLP-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328443 192230133 /nfs/dbraw/zinc/23/01/33/192230133.db2.gz MNHRDHZHCVZLLC-NEPJUHHUSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CC[N@H+](CCN)CC(C)C ZINC000420357549 192219160 /nfs/dbraw/zinc/21/91/60/192219160.db2.gz IDPCGBWQZXWVLW-UHFFFAOYSA-N 2 1 202.298 0.466 20 0 BCADMP COC(=O)CC[N@H+](CC[NH3+])CC(C)C ZINC000420357549 192219164 /nfs/dbraw/zinc/21/91/64/192219164.db2.gz IDPCGBWQZXWVLW-UHFFFAOYSA-N 2 1 202.298 0.466 20 0 BCADMP COC(=O)CC[N@@H+](CC[NH3+])CC(C)C ZINC000420357549 192219168 /nfs/dbraw/zinc/21/91/68/192219168.db2.gz IDPCGBWQZXWVLW-UHFFFAOYSA-N 2 1 202.298 0.466 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@H](C)O ZINC000352193741 134098231 /nfs/dbraw/zinc/09/82/31/134098231.db2.gz FLKWXAHGPXWVFD-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@H](C)O ZINC000352193741 134098232 /nfs/dbraw/zinc/09/82/32/134098232.db2.gz FLKWXAHGPXWVFD-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420363678 192224443 /nfs/dbraw/zinc/22/44/43/192224443.db2.gz PTPUQRDOOWBGRS-RKDXNWHRSA-N 2 1 200.282 0.361 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420363678 192224446 /nfs/dbraw/zinc/22/44/46/192224446.db2.gz PTPUQRDOOWBGRS-RKDXNWHRSA-N 2 1 200.282 0.361 20 0 BCADMP COC(=O)CCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420368108 192225065 /nfs/dbraw/zinc/22/50/65/192225065.db2.gz TZSSSWYERZLQEA-SECBINFHSA-N 2 1 216.325 0.903 20 0 BCADMP CC[N@@H+]1CCN(CCc2c[nH+]cn2C)C[C@@H]1C ZINC000639546114 356410291 /nfs/dbraw/zinc/41/02/91/356410291.db2.gz CEABSKLGTVJRHN-LBPRGKRZSA-N 2 1 236.363 0.989 20 0 BCADMP CC[N@H+]1CCN(CCc2c[nH+]cn2C)C[C@@H]1C ZINC000639546114 356410292 /nfs/dbraw/zinc/41/02/92/356410292.db2.gz CEABSKLGTVJRHN-LBPRGKRZSA-N 2 1 236.363 0.989 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000300406728 356414752 /nfs/dbraw/zinc/41/47/52/356414752.db2.gz BGJPUERENPFPBQ-WCQYABFASA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000420396845 192236895 /nfs/dbraw/zinc/23/68/95/192236895.db2.gz WIVNQVXCTFNIDX-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCN1CCO[C@@H](C)C1 ZINC000420396845 192236897 /nfs/dbraw/zinc/23/68/97/192236897.db2.gz WIVNQVXCTFNIDX-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCCN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000420396845 192236899 /nfs/dbraw/zinc/23/68/99/192236899.db2.gz WIVNQVXCTFNIDX-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCCN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000420396845 192236901 /nfs/dbraw/zinc/23/69/01/192236901.db2.gz WIVNQVXCTFNIDX-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP Cn1c[nH+]cc1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000639549720 356418163 /nfs/dbraw/zinc/41/81/63/356418163.db2.gz SKNSJHMFUZXQBO-UHFFFAOYSA-N 2 1 231.303 0.744 20 0 BCADMP Cn1c[nH+]cc1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000639549720 356418166 /nfs/dbraw/zinc/41/81/66/356418166.db2.gz SKNSJHMFUZXQBO-UHFFFAOYSA-N 2 1 231.303 0.744 20 0 BCADMP CC[C@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482604 356425068 /nfs/dbraw/zinc/42/50/68/356425068.db2.gz CDQAOFTZYVEVBU-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CCOCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375123 192232071 /nfs/dbraw/zinc/23/20/71/192232071.db2.gz SPUYDLNMBUUWBZ-GARJFASQSA-N 2 1 200.326 0.999 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1CCCC1=O ZINC000420373510 192232252 /nfs/dbraw/zinc/23/22/52/192232252.db2.gz RGAKHXGRAHSOFL-NTZNESFSSA-N 2 1 239.363 0.585 20 0 BCADMP CCN1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000420380869 192233458 /nfs/dbraw/zinc/23/34/58/192233458.db2.gz WYBMOSYAYHHDQW-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379987 192233545 /nfs/dbraw/zinc/23/35/45/192233545.db2.gz BYDVGSCPTJIJLJ-OLZOCXBDSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379987 192233548 /nfs/dbraw/zinc/23/35/48/192233548.db2.gz BYDVGSCPTJIJLJ-OLZOCXBDSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000420377376 192233644 /nfs/dbraw/zinc/23/36/44/192233644.db2.gz WFNXIQQIFKCPIY-WZRBSPASSA-N 2 1 236.363 0.939 20 0 BCADMP CC[N@@H+]1CCN(CCc2c[nH+]cn2C)C[C@H]1C ZINC000639546113 356409348 /nfs/dbraw/zinc/40/93/48/356409348.db2.gz CEABSKLGTVJRHN-GFCCVEGCSA-N 2 1 236.363 0.989 20 0 BCADMP CC[N@H+]1CCN(CCc2c[nH+]cn2C)C[C@H]1C ZINC000639546113 356409353 /nfs/dbraw/zinc/40/93/53/356409353.db2.gz CEABSKLGTVJRHN-GFCCVEGCSA-N 2 1 236.363 0.989 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1CCc1cncn1C ZINC000639551696 356437288 /nfs/dbraw/zinc/43/72/88/356437288.db2.gz NBCSTGRJLJCKFJ-KOLCDFICSA-N 2 1 209.293 0.418 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412392 356483292 /nfs/dbraw/zinc/48/32/92/356483292.db2.gz NEUYQFLDSSDPKS-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019511329 356484442 /nfs/dbraw/zinc/48/44/42/356484442.db2.gz KLHMAELHTCGRPJ-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336170602 134114885 /nfs/dbraw/zinc/11/48/85/134114885.db2.gz PGJSWCLANFUSSI-ZJUUUORDSA-N 2 1 208.309 0.936 20 0 BCADMP CC[C@H](N[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780775 202034017 /nfs/dbraw/zinc/03/40/17/202034017.db2.gz VOZHCVBSFJVVSS-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780775 202034022 /nfs/dbraw/zinc/03/40/22/202034022.db2.gz VOZHCVBSFJVVSS-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000336213115 134135735 /nfs/dbraw/zinc/13/57/35/134135735.db2.gz CVVVXOIPVGCNDZ-UWVGGRQHSA-N 2 1 237.347 0.609 20 0 BCADMP Cn1cncc1CC[N@@H+](C)CC(C)(C)CO ZINC000639658873 356567110 /nfs/dbraw/zinc/56/71/10/356567110.db2.gz KSEKAOJAYMMGNE-UHFFFAOYSA-N 2 1 225.336 0.913 20 0 BCADMP CC[C@H](CO)[N@@H+](C)CCc1cncn1C ZINC000639658699 356567400 /nfs/dbraw/zinc/56/74/00/356567400.db2.gz CGUKSMJPSRNQBE-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP CC(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639660918 356570949 /nfs/dbraw/zinc/57/09/49/356570949.db2.gz WRICZPGKIBKETJ-LBPRGKRZSA-N 2 1 210.321 0.993 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627194578 363491470 /nfs/dbraw/zinc/49/14/70/363491470.db2.gz XZHDZPKCERRKGU-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639664965 356579554 /nfs/dbraw/zinc/57/95/54/356579554.db2.gz DZMVKJVPUZSYJV-VXGBXAGGSA-N 2 1 239.319 0.356 20 0 BCADMP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000088287451 356654938 /nfs/dbraw/zinc/65/49/38/356654938.db2.gz DKPQBCVOXKNAPJ-PHIMTYICSA-N 2 1 218.304 0.749 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000168046759 134155821 /nfs/dbraw/zinc/15/58/21/134155821.db2.gz NXTQIZIAUYVSGG-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000168046759 134155822 /nfs/dbraw/zinc/15/58/22/134155822.db2.gz NXTQIZIAUYVSGG-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CC2)C1 ZINC000639760034 356674965 /nfs/dbraw/zinc/67/49/65/356674965.db2.gz AQOGGYSBICMKNS-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CC2)C1 ZINC000639760034 356674968 /nfs/dbraw/zinc/67/49/68/356674968.db2.gz AQOGGYSBICMKNS-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CC2)C1 ZINC000639760032 356675330 /nfs/dbraw/zinc/67/53/30/356675330.db2.gz AQOGGYSBICMKNS-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CC2)C1 ZINC000639760032 356675335 /nfs/dbraw/zinc/67/53/35/356675335.db2.gz AQOGGYSBICMKNS-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@@H](C[N@H+]1CCC[C@](O)(CN(C)C)C1)OC ZINC000639760864 356675696 /nfs/dbraw/zinc/67/56/96/356675696.db2.gz BWKPDESOHXDBRN-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)OC ZINC000639760864 356675699 /nfs/dbraw/zinc/67/56/99/356675699.db2.gz BWKPDESOHXDBRN-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167678410 134153718 /nfs/dbraw/zinc/15/37/18/134153718.db2.gz QHEVVPLKUDQDTG-MNOVXSKESA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167663106 134153922 /nfs/dbraw/zinc/15/39/22/134153922.db2.gz OHDKTMPFDNBLBX-VWYCJHECSA-N 2 1 227.352 0.380 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@@H]1C ZINC000578140199 366319629 /nfs/dbraw/zinc/31/96/29/366319629.db2.gz BYHRTRNWHNQTPA-SRVKXCTJSA-N 2 1 230.352 0.266 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757869 356664785 /nfs/dbraw/zinc/66/47/85/356664785.db2.gz QAYHRVWVMWPHBN-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP C[NH+](C)CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000167952947 134154959 /nfs/dbraw/zinc/15/49/59/134154959.db2.gz XLJURKVNOKLVBE-LLVKDONJSA-N 2 1 233.315 0.465 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767297 356697082 /nfs/dbraw/zinc/69/70/82/356697082.db2.gz QLRQVCWHLPLZJA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767297 356697086 /nfs/dbraw/zinc/69/70/86/356697086.db2.gz QLRQVCWHLPLZJA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380838 356697642 /nfs/dbraw/zinc/69/76/42/356697642.db2.gz GPXRGGKKLHCTSG-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380838 356697643 /nfs/dbraw/zinc/69/76/43/356697643.db2.gz GPXRGGKKLHCTSG-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CO[C@H](C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769298 356708718 /nfs/dbraw/zinc/70/87/18/356708718.db2.gz XNQCPFCVRHDSOY-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769298 356708721 /nfs/dbraw/zinc/70/87/21/356708721.db2.gz XNQCPFCVRHDSOY-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000353760693 356718268 /nfs/dbraw/zinc/71/82/68/356718268.db2.gz RPXHWUWQQRGLCF-LLVKDONJSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000353787271 356719022 /nfs/dbraw/zinc/71/90/22/356719022.db2.gz PUYZUFNTUZCXHY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000353787271 356719025 /nfs/dbraw/zinc/71/90/25/356719025.db2.gz PUYZUFNTUZCXHY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000353787271 356719031 /nfs/dbraw/zinc/71/90/31/356719031.db2.gz PUYZUFNTUZCXHY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000353787268 356719438 /nfs/dbraw/zinc/71/94/38/356719438.db2.gz PUYZUFNTUZCXHY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000353787268 356719441 /nfs/dbraw/zinc/71/94/41/356719441.db2.gz PUYZUFNTUZCXHY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000353787268 356719445 /nfs/dbraw/zinc/71/94/45/356719445.db2.gz PUYZUFNTUZCXHY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339628 356737816 /nfs/dbraw/zinc/73/78/16/356737816.db2.gz HECBHVONJNSFMX-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339628 356737818 /nfs/dbraw/zinc/73/78/18/356737818.db2.gz HECBHVONJNSFMX-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339760 356737961 /nfs/dbraw/zinc/73/79/61/356737961.db2.gz JFXHABYANVRSSK-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339760 356737964 /nfs/dbraw/zinc/73/79/64/356737964.db2.gz JFXHABYANVRSSK-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000357245137 356820223 /nfs/dbraw/zinc/82/02/23/356820223.db2.gz UTHLTOQVBPLNMX-NEPJUHHUSA-N 2 1 241.379 0.675 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358519845 356870650 /nfs/dbraw/zinc/87/06/50/356870650.db2.gz GRRXVFIPSXWBQY-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP CC[NH+]1CCC(NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358252849 356864791 /nfs/dbraw/zinc/86/47/91/356864791.db2.gz OAJPWQCCFJKRGX-ZDUSSCGKSA-N 2 1 241.379 0.127 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC000563361093 491105038 /nfs/dbraw/zinc/10/50/38/491105038.db2.gz BEXCRYJAQXKURC-LLVKDONJSA-N 2 1 230.352 0.192 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@]1(CO)CCOC1 ZINC000359579252 356891828 /nfs/dbraw/zinc/89/18/28/356891828.db2.gz JMJMUZRRARTJCX-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@]1(CO)CCOC1 ZINC000359579252 356891831 /nfs/dbraw/zinc/89/18/31/356891831.db2.gz JMJMUZRRARTJCX-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@]1(CO)CCOC1 ZINC000359579252 356891835 /nfs/dbraw/zinc/89/18/35/356891835.db2.gz JMJMUZRRARTJCX-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@]1(CO)CCOC1 ZINC000359579252 356891839 /nfs/dbraw/zinc/89/18/39/356891839.db2.gz JMJMUZRRARTJCX-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000336672049 491105458 /nfs/dbraw/zinc/10/54/58/491105458.db2.gz GKDNENYNNRAESI-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000369170337 356983331 /nfs/dbraw/zinc/98/33/31/356983331.db2.gz AUVPGGOQWARENP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000369170337 356983334 /nfs/dbraw/zinc/98/33/34/356983334.db2.gz AUVPGGOQWARENP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000369170337 356983337 /nfs/dbraw/zinc/98/33/37/356983337.db2.gz AUVPGGOQWARENP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+]CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000418114711 356953558 /nfs/dbraw/zinc/95/35/58/356953558.db2.gz MGMPILQINPHFPS-NSHDSACASA-N 2 1 240.351 0.261 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1C ZINC000156229292 538773753 /nfs/dbraw/zinc/77/37/53/538773753.db2.gz VGABKGIPKLHBBG-NWDGAFQWSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@@H]1CO ZINC000639871928 357039438 /nfs/dbraw/zinc/03/94/38/357039438.db2.gz MHEDWEKRFZDYTC-CHWSQXEVSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)C[C@@H]1CO ZINC000639871928 357039440 /nfs/dbraw/zinc/03/94/40/357039440.db2.gz MHEDWEKRFZDYTC-CHWSQXEVSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639871928 357039441 /nfs/dbraw/zinc/03/94/41/357039441.db2.gz MHEDWEKRFZDYTC-CHWSQXEVSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2(CCC2)C1 ZINC000582306426 357043015 /nfs/dbraw/zinc/04/30/15/357043015.db2.gz OQCZNWOLYYQZKZ-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CN1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000623393654 357003147 /nfs/dbraw/zinc/00/31/47/357003147.db2.gz MXQYWATUXDOYSM-MNOVXSKESA-N 2 1 239.363 0.680 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CCCOC ZINC000389707650 357017724 /nfs/dbraw/zinc/01/77/24/357017724.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN(C)CCCOC ZINC000389707650 357017727 /nfs/dbraw/zinc/01/77/27/357017727.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)CCCOC ZINC000389707650 357017731 /nfs/dbraw/zinc/01/77/31/357017731.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCOC ZINC000389707650 357017734 /nfs/dbraw/zinc/01/77/34/357017734.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCOC ZINC000389707650 357017738 /nfs/dbraw/zinc/01/77/38/357017738.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCOC ZINC000389707650 357017741 /nfs/dbraw/zinc/01/77/41/357017741.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCOC ZINC000389707650 357017744 /nfs/dbraw/zinc/01/77/44/357017744.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000390466636 357094194 /nfs/dbraw/zinc/09/41/94/357094194.db2.gz ARPGMTXMMHDTIW-JQWIXIFHSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000390466636 357094197 /nfs/dbraw/zinc/09/41/97/357094197.db2.gz ARPGMTXMMHDTIW-JQWIXIFHSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390679240 357114270 /nfs/dbraw/zinc/11/42/70/357114270.db2.gz WREYLYKUGVLJQU-SCVCMEIPSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390679240 357114274 /nfs/dbraw/zinc/11/42/74/357114274.db2.gz WREYLYKUGVLJQU-SCVCMEIPSA-N 2 1 230.352 0.191 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000392383419 357150328 /nfs/dbraw/zinc/15/03/28/357150328.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 1 237.351 0.585 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698203 535356249 /nfs/dbraw/zinc/35/62/49/535356249.db2.gz LREBMKWKTPISTH-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698203 535356252 /nfs/dbraw/zinc/35/62/52/535356252.db2.gz LREBMKWKTPISTH-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000582490294 357319635 /nfs/dbraw/zinc/31/96/35/357319635.db2.gz ACPHNMAPTHDRNC-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493138 357320636 /nfs/dbraw/zinc/32/06/36/357320636.db2.gz XWEUEPRZMAAYHQ-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493137 357320651 /nfs/dbraw/zinc/32/06/51/357320651.db2.gz XWEUEPRZMAAYHQ-SDDRHHMPSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000582540655 357338261 /nfs/dbraw/zinc/33/82/61/357338261.db2.gz OAMQTKKRBPIREK-OOCWMUITSA-N 2 1 237.347 0.465 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000394479669 357351089 /nfs/dbraw/zinc/35/10/89/357351089.db2.gz CNCGXUKUQLIBBR-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000394479669 357351095 /nfs/dbraw/zinc/35/10/95/357351095.db2.gz CNCGXUKUQLIBBR-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000394479669 357351099 /nfs/dbraw/zinc/35/10/99/357351099.db2.gz CNCGXUKUQLIBBR-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP O[C@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376871 357434046 /nfs/dbraw/zinc/43/40/46/357434046.db2.gz PWDISCAJOUOXQF-VOAKCMCISA-N 2 1 224.348 0.831 20 0 BCADMP O[C@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395376871 357434052 /nfs/dbraw/zinc/43/40/52/357434052.db2.gz PWDISCAJOUOXQF-VOAKCMCISA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(CO)CC1)C1CC1 ZINC000395850523 357458221 /nfs/dbraw/zinc/45/82/21/357458221.db2.gz LSYIHEQVZMWYJA-GFCCVEGCSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1(CO)CC1)C1CC1 ZINC000395850523 357458225 /nfs/dbraw/zinc/45/82/25/357458225.db2.gz LSYIHEQVZMWYJA-GFCCVEGCSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771987 491112624 /nfs/dbraw/zinc/11/26/24/491112624.db2.gz STHNFRXHDIYIJL-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC[NH+](CC(=O)NCC[N@H+](C)CC)C1CC1 ZINC000132430534 325215914 /nfs/dbraw/zinc/21/59/14/325215914.db2.gz UQEOUXLUYNGAQT-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000232015900 357637996 /nfs/dbraw/zinc/63/79/96/357637996.db2.gz LQBUWMWOHOQPGB-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000583273624 357791697 /nfs/dbraw/zinc/79/16/97/357791697.db2.gz WIMCFCXPSJPELI-BXKDBHETSA-N 2 1 225.336 0.147 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000583273624 357791707 /nfs/dbraw/zinc/79/17/07/357791707.db2.gz WIMCFCXPSJPELI-BXKDBHETSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000192105894 357823071 /nfs/dbraw/zinc/82/30/71/357823071.db2.gz WANAKIFZQQNHHY-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000168505161 134225301 /nfs/dbraw/zinc/22/53/01/134225301.db2.gz SEUGNCRJFHNAFQ-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000168505161 134225302 /nfs/dbraw/zinc/22/53/02/134225302.db2.gz SEUGNCRJFHNAFQ-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP COC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000234862176 357838525 /nfs/dbraw/zinc/83/85/25/357838525.db2.gz AFRWYXMFIYRWMM-GFCCVEGCSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170882 134224652 /nfs/dbraw/zinc/22/46/52/134224652.db2.gz ARMKGDSNDKKUJS-QWRGUYRKSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170882 134224653 /nfs/dbraw/zinc/22/46/53/134224653.db2.gz ARMKGDSNDKKUJS-QWRGUYRKSA-N 2 1 222.336 0.979 20 0 BCADMP [NH3+][C@H](C(=O)NCC[N@@H+]1CC=CCC1)C1CCC1 ZINC000399052733 357894701 /nfs/dbraw/zinc/89/47/01/357894701.db2.gz WCTWMRMGGUWTJN-LBPRGKRZSA-N 2 1 237.347 0.492 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398645744 357889201 /nfs/dbraw/zinc/88/92/01/357889201.db2.gz WYLVDWMINFGXIN-GMXVVIOVSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398645744 357889203 /nfs/dbraw/zinc/88/92/03/357889203.db2.gz WYLVDWMINFGXIN-GMXVVIOVSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399082183 357895845 /nfs/dbraw/zinc/89/58/45/357895845.db2.gz SJTNNHGZFJYXED-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CC1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000399232689 357899347 /nfs/dbraw/zinc/89/93/47/357899347.db2.gz GNMFUAMGGQBELF-SNVBAGLBSA-N 2 1 237.347 0.196 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000584474990 357991108 /nfs/dbraw/zinc/99/11/08/357991108.db2.gz PRKGYIYDSLUGPG-GHMZBOCLSA-N 2 1 246.376 0.168 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000334458325 491118897 /nfs/dbraw/zinc/11/88/97/491118897.db2.gz JVSMCMGEHPNNTC-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815520 358013691 /nfs/dbraw/zinc/01/36/91/358013691.db2.gz SJCAHVFPEPQXLA-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000613659534 363599081 /nfs/dbraw/zinc/59/90/81/363599081.db2.gz ALSWVNOFCKPYCV-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065695 358153801 /nfs/dbraw/zinc/15/38/01/358153801.db2.gz ZSRIVVNBRVZYDB-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065696 358153980 /nfs/dbraw/zinc/15/39/80/358153980.db2.gz ZSRIVVNBRVZYDB-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576588 181295534 /nfs/dbraw/zinc/29/55/34/181295534.db2.gz HNYFRPUJVGXLMN-BETUJISGSA-N 2 1 245.326 0.437 20 0 BCADMP NC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576588 181295535 /nfs/dbraw/zinc/29/55/35/181295535.db2.gz HNYFRPUJVGXLMN-BETUJISGSA-N 2 1 245.326 0.437 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225480694 358301146 /nfs/dbraw/zinc/30/11/46/358301146.db2.gz ZSVVJKNOVIULRY-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225480694 358301149 /nfs/dbraw/zinc/30/11/49/358301149.db2.gz ZSVVJKNOVIULRY-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225713318 358331510 /nfs/dbraw/zinc/33/15/10/358331510.db2.gz AMIQBOVPCKCZJV-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP C[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000227089518 358348826 /nfs/dbraw/zinc/34/88/26/358348826.db2.gz RIEWLORSLQZEGB-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538896 358389390 /nfs/dbraw/zinc/38/93/90/358389390.db2.gz RWYFXNVGNQFAJG-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000044538745 358390185 /nfs/dbraw/zinc/39/01/85/358390185.db2.gz WPGGNRSQEOXZPR-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726829 358392663 /nfs/dbraw/zinc/39/26/63/358392663.db2.gz HIAKJRCWKUSBOS-SNVBAGLBSA-N 2 1 223.320 0.091 20 0 BCADMP CO[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000230316191 358397552 /nfs/dbraw/zinc/39/75/52/358397552.db2.gz KJXZPWAMAMHHED-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000086270688 358567078 /nfs/dbraw/zinc/56/70/78/358567078.db2.gz LJAWZFOCMUHUOJ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000129957638 358603019 /nfs/dbraw/zinc/60/30/19/358603019.db2.gz BKWOIULJLSIDFI-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000129957854 358603215 /nfs/dbraw/zinc/60/32/15/358603215.db2.gz BKWOIULJLSIDFI-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H](C[NH+](C)C)Nc1cc[nH+]c(N(C)C)n1 ZINC000130611915 358637247 /nfs/dbraw/zinc/63/72/47/358637247.db2.gz CTXDTPCKCGSQKY-SECBINFHSA-N 2 1 223.324 0.905 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249200 358721981 /nfs/dbraw/zinc/72/19/81/358721981.db2.gz YPLWCFLAWWUWHX-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249200 358721982 /nfs/dbraw/zinc/72/19/82/358721982.db2.gz YPLWCFLAWWUWHX-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132910274 358739214 /nfs/dbraw/zinc/73/92/14/358739214.db2.gz VVJQTHGYTYXNMY-GHMZBOCLSA-N 2 1 225.336 0.468 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132926894 358739226 /nfs/dbraw/zinc/73/92/26/358739226.db2.gz OUZCBRTVRAXPCX-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974592 358741231 /nfs/dbraw/zinc/74/12/31/358741231.db2.gz MNCNNPRXMOZKPN-UTUOFQBUSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000578240108 366468329 /nfs/dbraw/zinc/46/83/29/366468329.db2.gz HOXJHKLGBVDTNR-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000578244453 366469977 /nfs/dbraw/zinc/46/99/77/366469977.db2.gz PCQZJTJQQATRBW-SSDOTTSWSA-N 2 1 235.278 0.227 20 0 BCADMP NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134860284 358808824 /nfs/dbraw/zinc/80/88/24/358808824.db2.gz IWKRNLBKSBHNAT-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054128999 358854570 /nfs/dbraw/zinc/85/45/70/358854570.db2.gz ZWLHLHXAAAMGPT-NSHDSACASA-N 2 1 229.368 0.674 20 0 BCADMP COC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061477 134297314 /nfs/dbraw/zinc/29/73/14/134297314.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061477 134297315 /nfs/dbraw/zinc/29/73/15/134297315.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061477 134297316 /nfs/dbraw/zinc/29/73/16/134297316.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061477 134297317 /nfs/dbraw/zinc/29/73/17/134297317.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 2 1 228.336 0.964 20 0 BCADMP CN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402725 358966995 /nfs/dbraw/zinc/96/69/95/358966995.db2.gz OATUVQZPPOPFEH-CMPLNLGQSA-N 2 1 211.353 0.940 20 0 BCADMP Cn1ccnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404160 358967940 /nfs/dbraw/zinc/96/79/40/358967940.db2.gz KDKDMLXJPYVIHF-UWVGGRQHSA-N 2 1 208.309 0.780 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177838543 134303681 /nfs/dbraw/zinc/30/36/81/134303681.db2.gz RNKNOBUKEQSHPR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177838543 134303682 /nfs/dbraw/zinc/30/36/82/134303682.db2.gz RNKNOBUKEQSHPR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177838543 134303683 /nfs/dbraw/zinc/30/36/83/134303683.db2.gz RNKNOBUKEQSHPR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247009366 359183228 /nfs/dbraw/zinc/18/32/28/359183228.db2.gz QHQGYKRQQMCZLD-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247009366 359183230 /nfs/dbraw/zinc/18/32/30/359183230.db2.gz QHQGYKRQQMCZLD-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247009366 359183235 /nfs/dbraw/zinc/18/32/35/359183235.db2.gz QHQGYKRQQMCZLD-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246522760 359143739 /nfs/dbraw/zinc/14/37/39/359143739.db2.gz IWKRNLBKSBHNAT-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000379609505 359566212 /nfs/dbraw/zinc/56/62/12/359566212.db2.gz SHFKVNCYYWLTOG-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000379609505 359566217 /nfs/dbraw/zinc/56/62/17/359566217.db2.gz SHFKVNCYYWLTOG-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423840445 192839594 /nfs/dbraw/zinc/83/95/94/192839594.db2.gz DZSSKZIKBDKREK-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454901 359616001 /nfs/dbraw/zinc/61/60/01/359616001.db2.gz SZUJMUSPYWWFGH-NXEZZACHSA-N 2 1 227.352 0.713 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC(C)(C)[NH+](C)C ZINC000623466595 359670071 /nfs/dbraw/zinc/67/00/71/359670071.db2.gz DSTVJZOTXQUQKQ-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP COC[C@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309118630 491145114 /nfs/dbraw/zinc/14/51/14/491145114.db2.gz SBLGEVYNVASZBA-GXSJLCMTSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309118630 491145115 /nfs/dbraw/zinc/14/51/15/491145115.db2.gz SBLGEVYNVASZBA-GXSJLCMTSA-N 2 1 216.325 0.066 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+]C2(CO)CC2)CC1(C)C ZINC000623471485 359876425 /nfs/dbraw/zinc/87/64/25/359876425.db2.gz AMUASDODXPIQFT-SNVBAGLBSA-N 2 1 212.337 0.974 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C2(CO)CC2)CC1(C)C ZINC000623471485 359876428 /nfs/dbraw/zinc/87/64/28/359876428.db2.gz AMUASDODXPIQFT-SNVBAGLBSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000578617010 366608951 /nfs/dbraw/zinc/60/89/51/366608951.db2.gz HYOOUIUCQDUYOS-FRRDWIJNSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000578877897 366664637 /nfs/dbraw/zinc/66/46/37/366664637.db2.gz KZLOFSLOKUTXAJ-BDAKNGLRSA-N 2 1 249.305 0.475 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868055 366662223 /nfs/dbraw/zinc/66/22/23/366662223.db2.gz OBDSILKYCFJVMO-AGIUHOORSA-N 2 1 241.379 0.376 20 0 BCADMP O=C(NCCN1CCC1)[C@H]1CCc2[nH]cnc2C1 ZINC000612844586 360107242 /nfs/dbraw/zinc/10/72/42/360107242.db2.gz UEQMSPKDKFUXMN-JTQLQIEISA-N 2 1 248.330 0.337 20 0 BCADMP O=C(NCCN1CCC1)[C@H]1CCc2nc[nH]c2C1 ZINC000612844586 360107245 /nfs/dbraw/zinc/10/72/45/360107245.db2.gz UEQMSPKDKFUXMN-JTQLQIEISA-N 2 1 248.330 0.337 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000095428222 360337203 /nfs/dbraw/zinc/33/72/03/360337203.db2.gz STZFYGUCVHXJNW-GFCCVEGCSA-N 2 1 249.314 0.671 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623478365 360433990 /nfs/dbraw/zinc/43/39/90/360433990.db2.gz JGZHPDWSQYRHIY-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000060470550 360473806 /nfs/dbraw/zinc/47/38/06/360473806.db2.gz NKBHXAJPAHFVHY-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000626945046 360525224 /nfs/dbraw/zinc/52/52/24/360525224.db2.gz DTIBUZLWUWTFSK-HBNTYKKESA-N 2 1 240.351 0.130 20 0 BCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631100523 360537723 /nfs/dbraw/zinc/53/77/23/360537723.db2.gz XGZIHGHFBJCCQX-LBPRGKRZSA-N 2 1 239.319 0.189 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000628648645 360596915 /nfs/dbraw/zinc/59/69/15/360596915.db2.gz JVIOZZNJJIPUPB-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000628648645 360596921 /nfs/dbraw/zinc/59/69/21/360596921.db2.gz JVIOZZNJJIPUPB-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP [NH3+]CCCOCC[NH2+]Cc1cscn1 ZINC000629399748 361050613 /nfs/dbraw/zinc/05/06/13/361050613.db2.gz VRBPXRRUWVNEHM-UHFFFAOYSA-N 2 1 215.322 0.598 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000629408895 361058189 /nfs/dbraw/zinc/05/81/89/361058189.db2.gz AXYINMFMNVBZLU-HBNTYKKESA-N 2 1 209.337 0.563 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000629521483 361117698 /nfs/dbraw/zinc/11/76/98/361117698.db2.gz SWSFQNVSVGQOKA-GXSJLCMTSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000629521483 361117700 /nfs/dbraw/zinc/11/77/00/361117700.db2.gz SWSFQNVSVGQOKA-GXSJLCMTSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629519616 361119177 /nfs/dbraw/zinc/11/91/77/361119177.db2.gz DVLDIWJCWKBQBC-NEPJUHHUSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]1C[N@@H+](CCOC2CCOCC2)CC[C@@H]1[NH3+] ZINC000629510264 361107115 /nfs/dbraw/zinc/10/71/15/361107115.db2.gz PDHDLIHDOQNCTF-AAEUAGOBSA-N 2 1 242.363 0.851 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000629510536 361108446 /nfs/dbraw/zinc/10/84/46/361108446.db2.gz CLUYGXDYSGQNMP-JTQLQIEISA-N 2 1 223.324 0.387 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629510536 361108453 /nfs/dbraw/zinc/10/84/53/361108453.db2.gz CLUYGXDYSGQNMP-JTQLQIEISA-N 2 1 223.324 0.387 20 0 BCADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000361738907 181324022 /nfs/dbraw/zinc/32/40/22/181324022.db2.gz FYOFBDPWYAEAHR-SRVKXCTJSA-N 2 1 249.358 0.420 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000629516545 361115506 /nfs/dbraw/zinc/11/55/06/361115506.db2.gz JUOJRSAUIYVFKN-VXGBXAGGSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000629531325 361148913 /nfs/dbraw/zinc/14/89/13/361148913.db2.gz HNZLWEQFOQDAQD-NEPJUHHUSA-N 3 1 229.368 0.343 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000629531364 361149263 /nfs/dbraw/zinc/14/92/63/361149263.db2.gz IIZSIOVCFMAWIK-VXGBXAGGSA-N 2 1 229.368 0.472 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629531364 361149269 /nfs/dbraw/zinc/14/92/69/361149269.db2.gz IIZSIOVCFMAWIK-VXGBXAGGSA-N 2 1 229.368 0.472 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532433 361153213 /nfs/dbraw/zinc/15/32/13/361153213.db2.gz AOHXBFCWRAPGBI-WOPDTQHZSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1COCCN1C)[C@H]1CCC[NH2+]1 ZINC000629532426 361153340 /nfs/dbraw/zinc/15/33/40/361153340.db2.gz AOHXBFCWRAPGBI-GRYCIOLGSA-N 2 1 227.352 0.047 20 0 BCADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629525605 361125639 /nfs/dbraw/zinc/12/56/39/361125639.db2.gz XMMOFIJKEWEUNF-SECBINFHSA-N 2 1 238.335 0.877 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000629525737 361127153 /nfs/dbraw/zinc/12/71/53/361127153.db2.gz AIQMHOOTUJQKIP-YFKTTZPYSA-N 2 1 211.353 0.667 20 0 BCADMP OC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000629534097 361164170 /nfs/dbraw/zinc/16/41/70/361164170.db2.gz LVJSGTKLISBYAP-NEPJUHHUSA-N 2 1 240.347 0.212 20 0 BCADMP OC1(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000629534097 361164177 /nfs/dbraw/zinc/16/41/77/361164177.db2.gz LVJSGTKLISBYAP-NEPJUHHUSA-N 2 1 240.347 0.212 20 0 BCADMP C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000579004871 366692693 /nfs/dbraw/zinc/69/26/93/366692693.db2.gz SWOCIGTTZQJVCX-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP O[C@@]12C[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000640482995 361258046 /nfs/dbraw/zinc/25/80/46/361258046.db2.gz UINGQJFVUOTFOW-CHWSQXEVSA-N 2 1 224.348 0.929 20 0 BCADMP O[C@@]12C[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000640482995 361258049 /nfs/dbraw/zinc/25/80/49/361258049.db2.gz UINGQJFVUOTFOW-CHWSQXEVSA-N 2 1 224.348 0.929 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640482130 361267606 /nfs/dbraw/zinc/26/76/06/361267606.db2.gz PRCNSPJINOPDDJ-VXGBXAGGSA-N 2 1 221.304 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640482130 361267610 /nfs/dbraw/zinc/26/76/10/361267610.db2.gz PRCNSPJINOPDDJ-VXGBXAGGSA-N 2 1 221.304 0.648 20 0 BCADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(N)=O ZINC000640530756 361302402 /nfs/dbraw/zinc/30/24/02/361302402.db2.gz CHPFXSLNHNJLRF-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000579229571 366739449 /nfs/dbraw/zinc/73/94/49/366739449.db2.gz JBELVLOMCLUJIE-HBNTYKKESA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnccc1N ZINC000622044967 370674121 /nfs/dbraw/zinc/67/41/21/370674121.db2.gz YXDBVQKZFGSQQC-IUCAKERBSA-N 2 1 208.309 0.882 20 0 BCADMP C[C@H]([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000622045390 370680181 /nfs/dbraw/zinc/68/01/81/370680181.db2.gz QYOVQNXLTALIMF-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000622045390 370680184 /nfs/dbraw/zinc/68/01/84/370680184.db2.gz QYOVQNXLTALIMF-SRVKXCTJSA-N 3 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000622045390 370680185 /nfs/dbraw/zinc/68/01/85/370680185.db2.gz QYOVQNXLTALIMF-SRVKXCTJSA-N 3 1 211.353 0.940 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)C ZINC000428966488 201055769 /nfs/dbraw/zinc/05/57/69/201055769.db2.gz KJNGSTIWKVHTBY-UHFFFAOYSA-N 2 1 201.314 0.006 20 0 BCADMP C[C@@H]([NH3+])CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429030689 201060464 /nfs/dbraw/zinc/06/04/64/201060464.db2.gz RVPQVZXHTBYWED-MXWKQRLJSA-N 2 1 227.352 0.713 20 0 BCADMP COC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000036754325 361394786 /nfs/dbraw/zinc/39/47/86/361394786.db2.gz XMVLUUNBMOTQAT-UHFFFAOYSA-N 2 1 200.282 0.363 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429189621 201078057 /nfs/dbraw/zinc/07/80/57/201078057.db2.gz CLKJHOKHHVAMDN-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189007 201078457 /nfs/dbraw/zinc/07/84/57/201078457.db2.gz ATRJMORIIAZFKA-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C ZINC000429233207 201079986 /nfs/dbraw/zinc/07/99/86/201079986.db2.gz CUBIDZXGXQSUNR-SNVBAGLBSA-N 2 1 215.341 0.300 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000429454395 201109005 /nfs/dbraw/zinc/10/90/05/201109005.db2.gz TXKZJABWEKOZMS-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000429468799 201110432 /nfs/dbraw/zinc/11/04/32/201110432.db2.gz LGBRJHWOMPWBOZ-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP Cc1noc(CCC[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000579354818 366766965 /nfs/dbraw/zinc/76/69/65/366766965.db2.gz NDMRHPIFMMIJNX-LLVKDONJSA-N 2 1 238.335 0.981 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000629538828 361403945 /nfs/dbraw/zinc/40/39/45/361403945.db2.gz LHRASNYROWZWAK-UTUOFQBUSA-N 2 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538828 361403946 /nfs/dbraw/zinc/40/39/46/361403946.db2.gz LHRASNYROWZWAK-UTUOFQBUSA-N 3 1 229.368 0.470 20 0 BCADMP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])no1 ZINC000629535592 361410500 /nfs/dbraw/zinc/41/05/00/361410500.db2.gz CVCTZVURGPLUHL-SNVBAGLBSA-N 2 1 227.308 0.999 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429552117 201115671 /nfs/dbraw/zinc/11/56/71/201115671.db2.gz IALWHJAWVRJFPM-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP N[C@H]1CCCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629540169 361414636 /nfs/dbraw/zinc/41/46/36/361414636.db2.gz UULOKZPHONCQEM-NWDGAFQWSA-N 2 1 229.368 0.601 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629540169 361414641 /nfs/dbraw/zinc/41/46/41/361414641.db2.gz UULOKZPHONCQEM-NWDGAFQWSA-N 2 1 229.368 0.601 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2(C)C)C[NH2+]1 ZINC000629534987 361408285 /nfs/dbraw/zinc/40/82/85/361408285.db2.gz BJIDHDBZRKWUIE-VWYCJHECSA-N 2 1 239.363 0.774 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCOCC1 ZINC000629545748 361426969 /nfs/dbraw/zinc/42/69/69/361426969.db2.gz QRHDOHSBRLBZPV-CYZMBNFOSA-N 2 1 242.363 0.768 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545582 361427041 /nfs/dbraw/zinc/42/70/41/361427041.db2.gz LNVCOBQLLFRRMD-GARJFASQSA-N 3 1 215.341 0.080 20 0 BCADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547654 361431260 /nfs/dbraw/zinc/43/12/60/361431260.db2.gz UXWCDQXWXBNOKM-VHSXEESVSA-N 2 1 207.277 0.757 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C1C[NH2+]C1 ZINC000629555874 361449143 /nfs/dbraw/zinc/44/91/43/361449143.db2.gz HKJPTCXVLCLWAZ-SKDRFNHKSA-N 2 1 237.347 0.337 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000629555064 361435157 /nfs/dbraw/zinc/43/51/57/361435157.db2.gz QTZFGUMLBZWQTJ-YFKTTZPYSA-N 2 1 212.337 0.999 20 0 BCADMP C1C[C@@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629553614 361438950 /nfs/dbraw/zinc/43/89/50/361438950.db2.gz BMVSODYCIXCVSY-NNYUYHANSA-N 2 1 209.337 0.326 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551156 361444058 /nfs/dbraw/zinc/44/40/58/361444058.db2.gz RRVPKEYWBUVIMU-WUHRBBMRSA-N 2 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000629551156 361444065 /nfs/dbraw/zinc/44/40/65/361444065.db2.gz RRVPKEYWBUVIMU-WUHRBBMRSA-N 2 1 241.379 0.423 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541603 361416490 /nfs/dbraw/zinc/41/64/90/361416490.db2.gz RVJVSKZFMJTSRG-QWHCGFSZSA-N 3 1 243.395 0.672 20 0 BCADMP CCN1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541603 361416491 /nfs/dbraw/zinc/41/64/91/361416491.db2.gz RVJVSKZFMJTSRG-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCOC(C)C ZINC000629568368 361460674 /nfs/dbraw/zinc/46/06/74/361460674.db2.gz UGAXUIFDNZLXQF-UHFFFAOYSA-N 2 1 218.341 0.579 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629567877 361460901 /nfs/dbraw/zinc/46/09/01/361460901.db2.gz PYXXLZIOQXZIMB-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629567877 361460905 /nfs/dbraw/zinc/46/09/05/361460905.db2.gz PYXXLZIOQXZIMB-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCn1cccn1 ZINC000629569752 361461795 /nfs/dbraw/zinc/46/17/95/361461795.db2.gz FFJHWSVUQCXDPI-UHFFFAOYSA-N 2 1 226.324 0.051 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@@H]1C ZINC000629572402 361463747 /nfs/dbraw/zinc/46/37/47/361463747.db2.gz RTSYVEXJZASIES-WDEREUQCSA-N 2 1 200.326 0.810 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000629572401 361463968 /nfs/dbraw/zinc/46/39/68/361463968.db2.gz RTSYVEXJZASIES-QWRGUYRKSA-N 2 1 200.326 0.810 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000629580404 361465327 /nfs/dbraw/zinc/46/53/27/361465327.db2.gz AUHGDIQQCGDNQV-JTQLQIEISA-N 2 1 220.288 0.022 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000629580404 361465330 /nfs/dbraw/zinc/46/53/30/361465330.db2.gz AUHGDIQQCGDNQV-JTQLQIEISA-N 2 1 220.288 0.022 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629576565 361465553 /nfs/dbraw/zinc/46/55/53/361465553.db2.gz APMFICZVVYDDCG-LLVKDONJSA-N 2 1 245.367 0.149 20 0 BCADMP Cc1cnccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629580379 361466519 /nfs/dbraw/zinc/46/65/19/361466519.db2.gz ABKBWRYBMCGFBY-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP Cc1noc(CCC[N@H+](C)CCOCC[NH3+])n1 ZINC000629577804 361467338 /nfs/dbraw/zinc/46/73/38/361467338.db2.gz JGTZDGGMIREMGI-UHFFFAOYSA-N 2 1 242.323 0.218 20 0 BCADMP CCn1cc(CC[N@@H+](C)CCOCC[NH3+])cn1 ZINC000629581342 361470878 /nfs/dbraw/zinc/47/08/78/361470878.db2.gz WTERVVCJEDBSQO-UHFFFAOYSA-N 2 1 240.351 0.353 20 0 BCADMP Cc1ccncc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581110 361471051 /nfs/dbraw/zinc/47/10/51/361471051.db2.gz NMEFQFNPCSWTFJ-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP Cc1nc([C@@H](C)N(C)CCOCC[NH3+])n[nH]1 ZINC000629581029 361471069 /nfs/dbraw/zinc/47/10/69/361471069.db2.gz KFYTWHAFEHDIMH-MRVPVSSYSA-N 2 1 227.312 0.081 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCCCO1 ZINC000629581373 361471396 /nfs/dbraw/zinc/47/13/96/361471396.db2.gz YLDLTZSZIZTWMV-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430951129 201159820 /nfs/dbraw/zinc/15/98/20/201159820.db2.gz UGFTWLCLTRHEKT-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430951129 201159823 /nfs/dbraw/zinc/15/98/23/201159823.db2.gz UGFTWLCLTRHEKT-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629595546 361482313 /nfs/dbraw/zinc/48/23/13/361482313.db2.gz SACJWTSROJTROL-STQMWFEESA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1C(=O)CCC1=O ZINC000433501693 201187209 /nfs/dbraw/zinc/18/72/09/201187209.db2.gz GBLNHUKAHVYDGR-LBPRGKRZSA-N 2 1 241.335 0.098 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC=CC1)C1CC1 ZINC000629609936 361497804 /nfs/dbraw/zinc/49/78/04/361497804.db2.gz XUHXNHPXHHRATR-ZDUSSCGKSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC=CC1)C1CC1 ZINC000629609936 361497809 /nfs/dbraw/zinc/49/78/09/361497809.db2.gz XUHXNHPXHHRATR-ZDUSSCGKSA-N 2 1 224.348 0.997 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1C ZINC000152349152 201196872 /nfs/dbraw/zinc/19/68/72/201196872.db2.gz YXYPRBJFDSXKAH-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC[N@H+]1C ZINC000152349152 201196875 /nfs/dbraw/zinc/19/68/75/201196875.db2.gz YXYPRBJFDSXKAH-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629653184 361552964 /nfs/dbraw/zinc/55/29/64/361552964.db2.gz HSTSBYPFUDMAGI-OLZOCXBDSA-N 3 1 243.395 0.542 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1c[nH]nc1C ZINC000629653491 361553260 /nfs/dbraw/zinc/55/32/60/361553260.db2.gz OQMXQRSBZKOGCQ-UHFFFAOYSA-N 2 1 226.324 0.386 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC(C)(C)COC ZINC000629653653 361553338 /nfs/dbraw/zinc/55/33/38/361553338.db2.gz LBWSRDMMRCZENX-UHFFFAOYSA-N 2 1 232.368 0.827 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000629654376 361554896 /nfs/dbraw/zinc/55/48/96/361554896.db2.gz QAOPRYNAOMZYST-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629651523 361557424 /nfs/dbraw/zinc/55/74/24/361557424.db2.gz IWXBFEQDQHIHDX-LLVKDONJSA-N 2 1 210.321 0.874 20 0 BCADMP COCc1ccc(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000629661638 361594980 /nfs/dbraw/zinc/59/49/80/361594980.db2.gz BXTRHQASMVICRF-UHFFFAOYSA-N 2 1 242.319 0.833 20 0 BCADMP Cc1c[nH]nc1C[NH2+]CCOCCC[NH3+] ZINC000629677973 361600302 /nfs/dbraw/zinc/60/03/02/361600302.db2.gz JUAXAHYKBKIJKR-UHFFFAOYSA-N 2 1 212.297 0.173 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000434697414 201233175 /nfs/dbraw/zinc/23/31/75/201233175.db2.gz ONEBIJKOORCXIB-JBLDHEPKSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434712115 201235672 /nfs/dbraw/zinc/23/56/72/201235672.db2.gz UEDDKRYXIAPOLE-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CCC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000435869739 201290917 /nfs/dbraw/zinc/29/09/17/201290917.db2.gz KRYDDOWIIJTOGJ-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP C[C@H]1[NH2+]CCN(CCC[NH+]2CCOCC2)[C@H]1C ZINC000436067723 201308884 /nfs/dbraw/zinc/30/88/84/201308884.db2.gz URUGZSTUVVICNG-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000435876019 201294169 /nfs/dbraw/zinc/29/41/69/201294169.db2.gz GJLICEBSXIJROR-LLVKDONJSA-N 2 1 222.336 0.819 20 0 BCADMP [NH3+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261990583 181349448 /nfs/dbraw/zinc/34/94/48/181349448.db2.gz OYNXLWVMGKGVBU-LLVKDONJSA-N 2 1 237.278 0.257 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332036626 181357620 /nfs/dbraw/zinc/35/76/20/181357620.db2.gz SUWZQBHLVDHWAC-RKDXNWHRSA-N 2 1 221.295 0.830 20 0 BCADMP CC[NH+](CC)Cc1cn([C@@H](C)C[NH3+])nn1 ZINC000630591782 364306344 /nfs/dbraw/zinc/30/63/44/364306344.db2.gz GNCRRPYLTRUADN-VIFPVBQESA-N 2 1 211.313 0.640 20 0 BCADMP c1c(C[NH+]2CCCCC2)nnn1CC1C[NH2+]C1 ZINC000630613784 364348979 /nfs/dbraw/zinc/34/89/79/364348979.db2.gz MMGIADAXAMYAJB-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP [NH3+]CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773973 181367079 /nfs/dbraw/zinc/36/70/79/181367079.db2.gz QBSVPYRWUXJCSE-TUAOUCFPSA-N 2 1 237.347 0.278 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615310748 364685417 /nfs/dbraw/zinc/68/54/17/364685417.db2.gz XUXYPARZLJGXNB-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH+]1CCN(C[C@H](O)C[N@H+]2CCC2(C)C)CC1 ZINC000573403969 364824238 /nfs/dbraw/zinc/82/42/38/364824238.db2.gz WAEGYSXLVGLJLD-LBPRGKRZSA-N 2 1 241.379 0.079 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000573485987 364844155 /nfs/dbraw/zinc/84/41/55/364844155.db2.gz TZBHIPHSHLAJMG-GFCCVEGCSA-N 2 1 239.363 0.753 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000573485987 364844159 /nfs/dbraw/zinc/84/41/59/364844159.db2.gz TZBHIPHSHLAJMG-GFCCVEGCSA-N 2 1 239.363 0.753 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573487234 364845557 /nfs/dbraw/zinc/84/55/57/364845557.db2.gz BNMDTEZGNLUQRJ-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000573584110 364868890 /nfs/dbraw/zinc/86/88/90/364868890.db2.gz VPEXGZUWAGNDDU-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000573685011 364892448 /nfs/dbraw/zinc/89/24/48/364892448.db2.gz UPRVKOURFFPXDA-RKDXNWHRSA-N 2 1 238.339 0.330 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000154387324 541417252 /nfs/dbraw/zinc/41/72/52/541417252.db2.gz FAXPTYBCOPHMQV-DGCLKSJQSA-N 3 1 243.395 0.229 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[N@H+]1C ZINC000573962619 364954807 /nfs/dbraw/zinc/95/48/07/364954807.db2.gz LYHRFDBTUFYFGP-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038398 364972867 /nfs/dbraw/zinc/97/28/67/364972867.db2.gz COGYRUHUXBZZOV-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000368430160 181381829 /nfs/dbraw/zinc/38/18/29/181381829.db2.gz UAGKVQKPOAHDNF-GHMZBOCLSA-N 2 1 225.336 0.326 20 0 BCADMP [NH3+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000368430163 181382584 /nfs/dbraw/zinc/38/25/84/181382584.db2.gz UAGKVQKPOAHDNF-WDEREUQCSA-N 2 1 225.336 0.326 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC)C1 ZINC000574410799 365056721 /nfs/dbraw/zinc/05/67/21/365056721.db2.gz WEOLBUISWYKYIS-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC)C1 ZINC000574410799 365056725 /nfs/dbraw/zinc/05/67/25/365056725.db2.gz WEOLBUISWYKYIS-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(CC)C1 ZINC000574410799 365056728 /nfs/dbraw/zinc/05/67/28/365056728.db2.gz WEOLBUISWYKYIS-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(CC)C1 ZINC000574410799 365056733 /nfs/dbraw/zinc/05/67/33/365056733.db2.gz WEOLBUISWYKYIS-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC)C1 ZINC000574410800 365057029 /nfs/dbraw/zinc/05/70/29/365057029.db2.gz WEOLBUISWYKYIS-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC)C1 ZINC000574410800 365057033 /nfs/dbraw/zinc/05/70/33/365057033.db2.gz WEOLBUISWYKYIS-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000574410800 365057040 /nfs/dbraw/zinc/05/70/40/365057040.db2.gz WEOLBUISWYKYIS-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(CC)C1 ZINC000574410800 365057045 /nfs/dbraw/zinc/05/70/45/365057045.db2.gz WEOLBUISWYKYIS-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574454134 365066159 /nfs/dbraw/zinc/06/61/59/365066159.db2.gz QGCGETLXGOLIMU-GRYCIOLGSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000574281929 365027666 /nfs/dbraw/zinc/02/76/66/365027666.db2.gz YZYWPXZIPVMLGK-YFKTTZPYSA-N 2 1 239.363 0.665 20 0 BCADMP [NH3+]CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000037039725 181392393 /nfs/dbraw/zinc/39/23/93/181392393.db2.gz HJNGYUWHFXDQHL-UHFFFAOYSA-N 2 1 211.353 0.895 20 0 BCADMP [NH3+]CCN[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000044365011 181396399 /nfs/dbraw/zinc/39/63/99/181396399.db2.gz XKFQWRBTGQQPEP-AWEZNQCLSA-N 2 1 233.359 0.852 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000443060345 193012403 /nfs/dbraw/zinc/01/24/03/193012403.db2.gz OVFVMELVWJEIRO-GFCCVEGCSA-N 2 1 239.363 0.670 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000575069195 365187708 /nfs/dbraw/zinc/18/77/08/365187708.db2.gz QGQVUPQPJMZRGT-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@H]1O ZINC000575069195 365187715 /nfs/dbraw/zinc/18/77/15/365187715.db2.gz QGQVUPQPJMZRGT-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@H]1O ZINC000575069195 365187720 /nfs/dbraw/zinc/18/77/20/365187720.db2.gz QGQVUPQPJMZRGT-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000575069195 365187724 /nfs/dbraw/zinc/18/77/24/365187724.db2.gz QGQVUPQPJMZRGT-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444164617 193037822 /nfs/dbraw/zinc/03/78/22/193037822.db2.gz GDGSOMRTVARXLM-DGCLKSJQSA-N 2 1 239.363 0.442 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]1 ZINC000444177212 193039231 /nfs/dbraw/zinc/03/92/31/193039231.db2.gz SZSQZGSEQNWFMN-HBNTYKKESA-N 2 1 223.320 0.091 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000444180231 193039673 /nfs/dbraw/zinc/03/96/73/193039673.db2.gz HDBWDEWVJIQZOX-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000444168554 193040282 /nfs/dbraw/zinc/04/02/82/193040282.db2.gz PCSQAVOPNWGIFV-OBJOEFQTSA-N 2 1 249.358 0.293 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188195 193041836 /nfs/dbraw/zinc/04/18/36/193041836.db2.gz UJDKMVHJNLJKOD-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444257667 193043011 /nfs/dbraw/zinc/04/30/11/193043011.db2.gz FGWJXMZQQVUOBJ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1=CCCOC1)C1CC1 ZINC000379779711 365255698 /nfs/dbraw/zinc/25/56/98/365255698.db2.gz WHHQCCREYXVIAY-ZDUSSCGKSA-N 2 1 240.347 0.378 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1=CCCOC1)C1CC1 ZINC000379779711 365255703 /nfs/dbraw/zinc/25/57/03/365255703.db2.gz WHHQCCREYXVIAY-ZDUSSCGKSA-N 2 1 240.347 0.378 20 0 BCADMP CC(C)=CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379813867 365278600 /nfs/dbraw/zinc/27/86/00/365278600.db2.gz QODRPHMTTUFPJN-GFCCVEGCSA-N 2 1 212.337 0.997 20 0 BCADMP CC(C)=CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379813867 365278602 /nfs/dbraw/zinc/27/86/02/365278602.db2.gz QODRPHMTTUFPJN-GFCCVEGCSA-N 2 1 212.337 0.997 20 0 BCADMP O=C(CC[NH2+]C1CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000575934092 365420648 /nfs/dbraw/zinc/42/06/48/365420648.db2.gz CNSGZJOPKUWDBZ-SECBINFHSA-N 2 1 247.289 0.194 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602895 366901185 /nfs/dbraw/zinc/90/11/85/366901185.db2.gz XHGMVVNSVTXQRM-VXGBXAGGSA-N 3 1 229.368 0.018 20 0 BCADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352177783 541479957 /nfs/dbraw/zinc/47/99/57/541479957.db2.gz GBSFAHGQVGHOHW-LLVKDONJSA-N 2 1 248.330 0.695 20 0 BCADMP O=C(CCc1cnc[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352177783 541479962 /nfs/dbraw/zinc/47/99/62/541479962.db2.gz GBSFAHGQVGHOHW-LLVKDONJSA-N 2 1 248.330 0.695 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000579818114 367021097 /nfs/dbraw/zinc/02/10/97/367021097.db2.gz LPLSHQOTXXKHJY-LBPRGKRZSA-N 2 1 230.352 0.723 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000579818114 367021105 /nfs/dbraw/zinc/02/11/05/367021105.db2.gz LPLSHQOTXXKHJY-LBPRGKRZSA-N 2 1 230.352 0.723 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@]2(CO)CCOC2)CC1 ZINC000184196659 367069584 /nfs/dbraw/zinc/06/95/84/367069584.db2.gz NMGIJRMNFYUIKV-CYBMUJFWSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000579952977 367099745 /nfs/dbraw/zinc/09/97/45/367099745.db2.gz XXRTYMAEKFIGBD-NSHDSACASA-N 2 1 230.352 0.194 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](C)CC1 ZINC000622285278 370822011 /nfs/dbraw/zinc/82/20/11/370822011.db2.gz IUEFSRIDPDRGTP-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000581126897 367269586 /nfs/dbraw/zinc/26/95/86/367269586.db2.gz FXEXJDRHGOEKIZ-GFCCVEGCSA-N 2 1 241.379 0.819 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H](O)CN(C)CC ZINC000381105008 367349763 /nfs/dbraw/zinc/34/97/63/367349763.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[N@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000381105008 367349778 /nfs/dbraw/zinc/34/97/78/367349778.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000381105008 367349783 /nfs/dbraw/zinc/34/97/83/367349783.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[NH+](CCO)C[C@@H](O)C[N@H+](C)CC ZINC000381105008 367349791 /nfs/dbraw/zinc/34/97/91/367349791.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CCCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000381105008 367349795 /nfs/dbraw/zinc/34/97/95/367349795.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000581190023 367288668 /nfs/dbraw/zinc/28/86/68/367288668.db2.gz PAIFZQHCBKOAJB-GXTWGEPZSA-N 2 1 249.358 0.364 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000381245568 367370937 /nfs/dbraw/zinc/37/09/37/367370937.db2.gz NCIWFSKTSKEYHD-PWSUYJOCSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000381245568 367370941 /nfs/dbraw/zinc/37/09/41/367370941.db2.gz NCIWFSKTSKEYHD-PWSUYJOCSA-N 2 1 228.336 0.210 20 0 BCADMP [NH3+]CC[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000581436540 367471085 /nfs/dbraw/zinc/47/10/85/367471085.db2.gz QYXXNFRNNYLMHO-SECBINFHSA-N 2 1 249.305 0.558 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381651785 367444097 /nfs/dbraw/zinc/44/40/97/367444097.db2.gz DGEANMLBCQINHI-PHIMTYICSA-N 2 1 225.336 0.006 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186820 367496424 /nfs/dbraw/zinc/49/64/24/367496424.db2.gz HCOOTCNJKGDFRC-LOWDOPEQSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186820 367496431 /nfs/dbraw/zinc/49/64/31/367496431.db2.gz HCOOTCNJKGDFRC-LOWDOPEQSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836784 367561434 /nfs/dbraw/zinc/56/14/34/367561434.db2.gz PKYHRDKXDOKMSI-STQMWFEESA-N 3 1 243.395 0.494 20 0 BCADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836784 367561439 /nfs/dbraw/zinc/56/14/39/367561439.db2.gz PKYHRDKXDOKMSI-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000382976440 367578417 /nfs/dbraw/zinc/57/84/17/367578417.db2.gz SPOYODNJHOZELX-SCVCMEIPSA-N 2 1 239.363 0.726 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000382976434 367578611 /nfs/dbraw/zinc/57/86/11/367578611.db2.gz SPOYODNJHOZELX-JFGNBEQYSA-N 2 1 239.363 0.726 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000383141377 367600606 /nfs/dbraw/zinc/60/06/06/367600606.db2.gz JXOAGOQXEVHOCN-ONGXEEELSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000383203755 367607270 /nfs/dbraw/zinc/60/72/70/367607270.db2.gz XLWIDRNFXMRHMP-VIFPVBQESA-N 2 1 225.336 0.337 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000383487964 367627003 /nfs/dbraw/zinc/62/70/03/367627003.db2.gz AHLJBIZXAAUJLM-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000383487964 367627009 /nfs/dbraw/zinc/62/70/09/367627009.db2.gz AHLJBIZXAAUJLM-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383301362 367612307 /nfs/dbraw/zinc/61/23/07/367612307.db2.gz HQKMKFLNNHYSPR-ZYHUDNBSSA-N 2 1 239.363 0.727 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@H+](C)CCOC ZINC000383637688 367645687 /nfs/dbraw/zinc/64/56/87/367645687.db2.gz YRDODQJIJJLMCZ-LLVKDONJSA-N 2 1 241.335 0.385 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)CCOC ZINC000383637688 367645691 /nfs/dbraw/zinc/64/56/91/367645691.db2.gz YRDODQJIJJLMCZ-LLVKDONJSA-N 2 1 241.335 0.385 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COC(C)C ZINC000383743168 367651269 /nfs/dbraw/zinc/65/12/69/367651269.db2.gz CQKVTVDOSBTZTB-GFCCVEGCSA-N 2 1 241.335 0.567 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000383813086 367654310 /nfs/dbraw/zinc/65/43/10/367654310.db2.gz VRZYXLTZWSOEPZ-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000581887140 367878287 /nfs/dbraw/zinc/87/82/87/367878287.db2.gz FXNYITFFBMHSPI-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP C([C@H]1CCCOC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385395750 367824857 /nfs/dbraw/zinc/82/48/57/367824857.db2.gz UNYCCLAANBUHCD-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@H]1CCCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385395750 367824860 /nfs/dbraw/zinc/82/48/60/367824860.db2.gz UNYCCLAANBUHCD-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1cccnc1)C1CC1 ZINC000386123806 367915618 /nfs/dbraw/zinc/91/56/18/367915618.db2.gz MXLXIYXSWWLCOE-AWEZNQCLSA-N 2 1 249.358 0.669 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cccnc1)C1CC1 ZINC000386123806 367915621 /nfs/dbraw/zinc/91/56/21/367915621.db2.gz MXLXIYXSWWLCOE-AWEZNQCLSA-N 2 1 249.358 0.669 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386140090 367920562 /nfs/dbraw/zinc/92/05/62/367920562.db2.gz QHYQETVYYBALEO-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)O ZINC000581892181 367882771 /nfs/dbraw/zinc/88/27/71/367882771.db2.gz DNEDZGLMHBOKQL-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)O ZINC000581892181 367882773 /nfs/dbraw/zinc/88/27/73/367882773.db2.gz DNEDZGLMHBOKQL-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000581892181 367882778 /nfs/dbraw/zinc/88/27/78/367882778.db2.gz DNEDZGLMHBOKQL-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000581892181 367882783 /nfs/dbraw/zinc/88/27/83/367882783.db2.gz DNEDZGLMHBOKQL-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP [NH3+]CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000566303566 326030944 /nfs/dbraw/zinc/03/09/44/326030944.db2.gz CIPGXTUQUVUFHI-UHFFFAOYSA-N 2 1 225.361 0.824 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC(C[NH+](C)C)C2)CC[N@H+]1C ZINC000615502803 368078169 /nfs/dbraw/zinc/07/81/69/368078169.db2.gz QEQQKLUBZVIYJE-ZYHUDNBSSA-N 2 1 239.363 0.347 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510497 368083889 /nfs/dbraw/zinc/08/38/89/368083889.db2.gz KRMQTZIVWGHOJC-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000582010403 368149814 /nfs/dbraw/zinc/14/98/14/368149814.db2.gz YRXGGMJSUYBWBG-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000582010403 368149815 /nfs/dbraw/zinc/14/98/15/368149815.db2.gz YRXGGMJSUYBWBG-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000566716912 326076319 /nfs/dbraw/zinc/07/63/19/326076319.db2.gz PZHVXPAGQQSXCB-QWHCGFSZSA-N 2 1 243.395 0.183 20 0 BCADMP COC[C@@H]1CCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000567179850 326130378 /nfs/dbraw/zinc/13/03/78/326130378.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243847 203026600 /nfs/dbraw/zinc/02/66/00/203026600.db2.gz QFAYUCDZIDZHJW-GHMZBOCLSA-N 2 1 241.379 0.641 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000457203879 203019610 /nfs/dbraw/zinc/01/96/10/203019610.db2.gz IZKUZVZCTOYTIG-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631822333 368976296 /nfs/dbraw/zinc/97/62/96/368976296.db2.gz ZNWDNMJVARYKHA-MXWKQRLJSA-N 2 1 235.335 0.435 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000631822492 368978892 /nfs/dbraw/zinc/97/88/92/368978892.db2.gz FTWAOOVLEIHVTP-ONGXEEELSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000631822492 368978897 /nfs/dbraw/zinc/97/88/97/368978897.db2.gz FTWAOOVLEIHVTP-ONGXEEELSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837273 369095551 /nfs/dbraw/zinc/09/55/51/369095551.db2.gz QMBRGXJYFHNQBJ-WISYIIOYSA-N 2 1 212.337 0.938 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383452 326180147 /nfs/dbraw/zinc/18/01/47/326180147.db2.gz AGXPSBIKCDBZMN-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000457747612 203097081 /nfs/dbraw/zinc/09/70/81/203097081.db2.gz VLWXWCKGZCDFEN-PWSUYJOCSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000457747612 203097084 /nfs/dbraw/zinc/09/70/84/203097084.db2.gz VLWXWCKGZCDFEN-PWSUYJOCSA-N 2 1 239.363 0.393 20 0 BCADMP C[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000618546841 369168556 /nfs/dbraw/zinc/16/85/56/369168556.db2.gz ILMZESCBKHPMKZ-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840880 369311969 /nfs/dbraw/zinc/31/19/69/369311969.db2.gz VSCOAATYTSFOGK-UPJWGTAASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC000405427172 369459485 /nfs/dbraw/zinc/45/94/85/369459485.db2.gz HWZJCMGKDWSAPI-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@](C)([NH2+]CCCc1c[nH+]cn1C)C(N)=O ZINC000314390247 326298885 /nfs/dbraw/zinc/29/88/85/326298885.db2.gz STHCWUSFWGBFFR-LBPRGKRZSA-N 2 1 238.335 0.596 20 0 BCADMP C[C@H](NC(=O)[C@@H]1CCCN1C)c1nccn1C ZINC000620599542 369949299 /nfs/dbraw/zinc/94/92/99/369949299.db2.gz GDXSMKIDQXGCLB-UWVGGRQHSA-N 2 1 236.319 0.692 20 0 BCADMP C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000568153751 326314051 /nfs/dbraw/zinc/31/40/51/326314051.db2.gz VIXJBEQGQYUBDQ-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000568153751 326314053 /nfs/dbraw/zinc/31/40/53/326314053.db2.gz VIXJBEQGQYUBDQ-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000620902976 370050843 /nfs/dbraw/zinc/05/08/43/370050843.db2.gz DKRQUWAOMSSXKM-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176743 370155968 /nfs/dbraw/zinc/15/59/68/370155968.db2.gz QAKWGDWYLJOSCB-JQWIXIFHSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)C)C1 ZINC000568208102 326326275 /nfs/dbraw/zinc/32/62/75/326326275.db2.gz VAIYECHIVKYXLW-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP c1ncn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310572247 370353443 /nfs/dbraw/zinc/35/34/43/370353443.db2.gz OJUKWTQRBHUGAW-TXEJJXNPSA-N 2 1 235.335 0.210 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621693575 370441635 /nfs/dbraw/zinc/44/16/35/370441635.db2.gz YDWKPPNDACBFIF-AAEUAGOBSA-N 2 1 239.363 0.666 20 0 BCADMP CCn1nccc1CC[N@@H+](C)CCC[NH2+]C ZINC000621776700 370526344 /nfs/dbraw/zinc/52/63/44/370526344.db2.gz SZGYDPWMYLDJOV-UHFFFAOYSA-N 2 1 224.352 0.987 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000621782504 370532371 /nfs/dbraw/zinc/53/23/71/370532371.db2.gz PVTNDFCIIWNMTK-SRVKXCTJSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccnc2)CCCO1 ZINC000313347154 370581315 /nfs/dbraw/zinc/58/13/15/370581315.db2.gz JXHRYUMMPCOFEO-CYBMUJFWSA-N 2 1 235.331 0.674 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccnc2)CCCO1 ZINC000313347154 370581319 /nfs/dbraw/zinc/58/13/19/370581319.db2.gz JXHRYUMMPCOFEO-CYBMUJFWSA-N 2 1 235.331 0.674 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000568974824 326384134 /nfs/dbraw/zinc/38/41/34/326384134.db2.gz AVRAVWQVDHMXFN-GFCCVEGCSA-N 2 1 245.342 0.535 20 0 BCADMP [NH3+]CC[C@H]1CCCCN1Cc1noc(C[NH3+])n1 ZINC000569221439 326395682 /nfs/dbraw/zinc/39/56/82/326395682.db2.gz ITOWXRTUASCRLM-SECBINFHSA-N 2 1 239.323 0.232 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCCO1 ZINC000623960920 371198629 /nfs/dbraw/zinc/19/86/29/371198629.db2.gz MCOIDYKDJVIRBW-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000623960920 371198638 /nfs/dbraw/zinc/19/86/38/371198638.db2.gz MCOIDYKDJVIRBW-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCCO1 ZINC000623960921 371199167 /nfs/dbraw/zinc/19/91/67/371199167.db2.gz MCOIDYKDJVIRBW-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000623960921 371199170 /nfs/dbraw/zinc/19/91/70/371199170.db2.gz MCOIDYKDJVIRBW-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1C ZINC000624219013 371407822 /nfs/dbraw/zinc/40/78/22/371407822.db2.gz IMDQSPQNGIAMSO-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000627474952 371641959 /nfs/dbraw/zinc/64/19/59/371641959.db2.gz BTFOLCOJUSLFQR-JTQLQIEISA-N 2 1 238.335 0.505 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631219168 372242629 /nfs/dbraw/zinc/24/26/29/372242629.db2.gz LUZSLZYYOJRCLK-SECBINFHSA-N 2 1 222.279 0.686 20 0 BCADMP C[NH+](C)CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000171178326 372420738 /nfs/dbraw/zinc/42/07/38/372420738.db2.gz NGJVOJXHQTVWJO-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000171199291 372459247 /nfs/dbraw/zinc/45/92/47/372459247.db2.gz LOIVEFRBDAXZPQ-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)C1CC[NH2+]CC1 ZINC000631820875 372593069 /nfs/dbraw/zinc/59/30/69/372593069.db2.gz IWPQOQXIYXUWIH-NSHDSACASA-N 2 1 235.335 0.449 20 0 BCADMP c1nc2n(n1)[C@H](C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000631823433 372600029 /nfs/dbraw/zinc/60/00/29/372600029.db2.gz DNKUOXFUICSKDO-AAEUAGOBSA-N 2 1 247.346 0.451 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828843 372608928 /nfs/dbraw/zinc/60/89/28/372608928.db2.gz ZUIAANGCMZJLGM-IJLUTSLNSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828845 372611364 /nfs/dbraw/zinc/61/13/64/372611364.db2.gz ZUIAANGCMZJLGM-WOPDTQHZSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000631829621 372611430 /nfs/dbraw/zinc/61/14/30/372611430.db2.gz WHYUPSGIEMQMJQ-QTAHKJALSA-N 2 1 210.321 0.835 20 0 BCADMP COC[C@H](C[N@@H+]1CCCCC[C@@H]([NH3+])C1)OC ZINC000631835008 372620103 /nfs/dbraw/zinc/62/01/03/372620103.db2.gz KIVRXQSDZNREEV-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)OC ZINC000631835008 372620108 /nfs/dbraw/zinc/62/01/08/372620108.db2.gz KIVRXQSDZNREEV-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835142 372621441 /nfs/dbraw/zinc/62/14/41/372621441.db2.gz NISWZPMYGPLYSX-NSHDSACASA-N 3 1 215.341 0.165 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835142 372621444 /nfs/dbraw/zinc/62/14/44/372621444.db2.gz NISWZPMYGPLYSX-NSHDSACASA-N 3 1 215.341 0.165 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000631836848 372625753 /nfs/dbraw/zinc/62/57/53/372625753.db2.gz HYKRDTOHVAYECA-VHSXEESVSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000631836848 372625755 /nfs/dbraw/zinc/62/57/55/372625755.db2.gz HYKRDTOHVAYECA-VHSXEESVSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838374 372629190 /nfs/dbraw/zinc/62/91/90/372629190.db2.gz NEQAOBYSCUDFFD-ZYHUDNBSSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837681 372629243 /nfs/dbraw/zinc/62/92/43/372629243.db2.gz VRUCXGFRLGALLN-FRRDWIJNSA-N 2 1 241.379 0.234 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000631837597 372630421 /nfs/dbraw/zinc/63/04/21/372630421.db2.gz DBNJILZRRVXBDG-MWLCHTKSSA-N 2 1 225.336 0.039 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000631837597 372630422 /nfs/dbraw/zinc/63/04/22/372630422.db2.gz DBNJILZRRVXBDG-MWLCHTKSSA-N 2 1 225.336 0.039 20 0 BCADMP CCCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838489 372630725 /nfs/dbraw/zinc/63/07/25/372630725.db2.gz PFUQVVSENRUQKX-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838489 372630731 /nfs/dbraw/zinc/63/07/31/372630731.db2.gz PFUQVVSENRUQKX-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP COCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840036 372636531 /nfs/dbraw/zinc/63/65/31/372636531.db2.gz OUYJDRLELVIVHW-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631841947 372639036 /nfs/dbraw/zinc/63/90/36/372639036.db2.gz SFFKLXWWAHLKHB-GHMZBOCLSA-N 2 1 225.336 0.135 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000631825205 372603901 /nfs/dbraw/zinc/60/39/01/372603901.db2.gz BZIQIVHEOZTFSE-LBPRGKRZSA-N 2 1 220.320 0.956 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000631825205 372603906 /nfs/dbraw/zinc/60/39/06/372603906.db2.gz BZIQIVHEOZTFSE-LBPRGKRZSA-N 2 1 220.320 0.956 20 0 BCADMP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000631825485 372604509 /nfs/dbraw/zinc/60/45/09/372604509.db2.gz KCQGUSDPHGJHBW-NTZNESFSSA-N 2 1 249.358 0.291 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824782 372604631 /nfs/dbraw/zinc/60/46/31/372604631.db2.gz QBDXSEYSPHXPBL-WOPDTQHZSA-N 2 1 249.362 0.825 20 0 BCADMP C[N@H+](C[C@H]1CCc2ncnn21)[C@H](C[NH3+])C1CC1 ZINC000631826842 372605272 /nfs/dbraw/zinc/60/52/72/372605272.db2.gz YHHBTCUEPNIJOW-GHMZBOCLSA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)[C@H](C[NH3+])C1CC1 ZINC000631826842 372605278 /nfs/dbraw/zinc/60/52/78/372605278.db2.gz YHHBTCUEPNIJOW-GHMZBOCLSA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)C1CC([NH3+])C1 ZINC000631826364 372605389 /nfs/dbraw/zinc/60/53/89/372605389.db2.gz LTDVHUMXEKLHGS-HWOCKDDLSA-N 2 1 221.308 0.187 20 0 BCADMP C[N@H+](C[C@H]1CCc2ncnn21)[C@@H](C[NH3+])C1CC1 ZINC000631826843 372605505 /nfs/dbraw/zinc/60/55/05/372605505.db2.gz YHHBTCUEPNIJOW-MNOVXSKESA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H](C[NH3+])C1CC1 ZINC000631826843 372605507 /nfs/dbraw/zinc/60/55/07/372605507.db2.gz YHHBTCUEPNIJOW-MNOVXSKESA-N 2 1 235.335 0.435 20 0 BCADMP Cc1cc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)n1 ZINC000631827155 372605899 /nfs/dbraw/zinc/60/58/99/372605899.db2.gz GQNCIVSGVYOETG-LBPRGKRZSA-N 2 1 237.347 0.758 20 0 BCADMP Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)n1 ZINC000631827155 372605904 /nfs/dbraw/zinc/60/59/04/372605904.db2.gz GQNCIVSGVYOETG-LBPRGKRZSA-N 2 1 237.347 0.758 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300973 374124429 /nfs/dbraw/zinc/12/44/29/374124429.db2.gz SKAZMQHWCGXAQN-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000037649600 182242839 /nfs/dbraw/zinc/24/28/39/182242839.db2.gz JHPZQRJXYCGVEL-PWSUYJOCSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000424130317 206031916 /nfs/dbraw/zinc/03/19/16/206031916.db2.gz HJXABNVMGASDLD-KKOKHZNYSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424381563 206038952 /nfs/dbraw/zinc/03/89/52/206038952.db2.gz RABJBWKWGFMBTL-NXEZZACHSA-N 3 1 235.322 0.948 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726734 182301581 /nfs/dbraw/zinc/30/15/81/182301581.db2.gz LAFKLUBSYFAUAH-GHMZBOCLSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000250895027 182302149 /nfs/dbraw/zinc/30/21/49/182302149.db2.gz YICSXTPPLUNQRY-TUAOUCFPSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000376528230 182304727 /nfs/dbraw/zinc/30/47/27/182304727.db2.gz UYYBDYOBHBEKIG-QJPTWQEYSA-N 2 1 237.347 0.339 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449598153 206099096 /nfs/dbraw/zinc/09/90/96/206099096.db2.gz AZCIIMCDOPGAAC-DTWKUNHWSA-N 2 1 201.314 0.179 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449598155 206099217 /nfs/dbraw/zinc/09/92/17/206099217.db2.gz AZCIIMCDOPGAAC-RKDXNWHRSA-N 2 1 201.314 0.179 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449598152 206099238 /nfs/dbraw/zinc/09/92/38/206099238.db2.gz AZCIIMCDOPGAAC-BDAKNGLRSA-N 2 1 201.314 0.179 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000334150655 182334514 /nfs/dbraw/zinc/33/45/14/182334514.db2.gz JJOZXLPVLHDTGL-NSHDSACASA-N 2 1 237.347 0.339 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724103 170266994 /nfs/dbraw/zinc/26/69/94/170266994.db2.gz YGJSKEHPOUFDMJ-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP NC(=O)c1coc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000522014704 259582355 /nfs/dbraw/zinc/58/23/55/259582355.db2.gz WUJVQMWJXMPMQD-ZJUUUORDSA-N 2 1 237.303 0.738 20 0 BCADMP OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413891 183056211 /nfs/dbraw/zinc/05/62/11/183056211.db2.gz IIMGOABYLYBMRS-AGIUHOORSA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413891 183056212 /nfs/dbraw/zinc/05/62/12/183056212.db2.gz IIMGOABYLYBMRS-AGIUHOORSA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413891 183056214 /nfs/dbraw/zinc/05/62/14/183056214.db2.gz IIMGOABYLYBMRS-AGIUHOORSA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413892 183056991 /nfs/dbraw/zinc/05/69/91/183056991.db2.gz IIMGOABYLYBMRS-FRRDWIJNSA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413892 183056993 /nfs/dbraw/zinc/05/69/93/183056993.db2.gz IIMGOABYLYBMRS-FRRDWIJNSA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413892 183056996 /nfs/dbraw/zinc/05/69/96/183056996.db2.gz IIMGOABYLYBMRS-FRRDWIJNSA-N 2 1 224.348 0.785 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000310448880 169008247 /nfs/dbraw/zinc/00/82/47/169008247.db2.gz ZNVVDIWBOIXQPE-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000162737305 169001986 /nfs/dbraw/zinc/00/19/86/169001986.db2.gz HETVZIFPUCIGOE-LLVKDONJSA-N 2 1 229.368 0.960 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000356888881 169067415 /nfs/dbraw/zinc/06/74/15/169067415.db2.gz UZLHTDRCGHBLDC-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000356888881 169067417 /nfs/dbraw/zinc/06/74/17/169067417.db2.gz UZLHTDRCGHBLDC-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356888881 169067420 /nfs/dbraw/zinc/06/74/20/169067420.db2.gz UZLHTDRCGHBLDC-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356888881 169067421 /nfs/dbraw/zinc/06/74/21/169067421.db2.gz UZLHTDRCGHBLDC-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000354955873 169068114 /nfs/dbraw/zinc/06/81/14/169068114.db2.gz XSFLYCXTLCEVLD-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354955873 169068116 /nfs/dbraw/zinc/06/81/16/169068116.db2.gz XSFLYCXTLCEVLD-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354955873 169068117 /nfs/dbraw/zinc/06/81/17/169068117.db2.gz XSFLYCXTLCEVLD-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357234620 169078425 /nfs/dbraw/zinc/07/84/25/169078425.db2.gz CCOAGLCFBMBQAR-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CC)C[C@H]1C ZINC000341772339 169068639 /nfs/dbraw/zinc/06/86/39/169068639.db2.gz LTJCSKKJJXHKFC-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC)C[C@H]1C ZINC000341772339 169068642 /nfs/dbraw/zinc/06/86/42/169068642.db2.gz LTJCSKKJJXHKFC-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000341772339 169068645 /nfs/dbraw/zinc/06/86/45/169068645.db2.gz LTJCSKKJJXHKFC-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341772339 169068646 /nfs/dbraw/zinc/06/86/46/169068646.db2.gz LTJCSKKJJXHKFC-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353383233 169068994 /nfs/dbraw/zinc/06/89/94/169068994.db2.gz IVVGOGWKCZXQPM-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000358554068 169069908 /nfs/dbraw/zinc/06/99/08/169069908.db2.gz HWNFJGMZPASQDF-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000355591162 169070150 /nfs/dbraw/zinc/07/01/50/169070150.db2.gz WZQDAPRRQZJVDT-UHFFFAOYSA-N 2 1 229.368 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)CC ZINC000358562222 169070273 /nfs/dbraw/zinc/07/02/73/169070273.db2.gz OKGCUBSSHXCJBW-UHFFFAOYSA-N 2 1 229.368 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000123599591 169070763 /nfs/dbraw/zinc/07/07/63/169070763.db2.gz RVSQWSYPVLHAJG-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CCOC ZINC000359256222 169071344 /nfs/dbraw/zinc/07/13/44/169071344.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CCOC ZINC000359256222 169071346 /nfs/dbraw/zinc/07/13/46/169071346.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CCOC ZINC000359256222 169071349 /nfs/dbraw/zinc/07/13/49/169071349.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357421226 169072991 /nfs/dbraw/zinc/07/29/91/169072991.db2.gz SQFICSWDJABNSK-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346135129 169075659 /nfs/dbraw/zinc/07/56/59/169075659.db2.gz CKGDHBURGSDBGV-SNVBAGLBSA-N 2 1 215.341 0.395 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236762184 169078320 /nfs/dbraw/zinc/07/83/20/169078320.db2.gz NBOBLMAOBPJGEJ-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357066795 169079583 /nfs/dbraw/zinc/07/95/83/169079583.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 2 1 243.395 0.625 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357066795 169079584 /nfs/dbraw/zinc/07/95/84/169079584.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357066795 169079586 /nfs/dbraw/zinc/07/95/86/169079586.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357066795 169079587 /nfs/dbraw/zinc/07/95/87/169079587.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357066795 169079588 /nfs/dbraw/zinc/07/95/88/169079588.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000300356400 183225360 /nfs/dbraw/zinc/22/53/60/183225360.db2.gz KZWXRZVASBCJIO-KXUCPTDWSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000300356400 183225362 /nfs/dbraw/zinc/22/53/62/183225362.db2.gz KZWXRZVASBCJIO-KXUCPTDWSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000300356400 183225365 /nfs/dbraw/zinc/22/53/65/183225365.db2.gz KZWXRZVASBCJIO-KXUCPTDWSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340290695 183210422 /nfs/dbraw/zinc/21/04/22/183210422.db2.gz NQTDKWSSWPMCGQ-RWMBFGLXSA-N 2 1 240.347 0.164 20 0 BCADMP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340290695 183210424 /nfs/dbraw/zinc/21/04/24/183210424.db2.gz NQTDKWSSWPMCGQ-RWMBFGLXSA-N 2 1 240.347 0.164 20 0 BCADMP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340290694 183210828 /nfs/dbraw/zinc/21/08/28/183210828.db2.gz NQTDKWSSWPMCGQ-JHJVBQTASA-N 2 1 240.347 0.164 20 0 BCADMP O[C@@H]1COC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340290694 183210829 /nfs/dbraw/zinc/21/08/29/183210829.db2.gz NQTDKWSSWPMCGQ-JHJVBQTASA-N 2 1 240.347 0.164 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH3+] ZINC000226407221 169120545 /nfs/dbraw/zinc/12/05/45/169120545.db2.gz XHTJNNMBIAFMIQ-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338234951 169121010 /nfs/dbraw/zinc/12/10/10/169121010.db2.gz JPCUHMABAGIWPR-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338234951 169121013 /nfs/dbraw/zinc/12/10/13/169121013.db2.gz JPCUHMABAGIWPR-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226406852 169121063 /nfs/dbraw/zinc/12/10/63/169121063.db2.gz ORXCXSAMGKXCPL-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658108 169165048 /nfs/dbraw/zinc/16/50/48/169165048.db2.gz MJEHIXAEVPFHIX-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658108 169165049 /nfs/dbraw/zinc/16/50/49/169165049.db2.gz MJEHIXAEVPFHIX-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336658108 169165051 /nfs/dbraw/zinc/16/50/51/169165051.db2.gz MJEHIXAEVPFHIX-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336658108 169165053 /nfs/dbraw/zinc/16/50/53/169165053.db2.gz MJEHIXAEVPFHIX-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378426644 169189618 /nfs/dbraw/zinc/18/96/18/169189618.db2.gz ICTIGEJBIGHDDQ-UHFFFAOYSA-N 2 1 242.363 0.556 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000370778896 169192358 /nfs/dbraw/zinc/19/23/58/169192358.db2.gz IEPPTBIGFQKALU-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000366322556 169192970 /nfs/dbraw/zinc/19/29/70/169192970.db2.gz JJQLLBMCMZEPKR-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000127029885 169193319 /nfs/dbraw/zinc/19/33/19/169193319.db2.gz QZFKHEGRVLDUQU-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000127029885 169193322 /nfs/dbraw/zinc/19/33/22/169193322.db2.gz QZFKHEGRVLDUQU-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236764538 169194115 /nfs/dbraw/zinc/19/41/15/169194115.db2.gz UOVRGKJYXDANQZ-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C ZINC000236765987 169198896 /nfs/dbraw/zinc/19/88/96/169198896.db2.gz JMFUJCAPKZXPGU-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336775812 169199697 /nfs/dbraw/zinc/19/96/97/169199697.db2.gz CTHCGNUURKXJEL-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336775812 169199698 /nfs/dbraw/zinc/19/96/98/169199698.db2.gz CTHCGNUURKXJEL-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085597 169246740 /nfs/dbraw/zinc/24/67/40/169246740.db2.gz KMKGOMRYYQFERW-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085597 169246741 /nfs/dbraw/zinc/24/67/41/169246741.db2.gz KMKGOMRYYQFERW-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000295245226 169285452 /nfs/dbraw/zinc/28/54/52/169285452.db2.gz TUSFQJDMAQOXLR-SNVBAGLBSA-N 2 1 238.335 0.696 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004614 169387977 /nfs/dbraw/zinc/38/79/77/169387977.db2.gz XPUDXSLXMNLPDD-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000036873045 169388313 /nfs/dbraw/zinc/38/83/13/169388313.db2.gz FRQZSTZLCBPSKQ-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815589 134315527 /nfs/dbraw/zinc/31/55/27/134315527.db2.gz HSDPWMBBRFGBOA-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815817 134315883 /nfs/dbraw/zinc/31/58/83/134315883.db2.gz BUSXAUUSPSUJSC-KXUCPTDWSA-N 2 1 213.325 0.275 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CCC[NH3+])C[N@H+]1C1CC1 ZINC000178867499 134315971 /nfs/dbraw/zinc/31/59/71/134315971.db2.gz KDNRQSQPUVZHGU-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226397226 134364944 /nfs/dbraw/zinc/36/49/44/134364944.db2.gz MTNSINHKECHIKY-ZJUUUORDSA-N 2 1 215.341 0.570 20 0 BCADMP C[NH+](C)CCCNC(=S)N1CC[NH+](C)CC1 ZINC000035082199 383828211 /nfs/dbraw/zinc/82/82/11/383828211.db2.gz DNYUZEXXKQYYON-UHFFFAOYSA-N 2 1 244.408 0.060 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124604 383842737 /nfs/dbraw/zinc/84/27/37/383842737.db2.gz AAOWLZRTOJKGFQ-KXUCPTDWSA-N 2 1 243.376 0.235 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840200 383847596 /nfs/dbraw/zinc/84/75/96/383847596.db2.gz BVGYKMXXKPSMJW-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1([NH3+])CC1 ZINC000237075190 383857971 /nfs/dbraw/zinc/85/79/71/383857971.db2.gz ZMGBVNUTIVDJEY-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812751 383862563 /nfs/dbraw/zinc/86/25/63/383862563.db2.gz GAUZJXQHBWPESP-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812751 383862566 /nfs/dbraw/zinc/86/25/66/383862566.db2.gz GAUZJXQHBWPESP-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C2CC2)CC1 ZINC000335876414 384055165 /nfs/dbraw/zinc/05/51/65/384055165.db2.gz VNZWNSYIUZSUCS-GXTWGEPZSA-N 2 1 249.358 0.293 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000569458848 384064201 /nfs/dbraw/zinc/06/42/01/384064201.db2.gz OCULRDLRERUFPH-NSHDSACASA-N 2 1 235.335 0.572 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000569458848 384064207 /nfs/dbraw/zinc/06/42/07/384064207.db2.gz OCULRDLRERUFPH-NSHDSACASA-N 2 1 235.335 0.572 20 0 BCADMP O=C(CCn1ccnc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000518607123 384067249 /nfs/dbraw/zinc/06/72/49/384067249.db2.gz XXJYCADZSWEYFL-NSHDSACASA-N 2 1 248.330 0.626 20 0 BCADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000358737935 384118587 /nfs/dbraw/zinc/11/85/87/384118587.db2.gz ALJDNDNTZFBVOP-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP O=C([C@@H]1CC[NH2+]C1)N1CC[NH2+]Cc2ccccc21 ZINC000294927251 384095371 /nfs/dbraw/zinc/09/53/71/384095371.db2.gz CZARECSOCFKZOA-GFCCVEGCSA-N 2 1 245.326 0.732 20 0 BCADMP C[N@@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000310226253 384128932 /nfs/dbraw/zinc/12/89/32/384128932.db2.gz GVPFZPCPERZOSH-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000310226253 384128935 /nfs/dbraw/zinc/12/89/35/384128935.db2.gz GVPFZPCPERZOSH-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CNC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000310226253 384128941 /nfs/dbraw/zinc/12/89/41/384128941.db2.gz GVPFZPCPERZOSH-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP CCc1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)[nH+]1 ZINC000304272907 384155759 /nfs/dbraw/zinc/15/57/59/384155759.db2.gz CTHGBNGIXKNJDC-GDGBQDQQSA-N 2 1 218.304 0.977 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000648138541 384162176 /nfs/dbraw/zinc/16/21/76/384162176.db2.gz KBNHOUGOCKSAHB-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000163209159 384165205 /nfs/dbraw/zinc/16/52/05/384165205.db2.gz OJSSRNKBDSNBCQ-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000163209159 384165208 /nfs/dbraw/zinc/16/52/08/384165208.db2.gz OJSSRNKBDSNBCQ-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH3+] ZINC000394304853 384166791 /nfs/dbraw/zinc/16/67/91/384166791.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 2 1 211.353 0.894 20 0 BCADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH3+] ZINC000394304853 384166793 /nfs/dbraw/zinc/16/67/93/384166793.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 2 1 211.353 0.894 20 0 BCADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH3+] ZINC000394304853 384166799 /nfs/dbraw/zinc/16/67/99/384166799.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 2 1 211.353 0.894 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000648141117 384169647 /nfs/dbraw/zinc/16/96/47/384169647.db2.gz DRCFFPIJUFWMBB-VPOLOUISSA-N 2 1 243.326 0.143 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163232817 384184789 /nfs/dbraw/zinc/18/47/89/384184789.db2.gz WFMGPJIAHQXTBX-GXFFZTMASA-N 2 1 247.342 0.955 20 0 BCADMP COC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000081066075 384179622 /nfs/dbraw/zinc/17/96/22/384179622.db2.gz ZJHUSIJOSNJRDT-GFCCVEGCSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C ZINC000647113684 384203794 /nfs/dbraw/zinc/20/37/94/384203794.db2.gz XIXIEORTNMYFRD-WISYIIOYSA-N 2 1 237.347 0.004 20 0 BCADMP C[C@H]([NH2+]CC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400362695 384205544 /nfs/dbraw/zinc/20/55/44/384205544.db2.gz CODVXFFZIROYBJ-VHSXEESVSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000163243244 384189045 /nfs/dbraw/zinc/18/90/45/384189045.db2.gz KVIDNTHIHMHLKE-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000163243244 384189051 /nfs/dbraw/zinc/18/90/51/384189051.db2.gz KVIDNTHIHMHLKE-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1SCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000132514976 384193891 /nfs/dbraw/zinc/19/38/91/384193891.db2.gz KYVKQRLFJKFRRX-UWVGGRQHSA-N 2 1 218.366 0.788 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237438630 384197261 /nfs/dbraw/zinc/19/72/61/384197261.db2.gz DHBLBGZYCREHLC-BDAKNGLRSA-N 2 1 225.336 0.465 20 0 BCADMP CC[C@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000133064794 384223874 /nfs/dbraw/zinc/22/38/74/384223874.db2.gz YTADBUOGSYORNP-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CN(C)c1[nH+]cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000644902449 384243137 /nfs/dbraw/zinc/24/31/37/384243137.db2.gz MVVRSCMLBCSUFS-QWRGUYRKSA-N 2 1 249.362 0.137 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645629 384253278 /nfs/dbraw/zinc/25/32/78/384253278.db2.gz VMHLYPMSNLJYHU-KXUCPTDWSA-N 2 1 213.325 0.310 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000174240504 384314455 /nfs/dbraw/zinc/31/44/55/384314455.db2.gz FAIMAYRPHRUKMO-UHFFFAOYSA-N 2 1 229.368 0.831 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773199 384296166 /nfs/dbraw/zinc/29/61/66/384296166.db2.gz NAVSNAVGFMAKOW-WRWGMCAJSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506562 384298618 /nfs/dbraw/zinc/29/86/18/384298618.db2.gz RZLBQRHDAKBCBF-FDYHWXHSSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506562 384298621 /nfs/dbraw/zinc/29/86/21/384298621.db2.gz RZLBQRHDAKBCBF-FDYHWXHSSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224290303 384351802 /nfs/dbraw/zinc/35/18/02/384351802.db2.gz YDPMESOZXZCGDM-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648145428 384447707 /nfs/dbraw/zinc/44/77/07/384447707.db2.gz ROEUPIVLLDFJLA-UTINFBMNSA-N 2 1 213.325 0.179 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000249027688 384463559 /nfs/dbraw/zinc/46/35/59/384463559.db2.gz LREFDHZQOFQHFJ-XWLWVQCSSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249078919 384479645 /nfs/dbraw/zinc/47/96/45/384479645.db2.gz RIGSWVNLZOPRGP-FIQHERPVSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000249097077 384484015 /nfs/dbraw/zinc/48/40/15/384484015.db2.gz UFTBTDXPTRRSOQ-WOPDTQHZSA-N 2 1 241.379 0.770 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCO)C1 ZINC000304287088 384511407 /nfs/dbraw/zinc/51/14/07/384511407.db2.gz AYAWNAVKPOGJDQ-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCO)C1 ZINC000304287088 384511411 /nfs/dbraw/zinc/51/14/11/384511411.db2.gz AYAWNAVKPOGJDQ-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000648168917 384492902 /nfs/dbraw/zinc/49/29/02/384492902.db2.gz GYELERMNZDVYQZ-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+]Cc1nc(C(=O)NC[C@@H]2CCC[NH2+]2)cs1 ZINC000178772052 384531665 /nfs/dbraw/zinc/53/16/65/384531665.db2.gz SUYQVLLAAQDBBI-ZETCQYMHSA-N 2 1 240.332 0.084 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)CC[N@H+]1C ZINC000183639573 384543433 /nfs/dbraw/zinc/54/34/33/384543433.db2.gz KGAJNSNGQRRPAF-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000236712224 384555097 /nfs/dbraw/zinc/55/50/97/384555097.db2.gz RMIJIVIPRIDHAG-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH3+] ZINC000236748973 384568355 /nfs/dbraw/zinc/56/83/55/384568355.db2.gz UGVIWWGFIYIDOP-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000306068123 384570194 /nfs/dbraw/zinc/57/01/94/384570194.db2.gz ZGYBSQBOJVRYSV-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000306068123 384570198 /nfs/dbraw/zinc/57/01/98/384570198.db2.gz ZGYBSQBOJVRYSV-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP Cc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000306113283 384572061 /nfs/dbraw/zinc/57/20/61/384572061.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 1 248.334 0.801 20 0 BCADMP Cc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000306113285 384572496 /nfs/dbraw/zinc/57/24/96/384572496.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 1 248.334 0.801 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000151496390 384577866 /nfs/dbraw/zinc/57/78/66/384577866.db2.gz WYHQPIJZFQEASI-NSHDSACASA-N 2 1 229.368 0.641 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124171 384580074 /nfs/dbraw/zinc/58/00/74/384580074.db2.gz UJHLXTSLQCIDNS-WUHRBBMRSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124171 384580079 /nfs/dbraw/zinc/58/00/79/384580079.db2.gz UJHLXTSLQCIDNS-WUHRBBMRSA-N 2 1 224.348 0.830 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975835 384583948 /nfs/dbraw/zinc/58/39/48/384583948.db2.gz KRCJJIAHBZYZTD-BBBLOLIVSA-N 2 1 211.309 0.029 20 0 BCADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000357778305 384618295 /nfs/dbraw/zinc/61/82/95/384618295.db2.gz NEXLGESZQLBWIJ-VXGBXAGGSA-N 2 1 237.347 0.963 20 0 BCADMP C[C@@H]1OCC[N@@H+](CCn2ccnc2)[C@H]1C ZINC000162281209 384596783 /nfs/dbraw/zinc/59/67/83/384596783.db2.gz SPIDKFMSBCAZPH-QWRGUYRKSA-N 2 1 209.293 0.992 20 0 BCADMP C[C@@H]1OCCN(CCn2ccnc2)[C@H]1C ZINC000162281209 384596789 /nfs/dbraw/zinc/59/67/89/384596789.db2.gz SPIDKFMSBCAZPH-QWRGUYRKSA-N 2 1 209.293 0.992 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872735 384600372 /nfs/dbraw/zinc/60/03/72/384600372.db2.gz TXXCPWOVVMIACV-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@H]1C[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872584 384601713 /nfs/dbraw/zinc/60/17/13/384601713.db2.gz TXXCPWOVVMIACV-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638549 384668436 /nfs/dbraw/zinc/66/84/36/384668436.db2.gz FYNUNPNSUCVOBS-QMMMGPOBSA-N 2 1 201.314 0.167 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638549 384668441 /nfs/dbraw/zinc/66/84/41/384668441.db2.gz FYNUNPNSUCVOBS-QMMMGPOBSA-N 2 1 201.314 0.167 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531379 384658860 /nfs/dbraw/zinc/65/88/60/384658860.db2.gz PDGRBLLWCAUFAW-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531379 384658867 /nfs/dbraw/zinc/65/88/67/384658867.db2.gz PDGRBLLWCAUFAW-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000104418509 384686983 /nfs/dbraw/zinc/68/69/83/384686983.db2.gz URIOUKOATVGBCE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000104418509 384686992 /nfs/dbraw/zinc/68/69/92/384686992.db2.gz URIOUKOATVGBCE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178838468 384711742 /nfs/dbraw/zinc/71/17/42/384711742.db2.gz SDBCGCNKARXOEA-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)(C)OCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000308516268 384777841 /nfs/dbraw/zinc/77/78/41/384777841.db2.gz ZCBIESSLUXCVNI-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546228 384729261 /nfs/dbraw/zinc/72/92/61/384729261.db2.gz GBMZLJAFTWPZSD-RVMXOQNASA-N 3 1 223.364 0.701 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC(C)(C)[NH3+] ZINC000648155656 384730080 /nfs/dbraw/zinc/73/00/80/384730080.db2.gz YHJUFGPSQRSNDY-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546139 384730123 /nfs/dbraw/zinc/73/01/23/384730123.db2.gz AMGFQMPPXOODSY-UMSGYPCISA-N 2 1 225.380 0.947 20 0 BCADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000647546651 384733494 /nfs/dbraw/zinc/73/34/94/384733494.db2.gz UIFAJRIUCNGLIO-ACJTYDJDSA-N 3 1 223.364 0.859 20 0 BCADMP CCN[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546799 384734327 /nfs/dbraw/zinc/73/43/27/384734327.db2.gz BTIAGDVDDZHGRM-YVECIDJPSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547016 384736712 /nfs/dbraw/zinc/73/67/12/384736712.db2.gz KXRBTOQLEMBYIU-NEPJUHHUSA-N 3 1 225.380 0.964 20 0 BCADMP CC[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547165 384737585 /nfs/dbraw/zinc/73/75/85/384737585.db2.gz PNNCVWSJFODZFI-FIQHERPVSA-N 2 1 211.353 0.701 20 0 BCADMP C1[C@H](N[C@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547875 384750480 /nfs/dbraw/zinc/75/04/80/384750480.db2.gz JURPRBZPELXCIE-QWRGUYRKSA-N 2 1 209.337 0.470 20 0 BCADMP C[C@@H]1CNC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547835 384751450 /nfs/dbraw/zinc/75/14/50/384751450.db2.gz HBXXTVMZOUHAJD-TUAOUCFPSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547835 384751458 /nfs/dbraw/zinc/75/14/58/384751458.db2.gz HBXXTVMZOUHAJD-TUAOUCFPSA-N 3 1 223.364 0.716 20 0 BCADMP C[NH2+][C@@H](C)c1cn(CCCc2c[nH+]cn2C)nn1 ZINC000314024565 384764054 /nfs/dbraw/zinc/76/40/54/384764054.db2.gz JRWGYAOKOBADEE-JTQLQIEISA-N 2 1 248.334 0.925 20 0 BCADMP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042519557 384819476 /nfs/dbraw/zinc/81/94/76/384819476.db2.gz PRMZYXSKTLODAM-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH+](C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000042388610 384791045 /nfs/dbraw/zinc/79/10/45/384791045.db2.gz ZTUWDKFTRBJBRS-UHFFFAOYSA-N 3 1 213.369 0.997 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648191164 384805100 /nfs/dbraw/zinc/80/51/00/384805100.db2.gz YIJSAHUOSVIUBU-GWOFURMSSA-N 2 1 227.352 0.569 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449650278 384814211 /nfs/dbraw/zinc/81/42/11/384814211.db2.gz TYMPHHLKUBWCEI-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000568393442 384879009 /nfs/dbraw/zinc/87/90/09/384879009.db2.gz AXOIHJMJZCBENH-NTZNESFSSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000568393442 384879016 /nfs/dbraw/zinc/87/90/16/384879016.db2.gz AXOIHJMJZCBENH-NTZNESFSSA-N 2 1 242.363 0.192 20 0 BCADMP CC[NH2+]CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000557145686 384842191 /nfs/dbraw/zinc/84/21/91/384842191.db2.gz IAIKMUKBRHBVFJ-UHFFFAOYSA-N 2 1 242.367 0.379 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000119010172 384957368 /nfs/dbraw/zinc/95/73/68/384957368.db2.gz BYBIMLPKPMFBFA-LBPRGKRZSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000644526235 384938037 /nfs/dbraw/zinc/93/80/37/384938037.db2.gz MAWZXOMMXPJQSL-LLVKDONJSA-N 2 1 211.309 0.942 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449687207 384939399 /nfs/dbraw/zinc/93/93/99/384939399.db2.gz OLAUKNMPXZZXHK-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939935 /nfs/dbraw/zinc/93/99/35/384939935.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 1 242.363 0.552 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577308 384967159 /nfs/dbraw/zinc/96/71/59/384967159.db2.gz LESSLMFHVHOEKD-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577308 384967163 /nfs/dbraw/zinc/96/71/63/384967163.db2.gz LESSLMFHVHOEKD-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023901 384992841 /nfs/dbraw/zinc/99/28/41/384992841.db2.gz MBDZZULCUKOODP-GARJFASQSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000648148571 385001592 /nfs/dbraw/zinc/00/15/92/385001592.db2.gz PNJFAKWKLFDGNI-WISYIIOYSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226398812 385007666 /nfs/dbraw/zinc/00/76/66/385007666.db2.gz ZGOLJVGELNXKHG-MFKMUULPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000226396348 385007741 /nfs/dbraw/zinc/00/77/41/385007741.db2.gz IMZACFKZTYHTHS-MNOVXSKESA-N 2 1 229.368 0.816 20 0 BCADMP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389823 385008471 /nfs/dbraw/zinc/00/84/71/385008471.db2.gz VMLSGHVEPOJOMM-UHFFFAOYSA-N 2 1 245.392 0.136 20 0 BCADMP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1F ZINC000259196529 384962918 /nfs/dbraw/zinc/96/29/18/384962918.db2.gz WSAOHXFXKHDQPS-LLVKDONJSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1F ZINC000259196529 384962923 /nfs/dbraw/zinc/96/29/23/384962923.db2.gz WSAOHXFXKHDQPS-LLVKDONJSA-N 2 1 226.295 0.886 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310425426 385060145 /nfs/dbraw/zinc/06/01/45/385060145.db2.gz ZZQQRYXXWAUAGI-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310425426 385060152 /nfs/dbraw/zinc/06/01/52/385060152.db2.gz ZZQQRYXXWAUAGI-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619186 385026613 /nfs/dbraw/zinc/02/66/13/385026613.db2.gz WTEWEVHOTQBGRR-ZYHUDNBSSA-N 2 1 212.337 0.997 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226541023 385031273 /nfs/dbraw/zinc/03/12/73/385031273.db2.gz MDNSLVJPPBPXBT-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226541023 385031281 /nfs/dbraw/zinc/03/12/81/385031281.db2.gz MDNSLVJPPBPXBT-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP Cn1cc(CC[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000086690499 385040958 /nfs/dbraw/zinc/04/09/58/385040958.db2.gz WAMNHQWKYTWWPP-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCO)C1 ZINC000177823896 385119273 /nfs/dbraw/zinc/11/92/73/385119273.db2.gz RHWIOPMGCVQSOV-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCO)C1 ZINC000177823896 385119277 /nfs/dbraw/zinc/11/92/77/385119277.db2.gz RHWIOPMGCVQSOV-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCO)C1 ZINC000177823896 385119282 /nfs/dbraw/zinc/11/92/82/385119282.db2.gz RHWIOPMGCVQSOV-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCO)C1 ZINC000177823896 385119286 /nfs/dbraw/zinc/11/92/86/385119286.db2.gz RHWIOPMGCVQSOV-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991955 385127706 /nfs/dbraw/zinc/12/77/06/385127706.db2.gz UFKRJUVTTNTSIV-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992391 385128971 /nfs/dbraw/zinc/12/89/71/385128971.db2.gz ILBKEFSIICBLCD-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP COCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245209 385133956 /nfs/dbraw/zinc/13/39/56/385133956.db2.gz KRCCDXCOWXCIPI-GFCCVEGCSA-N 2 1 242.363 0.710 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449748238 385139585 /nfs/dbraw/zinc/13/95/85/385139585.db2.gz BAXWNFZNSUEGEU-SNVBAGLBSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000367653497 385086940 /nfs/dbraw/zinc/08/69/40/385086940.db2.gz NVENDTGKBSCHKK-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)NC)C1 ZINC000559642316 385099900 /nfs/dbraw/zinc/09/99/00/385099900.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)NC)C1 ZINC000559642316 385099907 /nfs/dbraw/zinc/09/99/07/385099907.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000559642316 385099915 /nfs/dbraw/zinc/09/99/15/385099915.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)CC1 ZINC000177715218 385101139 /nfs/dbraw/zinc/10/11/39/385101139.db2.gz FKPMINCQZHBCMO-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)CC1 ZINC000177715218 385101143 /nfs/dbraw/zinc/10/11/43/385101143.db2.gz FKPMINCQZHBCMO-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC)CC1 ZINC000157443705 385181114 /nfs/dbraw/zinc/18/11/14/385181114.db2.gz TUDRUERCFSKVOH-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC)CC1 ZINC000157443705 385181121 /nfs/dbraw/zinc/18/11/21/385181121.db2.gz TUDRUERCFSKVOH-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC1(C)[C@@H](O)CC[N@H+]1CCn1ccnc1 ZINC000308818706 385188832 /nfs/dbraw/zinc/18/88/32/385188832.db2.gz FVSQWEJOLIDPFP-JTQLQIEISA-N 2 1 209.293 0.728 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1COCC1(C)C ZINC000401656955 385147597 /nfs/dbraw/zinc/14/75/97/385147597.db2.gz AMIVIWNSNXFOQP-NSHDSACASA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H](O)C[NH+](C)CCCCC[N@H+](C)C[C@@H](C)O ZINC000361504686 385153805 /nfs/dbraw/zinc/15/38/05/385153805.db2.gz CZYWMCSAMSDCQM-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449753450 385155042 /nfs/dbraw/zinc/15/50/42/385155042.db2.gz OONGJDOESHPJKI-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000647030379 385162039 /nfs/dbraw/zinc/16/20/39/385162039.db2.gz UZQANVMBXGCBNY-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000119719519 385167496 /nfs/dbraw/zinc/16/74/96/385167496.db2.gz ZVIVUAKHMVGFCO-UHFFFAOYSA-N 2 1 213.369 0.964 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CCCC[NH3+])C1 ZINC000647064890 385209586 /nfs/dbraw/zinc/20/95/86/385209586.db2.gz YKUZWXJOJFUUJH-NSHDSACASA-N 2 1 231.315 0.275 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000252712009 385211500 /nfs/dbraw/zinc/21/15/00/385211500.db2.gz LFXSVXRBGWYPFQ-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573361 385216128 /nfs/dbraw/zinc/21/61/28/385216128.db2.gz OLHAURJSIMLMOQ-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C ZINC000108362550 385232222 /nfs/dbraw/zinc/23/22/22/385232222.db2.gz IEKOIBBXPQPZKL-LLVKDONJSA-N 2 1 213.369 0.996 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649620 385235740 /nfs/dbraw/zinc/23/57/40/385235740.db2.gz KHADRUWTDZBPGA-ZYHUDNBSSA-N 2 1 239.363 0.570 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643494 385236023 /nfs/dbraw/zinc/23/60/23/385236023.db2.gz WLVYKVOWVDVWSN-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CCCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000308881591 385236067 /nfs/dbraw/zinc/23/60/67/385236067.db2.gz QLSGZDNMFSVVPW-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccncc1[O-] ZINC000569336884 385205311 /nfs/dbraw/zinc/20/53/11/385205311.db2.gz QZTBRTKXWKNGRF-ZETCQYMHSA-N 2 1 221.260 0.288 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000238562588 385262399 /nfs/dbraw/zinc/26/23/99/385262399.db2.gz AFUDBZBULFXAQL-SNVBAGLBSA-N 2 1 208.309 0.971 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000308902935 385275393 /nfs/dbraw/zinc/27/53/93/385275393.db2.gz JKSYKVNKAUJOBA-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490238 385283228 /nfs/dbraw/zinc/28/32/28/385283228.db2.gz HHAPCEPBYBLBHZ-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2[NH2+]CC2(C)C)n1 ZINC000647142854 385295285 /nfs/dbraw/zinc/29/52/85/385295285.db2.gz NSKNYOVEFQLVME-CBAPKCEASA-N 2 1 224.308 0.891 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157863882 385297974 /nfs/dbraw/zinc/29/79/74/385297974.db2.gz BZLFGZOCQVVPIX-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992710 385335702 /nfs/dbraw/zinc/33/57/02/385335702.db2.gz LOYCBHSIBXVSMP-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000299962231 385357585 /nfs/dbraw/zinc/35/75/85/385357585.db2.gz SVZJUDGDKRFLAY-ZYHUDNBSSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000131752531 385357803 /nfs/dbraw/zinc/35/78/03/385357803.db2.gz IOZAKVVUHSCGGL-VPOLOUISSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000309012445 385361015 /nfs/dbraw/zinc/36/10/15/385361015.db2.gz SGZRMGBDFZAQJI-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000309012445 385361018 /nfs/dbraw/zinc/36/10/18/385361018.db2.gz SGZRMGBDFZAQJI-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP CC[NH+](CC)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309040630 385377137 /nfs/dbraw/zinc/37/71/37/385377137.db2.gz KZYKSHFBPYXIFQ-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000309048928 385382538 /nfs/dbraw/zinc/38/25/38/385382538.db2.gz PTJMEOKJEVVHGU-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000309048928 385382542 /nfs/dbraw/zinc/38/25/42/385382542.db2.gz PTJMEOKJEVVHGU-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309048928 385382546 /nfs/dbraw/zinc/38/25/46/385382546.db2.gz PTJMEOKJEVVHGU-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309049625 385384186 /nfs/dbraw/zinc/38/41/86/385384186.db2.gz QDGRGRPAUWHTBH-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309049625 385384190 /nfs/dbraw/zinc/38/41/90/385384190.db2.gz QDGRGRPAUWHTBH-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405294823 385456335 /nfs/dbraw/zinc/45/63/35/385456335.db2.gz FTUMXPOVXPJPNM-VHSXEESVSA-N 2 1 227.352 0.474 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755775 385496674 /nfs/dbraw/zinc/49/66/74/385496674.db2.gz WGHHMMVDHIXNAN-AWEZNQCLSA-N 2 1 248.374 0.505 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336726945 385508274 /nfs/dbraw/zinc/50/82/74/385508274.db2.gz VQFGYHMYIZIXOL-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336726945 385508279 /nfs/dbraw/zinc/50/82/79/385508279.db2.gz VQFGYHMYIZIXOL-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000257707387 385490181 /nfs/dbraw/zinc/49/01/81/385490181.db2.gz PSVHNFKJOLCMMG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364991154 385557826 /nfs/dbraw/zinc/55/78/26/385557826.db2.gz YFSZXVXATLVWDQ-WOPDTQHZSA-N 2 1 239.363 0.522 20 0 BCADMP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309386262 385559681 /nfs/dbraw/zinc/55/96/81/385559681.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000309463242 385594062 /nfs/dbraw/zinc/59/40/62/385594062.db2.gz VCVLGGVVBSVHMT-LBPRGKRZSA-N 2 1 225.336 0.280 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000309463242 385594069 /nfs/dbraw/zinc/59/40/69/385594069.db2.gz VCVLGGVVBSVHMT-LBPRGKRZSA-N 2 1 225.336 0.280 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(N)s2)C1 ZINC000309467745 385596812 /nfs/dbraw/zinc/59/68/12/385596812.db2.gz QKFNFVSJYCXAEH-JTQLQIEISA-N 2 1 226.349 0.896 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000309467745 385596815 /nfs/dbraw/zinc/59/68/15/385596815.db2.gz QKFNFVSJYCXAEH-JTQLQIEISA-N 2 1 226.349 0.896 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336676656 385604634 /nfs/dbraw/zinc/60/46/34/385604634.db2.gz PXUFASQDLQVTBI-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336676656 385604638 /nfs/dbraw/zinc/60/46/38/385604638.db2.gz PXUFASQDLQVTBI-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@]1(C)CCCO1 ZINC000309453454 385585482 /nfs/dbraw/zinc/58/54/82/385585482.db2.gz NBOAOGYLFCKRFA-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000309456222 385588132 /nfs/dbraw/zinc/58/81/32/385588132.db2.gz MMWMNXXMGHGQNQ-RYUDHWBXSA-N 2 1 228.336 0.068 20 0 BCADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000309456222 385588135 /nfs/dbraw/zinc/58/81/35/385588135.db2.gz MMWMNXXMGHGQNQ-RYUDHWBXSA-N 2 1 228.336 0.068 20 0 BCADMP CN(C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000309488928 385618623 /nfs/dbraw/zinc/61/86/23/385618623.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000309488928 385618626 /nfs/dbraw/zinc/61/86/26/385618626.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC(C)(C)O)C1CC1 ZINC000309488928 385618627 /nfs/dbraw/zinc/61/86/27/385618627.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CC(C)(C)O)C1CC1 ZINC000309488928 385618632 /nfs/dbraw/zinc/61/86/32/385618632.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000309488928 385618635 /nfs/dbraw/zinc/61/86/35/385618635.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000309488928 385618638 /nfs/dbraw/zinc/61/86/38/385618638.db2.gz XTBHYFMUMDRGNZ-NSHDSACASA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@H](C)C[NH2+]C)CC1 ZINC000414850094 385630401 /nfs/dbraw/zinc/63/04/01/385630401.db2.gz YROXCPOIJDKQQW-LLVKDONJSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000337418082 385645736 /nfs/dbraw/zinc/64/57/36/385645736.db2.gz SLLYIOMEUFUXPE-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C ZINC000336653105 385655459 /nfs/dbraw/zinc/65/54/59/385655459.db2.gz LDCIGUFGRNGQDS-RCWTZXSCSA-N 2 1 200.326 0.543 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000337437049 385661051 /nfs/dbraw/zinc/66/10/51/385661051.db2.gz BKJLZSIHYAIEGA-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000337437049 385661053 /nfs/dbraw/zinc/66/10/53/385661053.db2.gz BKJLZSIHYAIEGA-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000337484267 385682112 /nfs/dbraw/zinc/68/21/12/385682112.db2.gz YEMVPCFEVCDOMB-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000337484267 385682119 /nfs/dbraw/zinc/68/21/19/385682119.db2.gz YEMVPCFEVCDOMB-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000337484268 385682672 /nfs/dbraw/zinc/68/26/72/385682672.db2.gz YEMVPCFEVCDOMB-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000337484268 385682676 /nfs/dbraw/zinc/68/26/76/385682676.db2.gz YEMVPCFEVCDOMB-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000309594588 385718082 /nfs/dbraw/zinc/71/80/82/385718082.db2.gz HZYOOHBOFVHCSE-VIFPVBQESA-N 2 1 201.314 0.180 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCNC1=O ZINC000281863129 385710020 /nfs/dbraw/zinc/71/00/20/385710020.db2.gz APVLYKYKZHSQQO-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCNC1=O ZINC000281863129 385710022 /nfs/dbraw/zinc/71/00/22/385710022.db2.gz APVLYKYKZHSQQO-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000257708815 385774346 /nfs/dbraw/zinc/77/43/46/385774346.db2.gz QFIMTYAEKMKSFF-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH2+]C1CC1 ZINC000647799458 385800925 /nfs/dbraw/zinc/80/09/25/385800925.db2.gz HKZZVGDUEFPEEK-DMDPSCGWSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336714017 385809860 /nfs/dbraw/zinc/80/98/60/385809860.db2.gz OYKXJKKCWVXPQC-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336714017 385809864 /nfs/dbraw/zinc/80/98/64/385809864.db2.gz OYKXJKKCWVXPQC-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336737838 385825032 /nfs/dbraw/zinc/82/50/32/385825032.db2.gz JTVSYOFAFCVCMD-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000262038537 385835672 /nfs/dbraw/zinc/83/56/72/385835672.db2.gz FXIWKRDHASXYIP-SNVBAGLBSA-N 2 1 233.315 0.718 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845302 385885821 /nfs/dbraw/zinc/88/58/21/385885821.db2.gz USNMXVBPQDOXNY-AAEUAGOBSA-N 2 1 249.358 0.945 20 0 BCADMP C[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000647842531 385891588 /nfs/dbraw/zinc/89/15/88/385891588.db2.gz OGRXOZANMKCRTH-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000647842531 385891590 /nfs/dbraw/zinc/89/15/90/385891590.db2.gz OGRXOZANMKCRTH-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CC[NH2+][C@@H](C)C1 ZINC000647842581 385891656 /nfs/dbraw/zinc/89/16/56/385891656.db2.gz XGBYBNJDUCFDLJ-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647844384 385895419 /nfs/dbraw/zinc/89/54/19/385895419.db2.gz RNPDGQFOAFKAJN-JQWIXIFHSA-N 2 1 235.331 0.554 20 0 BCADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1cccnc1 ZINC000647847172 385896806 /nfs/dbraw/zinc/89/68/06/385896806.db2.gz DRNVXRCEKHBNGU-UHFFFAOYSA-N 2 1 236.319 0.691 20 0 BCADMP CC(C)N1CCC[C@H]([N@H+](C)CCC[NH3+])C1=O ZINC000647848093 385898518 /nfs/dbraw/zinc/89/85/18/385898518.db2.gz DDTMXULXCPVYRV-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP CC(C)N1CCC[C@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000647848093 385898520 /nfs/dbraw/zinc/89/85/20/385898520.db2.gz DDTMXULXCPVYRV-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647848451 385899179 /nfs/dbraw/zinc/89/91/79/385899179.db2.gz RXJZSSZSGPNPSV-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852826 385905184 /nfs/dbraw/zinc/90/51/84/385905184.db2.gz CNLXTCKGJSZHCF-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852826 385905187 /nfs/dbraw/zinc/90/51/87/385905187.db2.gz CNLXTCKGJSZHCF-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647858639 385914415 /nfs/dbraw/zinc/91/44/15/385914415.db2.gz WCMWGIFZNHXLDT-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414959515 385868854 /nfs/dbraw/zinc/86/88/54/385868854.db2.gz SGZYFNNXYBSNOC-RYUDHWBXSA-N 2 1 230.352 0.770 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414959516 385869402 /nfs/dbraw/zinc/86/94/02/385869402.db2.gz SGZYFNNXYBSNOC-VXGBXAGGSA-N 2 1 230.352 0.770 20 0 BCADMP N[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647829333 385878785 /nfs/dbraw/zinc/87/87/85/385878785.db2.gz KAXTVMDHRUENGP-LBPRGKRZSA-N 2 1 211.353 0.799 20 0 BCADMP N[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647829333 385878789 /nfs/dbraw/zinc/87/87/89/385878789.db2.gz KAXTVMDHRUENGP-LBPRGKRZSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+][C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647829333 385878793 /nfs/dbraw/zinc/87/87/93/385878793.db2.gz KAXTVMDHRUENGP-LBPRGKRZSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647829333 385878794 /nfs/dbraw/zinc/87/87/94/385878794.db2.gz KAXTVMDHRUENGP-LBPRGKRZSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C[C@H]1C ZINC000414125381 385975239 /nfs/dbraw/zinc/97/52/39/385975239.db2.gz QCYLBZDKAINJKN-ZNSHCXBVSA-N 2 1 200.326 0.543 20 0 BCADMP C[C@H](CS(C)(=O)=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336749008 385989898 /nfs/dbraw/zinc/98/98/98/385989898.db2.gz TVIUNCJTLJQROK-SNVBAGLBSA-N 2 1 246.376 0.271 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1(C)CC1 ZINC000336749178 385991124 /nfs/dbraw/zinc/99/11/24/385991124.db2.gz FBDZIYMZWQRFFC-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(C)CC1 ZINC000336749178 385991128 /nfs/dbraw/zinc/99/11/28/385991128.db2.gz FBDZIYMZWQRFFC-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NCC1=CC[N@@H+](C)CC1 ZINC000335041467 385933890 /nfs/dbraw/zinc/93/38/90/385933890.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 2 1 223.364 0.836 20 0 BCADMP C[C@H]1CCNC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041467 385933895 /nfs/dbraw/zinc/93/38/95/385933895.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 2 1 223.364 0.836 20 0 BCADMP C[C@H]1CCNC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041467 385933898 /nfs/dbraw/zinc/93/38/98/385933898.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 2 1 223.364 0.836 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043297 385935262 /nfs/dbraw/zinc/93/52/62/385935262.db2.gz VLMLGCUHIFUXTE-WCQYABFASA-N 3 1 225.380 0.916 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000521437839 385942916 /nfs/dbraw/zinc/94/29/16/385942916.db2.gz FYCJMOKDDYNESW-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417446116 385954411 /nfs/dbraw/zinc/95/44/11/385954411.db2.gz JRBZRUYNYCGKJZ-JTQLQIEISA-N 2 1 230.356 0.317 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417446599 385955610 /nfs/dbraw/zinc/95/56/10/385955610.db2.gz MHTMSKLPQUUGNA-SNVBAGLBSA-N 2 1 244.383 0.753 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000338348176 385974968 /nfs/dbraw/zinc/97/49/68/385974968.db2.gz MQCRIFCTISYYAC-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000338348178 385975107 /nfs/dbraw/zinc/97/51/07/385975107.db2.gz MQCRIFCTISYYAC-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865884 385999266 /nfs/dbraw/zinc/99/92/66/385999266.db2.gz WKQPLVWQHMUOMR-XQQFMLRXSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865884 385999268 /nfs/dbraw/zinc/99/92/68/385999268.db2.gz WKQPLVWQHMUOMR-XQQFMLRXSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750385 386003369 /nfs/dbraw/zinc/00/33/69/386003369.db2.gz UUJLVSOLAXPFKC-KOLCDFICSA-N 2 1 241.360 0.860 20 0 BCADMP C[C@@]1(O)CCC[N@@H+](CCn2ccnc2)C1 ZINC000124304011 386019503 /nfs/dbraw/zinc/01/95/03/386019503.db2.gz ICNNTZNGYXGQAH-LLVKDONJSA-N 2 1 209.293 0.730 20 0 BCADMP CC[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000338479020 386019611 /nfs/dbraw/zinc/01/96/11/386019611.db2.gz MXBVZUKTMMNQDX-NSHDSACASA-N 2 1 244.383 0.578 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000417463786 386019697 /nfs/dbraw/zinc/01/96/97/386019697.db2.gz PMGBGQMJXHLSSG-NSHDSACASA-N 2 1 244.383 0.753 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccnn1C ZINC000128845794 386028234 /nfs/dbraw/zinc/02/82/34/386028234.db2.gz MEHGHSIOTSYCJR-JQWIXIFHSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865688 385996565 /nfs/dbraw/zinc/99/65/65/385996565.db2.gz QDDJOCIDBKSEFY-DGCLKSJQSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865688 385996572 /nfs/dbraw/zinc/99/65/72/385996572.db2.gz QDDJOCIDBKSEFY-DGCLKSJQSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865690 385996841 /nfs/dbraw/zinc/99/68/41/385996841.db2.gz QDDJOCIDBKSEFY-YPMHNXCESA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865690 385996848 /nfs/dbraw/zinc/99/68/48/385996848.db2.gz QDDJOCIDBKSEFY-YPMHNXCESA-N 3 1 241.379 0.424 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000054133509 386109248 /nfs/dbraw/zinc/10/92/48/386109248.db2.gz YPDWMJJMMVTINT-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414666409 386112043 /nfs/dbraw/zinc/11/20/43/386112043.db2.gz GFPAHBFWRAPFRP-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000414981118 386060518 /nfs/dbraw/zinc/06/05/18/386060518.db2.gz XCQONELGTBLGKE-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000414981117 386061091 /nfs/dbraw/zinc/06/10/91/386061091.db2.gz XCQONELGTBLGKE-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414652797 386075443 /nfs/dbraw/zinc/07/54/43/386075443.db2.gz HJNXDOKASDHYMI-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414652797 386075446 /nfs/dbraw/zinc/07/54/46/386075446.db2.gz HJNXDOKASDHYMI-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404406 386077728 /nfs/dbraw/zinc/07/77/28/386077728.db2.gz PQETYIFGGAUISK-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CN)CC[NH2+]1 ZINC000414655865 386081143 /nfs/dbraw/zinc/08/11/43/386081143.db2.gz HUABUNAIJXZJKE-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000345282967 386088698 /nfs/dbraw/zinc/08/86/98/386088698.db2.gz JCYVQBANXFUELU-UHFFFAOYSA-N 2 1 213.325 0.101 20 0 BCADMP CC[N@H+]1CC[C@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000414887616 386092890 /nfs/dbraw/zinc/09/28/90/386092890.db2.gz QSFBLTPZUJRKRE-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP C[N@@H+](CCNC(=O)c1ccnc(C[NH3+])c1)C1CC1 ZINC000130271004 386149892 /nfs/dbraw/zinc/14/98/92/386149892.db2.gz VPJVXQCPAYUZNT-UHFFFAOYSA-N 2 1 248.330 0.364 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000334476061 386153782 /nfs/dbraw/zinc/15/37/82/386153782.db2.gz OLNYYAOQUAVMJR-ZYHUDNBSSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334476061 386153788 /nfs/dbraw/zinc/15/37/88/386153788.db2.gz OLNYYAOQUAVMJR-ZYHUDNBSSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334476061 386153791 /nfs/dbraw/zinc/15/37/91/386153791.db2.gz OLNYYAOQUAVMJR-ZYHUDNBSSA-N 2 1 237.347 0.434 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353182741 386155627 /nfs/dbraw/zinc/15/56/27/386155627.db2.gz KNABFWFWOCHZEE-ADEWGFFLSA-N 2 1 239.363 0.713 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677524 386157561 /nfs/dbraw/zinc/15/75/61/386157561.db2.gz JEUKSLBCPIYKCF-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677801 386158183 /nfs/dbraw/zinc/15/81/83/386158183.db2.gz JTFVWQXOFBKMNZ-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346182022 386161743 /nfs/dbraw/zinc/16/17/43/386161743.db2.gz CHYLZIVRFCQXTO-JTQLQIEISA-N 2 1 215.341 0.393 20 0 BCADMP CC[C@@H]([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000310315111 386172553 /nfs/dbraw/zinc/17/25/53/386172553.db2.gz XIFFNPRRHJPJGR-VHSXEESVSA-N 2 1 241.339 0.001 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@@H]2C)CC[NH2+]1 ZINC000414691135 386185392 /nfs/dbraw/zinc/18/53/92/386185392.db2.gz JASGFVALVCYLFH-VWYCJHECSA-N 2 1 225.336 0.195 20 0 BCADMP COCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414699315 386202241 /nfs/dbraw/zinc/20/22/41/386202241.db2.gz SXEYOOPEIPSINP-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414700658 386206881 /nfs/dbraw/zinc/20/68/81/386206881.db2.gz ZQAYSWPENXAVQV-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414702225 386207043 /nfs/dbraw/zinc/20/70/43/386207043.db2.gz UVUORUODCMBLLM-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414702225 386207048 /nfs/dbraw/zinc/20/70/48/386207048.db2.gz UVUORUODCMBLLM-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414702222 386208956 /nfs/dbraw/zinc/20/89/56/386208956.db2.gz UVUORUODCMBLLM-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414702222 386208958 /nfs/dbraw/zinc/20/89/58/386208958.db2.gz UVUORUODCMBLLM-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647881522 386215226 /nfs/dbraw/zinc/21/52/26/386215226.db2.gz BIQOPQHODQSWCJ-STQMWFEESA-N 2 1 239.363 0.444 20 0 BCADMP COC[C@@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414707002 386217455 /nfs/dbraw/zinc/21/74/55/386217455.db2.gz LYUVOJLXFQOUKI-NWDGAFQWSA-N 2 1 232.368 0.737 20 0 BCADMP CNC(=O)CCC[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712976 386230885 /nfs/dbraw/zinc/23/08/85/386230885.db2.gz VBDLAOYUVYQIPN-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712976 386230889 /nfs/dbraw/zinc/23/08/89/386230889.db2.gz VBDLAOYUVYQIPN-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882932 386233727 /nfs/dbraw/zinc/23/37/27/386233727.db2.gz PZMRLLBTCIYKRA-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882932 386233732 /nfs/dbraw/zinc/23/37/32/386233732.db2.gz PZMRLLBTCIYKRA-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000132419451 386234555 /nfs/dbraw/zinc/23/45/55/386234555.db2.gz VRNGDZONYRYKGI-NEPJUHHUSA-N 2 1 243.420 0.717 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882931 386234913 /nfs/dbraw/zinc/23/49/13/386234913.db2.gz PZMRLLBTCIYKRA-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882931 386234917 /nfs/dbraw/zinc/23/49/17/386234917.db2.gz PZMRLLBTCIYKRA-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@]1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900872 386290903 /nfs/dbraw/zinc/29/09/03/386290903.db2.gz FIUYZBLTJDBIIX-STQMWFEESA-N 3 1 225.380 0.965 20 0 BCADMP Cc1nnc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988410 386302440 /nfs/dbraw/zinc/30/24/40/386302440.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 1 249.362 0.902 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347302974 386305344 /nfs/dbraw/zinc/30/53/44/386305344.db2.gz FRSBZSUZBAMYHC-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347302974 386305348 /nfs/dbraw/zinc/30/53/48/386305348.db2.gz FRSBZSUZBAMYHC-TXEJJXNPSA-N 2 1 239.319 0.009 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645396075 386305796 /nfs/dbraw/zinc/30/57/96/386305796.db2.gz VDCRZTKGNCLZEV-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739965 386317828 /nfs/dbraw/zinc/31/78/28/386317828.db2.gz CNUMLXHXAJGXRF-NQBHXWOUSA-N 2 1 239.363 0.572 20 0 BCADMP c1nc2n(n1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647988778 386318151 /nfs/dbraw/zinc/31/81/51/386318151.db2.gz LBLZUYAUFWRGCH-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP c1nc2n(n1)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647988778 386318157 /nfs/dbraw/zinc/31/81/57/386318157.db2.gz LBLZUYAUFWRGCH-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004611 386318792 /nfs/dbraw/zinc/31/87/92/386318792.db2.gz XPUDXSLXMNLPDD-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336649913 386263555 /nfs/dbraw/zinc/26/35/55/386263555.db2.gz RXGGHPSCJXAOCW-LLVKDONJSA-N 2 1 212.337 0.906 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCCC[NH3+] ZINC000309534493 386275977 /nfs/dbraw/zinc/27/59/77/386275977.db2.gz FBBHSHMFSPHTJD-UHFFFAOYSA-N 2 1 201.314 0.183 20 0 BCADMP O[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888059 386343523 /nfs/dbraw/zinc/34/35/23/386343523.db2.gz GNJPLDMKAVLXPD-BDAKNGLRSA-N 2 1 238.253 0.595 20 0 BCADMP O[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888059 386343529 /nfs/dbraw/zinc/34/35/29/386343529.db2.gz GNJPLDMKAVLXPD-BDAKNGLRSA-N 2 1 238.253 0.595 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000414746656 386346064 /nfs/dbraw/zinc/34/60/64/386346064.db2.gz SOYBQGUUBYMYGM-WOPDTQHZSA-N 2 1 214.353 0.920 20 0 BCADMP C[C@H](C[NH3+])NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417552222 386356273 /nfs/dbraw/zinc/35/62/73/386356273.db2.gz QCOKGDODENEEMZ-RKDXNWHRSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)N(C)[C@H](C)C2)CC[NH2+]1 ZINC000414748846 386362370 /nfs/dbraw/zinc/36/23/70/386362370.db2.gz XIWKLLIMKZNRCC-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1OC ZINC000336692707 386366409 /nfs/dbraw/zinc/36/64/09/386366409.db2.gz HSDNEVWIHNIUQX-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1OC ZINC000336692707 386366411 /nfs/dbraw/zinc/36/64/11/386366411.db2.gz HSDNEVWIHNIUQX-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1OC ZINC000336692707 386366412 /nfs/dbraw/zinc/36/64/12/386366412.db2.gz HSDNEVWIHNIUQX-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1OC ZINC000336692707 386366416 /nfs/dbraw/zinc/36/64/16/386366416.db2.gz HSDNEVWIHNIUQX-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+]CCc1c[nH+]cn1C ZINC000276723398 386367584 /nfs/dbraw/zinc/36/75/84/386367584.db2.gz WYJCUQAZWKINDG-LLVKDONJSA-N 2 1 233.319 0.837 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+]CCc1c[nH+]cn1C ZINC000276723400 386368764 /nfs/dbraw/zinc/36/87/64/386368764.db2.gz WYJCUQAZWKINDG-NSHDSACASA-N 2 1 233.319 0.837 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414742700 386330060 /nfs/dbraw/zinc/33/00/60/386330060.db2.gz NTZBWGBTFGVJPV-JFGNBEQYSA-N 2 1 240.347 0.916 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000414753220 386386054 /nfs/dbraw/zinc/38/60/54/386386054.db2.gz LXRPECMORBYHJA-ZYHUDNBSSA-N 2 1 227.352 0.557 20 0 BCADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH2+]CC2 ZINC000335275610 386336094 /nfs/dbraw/zinc/33/60/94/386336094.db2.gz CMWVWTXAKASYJN-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417606763 386439329 /nfs/dbraw/zinc/43/93/29/386439329.db2.gz FKPQDDDJPJCVCT-UHFFFAOYSA-N 2 1 244.383 0.755 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992607 386446469 /nfs/dbraw/zinc/44/64/69/386446469.db2.gz RIZUEMNSFVPHKA-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992607 386446477 /nfs/dbraw/zinc/44/64/77/386446477.db2.gz RIZUEMNSFVPHKA-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000336700904 386400147 /nfs/dbraw/zinc/40/01/47/386400147.db2.gz LOQUQYQMPMMNDM-LLVKDONJSA-N 2 1 223.324 0.162 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000336700904 386400150 /nfs/dbraw/zinc/40/01/50/386400150.db2.gz LOQUQYQMPMMNDM-LLVKDONJSA-N 2 1 223.324 0.162 20 0 BCADMP C[NH+](C)C1(CNC(N)=[NH2+])Cc2ccccc2C1 ZINC000266140403 386403833 /nfs/dbraw/zinc/40/38/33/386403833.db2.gz QKPKFTCFFWCTCR-UHFFFAOYSA-N 2 1 232.331 0.569 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442664135 386414127 /nfs/dbraw/zinc/41/41/27/386414127.db2.gz VQIKVSLFPZADAZ-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442664135 386414134 /nfs/dbraw/zinc/41/41/34/386414134.db2.gz VQIKVSLFPZADAZ-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399142832 386419441 /nfs/dbraw/zinc/41/94/41/386419441.db2.gz CCFJTZHCSRQOSK-SNVBAGLBSA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH3+] ZINC000417584948 386420622 /nfs/dbraw/zinc/42/06/22/386420622.db2.gz NTAXNTVVEHGLFH-JTQLQIEISA-N 2 1 228.340 0.119 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761507 386421200 /nfs/dbraw/zinc/42/12/00/386421200.db2.gz UABRMEYMDMUEAR-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134490613 386422009 /nfs/dbraw/zinc/42/20/09/386422009.db2.gz JQJLTZJUZMQQHS-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134557255 386424236 /nfs/dbraw/zinc/42/42/36/386424236.db2.gz AIMAZAYDEZTSIA-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](CCOCCO)CC[C@H]1CCC[NH+]1C ZINC000336713924 386429656 /nfs/dbraw/zinc/42/96/56/386429656.db2.gz RXEPSRLZVBSJGZ-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[NH+](CCOCCO)CC[C@H]1CCC[N@@H+]1C ZINC000336713924 386429661 /nfs/dbraw/zinc/42/96/61/386429661.db2.gz RXEPSRLZVBSJGZ-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000519402956 386429846 /nfs/dbraw/zinc/42/98/46/386429846.db2.gz MGPLAEDULRTXIL-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336712913 386430845 /nfs/dbraw/zinc/43/08/45/386430845.db2.gz RYJWWSARINWKTN-LBPRGKRZSA-N 2 1 242.363 0.411 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417276324 386467995 /nfs/dbraw/zinc/46/79/95/386467995.db2.gz DOLXLPBYFCKDPS-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417284876 386472960 /nfs/dbraw/zinc/47/29/60/386472960.db2.gz KLBVFHNUYLTPPD-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417284979 386473782 /nfs/dbraw/zinc/47/37/82/386473782.db2.gz KUNOOZNLAPPUAP-QWRGUYRKSA-N 2 1 242.367 0.363 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417632821 386478245 /nfs/dbraw/zinc/47/82/45/386478245.db2.gz XIWYZYKOGBENLU-RKDXNWHRSA-N 2 1 228.340 0.116 20 0 BCADMP Cn1ccnc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062252323 386506487 /nfs/dbraw/zinc/50/64/87/386506487.db2.gz RTRBWEVIGIWDQB-UHFFFAOYSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415049142 386506383 /nfs/dbraw/zinc/50/63/83/386506383.db2.gz APZXROIHRNQVDO-KIJLLGNVSA-N 2 1 223.364 0.524 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335447314 386514975 /nfs/dbraw/zinc/51/49/75/386514975.db2.gz DPQAQYJYHPDZBY-WDEREUQCSA-N 2 1 220.320 0.759 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647936299 386515289 /nfs/dbraw/zinc/51/52/89/386515289.db2.gz BCWOXDKUPOMBPE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335448782 386517030 /nfs/dbraw/zinc/51/70/30/386517030.db2.gz SFITWXSBEOKOCT-RYUDHWBXSA-N 3 1 225.380 0.964 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000335449220 386517478 /nfs/dbraw/zinc/51/74/78/386517478.db2.gz YWTOGMMJNGUQHH-GFCCVEGCSA-N 3 1 209.337 0.411 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000335449220 386517483 /nfs/dbraw/zinc/51/74/83/386517483.db2.gz YWTOGMMJNGUQHH-GFCCVEGCSA-N 3 1 209.337 0.411 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447104 386453816 /nfs/dbraw/zinc/45/38/16/386453816.db2.gz MYKPOFHKNQWAPD-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417143374 386454661 /nfs/dbraw/zinc/45/46/61/386454661.db2.gz UJDXYTHGUNMPPW-WDEREUQCSA-N 2 1 240.351 0.132 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414922394 386599072 /nfs/dbraw/zinc/59/90/72/386599072.db2.gz GADVAKZKJDYAGT-OUAUKWLOSA-N 2 1 200.326 0.857 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000415081779 386598413 /nfs/dbraw/zinc/59/84/13/386598413.db2.gz NLBICQBYPBNGLB-NEPJUHHUSA-N 2 1 211.353 0.812 20 0 BCADMP CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519703084 386536708 /nfs/dbraw/zinc/53/67/08/386536708.db2.gz DUWAQSCVJSRLLC-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000415056782 386537284 /nfs/dbraw/zinc/53/72/84/386537284.db2.gz OMEHOWDTERYVDE-SECBINFHSA-N 2 1 214.334 0.808 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000415056782 386537295 /nfs/dbraw/zinc/53/72/95/386537295.db2.gz OMEHOWDTERYVDE-SECBINFHSA-N 2 1 214.334 0.808 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417681832 386537388 /nfs/dbraw/zinc/53/73/88/386537388.db2.gz KDYCPSHGSCQPFA-ZJUUUORDSA-N 2 1 240.351 0.117 20 0 BCADMP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000415056784 386538354 /nfs/dbraw/zinc/53/83/54/386538354.db2.gz OMEHOWDTERYVDE-VIFPVBQESA-N 2 1 214.334 0.808 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000415056784 386538361 /nfs/dbraw/zinc/53/83/61/386538361.db2.gz OMEHOWDTERYVDE-VIFPVBQESA-N 2 1 214.334 0.808 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415058335 386541904 /nfs/dbraw/zinc/54/19/04/386541904.db2.gz VLMKRLAVQUIGKP-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415058335 386541907 /nfs/dbraw/zinc/54/19/07/386541907.db2.gz VLMKRLAVQUIGKP-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP CN(C)c1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415052646 386554269 /nfs/dbraw/zinc/55/42/69/386554269.db2.gz IMIDAMYGCRXJPX-GFCCVEGCSA-N 2 1 237.347 0.504 20 0 BCADMP CN(C)c1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415052646 386554275 /nfs/dbraw/zinc/55/42/75/386554275.db2.gz IMIDAMYGCRXJPX-GFCCVEGCSA-N 2 1 237.347 0.504 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417690161 386555722 /nfs/dbraw/zinc/55/57/22/386555722.db2.gz UMKVYFSOOMPBBS-NXEZZACHSA-N 2 1 240.351 0.260 20 0 BCADMP COC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199711 386555782 /nfs/dbraw/zinc/55/57/82/386555782.db2.gz ZVDSFQQCVNQLNV-LLVKDONJSA-N 2 1 226.320 0.623 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417690162 386558118 /nfs/dbraw/zinc/55/81/18/386558118.db2.gz UMKVYFSOOMPBBS-UWVGGRQHSA-N 2 1 240.351 0.260 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335405883 386563212 /nfs/dbraw/zinc/56/32/12/386563212.db2.gz JKFPRTNMMRCHQN-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071722 386564572 /nfs/dbraw/zinc/56/45/72/386564572.db2.gz UJQPGRBXPIJPSR-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000337142823 386626650 /nfs/dbraw/zinc/62/66/50/386626650.db2.gz UOZKZYBANNNZAB-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000337142823 386626653 /nfs/dbraw/zinc/62/66/53/386626653.db2.gz UOZKZYBANNNZAB-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP c1cn(CCC[N@H+]2CC[C@H](c3nnc[nH]3)C2)cn1 ZINC000425555137 386629079 /nfs/dbraw/zinc/62/90/79/386629079.db2.gz XNVLZHOLYSVYER-NSHDSACASA-N 2 1 246.318 0.881 20 0 BCADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000644932532 386629207 /nfs/dbraw/zinc/62/92/07/386629207.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 2 1 224.348 0.905 20 0 BCADMP CO[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CC1 ZINC000644932532 386629210 /nfs/dbraw/zinc/62/92/10/386629210.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 2 1 224.348 0.905 20 0 BCADMP CO[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CC1 ZINC000644932532 386629214 /nfs/dbraw/zinc/62/92/14/386629214.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 2 1 224.348 0.905 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000337190278 386642526 /nfs/dbraw/zinc/64/25/26/386642526.db2.gz SIWZLKHPEDARJX-WUHRBBMRSA-N 2 1 242.363 0.551 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCC[NH3+] ZINC000246225911 386642507 /nfs/dbraw/zinc/64/25/07/386642507.db2.gz HDYMTIVZIOGJAC-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942807 386647608 /nfs/dbraw/zinc/64/76/08/386647608.db2.gz SKWZOSIVWFMXHE-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942808 386648949 /nfs/dbraw/zinc/64/89/49/386648949.db2.gz SKWZOSIVWFMXHE-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP COCCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062912528 386653733 /nfs/dbraw/zinc/65/37/33/386653733.db2.gz MIRPWIYKCPDEMD-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000335522271 386663363 /nfs/dbraw/zinc/66/33/63/386663363.db2.gz SWWKCCAGURBZIJ-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428126470 386663672 /nfs/dbraw/zinc/66/36/72/386663672.db2.gz BXGLSZHNAUNFHR-UHFFFAOYSA-N 2 1 227.352 0.526 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979538 386665810 /nfs/dbraw/zinc/66/58/10/386665810.db2.gz JLCOERWEGWSWPI-UPJWGTAASA-N 2 1 223.364 0.527 20 0 BCADMP C([C@@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979538 386665815 /nfs/dbraw/zinc/66/58/15/386665815.db2.gz JLCOERWEGWSWPI-UPJWGTAASA-N 2 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[C@@H](CNC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821507 386678780 /nfs/dbraw/zinc/67/87/80/386678780.db2.gz CIECSPCQWSYGRK-GRYCIOLGSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@H]1C[C@H](CNC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821512 386679008 /nfs/dbraw/zinc/67/90/08/386679008.db2.gz CIECSPCQWSYGRK-UTUOFQBUSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954733 386680913 /nfs/dbraw/zinc/68/09/13/386680913.db2.gz UPHXJZGKZWLELD-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954733 386680921 /nfs/dbraw/zinc/68/09/21/386680921.db2.gz UPHXJZGKZWLELD-RYUDHWBXSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954733 386680935 /nfs/dbraw/zinc/68/09/35/386680935.db2.gz UPHXJZGKZWLELD-RYUDHWBXSA-N 2 1 211.353 0.657 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000335519926 386656932 /nfs/dbraw/zinc/65/69/32/386656932.db2.gz BVJIJTUZAUFFQA-MNOVXSKESA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000357080414 386709820 /nfs/dbraw/zinc/70/98/20/386709820.db2.gz MDFCYNMFRPMDOZ-UHFFFAOYSA-N 3 1 243.395 0.766 20 0 BCADMP CC(C)[NH+]1CCC(N(C)CCOCC[NH3+])CC1 ZINC000357080414 386709828 /nfs/dbraw/zinc/70/98/28/386709828.db2.gz MDFCYNMFRPMDOZ-UHFFFAOYSA-N 2 1 243.395 0.766 20 0 BCADMP CC(C)N1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000357080414 386709833 /nfs/dbraw/zinc/70/98/33/386709833.db2.gz MDFCYNMFRPMDOZ-UHFFFAOYSA-N 2 1 243.395 0.766 20 0 BCADMP CC(C)N1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000357080414 386709838 /nfs/dbraw/zinc/70/98/38/386709838.db2.gz MDFCYNMFRPMDOZ-UHFFFAOYSA-N 2 1 243.395 0.766 20 0 BCADMP [NH3+]CCOCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000357069116 386710979 /nfs/dbraw/zinc/71/09/79/386710979.db2.gz HFLWONPLVRWPGP-UHFFFAOYSA-N 2 1 238.335 0.564 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000335468099 386683162 /nfs/dbraw/zinc/68/31/62/386683162.db2.gz KDRMCCISQAFKMB-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907740 386699840 /nfs/dbraw/zinc/69/98/40/386699840.db2.gz NYCYNNIHSJQHON-FDYHWXHSSA-N 3 1 223.364 0.655 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H](C)[NH3+] ZINC000335478237 386704103 /nfs/dbraw/zinc/70/41/03/386704103.db2.gz QXNKQSPHRKTEBP-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400719 386707237 /nfs/dbraw/zinc/70/72/37/386707237.db2.gz YINMLHVUXWVWFM-GFCCVEGCSA-N 2 1 241.379 0.737 20 0 BCADMP Cn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000357059191 386707998 /nfs/dbraw/zinc/70/79/98/386707998.db2.gz WNGCPFFNIUJXSZ-GFCCVEGCSA-N 2 1 249.362 0.637 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357066871 386708406 /nfs/dbraw/zinc/70/84/06/386708406.db2.gz CTRDYJSKRUGNLY-ZJUUUORDSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357066871 386708409 /nfs/dbraw/zinc/70/84/09/386708409.db2.gz CTRDYJSKRUGNLY-ZJUUUORDSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357066868 386708569 /nfs/dbraw/zinc/70/85/69/386708569.db2.gz CTRDYJSKRUGNLY-UWVGGRQHSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357066868 386708570 /nfs/dbraw/zinc/70/85/70/386708570.db2.gz CTRDYJSKRUGNLY-UWVGGRQHSA-N 2 1 234.290 0.809 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414830803 386708831 /nfs/dbraw/zinc/70/88/31/386708831.db2.gz OGEXUOLXUAKIPG-MXWKQRLJSA-N 2 1 210.321 0.753 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000269260660 386732122 /nfs/dbraw/zinc/73/21/22/386732122.db2.gz VNDVEHAONHEKRH-ZDUSSCGKSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H](O)C[N@@H+](CCOCC[NH3+])C1CCCCC1 ZINC000357084169 386715255 /nfs/dbraw/zinc/71/52/55/386715255.db2.gz ZANGOJIDBDZBCM-GFCCVEGCSA-N 2 1 244.379 0.977 20 0 BCADMP CC[N@@H+]1CC[C@@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000414928783 386723476 /nfs/dbraw/zinc/72/34/76/386723476.db2.gz MXHBCBJWVGUIMI-VHSXEESVSA-N 2 1 235.322 0.900 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000414928783 386723480 /nfs/dbraw/zinc/72/34/80/386723480.db2.gz MXHBCBJWVGUIMI-VHSXEESVSA-N 2 1 235.322 0.900 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000643364430 386729218 /nfs/dbraw/zinc/72/92/18/386729218.db2.gz LMKDRCJSLCBGHJ-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H](C)C[NH3+])[nH+]1 ZINC000357240665 386745905 /nfs/dbraw/zinc/74/59/05/386745905.db2.gz JUGSROHEFVDMSU-SECBINFHSA-N 2 1 236.319 0.513 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000357239580 386746349 /nfs/dbraw/zinc/74/63/49/386746349.db2.gz INXHDYNXWRZKGX-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H](C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269124737 386754968 /nfs/dbraw/zinc/75/49/68/386754968.db2.gz WQVMNKFOZFGHCD-LLVKDONJSA-N 2 1 235.331 0.582 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357319922 386759956 /nfs/dbraw/zinc/75/99/56/386759956.db2.gz YJUCRSIBSRLXBD-MDZLAQPJSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000417835711 386793554 /nfs/dbraw/zinc/79/35/54/386793554.db2.gz KYVLIQDAQQLWNM-OPRDCNLKSA-N 2 1 243.376 0.092 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@H+]1C ZINC000639273646 386775925 /nfs/dbraw/zinc/77/59/25/386775925.db2.gz TVBQVJPHHOHAPT-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418000673 386817511 /nfs/dbraw/zinc/81/75/11/386817511.db2.gz JRPMIOZISLCSCU-VWYCJHECSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@H+]1C ZINC000417995307 386803740 /nfs/dbraw/zinc/80/37/40/386803740.db2.gz DCIWVOPFYACCMP-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000417857007 386804490 /nfs/dbraw/zinc/80/44/90/386804490.db2.gz NOEKMZYIMGUQQZ-ZJUUUORDSA-N 2 1 240.351 0.130 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH3+])C1 ZINC000417869958 386808994 /nfs/dbraw/zinc/80/89/94/386808994.db2.gz GQBLROHEQSSCKP-LLVKDONJSA-N 2 1 242.367 0.222 20 0 BCADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000425337684 386836771 /nfs/dbraw/zinc/83/67/71/386836771.db2.gz NJTJJJRSMYPEKA-HBNTYKKESA-N 2 1 230.377 0.537 20 0 BCADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000425337684 386836780 /nfs/dbraw/zinc/83/67/80/386836780.db2.gz NJTJJJRSMYPEKA-HBNTYKKESA-N 2 1 230.377 0.537 20 0 BCADMP COC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334786451 386847435 /nfs/dbraw/zinc/84/74/35/386847435.db2.gz SGUWMZBETCWQHE-UHFFFAOYSA-N 2 1 212.293 0.235 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336744609 386871146 /nfs/dbraw/zinc/87/11/46/386871146.db2.gz ZNRPRKFUHXFRGC-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336744609 386871150 /nfs/dbraw/zinc/87/11/50/386871150.db2.gz ZNRPRKFUHXFRGC-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH+](C)C ZINC000341274503 386875382 /nfs/dbraw/zinc/87/53/82/386875382.db2.gz CBIMFARPHKICQX-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418010090 386882732 /nfs/dbraw/zinc/88/27/32/386882732.db2.gz VKDUBHXCHAPSGW-GMTAPVOTSA-N 2 1 242.367 0.376 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)CC[N@H+]1C ZINC000358049300 386886527 /nfs/dbraw/zinc/88/65/27/386886527.db2.gz QSRITLQOLPTHGK-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC000341372964 386895592 /nfs/dbraw/zinc/89/55/92/386895592.db2.gz OVRTUVHQERINTA-NEPJUHHUSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418012780 386905846 /nfs/dbraw/zinc/90/58/46/386905846.db2.gz YKNSVOBQXYXWLB-UTLUCORTSA-N 2 1 228.340 0.116 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358256381 386920922 /nfs/dbraw/zinc/92/09/22/386920922.db2.gz SNQHRVJXCFDEKL-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358256381 386920924 /nfs/dbraw/zinc/92/09/24/386920924.db2.gz SNQHRVJXCFDEKL-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCC[N@H+]1C ZINC000418013788 386921546 /nfs/dbraw/zinc/92/15/46/386921546.db2.gz ZQPVRIPNUXOEKC-GMTAPVOTSA-N 2 1 240.351 0.130 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000358264038 386924470 /nfs/dbraw/zinc/92/44/70/386924470.db2.gz YBUAZZRSTFDXJM-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000358264038 386924474 /nfs/dbraw/zinc/92/44/74/386924474.db2.gz YBUAZZRSTFDXJM-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000358284171 386926972 /nfs/dbraw/zinc/92/69/72/386926972.db2.gz FFPKTICXIVOAAY-DRZSPHRISA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000358284171 386926975 /nfs/dbraw/zinc/92/69/75/386926975.db2.gz FFPKTICXIVOAAY-DRZSPHRISA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000368007791 386928743 /nfs/dbraw/zinc/92/87/43/386928743.db2.gz RDHVALGQWZNWOH-HLTSFMKQSA-N 2 1 247.289 0.179 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335833854 386934442 /nfs/dbraw/zinc/93/44/42/386934442.db2.gz WZFHLIPZGIILTB-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000334877924 386938832 /nfs/dbraw/zinc/93/88/32/386938832.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000334877924 386938840 /nfs/dbraw/zinc/93/88/40/386938840.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000334877924 386938843 /nfs/dbraw/zinc/93/88/43/386938843.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000334877924 386938847 /nfs/dbraw/zinc/93/88/47/386938847.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000334877925 386939364 /nfs/dbraw/zinc/93/93/64/386939364.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000334877925 386939375 /nfs/dbraw/zinc/93/93/75/386939375.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000334877925 386939381 /nfs/dbraw/zinc/93/93/81/386939381.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000334877925 386939387 /nfs/dbraw/zinc/93/93/87/386939387.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000334817917 386946009 /nfs/dbraw/zinc/94/60/09/386946009.db2.gz ADYRUYNGEQSTPX-DGCLKSJQSA-N 3 1 225.380 0.903 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395198313 386982840 /nfs/dbraw/zinc/98/28/40/386982840.db2.gz UFKRWCVDNSLWKG-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368592154 386991516 /nfs/dbraw/zinc/99/15/16/386991516.db2.gz PMQFJOGHOPYBTP-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368592154 386991521 /nfs/dbraw/zinc/99/15/21/386991521.db2.gz PMQFJOGHOPYBTP-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334916599 386992598 /nfs/dbraw/zinc/99/25/98/386992598.db2.gz CPWZPUGBSKHNME-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000334920886 386997570 /nfs/dbraw/zinc/99/75/70/386997570.db2.gz BOFFHYPHPRCRNU-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358730581 387003371 /nfs/dbraw/zinc/00/33/71/387003371.db2.gz BMMFCYATLNBGLR-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368704030 387005653 /nfs/dbraw/zinc/00/56/53/387005653.db2.gz MTUYSEYHJLCXFH-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@@H]1CCCC[NH2+]1 ZINC000333346470 387030127 /nfs/dbraw/zinc/03/01/27/387030127.db2.gz ZIGXACVIHGGJSJ-TUAOUCFPSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334955433 387033668 /nfs/dbraw/zinc/03/36/68/387033668.db2.gz HKKKUMSLGKGDEF-QWRGUYRKSA-N 2 1 242.367 0.317 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000070074147 387044200 /nfs/dbraw/zinc/04/42/00/387044200.db2.gz OBBDDPNLCFBSST-CYBMUJFWSA-N 2 1 241.379 0.379 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000648108009 387051677 /nfs/dbraw/zinc/05/16/77/387051677.db2.gz LGPUMLHALRWNFM-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP COCC[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313388940 387052375 /nfs/dbraw/zinc/05/23/75/387052375.db2.gz LWLHCIULHGENBD-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000228058562 387063354 /nfs/dbraw/zinc/06/33/54/387063354.db2.gz HKHRDHDGUACDAV-CMPLNLGQSA-N 2 1 228.336 0.210 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368806467 387011291 /nfs/dbraw/zinc/01/12/91/387011291.db2.gz NZPVEXIRFFKWPM-PWSUYJOCSA-N 2 1 225.336 0.054 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)C ZINC000358784214 387013307 /nfs/dbraw/zinc/01/33/07/387013307.db2.gz CUTJDWSGOZGOFO-UHFFFAOYSA-N 2 1 215.341 0.395 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000053298594 387021582 /nfs/dbraw/zinc/02/15/82/387021582.db2.gz YCEHGYOXTVCGMD-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000519165898 387025019 /nfs/dbraw/zinc/02/50/19/387025019.db2.gz IAOJOXKQWMIUQB-CYDGBPFRSA-N 3 1 241.379 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000519165898 387025024 /nfs/dbraw/zinc/02/50/24/387025024.db2.gz IAOJOXKQWMIUQB-CYDGBPFRSA-N 2 1 241.379 0.016 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949786 387027734 /nfs/dbraw/zinc/02/77/34/387027734.db2.gz BHHWLVGBIVJJMF-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333337838 387028397 /nfs/dbraw/zinc/02/83/97/387028397.db2.gz XKPBWOKEEGXTJU-DLOVCJGASA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000127131432 387078544 /nfs/dbraw/zinc/07/85/44/387078544.db2.gz HKOHWBUYNKXXKS-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000228329753 387080990 /nfs/dbraw/zinc/08/09/90/387080990.db2.gz MIVYOKMNSPYMCG-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000228329753 387080994 /nfs/dbraw/zinc/08/09/94/387080994.db2.gz MIVYOKMNSPYMCG-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370304256 387107342 /nfs/dbraw/zinc/10/73/42/387107342.db2.gz XKWDHAUCPGLCGX-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC000119456212 387132371 /nfs/dbraw/zinc/13/23/71/387132371.db2.gz QCIBDOVOWLACPH-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000352401734 387148129 /nfs/dbraw/zinc/14/81/29/387148129.db2.gz RYHVSAOOLSVDFI-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423343258 387192585 /nfs/dbraw/zinc/19/25/85/387192585.db2.gz ZQDQRAUDVJJEML-ZJUUUORDSA-N 2 1 246.318 0.660 20 0 BCADMP CCC[NH2+]CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423313496 387151076 /nfs/dbraw/zinc/15/10/76/387151076.db2.gz ULYKANSQSRJLDP-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CCC[NH2+]CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000423313494 387151166 /nfs/dbraw/zinc/15/11/66/387151166.db2.gz ULYKANSQSRJLDP-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000423327480 387169836 /nfs/dbraw/zinc/16/98/36/387169836.db2.gz RQMYRDWBKZLCRY-WCQGTBRESA-N 2 1 211.353 0.654 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062904266 387180214 /nfs/dbraw/zinc/18/02/14/387180214.db2.gz KDXYLTGZXGGHFV-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622507 387186493 /nfs/dbraw/zinc/18/64/93/387186493.db2.gz KJZWSUIFIAPKKQ-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCO ZINC000371295806 387186888 /nfs/dbraw/zinc/18/68/88/387186888.db2.gz VEHGALUOJVWTFZ-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000571909137 387190122 /nfs/dbraw/zinc/19/01/22/387190122.db2.gz ZXZACLWZQSHTSE-PWSUYJOCSA-N 2 1 248.330 0.149 20 0 BCADMP CCCCNC(=O)CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000359912877 387190947 /nfs/dbraw/zinc/19/09/47/387190947.db2.gz PPPZSWQENJOEKW-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000359912877 387190948 /nfs/dbraw/zinc/19/09/48/387190948.db2.gz PPPZSWQENJOEKW-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359912877 387190955 /nfs/dbraw/zinc/19/09/55/387190955.db2.gz PPPZSWQENJOEKW-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359912877 387190958 /nfs/dbraw/zinc/19/09/58/387190958.db2.gz PPPZSWQENJOEKW-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1c(C[NH2+]C[C@]2(C)CC[NH2+]C2)cnn1C ZINC000571882184 387191785 /nfs/dbraw/zinc/19/17/85/387191785.db2.gz RKBQCIDGHHPPCA-GFCCVEGCSA-N 2 1 222.336 0.818 20 0 BCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH3+] ZINC000418101076 387132938 /nfs/dbraw/zinc/13/29/38/387132938.db2.gz QXSFHFMQQXEJGA-SNVBAGLBSA-N 2 1 242.367 0.365 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC000119445450 387133745 /nfs/dbraw/zinc/13/37/45/387133745.db2.gz QCIBDOVOWLACPH-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423305003 387138914 /nfs/dbraw/zinc/13/89/14/387138914.db2.gz ZXECVMNEDAPHCW-GMTAPVOTSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423305003 387138919 /nfs/dbraw/zinc/13/89/19/387138919.db2.gz ZXECVMNEDAPHCW-GMTAPVOTSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000248488853 387138945 /nfs/dbraw/zinc/13/89/45/387138945.db2.gz MPNKOCCDGXTYSA-FIQHERPVSA-N 2 1 239.363 0.665 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000418188079 387206215 /nfs/dbraw/zinc/20/62/15/387206215.db2.gz SJNGFHRZTJNZIT-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP C[N@@H+](CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423355988 387207129 /nfs/dbraw/zinc/20/71/29/387207129.db2.gz GEVRAAUKUBIVQW-UHFFFAOYSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000423361701 387213317 /nfs/dbraw/zinc/21/33/17/387213317.db2.gz MMICHEJUQDNEQJ-WISYIIOYSA-N 2 1 212.337 0.999 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423364995 387215151 /nfs/dbraw/zinc/21/51/51/387215151.db2.gz ZOMXWGOXZVNWKF-WZRBSPASSA-N 2 1 237.347 0.339 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000418202981 387217065 /nfs/dbraw/zinc/21/70/65/387217065.db2.gz UUYANDMEANYWDX-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000418204416 387217515 /nfs/dbraw/zinc/21/75/15/387217515.db2.gz XQQFXTKQXGEPHS-QWRGUYRKSA-N 2 1 244.383 0.752 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000352460721 387226934 /nfs/dbraw/zinc/22/69/34/387226934.db2.gz GOJSDUUSHXZRBS-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000352460721 387226940 /nfs/dbraw/zinc/22/69/40/387226940.db2.gz GOJSDUUSHXZRBS-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000352460721 387226948 /nfs/dbraw/zinc/22/69/48/387226948.db2.gz GOJSDUUSHXZRBS-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP COCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400602956 387231944 /nfs/dbraw/zinc/23/19/44/387231944.db2.gz XBLMGNOLWPDYQT-QWRGUYRKSA-N 2 1 216.325 0.380 20 0 BCADMP CC[N@@H+](CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423399130 387235063 /nfs/dbraw/zinc/23/50/63/387235063.db2.gz PKKGOISBCVLPLV-UHFFFAOYSA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@@H+](CCNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000423408441 387243078 /nfs/dbraw/zinc/24/30/78/387243078.db2.gz XMQHNANETPEXIY-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C(C)C ZINC000423406814 387244445 /nfs/dbraw/zinc/24/44/45/387244445.db2.gz VCHUCMZVRGHTEI-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@H]21 ZINC000423420055 387248422 /nfs/dbraw/zinc/24/84/22/387248422.db2.gz AQZUNBCJMHXBHN-WCQYUDONSA-N 2 1 235.375 0.667 20 0 BCADMP COC[C@]1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCC[NH2+]1 ZINC000423422871 387251025 /nfs/dbraw/zinc/25/10/25/387251025.db2.gz ZIZCFOBBZGDCQN-YNEHKIRRSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)CN ZINC000423349831 387199407 /nfs/dbraw/zinc/19/94/07/387199407.db2.gz XSQFVVWXUKQGKQ-QMMMGPOBSA-N 2 1 209.284 0.688 20 0 BCADMP C[C@@H](CCCC[NH3+])NCC(F)(F)C[NH3+] ZINC000423349831 387199412 /nfs/dbraw/zinc/19/94/12/387199412.db2.gz XSQFVVWXUKQGKQ-QMMMGPOBSA-N 2 1 209.284 0.688 20 0 BCADMP COC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423426670 387252420 /nfs/dbraw/zinc/25/24/20/387252420.db2.gz NHBXVZFXCKLBOG-STQMWFEESA-N 2 1 242.363 0.770 20 0 BCADMP C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C[C@@H]1C[NH3+] ZINC000571935982 387201594 /nfs/dbraw/zinc/20/15/94/387201594.db2.gz RNWMMUIDTSNCPS-BDAKNGLRSA-N 2 1 249.305 0.414 20 0 BCADMP C[NH2+][C@H](C)c1cn(CCCc2c[nH+]cn2C)nn1 ZINC000314024566 387316850 /nfs/dbraw/zinc/31/68/50/387316850.db2.gz JRWGYAOKOBADEE-SNVBAGLBSA-N 2 1 248.334 0.925 20 0 BCADMP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@@H+](C)C1CC1 ZINC000423385499 387268755 /nfs/dbraw/zinc/26/87/55/387268755.db2.gz QVAWMYLEFDQWGM-BREBYQMCSA-N 2 1 237.347 0.337 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684831 387269661 /nfs/dbraw/zinc/26/96/61/387269661.db2.gz HXSZYMGTOBRFEL-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645684892 387269761 /nfs/dbraw/zinc/26/97/61/387269761.db2.gz LXDGDUHNVNKYNB-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372105925 387273709 /nfs/dbraw/zinc/27/37/09/387273709.db2.gz SOOHBGSOADGGQE-LOWDOPEQSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372105925 387273715 /nfs/dbraw/zinc/27/37/15/387273715.db2.gz SOOHBGSOADGGQE-LOWDOPEQSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372105925 387273721 /nfs/dbraw/zinc/27/37/21/387273721.db2.gz SOOHBGSOADGGQE-LOWDOPEQSA-N 2 1 249.358 0.291 20 0 BCADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000643498947 387277317 /nfs/dbraw/zinc/27/73/17/387277317.db2.gz ZSCLVFMNUXPRJV-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000643498947 387277320 /nfs/dbraw/zinc/27/73/20/387277320.db2.gz ZSCLVFMNUXPRJV-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000643498947 387277324 /nfs/dbraw/zinc/27/73/24/387277324.db2.gz ZSCLVFMNUXPRJV-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423393109 387279316 /nfs/dbraw/zinc/27/93/16/387279316.db2.gz YKHMKAONZRRYIN-TUAOUCFPSA-N 2 1 213.369 0.914 20 0 BCADMP CC[NH2+]CCCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000643499229 387285621 /nfs/dbraw/zinc/28/56/21/387285621.db2.gz LOHAVVMUYDEGQL-NWDGAFQWSA-N 2 1 229.368 0.343 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000514792230 387292401 /nfs/dbraw/zinc/29/24/01/387292401.db2.gz IZCQRABCOWETDS-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000514797907 387293967 /nfs/dbraw/zinc/29/39/67/387293967.db2.gz GWKYERUCJVYVSD-MWLCHTKSSA-N 2 1 225.336 0.289 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000514797907 387293972 /nfs/dbraw/zinc/29/39/72/387293972.db2.gz GWKYERUCJVYVSD-MWLCHTKSSA-N 2 1 225.336 0.289 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000514797905 387295506 /nfs/dbraw/zinc/29/55/06/387295506.db2.gz GWKYERUCJVYVSD-KOLCDFICSA-N 2 1 225.336 0.289 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000514797905 387295511 /nfs/dbraw/zinc/29/55/11/387295511.db2.gz GWKYERUCJVYVSD-KOLCDFICSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121186889 387307242 /nfs/dbraw/zinc/30/72/42/387307242.db2.gz JDDLDFKYRSGJOJ-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC(=O)NCC1CC1 ZINC000392999757 387308049 /nfs/dbraw/zinc/30/80/49/387308049.db2.gz WKVZYYJMTZXVFZ-ZYHUDNBSSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC[N@H+]1C ZINC000648121471 387309123 /nfs/dbraw/zinc/30/91/23/387309123.db2.gz OQCXCBQHLMRJKQ-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423530287 387358911 /nfs/dbraw/zinc/35/89/11/387358911.db2.gz YTHMCPWGTZDFCU-YNEHKIRRSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000423530853 387359069 /nfs/dbraw/zinc/35/90/69/387359069.db2.gz XJICVMBAUYHZIN-RAIGVLPGSA-N 2 1 239.363 0.047 20 0 BCADMP CC(C)[C@@H](C(=O)NCC(F)(F)C[NH3+])[C@@H](C)[NH3+] ZINC000423540345 387365579 /nfs/dbraw/zinc/36/55/79/387365579.db2.gz JTTXKIRKTHLJMQ-HTQZYQBOSA-N 2 1 237.294 0.316 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483816 387329755 /nfs/dbraw/zinc/32/97/55/387329755.db2.gz RRONOWMVPUMXDN-VWYCJHECSA-N 2 1 247.333 0.913 20 0 BCADMP CC(C)C1CC([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423510278 387344617 /nfs/dbraw/zinc/34/46/17/387344617.db2.gz JLXJLZVMZGKYPA-WXRRBKDZSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423513463 387348466 /nfs/dbraw/zinc/34/84/66/387348466.db2.gz LRBJBSWSODLGHF-DGCLKSJQSA-N 2 1 237.347 0.704 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1C[C@H]1C ZINC000423515258 387350498 /nfs/dbraw/zinc/35/04/98/387350498.db2.gz MYCZSSWAHMLEIN-RHYQMDGZSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1C[C@H]1C ZINC000423515259 387351060 /nfs/dbraw/zinc/35/10/60/387351060.db2.gz MYCZSSWAHMLEIN-WYUUTHIRSA-N 2 1 211.353 0.524 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000360811383 387352527 /nfs/dbraw/zinc/35/25/27/387352527.db2.gz CPTSNRVNRJAJIG-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374157924 387428125 /nfs/dbraw/zinc/42/81/25/387428125.db2.gz GPQWTKCHCYRUBS-UMSGYPCISA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374157924 387428129 /nfs/dbraw/zinc/42/81/29/387428129.db2.gz GPQWTKCHCYRUBS-UMSGYPCISA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374157924 387428131 /nfs/dbraw/zinc/42/81/31/387428131.db2.gz GPQWTKCHCYRUBS-UMSGYPCISA-N 2 1 224.348 0.783 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(C)(C)C[NH3+] ZINC000423849538 387433419 /nfs/dbraw/zinc/43/34/19/387433419.db2.gz PIMHOILRHZSGNF-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP CCCC[N@@H+](C)CCNC1=[NH+]CCCN1 ZINC000304082400 387434022 /nfs/dbraw/zinc/43/40/22/387434022.db2.gz YYKSHUOCAOJRJF-UHFFFAOYSA-N 2 1 212.341 0.657 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423845197 387434354 /nfs/dbraw/zinc/43/43/54/387434354.db2.gz KBFWPIKVJHDQIE-LBPRGKRZSA-N 2 1 241.379 0.770 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423845656 387435463 /nfs/dbraw/zinc/43/54/63/387435463.db2.gz KNTLADRVHUEUBZ-ZDUSSCGKSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423848639 387435680 /nfs/dbraw/zinc/43/56/80/387435680.db2.gz OHAMXVCXXVNHSU-JTQLQIEISA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423848641 387435744 /nfs/dbraw/zinc/43/57/44/387435744.db2.gz OHAMXVCXXVNHSU-SNVBAGLBSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423856004 387437199 /nfs/dbraw/zinc/43/71/99/387437199.db2.gz XVQMHFXLSQNOJO-SECBINFHSA-N 2 1 213.325 0.276 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000423855440 387437799 /nfs/dbraw/zinc/43/77/99/387437799.db2.gz XDQMMDZVLJUPOH-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945352 387456115 /nfs/dbraw/zinc/45/61/15/387456115.db2.gz AUTPTHBJPDMCCY-SNVBAGLBSA-N 2 1 229.368 0.816 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423656639 387391561 /nfs/dbraw/zinc/39/15/61/387391561.db2.gz XICAELQFNMYBCA-QJPTWQEYSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[N@H+]1C ZINC000648112101 387394448 /nfs/dbraw/zinc/39/44/48/387394448.db2.gz UOJVDJSGVXMKLP-QCNOEVLYSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)C[NH3+] ZINC000423767083 387418327 /nfs/dbraw/zinc/41/83/27/387418327.db2.gz DFHOMABPLBNIIR-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000423772487 387421200 /nfs/dbraw/zinc/42/12/00/387421200.db2.gz LFYCNYVSAGJYKN-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474906 387496318 /nfs/dbraw/zinc/49/63/18/387496318.db2.gz MDAMZZNTSZATSU-XQHKEYJVSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474906 387496323 /nfs/dbraw/zinc/49/63/23/387496323.db2.gz MDAMZZNTSZATSU-XQHKEYJVSA-N 2 1 241.379 0.436 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+](C)C ZINC000422016421 387538583 /nfs/dbraw/zinc/53/85/83/387538583.db2.gz GQEVFTVRQLUKMB-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[NH+](C)C ZINC000422016421 387538587 /nfs/dbraw/zinc/53/85/87/387538587.db2.gz GQEVFTVRQLUKMB-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000516192284 387472717 /nfs/dbraw/zinc/47/27/17/387472717.db2.gz YCIFCYSYPASMMC-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507198 387475580 /nfs/dbraw/zinc/47/55/80/387475580.db2.gz VNVFJIJJSVVZSB-ZWNOBZJWSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643474571 387492483 /nfs/dbraw/zinc/49/24/83/387492483.db2.gz QEKDJEFPFMZLLK-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643474571 387492488 /nfs/dbraw/zinc/49/24/88/387492488.db2.gz QEKDJEFPFMZLLK-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](N(C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806281 387596232 /nfs/dbraw/zinc/59/62/32/387596232.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424127893 387603118 /nfs/dbraw/zinc/60/31/18/387603118.db2.gz DQMGAIRZEWIMIR-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP C[N@@H+](CCNC(=O)NC(C)(C)CC[NH3+])C1CC1 ZINC000422590611 387604322 /nfs/dbraw/zinc/60/43/22/387604322.db2.gz ASGWFYAKKSSJHJ-UHFFFAOYSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422603795 387604377 /nfs/dbraw/zinc/60/43/77/387604377.db2.gz ADFSFYYMYVYADX-GHMZBOCLSA-N 2 1 242.367 0.317 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606653 387605227 /nfs/dbraw/zinc/60/52/27/387605227.db2.gz JHKGTTTWUXQXHK-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CC[NH2+]CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422611779 387606948 /nfs/dbraw/zinc/60/69/48/387606948.db2.gz SUEGBMDYIAUBDX-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000124702732 387629226 /nfs/dbraw/zinc/62/92/26/387629226.db2.gz SWDQXWJSBNAQGM-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687713 387613716 /nfs/dbraw/zinc/61/37/16/387613716.db2.gz BYKASLQYIHTPCT-JHJVBQTASA-N 2 1 225.380 0.916 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422712260 387626409 /nfs/dbraw/zinc/62/64/09/387626409.db2.gz NUDKDOZLQUYEDE-JHJVBQTASA-N 2 1 241.379 0.567 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422712260 387626412 /nfs/dbraw/zinc/62/64/12/387626412.db2.gz NUDKDOZLQUYEDE-JHJVBQTASA-N 2 1 241.379 0.567 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430548921 387627104 /nfs/dbraw/zinc/62/71/04/387627104.db2.gz WUAIPDQYVWJHAH-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCSCC1 ZINC000422718038 387630050 /nfs/dbraw/zinc/63/00/50/387630050.db2.gz WQWFFDUFYXWYLE-RYUDHWBXSA-N 2 1 243.420 0.623 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631369 /nfs/dbraw/zinc/63/13/69/387631369.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631374 /nfs/dbraw/zinc/63/13/74/387631374.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422734822 387642742 /nfs/dbraw/zinc/64/27/42/387642742.db2.gz CZZGNRMMELYPSI-IJLUTSLNSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430741805 387646778 /nfs/dbraw/zinc/64/67/78/387646778.db2.gz FAWGICLFOIDAFB-MXWKQRLJSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422746166 387650217 /nfs/dbraw/zinc/65/02/17/387650217.db2.gz WBVXXFJVAAEFJY-DCAQKATOSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422746166 387650222 /nfs/dbraw/zinc/65/02/22/387650222.db2.gz WBVXXFJVAAEFJY-DCAQKATOSA-N 2 1 211.353 0.939 20 0 BCADMP COCCOCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422793913 387695316 /nfs/dbraw/zinc/69/53/16/387695316.db2.gz XQGULAARKGCTFH-RYUDHWBXSA-N 2 1 230.352 0.627 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)CC[NH3+])CC[N@H+]1C ZINC000430792116 387651602 /nfs/dbraw/zinc/65/16/02/387651602.db2.gz HCKXFQYXZJCXNL-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430890634 387657960 /nfs/dbraw/zinc/65/79/60/387657960.db2.gz RHEYCIBDLHKVTP-NEPJUHHUSA-N 2 1 239.363 0.665 20 0 BCADMP CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430898987 387658780 /nfs/dbraw/zinc/65/87/80/387658780.db2.gz YLBWTAFKHAWYKR-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430896932 387659249 /nfs/dbraw/zinc/65/92/49/387659249.db2.gz LRKJVBATWGHPFJ-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP CN(C(=O)CCC[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430899808 387659354 /nfs/dbraw/zinc/65/93/54/387659354.db2.gz NMRFWPMFIOZUSZ-LLVKDONJSA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422758173 387660843 /nfs/dbraw/zinc/66/08/43/387660843.db2.gz NPYYBIWORGQOPP-UTUOFQBUSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]1C[N@@H+](CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919578 387661078 /nfs/dbraw/zinc/66/10/78/387661078.db2.gz LRJNCNGQJAOXFF-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430917055 387661982 /nfs/dbraw/zinc/66/19/82/387661982.db2.gz JBGUGDACUZUKNM-JTQLQIEISA-N 2 1 241.360 0.499 20 0 BCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430917055 387661985 /nfs/dbraw/zinc/66/19/85/387661985.db2.gz JBGUGDACUZUKNM-JTQLQIEISA-N 2 1 241.360 0.499 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000430955889 387663589 /nfs/dbraw/zinc/66/35/89/387663589.db2.gz BHODYWSEYKCSST-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000430955889 387663594 /nfs/dbraw/zinc/66/35/94/387663594.db2.gz BHODYWSEYKCSST-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000430955890 387664140 /nfs/dbraw/zinc/66/41/40/387664140.db2.gz BHODYWSEYKCSST-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000430955890 387664145 /nfs/dbraw/zinc/66/41/45/387664145.db2.gz BHODYWSEYKCSST-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CCCCNC(=O)CC[NH+]1CCC([NH2+]C)CC1 ZINC000430965814 387665443 /nfs/dbraw/zinc/66/54/43/387665443.db2.gz MNKKCBFKKWFGDF-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430963328 387665922 /nfs/dbraw/zinc/66/59/22/387665922.db2.gz UHWADGNCWSWPGM-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430963328 387665928 /nfs/dbraw/zinc/66/59/28/387665928.db2.gz UHWADGNCWSWPGM-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430963329 387666304 /nfs/dbraw/zinc/66/63/04/387666304.db2.gz UHWADGNCWSWPGM-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430963329 387666310 /nfs/dbraw/zinc/66/63/10/387666310.db2.gz UHWADGNCWSWPGM-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769019 387667109 /nfs/dbraw/zinc/66/71/09/387667109.db2.gz ZWRAGSZWFABDRJ-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769018 387667867 /nfs/dbraw/zinc/66/78/67/387667867.db2.gz ZWRAGSZWFABDRJ-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025367 387669994 /nfs/dbraw/zinc/66/99/94/387669994.db2.gz YZKCFKPIIMPVKR-CKYFFXLPSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])C1CC[NH+](C)CC1 ZINC000643519932 387673443 /nfs/dbraw/zinc/67/34/43/387673443.db2.gz JAHGZQPLOANVLP-SECBINFHSA-N 2 1 235.322 0.900 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139001 387675015 /nfs/dbraw/zinc/67/50/15/387675015.db2.gz DRTYCTNMYTYPDW-DBIOUOCHSA-N 2 1 223.320 0.029 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422777191 387675478 /nfs/dbraw/zinc/67/54/78/387675478.db2.gz FQJLDNMVRDCVCW-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422786193 387686608 /nfs/dbraw/zinc/68/66/08/387686608.db2.gz SIOUCYMWYWSUHG-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000422742955 387689600 /nfs/dbraw/zinc/68/96/00/387689600.db2.gz HJQUWHPLFREFLI-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743551 387690203 /nfs/dbraw/zinc/69/02/03/387690203.db2.gz RSALLRSFYKULGN-MDZLAQPJSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862206 387743488 /nfs/dbraw/zinc/74/34/88/387743488.db2.gz PISMDUHMYFMUJG-NEPJUHHUSA-N 2 1 225.380 0.916 20 0 BCADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H]1N ZINC000422871840 387749086 /nfs/dbraw/zinc/74/90/86/387749086.db2.gz ZUFQTKIMYPIRBR-AGIUHOORSA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422871840 387749092 /nfs/dbraw/zinc/74/90/92/387749092.db2.gz ZUFQTKIMYPIRBR-AGIUHOORSA-N 2 1 243.395 0.813 20 0 BCADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643525710 387752448 /nfs/dbraw/zinc/75/24/48/387752448.db2.gz CDSKNXSTZYAFFG-ZJUUUORDSA-N 2 1 246.318 0.660 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424141121 387700393 /nfs/dbraw/zinc/70/03/93/387700393.db2.gz WVECMTNJWYVLAL-ZJUUUORDSA-N 2 1 222.292 0.045 20 0 BCADMP CC[N@@H+](CCN[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877289 387755050 /nfs/dbraw/zinc/75/50/50/387755050.db2.gz HRODADAHPSUIOR-JTQLQIEISA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000127336492 387713012 /nfs/dbraw/zinc/71/30/12/387713012.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127336492 387713016 /nfs/dbraw/zinc/71/30/16/387713016.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127336492 387713021 /nfs/dbraw/zinc/71/30/21/387713021.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cccn1 ZINC000422815714 387715507 /nfs/dbraw/zinc/71/55/07/387715507.db2.gz YDJLBKTUAMATON-RYUDHWBXSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cccn1 ZINC000422815713 387715574 /nfs/dbraw/zinc/71/55/74/387715574.db2.gz YDJLBKTUAMATON-NWDGAFQWSA-N 2 1 222.336 0.861 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000356806189 387723929 /nfs/dbraw/zinc/72/39/29/387723929.db2.gz MNKUVUROOVUGTD-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000356806189 387723934 /nfs/dbraw/zinc/72/39/34/387723934.db2.gz MNKUVUROOVUGTD-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000356806189 387723938 /nfs/dbraw/zinc/72/39/38/387723938.db2.gz MNKUVUROOVUGTD-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000356845843 387729827 /nfs/dbraw/zinc/72/98/27/387729827.db2.gz JAQPXBKHQBURAP-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000356845843 387729833 /nfs/dbraw/zinc/72/98/33/387729833.db2.gz JAQPXBKHQBURAP-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356845843 387729836 /nfs/dbraw/zinc/72/98/36/387729836.db2.gz JAQPXBKHQBURAP-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000356845843 387729840 /nfs/dbraw/zinc/72/98/40/387729840.db2.gz JAQPXBKHQBURAP-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422843748 387730354 /nfs/dbraw/zinc/73/03/54/387730354.db2.gz JIOVJFZMOJVXHC-VXGBXAGGSA-N 2 1 229.368 0.424 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143902 387755743 /nfs/dbraw/zinc/75/57/43/387755743.db2.gz KCXQGCLFFFSVKN-KKOKHZNYSA-N 2 1 237.347 0.419 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422841395 387732203 /nfs/dbraw/zinc/73/22/03/387732203.db2.gz CWOQYDVKLSURRM-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422841395 387732207 /nfs/dbraw/zinc/73/22/07/387732207.db2.gz CWOQYDVKLSURRM-OLZOCXBDSA-N 3 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422841395 387732209 /nfs/dbraw/zinc/73/22/09/387732209.db2.gz CWOQYDVKLSURRM-OLZOCXBDSA-N 3 1 243.395 0.672 20 0 BCADMP COCCN(C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422841395 387732217 /nfs/dbraw/zinc/73/22/17/387732217.db2.gz CWOQYDVKLSURRM-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000422876879 387755869 /nfs/dbraw/zinc/75/58/69/387755869.db2.gz QVUUYRYAZREPTG-XEZLXBQYSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422876879 387755875 /nfs/dbraw/zinc/75/58/75/387755875.db2.gz QVUUYRYAZREPTG-XEZLXBQYSA-N 2 1 223.364 0.939 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424142531 387733822 /nfs/dbraw/zinc/73/38/22/387733822.db2.gz YKHXNEBCUBMROU-XWLWVQCSSA-N 2 1 223.320 0.077 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422848133 387735311 /nfs/dbraw/zinc/73/53/11/387735311.db2.gz SNPJDISCMZKOBH-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP CC[N@@H+](CCN[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877399 387756099 /nfs/dbraw/zinc/75/60/99/387756099.db2.gz HRODADAHPSUIOR-SNVBAGLBSA-N 2 1 211.353 0.668 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892901 387762603 /nfs/dbraw/zinc/76/26/03/387762603.db2.gz ZSDWLCWJDGTOBS-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892907 387763135 /nfs/dbraw/zinc/76/31/35/387763135.db2.gz ZSDWLCWJDGTOBS-XQQFMLRXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]1 ZINC000422897770 387765070 /nfs/dbraw/zinc/76/50/70/387765070.db2.gz CSTRFOWYWHOWTK-GRYCIOLGSA-N 2 1 211.353 0.811 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422904538 387767540 /nfs/dbraw/zinc/76/75/40/387767540.db2.gz GXMACHKFKSENJC-NWDGAFQWSA-N 2 1 229.368 0.152 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422904539 387767783 /nfs/dbraw/zinc/76/77/83/387767783.db2.gz GXMACHKFKSENJC-RYUDHWBXSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000422908558 387769394 /nfs/dbraw/zinc/76/93/94/387769394.db2.gz YQJDENBXVDVLJQ-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CO[C@H](C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422908126 387770058 /nfs/dbraw/zinc/77/00/58/387770058.db2.gz YEZOYEGRLXVDIG-AXFHLTTASA-N 2 1 200.326 0.999 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CC12CC2 ZINC000527889627 387774473 /nfs/dbraw/zinc/77/44/73/387774473.db2.gz HMJZZRIDWWAPLT-DMDPSCGWSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527889627 387774478 /nfs/dbraw/zinc/77/44/78/387774478.db2.gz HMJZZRIDWWAPLT-DMDPSCGWSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000643529317 387776619 /nfs/dbraw/zinc/77/66/19/387776619.db2.gz YMGXPCQSPJZSGX-VHSXEESVSA-N 2 1 246.318 0.660 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422901818 387787141 /nfs/dbraw/zinc/78/71/41/387787141.db2.gz CLDNGECAJUVUDL-QWRGUYRKSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@@H]([NH3+])CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000442650369 387812793 /nfs/dbraw/zinc/81/27/93/387812793.db2.gz PBLDIFYHPHFPFH-CHWSQXEVSA-N 2 1 241.379 0.520 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979525 387789034 /nfs/dbraw/zinc/78/90/34/387789034.db2.gz MYXMJFBVCZUYSP-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422980416 387791621 /nfs/dbraw/zinc/79/16/21/387791621.db2.gz PJURWBWCSVZRIM-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000050393970 387794176 /nfs/dbraw/zinc/79/41/76/387794176.db2.gz DSRQOJCRWZPBAT-LBPRGKRZSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422988854 387797263 /nfs/dbraw/zinc/79/72/63/387797263.db2.gz ACNQGZDLBJJYEN-SDDRHHMPSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422989666 387798877 /nfs/dbraw/zinc/79/88/77/387798877.db2.gz BAOXZNSLGUJVMU-GARJFASQSA-N 2 1 230.377 0.585 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCC[NH2+]1 ZINC000422989669 387798913 /nfs/dbraw/zinc/79/89/13/387798913.db2.gz BAOXZNSLGUJVMU-MXWKQRLJSA-N 2 1 230.377 0.585 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422959840 387811561 /nfs/dbraw/zinc/81/15/61/387811561.db2.gz ABPKXFPVVOCPKM-MNOVXSKESA-N 2 1 241.379 0.736 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882204 387757963 /nfs/dbraw/zinc/75/79/63/387757963.db2.gz ANSOPOXLIDFQHJ-AVGNSLFASA-N 2 1 241.379 0.424 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882204 387757966 /nfs/dbraw/zinc/75/79/66/387757966.db2.gz ANSOPOXLIDFQHJ-AVGNSLFASA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH2+]C ZINC000418321281 387821919 /nfs/dbraw/zinc/82/19/19/387821919.db2.gz YJIVXDODORCRKP-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000162710111 387823513 /nfs/dbraw/zinc/82/35/13/387823513.db2.gz IRJKAFVKPHZVDF-JTQLQIEISA-N 2 1 208.309 0.509 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537373 387874850 /nfs/dbraw/zinc/87/48/50/387874850.db2.gz GGAHJMNPXJNKJY-XWLWVQCSSA-N 2 1 215.316 0.226 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423007403 387828545 /nfs/dbraw/zinc/82/85/45/387828545.db2.gz QRBKDABNUMECKD-HBNTYKKESA-N 2 1 200.326 0.733 20 0 BCADMP C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423007387 387830072 /nfs/dbraw/zinc/83/00/72/387830072.db2.gz QPFLKGQDLBDNEW-MXWKQRLJSA-N 2 1 200.326 0.593 20 0 BCADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000643459008 387830270 /nfs/dbraw/zinc/83/02/70/387830270.db2.gz DIJFFDUEOXYSNW-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1COC1 ZINC000528026861 387831841 /nfs/dbraw/zinc/83/18/41/387831841.db2.gz REUAJOCJXHCRLE-CKYFFXLPSA-N 2 1 212.337 0.951 20 0 BCADMP COC[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151379992 387832093 /nfs/dbraw/zinc/83/20/93/387832093.db2.gz UXQINNGESYHOOX-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP COC[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151379931 387832725 /nfs/dbraw/zinc/83/27/25/387832725.db2.gz UXQINNGESYHOOX-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCCC[NH2+]1 ZINC000423011700 387833814 /nfs/dbraw/zinc/83/38/14/387833814.db2.gz ZVSBTFNXJJDMGN-AGIUHOORSA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCCC1=O ZINC000442774867 387836797 /nfs/dbraw/zinc/83/67/97/387836797.db2.gz DNIWCFIUNNGXTD-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000442792522 387840580 /nfs/dbraw/zinc/84/05/80/387840580.db2.gz QHVSIVAYKQVARA-UTUOFQBUSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423028571 387846093 /nfs/dbraw/zinc/84/60/93/387846093.db2.gz GSMKACKPQWNZIE-NAKRPEOUSA-N 2 1 200.326 0.733 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423031561 387846286 /nfs/dbraw/zinc/84/62/86/387846286.db2.gz XCUPJSCVPNYDNV-WHOHXGKFSA-N 2 1 239.363 0.631 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423031558 387847108 /nfs/dbraw/zinc/84/71/08/387847108.db2.gz XCUPJSCVPNYDNV-KKOKHZNYSA-N 2 1 239.363 0.631 20 0 BCADMP CC1=CC[N@@H+](CCN[C@H]2CC[NH2+]C2)CC1 ZINC000423039762 387853677 /nfs/dbraw/zinc/85/36/77/387853677.db2.gz ROENLICDDOLDDV-LBPRGKRZSA-N 2 1 209.337 0.590 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000423042174 387855320 /nfs/dbraw/zinc/85/53/20/387855320.db2.gz KJSCULXXTKJLFG-TUAOUCFPSA-N 2 1 230.352 0.768 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000528191571 387866703 /nfs/dbraw/zinc/86/67/03/387866703.db2.gz AQFKMGXUQRNDGX-NSHDSACASA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000528191571 387866709 /nfs/dbraw/zinc/86/67/09/387866709.db2.gz AQFKMGXUQRNDGX-NSHDSACASA-N 2 1 248.330 0.544 20 0 BCADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536239 387867346 /nfs/dbraw/zinc/86/73/46/387867346.db2.gz OZYMGANMVXZUOY-SRVKXCTJSA-N 3 1 223.364 0.859 20 0 BCADMP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000442654353 387815007 /nfs/dbraw/zinc/81/50/07/387815007.db2.gz BFIHYMWILKSGTA-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000442659390 387815079 /nfs/dbraw/zinc/81/50/79/387815079.db2.gz BMHPGKWBHCYAFI-MNOVXSKESA-N 2 1 223.324 0.337 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000442659390 387815080 /nfs/dbraw/zinc/81/50/80/387815080.db2.gz BMHPGKWBHCYAFI-MNOVXSKESA-N 2 1 223.324 0.337 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154240 387815807 /nfs/dbraw/zinc/81/58/07/387815807.db2.gz LGWJFRZEQNOSHT-YFKTTZPYSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000442667702 387818632 /nfs/dbraw/zinc/81/86/32/387818632.db2.gz ZRDLKLVNBDQFIP-SRVKXCTJSA-N 2 1 213.369 0.996 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422970005 387818647 /nfs/dbraw/zinc/81/86/47/387818647.db2.gz DWMKCESLFHXIGC-FRRDWIJNSA-N 2 1 244.379 0.750 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422969410 387818800 /nfs/dbraw/zinc/81/88/00/387818800.db2.gz UKMYKWNDFMIYTO-ZJUUUORDSA-N 2 1 227.352 0.346 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422969564 387818839 /nfs/dbraw/zinc/81/88/39/387818839.db2.gz DDABCXAEAXPYEO-RTXFEEFZSA-N 2 1 242.363 0.504 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000423104778 387891369 /nfs/dbraw/zinc/89/13/69/387891369.db2.gz MRBGLFPKOSXMTB-WDEREUQCSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000423104776 387891647 /nfs/dbraw/zinc/89/16/47/387891647.db2.gz MRBGLFPKOSXMTB-MNOVXSKESA-N 2 1 212.337 0.879 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157864284 387879931 /nfs/dbraw/zinc/87/99/31/387879931.db2.gz BZLFGZOCQVVPIX-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423086531 387880515 /nfs/dbraw/zinc/88/05/15/387880515.db2.gz MAGMQDKIMUBVHV-CQLXCSJHSA-N 2 1 242.363 0.647 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCCO1 ZINC000313358098 387887574 /nfs/dbraw/zinc/88/75/74/387887574.db2.gz SRKMHERXJXRBKT-VXGBXAGGSA-N 2 1 228.336 0.605 20 0 BCADMP Cc1nccnc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423139671 387918124 /nfs/dbraw/zinc/91/81/24/387918124.db2.gz WFYHKMJYPOERER-MFKMUULPSA-N 2 1 234.347 0.915 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423141546 387918750 /nfs/dbraw/zinc/91/87/50/387918750.db2.gz QOHOTBFTTQMEDH-SDDRHHMPSA-N 2 1 230.352 0.768 20 0 BCADMP Cc1nccnc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423139669 387915970 /nfs/dbraw/zinc/91/59/70/387915970.db2.gz WFYHKMJYPOERER-GWCFXTLKSA-N 2 1 234.347 0.915 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423154220 387931479 /nfs/dbraw/zinc/93/14/79/387931479.db2.gz IWHUPDQEDUYTPX-OUAUKWLOSA-N 2 1 227.352 0.631 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCCCO)CC[N@H+]1C ZINC000158151872 387935685 /nfs/dbraw/zinc/93/56/85/387935685.db2.gz XRPTUNGOCMCTMM-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423143953 387920863 /nfs/dbraw/zinc/92/08/63/387920863.db2.gz FQIKAADGXYTWGR-QJPTWQEYSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000423149944 387927678 /nfs/dbraw/zinc/92/76/78/387927678.db2.gz BGPFLYNOWYNJJY-VWYCJHECSA-N 2 1 227.352 0.631 20 0 BCADMP CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000423149939 387928148 /nfs/dbraw/zinc/92/81/48/387928148.db2.gz BGPFLYNOWYNJJY-AXFHLTTASA-N 2 1 227.352 0.631 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1CCn1cncn1)CC[NH2+]CC2 ZINC000424286113 387953258 /nfs/dbraw/zinc/95/32/58/387953258.db2.gz GZCUPJOECBNICQ-GFCCVEGCSA-N 2 1 249.362 0.742 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726687 387942148 /nfs/dbraw/zinc/94/21/48/387942148.db2.gz DBBJGEUQUUHWJV-FOGDFJRCSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](CCCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423164262 387945014 /nfs/dbraw/zinc/94/50/14/387945014.db2.gz WLVXZBUSDHLFSR-IJLUTSLNSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000423166995 387950725 /nfs/dbraw/zinc/95/07/25/387950725.db2.gz RRXXLKHXHBZRHQ-JLLWLGSASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423166994 387951004 /nfs/dbraw/zinc/95/10/04/387951004.db2.gz RRXXLKHXHBZRHQ-ADEWGFFLSA-N 2 1 212.337 0.878 20 0 BCADMP [NH3+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423175999 387961979 /nfs/dbraw/zinc/96/19/79/387961979.db2.gz BLDNHRIPFHREEG-MXWKQRLJSA-N 2 1 210.321 0.882 20 0 BCADMP [NH3+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423175998 387962203 /nfs/dbraw/zinc/96/22/03/387962203.db2.gz BLDNHRIPFHREEG-HBNTYKKESA-N 2 1 210.321 0.882 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000245673127 387970847 /nfs/dbraw/zinc/97/08/47/387970847.db2.gz FHLGJVVRBLYTHD-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000245673127 387970851 /nfs/dbraw/zinc/97/08/51/387970851.db2.gz FHLGJVVRBLYTHD-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000245673127 387970857 /nfs/dbraw/zinc/97/08/57/387970857.db2.gz FHLGJVVRBLYTHD-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@H]21 ZINC000245673127 387970858 /nfs/dbraw/zinc/97/08/58/387970858.db2.gz FHLGJVVRBLYTHD-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245695537 387973312 /nfs/dbraw/zinc/97/33/12/387973312.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245695537 387973315 /nfs/dbraw/zinc/97/33/15/387973315.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245695537 387973320 /nfs/dbraw/zinc/97/33/20/387973320.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423201266 387987925 /nfs/dbraw/zinc/98/79/25/387987925.db2.gz OGSCVBBTMPMLRY-GHMZBOCLSA-N 2 1 211.353 0.811 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000424364194 387990068 /nfs/dbraw/zinc/99/00/68/387990068.db2.gz DBFFKPOVKTZIID-MNOVXSKESA-N 3 1 247.333 0.820 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370985 387996900 /nfs/dbraw/zinc/99/69/00/387996900.db2.gz FLPMIKUPOMHMRF-IRCOFANPSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370985 387996905 /nfs/dbraw/zinc/99/69/05/387996905.db2.gz FLPMIKUPOMHMRF-IRCOFANPSA-N 2 1 211.353 0.796 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156617159 388008745 /nfs/dbraw/zinc/00/87/45/388008745.db2.gz WEVZKWFKILNGDC-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000423230643 388015092 /nfs/dbraw/zinc/01/50/92/388015092.db2.gz DXYBWWYWCFBCKF-GHMZBOCLSA-N 2 1 237.351 0.743 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000446369818 388016336 /nfs/dbraw/zinc/01/63/36/388016336.db2.gz OQVMXYUGNLLGJF-DCAQKATOSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415508 388016711 /nfs/dbraw/zinc/01/67/11/388016711.db2.gz VNIVRVVQKYSUAU-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250489 388033479 /nfs/dbraw/zinc/03/34/79/388033479.db2.gz QJIOSZOGKDGSFE-GRYCIOLGSA-N 3 1 211.353 0.574 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000446821668 388040621 /nfs/dbraw/zinc/04/06/21/388040621.db2.gz ROWLRJVYNZUUEQ-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423244459 388027927 /nfs/dbraw/zinc/02/79/27/388027927.db2.gz XNZPYUYKRNKLMG-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248761 388031246 /nfs/dbraw/zinc/03/12/46/388031246.db2.gz NSOBSFVEBKUXGH-TUAOUCFPSA-N 2 1 211.353 0.716 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423249468 388031495 /nfs/dbraw/zinc/03/14/95/388031495.db2.gz SEHQMCXGAJOIEV-OUAUKWLOSA-N 2 1 228.336 0.773 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)C[NH2+]C)C1 ZINC000423277347 388059089 /nfs/dbraw/zinc/05/90/89/388059089.db2.gz PXLXMLBCRWYYSP-SDDRHHMPSA-N 2 1 213.369 0.772 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C[NH2+]C)C1 ZINC000423277347 388059093 /nfs/dbraw/zinc/05/90/93/388059093.db2.gz PXLXMLBCRWYYSP-SDDRHHMPSA-N 2 1 213.369 0.772 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083903357 388065079 /nfs/dbraw/zinc/06/50/79/388065079.db2.gz DNXFMMHENCIWTO-NSHDSACASA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423284884 388069908 /nfs/dbraw/zinc/06/99/08/388069908.db2.gz XIVUBDKXMLUFGW-DLOVCJGASA-N 2 1 211.353 0.654 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000085368461 388086529 /nfs/dbraw/zinc/08/65/29/388086529.db2.gz MOBNGBUJBDDESE-IJLUTSLNSA-N 2 1 237.347 0.420 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975891 388097325 /nfs/dbraw/zinc/09/73/25/388097325.db2.gz TVRGTDWJLTVNKT-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000195120185 388098273 /nfs/dbraw/zinc/09/82/73/388098273.db2.gz SZTOGVXJNAWVSB-NSHDSACASA-N 2 1 221.304 0.364 20 0 BCADMP CCOC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000118954218 388100476 /nfs/dbraw/zinc/10/04/76/388100476.db2.gz ANXGHGNGIGWDCJ-CYBMUJFWSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447914269 388102375 /nfs/dbraw/zinc/10/23/75/388102375.db2.gz OSFHEUMKXGXGKL-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](CCOCCO)CC1CC[NH2+]CC1 ZINC000086703144 388106446 /nfs/dbraw/zinc/10/64/46/388106446.db2.gz ZYDVRDRUTOMXHI-UHFFFAOYSA-N 2 1 230.352 0.317 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+](CCOC)C1 ZINC000423267082 388045817 /nfs/dbraw/zinc/04/58/17/388045817.db2.gz DUETVWZLYXVYGM-NWDGAFQWSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423267082 388045819 /nfs/dbraw/zinc/04/58/19/388045819.db2.gz DUETVWZLYXVYGM-NWDGAFQWSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423271183 388050016 /nfs/dbraw/zinc/05/00/16/388050016.db2.gz IRJGQDYYSFBWSX-GMXVVIOVSA-N 2 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423271183 388050017 /nfs/dbraw/zinc/05/00/17/388050017.db2.gz IRJGQDYYSFBWSX-GMXVVIOVSA-N 2 1 225.380 0.914 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271319 388050176 /nfs/dbraw/zinc/05/01/76/388050176.db2.gz IXZQUKPQMSZSPU-NEPJUHHUSA-N 2 1 229.368 0.280 20 0 BCADMP COCCN1CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000423271319 388050178 /nfs/dbraw/zinc/05/01/78/388050178.db2.gz IXZQUKPQMSZSPU-NEPJUHHUSA-N 2 1 229.368 0.280 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000646210406 388165543 /nfs/dbraw/zinc/16/55/43/388165543.db2.gz IVDITEBHJLRDHJ-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1cccc(NCCNC(=O)C2([NH3+])CCC2)[nH+]1 ZINC000449347344 388178084 /nfs/dbraw/zinc/17/80/84/388178084.db2.gz BVEMGODLAWEXME-UHFFFAOYSA-N 2 1 248.330 0.800 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000645906573 388123456 /nfs/dbraw/zinc/12/34/56/388123456.db2.gz SZUFQVJYMMEFJI-KOLCDFICSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000449098790 388141878 /nfs/dbraw/zinc/14/18/78/388141878.db2.gz KYELVDVFYVSVNJ-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CO[C@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105758 388143540 /nfs/dbraw/zinc/14/35/40/388143540.db2.gz GVQKDSWKCXWIIC-GFCCVEGCSA-N 2 1 242.363 0.818 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000449397501 388194226 /nfs/dbraw/zinc/19/42/26/388194226.db2.gz VJVRHOTYINZERA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449397634 388194405 /nfs/dbraw/zinc/19/44/05/388194405.db2.gz RARVFXVSJSTRGV-IUCAKERBSA-N 2 1 249.305 0.604 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000449571959 388236208 /nfs/dbraw/zinc/23/62/08/388236208.db2.gz LSDFPONHGGAEHM-GFCCVEGCSA-N 2 1 243.326 0.146 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000449578128 388236644 /nfs/dbraw/zinc/23/66/44/388236644.db2.gz ZKOGKFQQHMTWBQ-GFCCVEGCSA-N 2 1 245.342 0.488 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449578128 388236647 /nfs/dbraw/zinc/23/66/47/388236647.db2.gz ZKOGKFQQHMTWBQ-GFCCVEGCSA-N 2 1 245.342 0.488 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000449606303 388240826 /nfs/dbraw/zinc/24/08/26/388240826.db2.gz YHTIIGJIMANKBC-NEPJUHHUSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000449606303 388240828 /nfs/dbraw/zinc/24/08/28/388240828.db2.gz YHTIIGJIMANKBC-NEPJUHHUSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]([NH2+]CCSCCCO)[C@H]1CCC[NH2+]1 ZINC000400427598 256634014 /nfs/dbraw/zinc/63/40/14/256634014.db2.gz ZLVBYHPYPZQQQU-WDEREUQCSA-N 2 1 232.393 0.832 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1)C1CC1 ZINC000518759966 256596908 /nfs/dbraw/zinc/59/69/08/256596908.db2.gz GEDXINKVDYOEQV-CKYFFXLPSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1)C1CC1 ZINC000518759966 256596909 /nfs/dbraw/zinc/59/69/09/256596909.db2.gz GEDXINKVDYOEQV-CKYFFXLPSA-N 2 1 230.327 0.922 20 0 BCADMP CC[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491854571 388324917 /nfs/dbraw/zinc/32/49/17/388324917.db2.gz YHDLYSWZNXAJSL-AATRIKPKSA-N 2 1 239.363 0.705 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491869763 388325577 /nfs/dbraw/zinc/32/55/77/388325577.db2.gz NMXVTISRUGEUNA-ISALQUGTSA-N 2 1 225.336 0.267 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000491869756 388325626 /nfs/dbraw/zinc/32/56/26/388325626.db2.gz NLIDYCWPODPNJP-HOSRBBHYSA-N 2 1 239.363 0.562 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953451 388269155 /nfs/dbraw/zinc/26/91/55/388269155.db2.gz UPTXHVOSRLVBEX-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP [NH3+]CCCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953311 388269302 /nfs/dbraw/zinc/26/93/02/388269302.db2.gz OZUTXLCISRWAKB-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953450 388269614 /nfs/dbraw/zinc/26/96/14/388269614.db2.gz UPTXHVOSRLVBEX-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953259 388269696 /nfs/dbraw/zinc/26/96/96/388269696.db2.gz LTUOUDKUWWOSLC-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953300 388269742 /nfs/dbraw/zinc/26/97/42/388269742.db2.gz ONGZMFVVHITJGL-SNVBAGLBSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953358 388269760 /nfs/dbraw/zinc/26/97/60/388269760.db2.gz QRWNDGBHGDNRBI-LLVKDONJSA-N 2 1 225.336 0.326 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)COC ZINC000163552752 388364249 /nfs/dbraw/zinc/36/42/49/388364249.db2.gz YCMXTVZZSVNLKT-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)COC ZINC000163552752 388364250 /nfs/dbraw/zinc/36/42/50/388364250.db2.gz YCMXTVZZSVNLKT-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000086495477 388367646 /nfs/dbraw/zinc/36/76/46/388367646.db2.gz BFKPDMVPWZYUND-DCAQKATOSA-N 2 1 227.352 0.583 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646523231 388374985 /nfs/dbraw/zinc/37/49/85/388374985.db2.gz SLTRHMNBSIKPKE-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000236762471 388382769 /nfs/dbraw/zinc/38/27/69/388382769.db2.gz LXDIVPNLXRVOGA-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236862785 388384452 /nfs/dbraw/zinc/38/44/52/388384452.db2.gz JVQQDEMXTDNDGT-ZDUSSCGKSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000572894712 388385262 /nfs/dbraw/zinc/38/52/62/388385262.db2.gz CINQBPICSHITGV-VIFPVBQESA-N 2 1 249.305 0.523 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)CCn1ccnc1C ZINC000294299509 388397883 /nfs/dbraw/zinc/39/78/83/388397883.db2.gz ZROVZIRTPIHPFL-NSHDSACASA-N 2 1 211.309 0.894 20 0 BCADMP CC[C@@H](CO)[N@H+](C)CCn1cc[nH+]c1C ZINC000294299509 388397884 /nfs/dbraw/zinc/39/78/84/388397884.db2.gz ZROVZIRTPIHPFL-NSHDSACASA-N 2 1 211.309 0.894 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)CCn1cc[nH+]c1C ZINC000294299509 388397886 /nfs/dbraw/zinc/39/78/86/388397886.db2.gz ZROVZIRTPIHPFL-NSHDSACASA-N 2 1 211.309 0.894 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572975695 388399649 /nfs/dbraw/zinc/39/96/49/388399649.db2.gz YKYRZNGEARXPSW-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP CNC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308633342 388445917 /nfs/dbraw/zinc/44/59/17/388445917.db2.gz KAAAVGQUEFULHY-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH+](C)CC(C)(C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000308638678 388446161 /nfs/dbraw/zinc/44/61/61/388446161.db2.gz WSTPRHIBHHNVJM-LBPRGKRZSA-N 2 1 243.395 0.371 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000646737056 388447919 /nfs/dbraw/zinc/44/79/19/388447919.db2.gz QFAWNLRXBZOYSJ-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000394087006 388449713 /nfs/dbraw/zinc/44/97/13/388449713.db2.gz VRMGZFLUZMBYOG-NEPJUHHUSA-N 2 1 213.369 0.914 20 0 BCADMP CC(C)[NH+](CCO)CCC[N@H+](CCO)C(C)C ZINC000176364838 388452147 /nfs/dbraw/zinc/45/21/47/388452147.db2.gz MGXJRLXLKUFCOQ-UHFFFAOYSA-N 2 1 246.395 0.782 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000626978485 388457495 /nfs/dbraw/zinc/45/74/95/388457495.db2.gz FPMPLMXBRVOLFI-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000649223569 388461520 /nfs/dbraw/zinc/46/15/20/388461520.db2.gz JJGFUVBYAFWXDR-JTQLQIEISA-N 2 1 248.330 0.499 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000649223569 388461523 /nfs/dbraw/zinc/46/15/23/388461523.db2.gz JJGFUVBYAFWXDR-JTQLQIEISA-N 2 1 248.330 0.499 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)C[NH+](C)C ZINC000515500824 256749382 /nfs/dbraw/zinc/74/93/82/256749382.db2.gz VSWPIBZBJNCUCN-ZYHUDNBSSA-N 2 1 241.379 0.641 20 0 BCADMP C[N@H+](C[C@H](O)CN1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469241 /nfs/dbraw/zinc/46/92/41/388469241.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469243 /nfs/dbraw/zinc/46/92/43/388469243.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469246 /nfs/dbraw/zinc/46/92/46/388469246.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469249 /nfs/dbraw/zinc/46/92/49/388469249.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469251 /nfs/dbraw/zinc/46/92/51/388469251.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722004 388469253 /nfs/dbraw/zinc/46/92/53/388469253.db2.gz SQLZRINPPSRMLM-RYUDHWBXSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000397475945 388473039 /nfs/dbraw/zinc/47/30/39/388473039.db2.gz GTNLNXDPGPXDFD-MXWKQRLJSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000397475945 388473042 /nfs/dbraw/zinc/47/30/42/388473042.db2.gz GTNLNXDPGPXDFD-MXWKQRLJSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000397475946 388473138 /nfs/dbraw/zinc/47/31/38/388473138.db2.gz GTNLNXDPGPXDFD-OUAUKWLOSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000397475946 388473147 /nfs/dbraw/zinc/47/31/47/388473147.db2.gz GTNLNXDPGPXDFD-OUAUKWLOSA-N 2 1 237.351 0.620 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000134034838 388474297 /nfs/dbraw/zinc/47/42/97/388474297.db2.gz NMJFZOSZDHZISH-MWLCHTKSSA-N 2 1 209.293 0.959 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000573121498 388422025 /nfs/dbraw/zinc/42/20/25/388422025.db2.gz FYNXSOZNDSTJRC-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000525292738 388425133 /nfs/dbraw/zinc/42/51/33/388425133.db2.gz WORQFCDTKUICHA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525292738 388425135 /nfs/dbraw/zinc/42/51/35/388425135.db2.gz WORQFCDTKUICHA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525292738 388425136 /nfs/dbraw/zinc/42/51/36/388425136.db2.gz WORQFCDTKUICHA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000517210653 388541786 /nfs/dbraw/zinc/54/17/86/388541786.db2.gz PQYOSNYBBZTFQW-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000517210653 388541787 /nfs/dbraw/zinc/54/17/87/388541787.db2.gz PQYOSNYBBZTFQW-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784791 388486474 /nfs/dbraw/zinc/48/64/74/388486474.db2.gz WPBXJPZGCJOEBT-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784791 388486476 /nfs/dbraw/zinc/48/64/76/388486476.db2.gz WPBXJPZGCJOEBT-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784791 388486477 /nfs/dbraw/zinc/48/64/77/388486477.db2.gz WPBXJPZGCJOEBT-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784791 388486479 /nfs/dbraw/zinc/48/64/79/388486479.db2.gz WPBXJPZGCJOEBT-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@]1(O)CC[NH+](CCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000177967761 388493915 /nfs/dbraw/zinc/49/39/15/388493915.db2.gz XUFGBJVTAGCRJJ-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@]1(O)CC[NH+](CCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000177967761 388493919 /nfs/dbraw/zinc/49/39/19/388493919.db2.gz XUFGBJVTAGCRJJ-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868145 388520268 /nfs/dbraw/zinc/52/02/68/388520268.db2.gz UGPGFXZIKBXYCU-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868145 388520269 /nfs/dbraw/zinc/52/02/69/388520269.db2.gz UGPGFXZIKBXYCU-WOPDTQHZSA-N 2 1 211.353 0.655 20 0 BCADMP CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000516867503 388522013 /nfs/dbraw/zinc/52/20/13/388522013.db2.gz ZZDWMSVKYNLPGV-OLZOCXBDSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@H]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000516867503 388522016 /nfs/dbraw/zinc/52/20/16/388522016.db2.gz ZZDWMSVKYNLPGV-OLZOCXBDSA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@@H]1CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000517038587 388534373 /nfs/dbraw/zinc/53/43/73/388534373.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000517038587 388534375 /nfs/dbraw/zinc/53/43/75/388534375.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000517038587 388534377 /nfs/dbraw/zinc/53/43/77/388534377.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000517038587 388534380 /nfs/dbraw/zinc/53/43/80/388534380.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000517038587 388534383 /nfs/dbraw/zinc/53/43/83/388534383.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000517038587 388534385 /nfs/dbraw/zinc/53/43/85/388534385.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000517038587 388534389 /nfs/dbraw/zinc/53/43/89/388534389.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308228 388594954 /nfs/dbraw/zinc/59/49/54/388594954.db2.gz VNUAOXWSGRCXIB-DMWPJOQESA-N 2 1 235.331 0.090 20 0 BCADMP Cc1noc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000358021496 388553522 /nfs/dbraw/zinc/55/35/22/388553522.db2.gz HPKRINVWULLNNM-MWLCHTKSSA-N 2 1 238.335 0.850 20 0 BCADMP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358125727 388553755 /nfs/dbraw/zinc/55/37/55/388553755.db2.gz IOAAQHIFLBBEKF-VXGBXAGGSA-N 2 1 241.379 0.688 20 0 BCADMP c1ncn(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000362975708 388562844 /nfs/dbraw/zinc/56/28/44/388562844.db2.gz GPRLRUYZRWQDBN-UHFFFAOYSA-N 2 1 235.335 0.495 20 0 BCADMP COC(=O)[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368312484 388568281 /nfs/dbraw/zinc/56/82/81/388568281.db2.gz MXBJRGRSMFBBRP-DGCLKSJQSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368312484 388568284 /nfs/dbraw/zinc/56/82/84/388568284.db2.gz MXBJRGRSMFBBRP-DGCLKSJQSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368312484 388568288 /nfs/dbraw/zinc/56/82/88/388568288.db2.gz MXBJRGRSMFBBRP-DGCLKSJQSA-N 2 1 240.347 0.823 20 0 BCADMP NC(=O)c1coc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000522014703 388674979 /nfs/dbraw/zinc/67/49/79/388674979.db2.gz WUJVQMWJXMPMQD-VHSXEESVSA-N 2 1 237.303 0.738 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)CC[N@@H+]1C ZINC000248201746 388675210 /nfs/dbraw/zinc/67/52/10/388675210.db2.gz YXYPRBJFDSXKAH-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)CC[N@H+]1C ZINC000248201746 388675214 /nfs/dbraw/zinc/67/52/14/388675214.db2.gz YXYPRBJFDSXKAH-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(COC)C1 ZINC000521643404 388622065 /nfs/dbraw/zinc/62/20/65/388622065.db2.gz DWYBVSUBDFWAEH-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213547 388629109 /nfs/dbraw/zinc/62/91/09/388629109.db2.gz AEORXKDVHWZUEH-NEPJUHHUSA-N 2 1 249.362 0.931 20 0 BCADMP CC1([NH+]2CCOCC2)CCN(CCC[NH3+])CC1 ZINC000530231756 388636616 /nfs/dbraw/zinc/63/66/16/388636616.db2.gz LYEPHFLUBMRTMR-UHFFFAOYSA-N 2 1 241.379 0.522 20 0 BCADMP CCOC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232439 388636977 /nfs/dbraw/zinc/63/69/77/388636977.db2.gz PCVDVVYVKVFQKK-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222707490 388642733 /nfs/dbraw/zinc/64/27/33/388642733.db2.gz MEHACJLCGCGDMK-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904462 388649861 /nfs/dbraw/zinc/64/98/61/388649861.db2.gz QILUGIKPGFAOMH-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246840905 388654087 /nfs/dbraw/zinc/65/40/87/388654087.db2.gz CDZUWLFFGWQXFW-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223654082 388655828 /nfs/dbraw/zinc/65/58/28/388655828.db2.gz QCTKLCXRMOBWIJ-XQQFMLRXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CO)[C@@H](C)C1 ZINC000224299575 388662563 /nfs/dbraw/zinc/66/25/63/388662563.db2.gz BYPJZLPKGFKBCN-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883095 388739554 /nfs/dbraw/zinc/73/95/54/388739554.db2.gz OYPDKUIOTVLEJI-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251349631 388747022 /nfs/dbraw/zinc/74/70/22/388747022.db2.gz MIRHUBURNMQKPO-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH+](CC)CCNC(=O)NCC[N@H+](C)CC ZINC000066987919 388726524 /nfs/dbraw/zinc/72/65/24/388726524.db2.gz KKVANIMXZDDEBN-UHFFFAOYSA-N 2 1 244.383 0.579 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCO ZINC000229604704 388796958 /nfs/dbraw/zinc/79/69/58/388796958.db2.gz MCSXLZAGVWFVQI-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP COC[C@@H]1C[N@@H+](CCn2ccnc2)C[C@@H](C)O1 ZINC000252012479 388760775 /nfs/dbraw/zinc/76/07/75/388760775.db2.gz XUBLANXCDVFTIR-NEPJUHHUSA-N 2 1 239.319 0.619 20 0 BCADMP COC[C@@H]1CN(CCn2ccnc2)C[C@@H](C)O1 ZINC000252012479 388760777 /nfs/dbraw/zinc/76/07/77/388760777.db2.gz XUBLANXCDVFTIR-NEPJUHHUSA-N 2 1 239.319 0.619 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)C[C@H]1C ZINC000539719200 388771574 /nfs/dbraw/zinc/77/15/74/388771574.db2.gz PLPOUKIMAULKGI-UPJWGTAASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COC)C[C@H]1C ZINC000539719200 388771578 /nfs/dbraw/zinc/77/15/78/388771578.db2.gz PLPOUKIMAULKGI-UPJWGTAASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C[C@H]1C ZINC000539719200 388771582 /nfs/dbraw/zinc/77/15/82/388771582.db2.gz PLPOUKIMAULKGI-UPJWGTAASA-N 2 1 244.379 0.798 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000129373028 388834920 /nfs/dbraw/zinc/83/49/20/388834920.db2.gz OGAXMHBRBTWGMZ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129544455 388851943 /nfs/dbraw/zinc/85/19/43/388851943.db2.gz LKBZZMOWLUCHEL-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129544455 388851947 /nfs/dbraw/zinc/85/19/47/388851947.db2.gz LKBZZMOWLUCHEL-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000648771138 388859916 /nfs/dbraw/zinc/85/99/16/388859916.db2.gz FLYLPTJDHCHGSX-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000648771138 388859919 /nfs/dbraw/zinc/85/99/19/388859919.db2.gz FLYLPTJDHCHGSX-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCn2ccnc2)CC[N@H+]1C ZINC000129661676 388862898 /nfs/dbraw/zinc/86/28/98/388862898.db2.gz OYTGZFIXSMDBGO-VXGBXAGGSA-N 2 1 222.336 0.955 20 0 BCADMP Cn1nncc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000129756541 388869322 /nfs/dbraw/zinc/86/93/22/388869322.db2.gz UFLIBKGKPNQUHB-JTQLQIEISA-N 2 1 223.324 0.247 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523663170 388850212 /nfs/dbraw/zinc/85/02/12/388850212.db2.gz RDXVEEMSLZWVKH-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000564576459 388878877 /nfs/dbraw/zinc/87/88/77/388878877.db2.gz MNMRYNJOWRIWHC-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000564576459 388878880 /nfs/dbraw/zinc/87/88/80/388878880.db2.gz MNMRYNJOWRIWHC-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP COC(=O)CCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000564989886 388906145 /nfs/dbraw/zinc/90/61/45/388906145.db2.gz ZGRFUAIIHKNWRQ-LLVKDONJSA-N 2 1 214.309 0.657 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000565151345 388918222 /nfs/dbraw/zinc/91/82/22/388918222.db2.gz LNDXRBFMKNUWGL-UHFFFAOYSA-N 2 1 235.278 0.135 20 0 BCADMP C[N@@H+]1CCCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000565151345 388918219 /nfs/dbraw/zinc/91/82/19/388918219.db2.gz LNDXRBFMKNUWGL-UHFFFAOYSA-N 2 1 235.278 0.135 20 0 BCADMP CC[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000565308774 388936917 /nfs/dbraw/zinc/93/69/17/388936917.db2.gz DPHIMRIEVPMNTD-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP Cn1nccc1C[NH2+]CCC[NH+]1CCC1 ZINC000565667772 388961745 /nfs/dbraw/zinc/96/17/45/388961745.db2.gz WGALQIYBSSHHRT-UHFFFAOYSA-N 2 1 208.309 0.606 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000565421704 388943593 /nfs/dbraw/zinc/94/35/93/388943593.db2.gz ARTSYSFZRJCPMP-CHWSQXEVSA-N 2 1 242.363 0.853 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000565421707 388943607 /nfs/dbraw/zinc/94/36/07/388943607.db2.gz ARTSYSFZRJCPMP-STQMWFEESA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000565480200 388949114 /nfs/dbraw/zinc/94/91/14/388949114.db2.gz BGSDRZOCRNZMBA-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CCOCC1 ZINC000565897788 388977478 /nfs/dbraw/zinc/97/74/78/388977478.db2.gz KFKNLCQSZZGVBD-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000566017592 388983096 /nfs/dbraw/zinc/98/30/96/388983096.db2.gz DPQRCAQNPUMQMW-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000566017592 388983094 /nfs/dbraw/zinc/98/30/94/388983094.db2.gz DPQRCAQNPUMQMW-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000566017592 388983099 /nfs/dbraw/zinc/98/30/99/388983099.db2.gz DPQRCAQNPUMQMW-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000566017592 388983102 /nfs/dbraw/zinc/98/31/02/388983102.db2.gz DPQRCAQNPUMQMW-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](NCC1=CC[N@@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560766 533364886 /nfs/dbraw/zinc/36/48/86/533364886.db2.gz HUKSSWOPPBAOOB-DGCLKSJQSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560766 533364892 /nfs/dbraw/zinc/36/48/92/533364892.db2.gz HUKSSWOPPBAOOB-DGCLKSJQSA-N 3 1 223.364 0.978 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560766 533364897 /nfs/dbraw/zinc/36/48/97/533364897.db2.gz HUKSSWOPPBAOOB-DGCLKSJQSA-N 3 1 223.364 0.978 20 0 BCADMP C([NH2+][C@H]1CCSC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217751448 533372868 /nfs/dbraw/zinc/37/28/68/533372868.db2.gz GKVUKNWJOZFTFP-QJPTWQEYSA-N 2 1 242.388 0.945 20 0 BCADMP C([NH2+][C@H]1CCSC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000217751448 533372874 /nfs/dbraw/zinc/37/28/74/533372874.db2.gz GKVUKNWJOZFTFP-QJPTWQEYSA-N 2 1 242.388 0.945 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261532060 533377942 /nfs/dbraw/zinc/37/79/42/533377942.db2.gz IYRAEGPLEMPERM-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H](NCC[NH+]1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000400330765 533395409 /nfs/dbraw/zinc/39/54/09/533395409.db2.gz BTMWQBFWUIEUOK-VXGBXAGGSA-N 2 1 243.420 0.765 20 0 BCADMP C[C@H]1CN(C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336122280 134091733 /nfs/dbraw/zinc/09/17/33/134091733.db2.gz VLCGHHUCJAEKNF-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336122280 134091734 /nfs/dbraw/zinc/09/17/34/134091734.db2.gz VLCGHHUCJAEKNF-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336122280 134091735 /nfs/dbraw/zinc/09/17/35/134091735.db2.gz VLCGHHUCJAEKNF-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336122280 134091736 /nfs/dbraw/zinc/09/17/36/134091736.db2.gz VLCGHHUCJAEKNF-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336122280 134091737 /nfs/dbraw/zinc/09/17/37/134091737.db2.gz VLCGHHUCJAEKNF-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000336212123 134134955 /nfs/dbraw/zinc/13/49/55/134134955.db2.gz IEBXDEYZGTYLFW-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167604869 134152940 /nfs/dbraw/zinc/15/29/40/134152940.db2.gz SGHOMHGISUMJJO-VWYCJHECSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000167774347 134154235 /nfs/dbraw/zinc/15/42/35/134154235.db2.gz LFUUXVZTXTZPRF-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000167774347 134154236 /nfs/dbraw/zinc/15/42/36/134154236.db2.gz LFUUXVZTXTZPRF-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012745 134221575 /nfs/dbraw/zinc/22/15/75/134221575.db2.gz DMBJQQZIYCDRBZ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178669210 134312719 /nfs/dbraw/zinc/31/27/19/134312719.db2.gz PUZBWFRKMNYSJD-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000178966662 134313493 /nfs/dbraw/zinc/31/34/93/134313493.db2.gz ZWWFSXDKWTUSOU-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972239 134314074 /nfs/dbraw/zinc/31/40/74/134314074.db2.gz HAFWGRZPOVCBQR-LBPRGKRZSA-N 2 1 239.363 0.442 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972929 134314101 /nfs/dbraw/zinc/31/41/01/134314101.db2.gz ZVHBIKAAPOKPNQ-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000178818686 134315709 /nfs/dbraw/zinc/31/57/09/134315709.db2.gz DBCOKANGHBDHIJ-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221703761 134326377 /nfs/dbraw/zinc/32/63/77/134326377.db2.gz LKBZZMOWLUCHEL-HBNTYKKESA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221703761 134326378 /nfs/dbraw/zinc/32/63/78/134326378.db2.gz LKBZZMOWLUCHEL-HBNTYKKESA-N 2 1 200.326 0.830 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222702319 134334031 /nfs/dbraw/zinc/33/40/31/134334031.db2.gz ARVFXOWXPPKYIX-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226407734 134365741 /nfs/dbraw/zinc/36/57/41/134365741.db2.gz JFKNWVSGTYPDBD-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[N@H+]1C ZINC000408113375 134396577 /nfs/dbraw/zinc/39/65/77/134396577.db2.gz VNUGULVNPRNVQK-UWVGGRQHSA-N 2 1 236.319 0.756 20 0 BCADMP Cc1c[nH+]ccc1N1CC[NH+](CCO)CC1 ZINC000070047721 134908153 /nfs/dbraw/zinc/90/81/53/134908153.db2.gz KVZVNUDRYFGDNF-UHFFFAOYSA-N 2 1 221.304 0.504 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000163614166 135020376 /nfs/dbraw/zinc/02/03/76/135020376.db2.gz CDDXQXXSFLLQPL-SNVBAGLBSA-N 2 1 245.392 0.277 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000249614899 135041963 /nfs/dbraw/zinc/04/19/63/135041963.db2.gz SRCSQMGRXBSMRJ-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364605 135052780 /nfs/dbraw/zinc/05/27/80/135052780.db2.gz UNJCFRKZNNDVCV-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251088129 135064107 /nfs/dbraw/zinc/06/41/07/135064107.db2.gz NTRFOANFQOITMM-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251769598 135076164 /nfs/dbraw/zinc/07/61/64/135076164.db2.gz MHILTEGARHRASF-BBBLOLIVSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000251931289 135081061 /nfs/dbraw/zinc/08/10/61/135081061.db2.gz YSZPSDPUPQQCQH-ZWNOBZJWSA-N 2 1 247.342 0.955 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCOC1 ZINC000086435789 135084130 /nfs/dbraw/zinc/08/41/30/135084130.db2.gz UXUVXORXADUCKO-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252177695 135085710 /nfs/dbraw/zinc/08/57/10/135085710.db2.gz SIHOOBDCXLALAL-IVZWLZJFSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000252210420 135087009 /nfs/dbraw/zinc/08/70/09/135087009.db2.gz XZMRGPZWUMIJBC-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252198230 135087014 /nfs/dbraw/zinc/08/70/14/135087014.db2.gz VVILLYPXRWIEPG-AXFHLTTASA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCO1 ZINC000252450803 135089626 /nfs/dbraw/zinc/08/96/26/135089626.db2.gz VILXUIVPSSVUDU-HBNTYKKESA-N 2 1 216.325 0.066 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252660869 135093969 /nfs/dbraw/zinc/09/39/69/135093969.db2.gz BQUURSZIJJYVRS-WHOHXGKFSA-N 2 1 214.353 0.933 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252709799 135099374 /nfs/dbraw/zinc/09/93/74/135099374.db2.gz DWIFAELSDXRBIG-LOWDOPEQSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252709799 135099376 /nfs/dbraw/zinc/09/93/76/135099376.db2.gz DWIFAELSDXRBIG-LOWDOPEQSA-N 2 1 242.363 0.863 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712050 135100808 /nfs/dbraw/zinc/10/08/08/135100808.db2.gz LIKSHQMZLVBYJP-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000252716874 135102180 /nfs/dbraw/zinc/10/21/80/135102180.db2.gz ZKQYYUMJLGCYKI-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252727051 135102743 /nfs/dbraw/zinc/10/27/43/135102743.db2.gz OHAYBIBSMIOKSK-GWOFURMSSA-N 2 1 227.352 0.569 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252848065 135112595 /nfs/dbraw/zinc/11/25/95/135112595.db2.gz GKGTVZTYFKPGBH-SRVKXCTJSA-N 2 1 240.347 0.999 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH+](C3CCC3)CC2)CCC1 ZINC000262215078 135116986 /nfs/dbraw/zinc/11/69/86/135116986.db2.gz LYOPTCCTLOKUQV-UHFFFAOYSA-N 2 1 237.347 0.565 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000253184642 135123271 /nfs/dbraw/zinc/12/32/71/135123271.db2.gz JYEJKDLJDFXJEV-CMPLNLGQSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H]1C(=O)N(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257768613 135141419 /nfs/dbraw/zinc/14/14/19/135141419.db2.gz BDGJVWFUEDZYHS-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(=O)N1C ZINC000257792576 135141865 /nfs/dbraw/zinc/14/18/65/135141865.db2.gz QJACVMIUDRGIID-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP c1cncc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000078777437 135151140 /nfs/dbraw/zinc/15/11/40/135151140.db2.gz OBISGFVIYDEALW-BETUJISGSA-N 2 1 217.316 0.775 20 0 BCADMP CCC[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261528988 135155359 /nfs/dbraw/zinc/15/53/59/135155359.db2.gz YWMQCGATGJQOSN-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000261530957 135158968 /nfs/dbraw/zinc/15/89/68/135158968.db2.gz DQVCAQJQDKLCRB-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000261530957 135158970 /nfs/dbraw/zinc/15/89/70/135158970.db2.gz DQVCAQJQDKLCRB-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353391859 135166536 /nfs/dbraw/zinc/16/65/36/135166536.db2.gz DXKOAFQLPHJZEO-KKOKHZNYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539523 135177984 /nfs/dbraw/zinc/17/79/84/135177984.db2.gz CRGKPRFYMROVID-JQWIXIFHSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261539523 135177985 /nfs/dbraw/zinc/17/79/85/135177985.db2.gz CRGKPRFYMROVID-JQWIXIFHSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539523 135177986 /nfs/dbraw/zinc/17/79/86/135177986.db2.gz CRGKPRFYMROVID-JQWIXIFHSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000261539523 135177988 /nfs/dbraw/zinc/17/79/88/135177988.db2.gz CRGKPRFYMROVID-JQWIXIFHSA-N 2 1 211.353 0.798 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000261539946 135178882 /nfs/dbraw/zinc/17/88/82/135178882.db2.gz CQXZNPXFPSSVGA-GHMZBOCLSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261543525 135184403 /nfs/dbraw/zinc/18/44/03/135184403.db2.gz UBAFHKCJHYXIAS-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261543525 135184405 /nfs/dbraw/zinc/18/44/05/135184405.db2.gz UBAFHKCJHYXIAS-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP COCC(C)(C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261543984 135184570 /nfs/dbraw/zinc/18/45/70/135184570.db2.gz IKEBTPXFPMIZBI-PHIMTYICSA-N 2 1 212.337 0.810 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261544060 135185217 /nfs/dbraw/zinc/18/52/17/135185217.db2.gz DNYXMTAJWHBGDA-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261545080 135186473 /nfs/dbraw/zinc/18/64/73/135186473.db2.gz JOKKITZUDDUNRA-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000261553444 135193182 /nfs/dbraw/zinc/19/31/82/135193182.db2.gz SMCJCHAUACDHFA-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[C@H]1COCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261554434 135194437 /nfs/dbraw/zinc/19/44/37/135194437.db2.gz UDTSYQFRZTYYOI-LLVKDONJSA-N 2 1 212.337 0.954 20 0 BCADMP CN(C)c1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261555601 135195011 /nfs/dbraw/zinc/19/50/11/135195011.db2.gz BMLBWDUHISXWKJ-GHMZBOCLSA-N 2 1 247.346 0.588 20 0 BCADMP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CN ZINC000261555500 135195046 /nfs/dbraw/zinc/19/50/46/135195046.db2.gz VBYBWGADLDPPID-WDEREUQCSA-N 2 1 215.341 0.021 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CN ZINC000261555500 135195047 /nfs/dbraw/zinc/19/50/47/135195047.db2.gz VBYBWGADLDPPID-WDEREUQCSA-N 3 1 215.341 0.021 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000261556705 135196789 /nfs/dbraw/zinc/19/67/89/135196789.db2.gz QVWVGPWBARJMAJ-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP CCC[N@@H+](CCn1cncn1)C1CC[NH2+]CC1 ZINC000261560185 135201559 /nfs/dbraw/zinc/20/15/59/135201559.db2.gz UJBMLWSCOLBVIS-UHFFFAOYSA-N 2 1 237.351 0.742 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000261562885 135204380 /nfs/dbraw/zinc/20/43/80/135204380.db2.gz WQPNTQAQJBQSGB-IJLUTSLNSA-N 2 1 235.335 0.337 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564472 135205858 /nfs/dbraw/zinc/20/58/58/135205858.db2.gz CPMCWOGMLSLTQZ-RYUDHWBXSA-N 2 1 220.320 0.567 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564472 135205859 /nfs/dbraw/zinc/20/58/59/135205859.db2.gz CPMCWOGMLSLTQZ-RYUDHWBXSA-N 2 1 220.320 0.567 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC(F)F ZINC000261583273 135224089 /nfs/dbraw/zinc/22/40/89/135224089.db2.gz OWYYJVTVRPYXHO-IUCAKERBSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000261585202 135226047 /nfs/dbraw/zinc/22/60/47/135226047.db2.gz SUSLLKCFJBQPPW-AWEZNQCLSA-N 2 1 247.342 0.956 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC2(C1)CCOCC2 ZINC000261585487 135226734 /nfs/dbraw/zinc/22/67/34/135226734.db2.gz QLBFJZGDQNNKJB-UHFFFAOYSA-N 2 1 228.336 0.464 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261586279 135227610 /nfs/dbraw/zinc/22/76/10/135227610.db2.gz QYRLABRQKGORSR-RQJHMYQMSA-N 2 1 223.267 0.070 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261546670 135239394 /nfs/dbraw/zinc/23/93/94/135239394.db2.gz LERBBMQUTKPJJL-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261680115 135244843 /nfs/dbraw/zinc/24/48/43/135244843.db2.gz DFGHPRRWBLSTNB-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261677604 135245091 /nfs/dbraw/zinc/24/50/91/135245091.db2.gz GQBDEYSWKKLFNO-CMPLNLGQSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687608 135245755 /nfs/dbraw/zinc/24/57/55/135245755.db2.gz AQLOHXXXPTZXNY-ZYHUDNBSSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000261707928 135246579 /nfs/dbraw/zinc/24/65/79/135246579.db2.gz DFEVBKWXABMSIF-OUAUKWLOSA-N 2 1 227.352 0.713 20 0 BCADMP COC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261769162 135251753 /nfs/dbraw/zinc/25/17/53/135251753.db2.gz MLLYXGZMHGKIRB-CYBMUJFWSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261811338 135254556 /nfs/dbraw/zinc/25/45/56/135254556.db2.gz HREOSDDXRROIIQ-GRYCIOLGSA-N 2 1 239.363 0.429 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000261822445 135255451 /nfs/dbraw/zinc/25/54/51/135255451.db2.gz MPHLRUYFWIARJI-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261844334 135256798 /nfs/dbraw/zinc/25/67/98/135256798.db2.gz OFAYVVKKPLQECM-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261844328 135257362 /nfs/dbraw/zinc/25/73/62/135257362.db2.gz OFAYVVKKPLQECM-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261857074 135257979 /nfs/dbraw/zinc/25/79/79/135257979.db2.gz WNDGJAKCRJFLEM-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000261871366 135258861 /nfs/dbraw/zinc/25/88/61/135258861.db2.gz QRUQHTRXGNOSKN-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880738 135259859 /nfs/dbraw/zinc/25/98/59/135259859.db2.gz QVNVSAPOYJOOKP-QWHCGFSZSA-N 2 1 237.347 0.198 20 0 BCADMP OCCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261922937 135263785 /nfs/dbraw/zinc/26/37/85/135263785.db2.gz KRTKKEMFYUMHQX-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261959314 135266091 /nfs/dbraw/zinc/26/60/91/135266091.db2.gz HAWNICOTIWSYSY-ZDUSSCGKSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261959314 135266092 /nfs/dbraw/zinc/26/60/92/135266092.db2.gz HAWNICOTIWSYSY-ZDUSSCGKSA-N 2 1 241.379 0.690 20 0 BCADMP C[N@@H+](CCc1cnccn1)CC1CC[NH2+]CC1 ZINC000261977981 135268989 /nfs/dbraw/zinc/26/89/89/135268989.db2.gz QYMFSSGDXBKIMA-UHFFFAOYSA-N 2 1 234.347 0.951 20 0 BCADMP Cn1nncc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994268 135270905 /nfs/dbraw/zinc/27/09/05/135270905.db2.gz KOBYLUWBRJATTM-UHFFFAOYSA-N 2 1 235.335 0.391 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262018224 135273275 /nfs/dbraw/zinc/27/32/75/135273275.db2.gz ACKNLJNAKHNLHF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000262023493 135274026 /nfs/dbraw/zinc/27/40/26/135274026.db2.gz WLDINCRQABYLJK-LBPRGKRZSA-N 2 1 234.347 0.951 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000262023493 135274027 /nfs/dbraw/zinc/27/40/27/135274027.db2.gz WLDINCRQABYLJK-LBPRGKRZSA-N 2 1 234.347 0.951 20 0 BCADMP C[NH+](C)[C@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000262029091 135274177 /nfs/dbraw/zinc/27/41/77/135274177.db2.gz NWPRNFGWMMTUNX-ZDUSSCGKSA-N 2 1 247.342 0.625 20 0 BCADMP CS(=O)(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262048634 135276048 /nfs/dbraw/zinc/27/60/48/135276048.db2.gz ZHSSZZGPJFCJJG-NSHDSACASA-N 2 1 246.376 0.105 20 0 BCADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262178068 135283739 /nfs/dbraw/zinc/28/37/39/135283739.db2.gz WFMOUWWEYKYKMI-AGIUHOORSA-N 2 1 223.364 0.622 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262240977 135287538 /nfs/dbraw/zinc/28/75/38/135287538.db2.gz NXYCPEIDUXFGQI-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000262272617 135289229 /nfs/dbraw/zinc/28/92/29/135289229.db2.gz UEQZXLIQZYBLAE-LBPRGKRZSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000262280644 135289912 /nfs/dbraw/zinc/28/99/12/135289912.db2.gz ZGGZRZRPJXAACS-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262329370 135293261 /nfs/dbraw/zinc/29/32/61/135293261.db2.gz UVZPTKQODSXFDS-NSHDSACASA-N 2 1 224.352 0.800 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000262349089 135294309 /nfs/dbraw/zinc/29/43/09/135294309.db2.gz ITTVZBIRZWLGKM-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)C1C[NH2+]C1 ZINC000262402432 135295532 /nfs/dbraw/zinc/29/55/32/135295532.db2.gz PPSVWQBAMHXXON-SECBINFHSA-N 2 1 248.330 0.942 20 0 BCADMP C[NH2+]CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000262392093 135298491 /nfs/dbraw/zinc/29/84/91/135298491.db2.gz OHTHXYKEMAWVKR-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000262394731 135298495 /nfs/dbraw/zinc/29/84/95/135298495.db2.gz OSIOCCSSRVXYOR-IJLUTSLNSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342721113 135314306 /nfs/dbraw/zinc/31/43/06/135314306.db2.gz SPPSKXSWYLMGPP-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263106948 135333526 /nfs/dbraw/zinc/33/35/26/135333526.db2.gz ZZAMWZZKGISPET-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474341 135345299 /nfs/dbraw/zinc/34/52/99/135345299.db2.gz PQBYOKNTKILGRZ-KOLCDFICSA-N 2 1 237.347 0.195 20 0 BCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000334340481 135363917 /nfs/dbraw/zinc/36/39/17/135363917.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000334340481 135363919 /nfs/dbraw/zinc/36/39/19/135363919.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000334340481 135363920 /nfs/dbraw/zinc/36/39/20/135363920.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000334340486 135363975 /nfs/dbraw/zinc/36/39/75/135363975.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000334340486 135363976 /nfs/dbraw/zinc/36/39/76/135363976.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000334340486 135363977 /nfs/dbraw/zinc/36/39/77/135363977.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C ZINC000334358944 135371096 /nfs/dbraw/zinc/37/10/96/135371096.db2.gz UTWIXYQEBOADHH-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C ZINC000334358944 135371098 /nfs/dbraw/zinc/37/10/98/135371098.db2.gz UTWIXYQEBOADHH-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000334381978 135381418 /nfs/dbraw/zinc/38/14/18/135381418.db2.gz KBAGYQMDCUQXAE-LBPRGKRZSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081000480 135385315 /nfs/dbraw/zinc/38/53/15/135385315.db2.gz MULXAGHXFGVOBY-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CCN(C)C[C@@H]1CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010640 /nfs/dbraw/zinc/01/06/40/136010640.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CCN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010641 /nfs/dbraw/zinc/01/06/41/136010641.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010642 /nfs/dbraw/zinc/01/06/42/136010642.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010643 /nfs/dbraw/zinc/01/06/43/136010643.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010644 /nfs/dbraw/zinc/01/06/44/136010644.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743374 136010645 /nfs/dbraw/zinc/01/06/45/136010645.db2.gz FVCBNIJEMPTNBY-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(N)=O ZINC000348054988 136031819 /nfs/dbraw/zinc/03/18/19/136031819.db2.gz XSAPSXKBMKCWGI-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(N)=O ZINC000348054988 136031820 /nfs/dbraw/zinc/03/18/20/136031820.db2.gz XSAPSXKBMKCWGI-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000335340445 136063812 /nfs/dbraw/zinc/06/38/12/136063812.db2.gz BZDCNYSHMBVXFT-LLVKDONJSA-N 2 1 243.326 0.275 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335354702 136070482 /nfs/dbraw/zinc/07/04/82/136070482.db2.gz BFTTYJUGXWUAHI-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335393333 136091687 /nfs/dbraw/zinc/09/16/87/136091687.db2.gz AGMQLXCHAQDDCN-ONGXEEELSA-N 2 1 241.360 0.003 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570980 136109054 /nfs/dbraw/zinc/10/90/54/136109054.db2.gz WURPFRCLPMHICP-NWDGAFQWSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[NH+]1CCOCC1 ZINC000068914192 322860092 /nfs/dbraw/zinc/86/00/92/322860092.db2.gz VJPAIPAAWSPAHN-TXEJJXNPSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1C ZINC000336653092 397832324 /nfs/dbraw/zinc/83/23/24/397832324.db2.gz LDCIGUFGRNGQDS-DBIOUOCHSA-N 2 1 200.326 0.543 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308952321 397843465 /nfs/dbraw/zinc/84/34/65/397843465.db2.gz PLMXBXGIKBFITA-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308952321 397843466 /nfs/dbraw/zinc/84/34/66/397843466.db2.gz PLMXBXGIKBFITA-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP COCC[N@@H+]1CCC[C@H]1CNCc1cn[nH]c1 ZINC000590073768 397816006 /nfs/dbraw/zinc/81/60/06/397816006.db2.gz MNSSXKUJVDQAMM-LBPRGKRZSA-N 2 1 238.335 0.610 20 0 BCADMP COCC[N@H+]1CCC[C@H]1CNCc1cn[nH]c1 ZINC000590073768 397816014 /nfs/dbraw/zinc/81/60/14/397816014.db2.gz MNSSXKUJVDQAMM-LBPRGKRZSA-N 2 1 238.335 0.610 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000647697711 397930207 /nfs/dbraw/zinc/93/02/07/397930207.db2.gz CYEOWWYEXDTNQM-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000649547238 397939238 /nfs/dbraw/zinc/93/92/38/397939238.db2.gz OSUMAJUVCBMLAK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000649547238 397939241 /nfs/dbraw/zinc/93/92/41/397939241.db2.gz OSUMAJUVCBMLAK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547238 397939243 /nfs/dbraw/zinc/93/92/43/397939243.db2.gz OSUMAJUVCBMLAK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547238 397939244 /nfs/dbraw/zinc/93/92/44/397939244.db2.gz OSUMAJUVCBMLAK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000370768136 397941937 /nfs/dbraw/zinc/94/19/37/397941937.db2.gz YMPWUUVPALFSLM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000571642561 397943775 /nfs/dbraw/zinc/94/37/75/397943775.db2.gz YOVJNYUQRRIBFF-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000054133123 397903493 /nfs/dbraw/zinc/90/34/93/397903493.db2.gz PNRDMHARSQSOFM-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000054133493 397904063 /nfs/dbraw/zinc/90/40/63/397904063.db2.gz SKLMXTRKCWGMFF-SECBINFHSA-N 2 1 231.365 0.105 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000054133493 397904066 /nfs/dbraw/zinc/90/40/66/397904066.db2.gz SKLMXTRKCWGMFF-SECBINFHSA-N 2 1 231.365 0.105 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[N@H+]1C ZINC000648128184 397924728 /nfs/dbraw/zinc/92/47/28/397924728.db2.gz HSKQFMDVQHOTQV-DDHJBXDOSA-N 2 1 239.363 0.583 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000037643469 398023728 /nfs/dbraw/zinc/02/37/28/398023728.db2.gz GMMJRYOEPXPMCZ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000383687779 398034487 /nfs/dbraw/zinc/03/44/87/398034487.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000383687779 398034490 /nfs/dbraw/zinc/03/44/90/398034490.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000383687779 398034495 /nfs/dbraw/zinc/03/44/95/398034495.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687977 398036247 /nfs/dbraw/zinc/03/62/47/398036247.db2.gz MWSXVJQVCRNZSA-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687977 398036250 /nfs/dbraw/zinc/03/62/50/398036250.db2.gz MWSXVJQVCRNZSA-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000638096252 398075678 /nfs/dbraw/zinc/07/56/78/398075678.db2.gz GOBUTZXOXVNUHO-JTQLQIEISA-N 2 1 215.341 0.441 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000389711677 398127308 /nfs/dbraw/zinc/12/73/08/398127308.db2.gz WCHVBFPSEHPKJM-UWVGGRQHSA-N 2 1 235.335 0.374 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000389711676 398127448 /nfs/dbraw/zinc/12/74/48/398127448.db2.gz WCHVBFPSEHPKJM-NXEZZACHSA-N 2 1 235.335 0.374 20 0 BCADMP C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC000120981003 173347802 /nfs/dbraw/zinc/34/78/02/173347802.db2.gz JHLIPQGDLFXWDX-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000227833458 487560163 /nfs/dbraw/zinc/56/01/63/487560163.db2.gz WQMFIXHILASDML-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082241603 487580367 /nfs/dbraw/zinc/58/03/67/487580367.db2.gz MHOIBQXMLYTPRU-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000228271795 487603534 /nfs/dbraw/zinc/60/35/34/487603534.db2.gz HREWKGKPORBDKE-ZDUSSCGKSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000674690142 487606576 /nfs/dbraw/zinc/60/65/76/487606576.db2.gz UZLRFSMLJGRFLJ-GARJFASQSA-N 2 1 239.363 0.678 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)C1 ZINC000309762543 487609224 /nfs/dbraw/zinc/60/92/24/487609224.db2.gz FBYXKDJYBFEVGC-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662266889 409568200 /nfs/dbraw/zinc/56/82/00/409568200.db2.gz QBOMEPHDPYRKOA-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662244610 409534701 /nfs/dbraw/zinc/53/47/01/409534701.db2.gz DVXCLIRUSCCRST-UWVGGRQHSA-N 2 1 234.290 0.952 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662244610 409534711 /nfs/dbraw/zinc/53/47/11/409534711.db2.gz DVXCLIRUSCCRST-UWVGGRQHSA-N 2 1 234.290 0.952 20 0 BCADMP C[C@H]1CSCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254125 409553052 /nfs/dbraw/zinc/55/30/52/409553052.db2.gz FZUYUTFCOWSUFW-QWRGUYRKSA-N 2 1 242.388 0.945 20 0 BCADMP C[C@@H]1CCCC[C@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285924 409618878 /nfs/dbraw/zinc/61/88/78/409618878.db2.gz MOZZHBDHHHXSOT-FRRDWIJNSA-N 2 1 244.379 0.427 20 0 BCADMP C[C@@H]1CCCC[C@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285924 409618880 /nfs/dbraw/zinc/61/88/80/409618880.db2.gz MOZZHBDHHHXSOT-FRRDWIJNSA-N 2 1 244.379 0.427 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662515532 409742719 /nfs/dbraw/zinc/74/27/19/409742719.db2.gz VUFJITSQAUBIQQ-DCAQKATOSA-N 2 1 225.336 0.147 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112893 409822204 /nfs/dbraw/zinc/82/22/04/409822204.db2.gz MFJVKUYQFMPUKA-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130898 409847657 /nfs/dbraw/zinc/84/76/57/409847657.db2.gz JNESQOKURBMVJQ-RKDXNWHRSA-N 2 1 247.289 0.227 20 0 BCADMP CC[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@@H]1[NH3+] ZINC000653134682 409853026 /nfs/dbraw/zinc/85/30/26/409853026.db2.gz HJKCQBVSEBGVCB-BDAKNGLRSA-N 2 1 249.305 0.556 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703907 409854706 /nfs/dbraw/zinc/85/47/06/409854706.db2.gz QBWIZFGYHUQASL-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215297827 409907643 /nfs/dbraw/zinc/90/76/43/409907643.db2.gz UDJJRWIBLOXJGR-DGCLKSJQSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000653142854 409867749 /nfs/dbraw/zinc/86/77/49/409867749.db2.gz ZDVSOMMQSAKREJ-QMMMGPOBSA-N 2 1 247.289 0.229 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000087128329 487611698 /nfs/dbraw/zinc/61/16/98/487611698.db2.gz GWPAPZQOZQQWGC-DCAQKATOSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839454 409949256 /nfs/dbraw/zinc/94/92/56/409949256.db2.gz QPRWLDURWSQYMO-WOPDTQHZSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839426 409949610 /nfs/dbraw/zinc/94/96/10/409949610.db2.gz QPRWLDURWSQYMO-GRYCIOLGSA-N 2 1 239.363 0.857 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251597064 487613283 /nfs/dbraw/zinc/61/32/83/487613283.db2.gz CZCLMYYWEKXIQA-GMTAPVOTSA-N 2 1 200.326 0.938 20 0 BCADMP COC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523958 410175292 /nfs/dbraw/zinc/17/52/92/410175292.db2.gz AXDUCXXMNGHAQY-UHFFFAOYSA-N 2 1 228.336 0.823 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726818 410202455 /nfs/dbraw/zinc/20/24/55/410202455.db2.gz BHRGUWZZGCNCMC-PSASIEDQSA-N 2 1 211.309 0.077 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c(F)c1 ZINC000663496198 410274795 /nfs/dbraw/zinc/27/47/95/410274795.db2.gz DAEKMTKEAJNTMT-TZMCWYRMSA-N 3 1 249.333 0.984 20 0 BCADMP CNC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663512630 410282528 /nfs/dbraw/zinc/28/25/28/410282528.db2.gz GVQQRLYRZZIEJZ-WHOHXGKFSA-N 2 1 211.353 0.572 20 0 BCADMP CCO[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714459 410347955 /nfs/dbraw/zinc/34/79/55/410347955.db2.gz GJFMSKPNSDXSMO-YNEHKIRRSA-N 3 1 241.379 0.282 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714459 410347960 /nfs/dbraw/zinc/34/79/60/410347960.db2.gz GJFMSKPNSDXSMO-YNEHKIRRSA-N 3 1 241.379 0.282 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)C1CCC1 ZINC000661154906 410306834 /nfs/dbraw/zinc/30/68/34/410306834.db2.gz SASCBGGMSMVWDK-GFCCVEGCSA-N 2 1 223.320 0.942 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655453876 410315958 /nfs/dbraw/zinc/31/59/58/410315958.db2.gz RNXCDNARHDKXHB-SCZZXKLOSA-N 2 1 247.289 0.086 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453874 410316487 /nfs/dbraw/zinc/31/64/87/410316487.db2.gz RNXCDNARHDKXHB-PSASIEDQSA-N 2 1 247.289 0.086 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1c[nH+]ccc1N ZINC000650743292 410380557 /nfs/dbraw/zinc/38/05/57/410380557.db2.gz PYCQXDLSDZWJHH-HLTSFMKQSA-N 2 1 234.303 0.409 20 0 BCADMP Cn1cncc1CCC[N@H+]1CC[C@H](CO)C1 ZINC000314562887 410387243 /nfs/dbraw/zinc/38/72/43/410387243.db2.gz MAUZPUSCCOAJDK-NSHDSACASA-N 2 1 223.320 0.667 20 0 BCADMP CCCC[N@@H+](CC(N)=O)C[C@H]1CC[NH2+]C1 ZINC000051889846 410571627 /nfs/dbraw/zinc/57/16/27/410571627.db2.gz CXOHRJCAVLQFJV-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@H]1CC[NH2+]C1 ZINC000051889846 410571632 /nfs/dbraw/zinc/57/16/32/410571632.db2.gz CXOHRJCAVLQFJV-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000393838649 410760457 /nfs/dbraw/zinc/76/04/57/410760457.db2.gz SKXRHYARPRKRQF-MNOVXSKESA-N 2 1 244.404 0.925 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000393838649 410760463 /nfs/dbraw/zinc/76/04/63/410760463.db2.gz SKXRHYARPRKRQF-MNOVXSKESA-N 2 1 244.404 0.925 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000393838651 410761176 /nfs/dbraw/zinc/76/11/76/410761176.db2.gz SKXRHYARPRKRQF-QWRGUYRKSA-N 2 1 244.404 0.925 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000393838651 410761183 /nfs/dbraw/zinc/76/11/83/410761183.db2.gz SKXRHYARPRKRQF-QWRGUYRKSA-N 2 1 244.404 0.925 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298692 410797365 /nfs/dbraw/zinc/79/73/65/410797365.db2.gz BRUYAPLSEDMORG-PWSUYJOCSA-N 2 1 235.331 0.697 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673755 410885368 /nfs/dbraw/zinc/88/53/68/410885368.db2.gz SGDKZMXRRMPGRH-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000040624517 410883731 /nfs/dbraw/zinc/88/37/31/410883731.db2.gz NHLOCQSWZPDVNU-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000665297556 410819619 /nfs/dbraw/zinc/81/96/19/410819619.db2.gz IEFYUFQXGCBUJY-BDAKNGLRSA-N 2 1 213.325 0.241 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652015950 410972896 /nfs/dbraw/zinc/97/28/96/410972896.db2.gz PHOXWDKHERGMKC-SNVBAGLBSA-N 2 1 204.289 0.391 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000044538842 411137122 /nfs/dbraw/zinc/13/71/22/411137122.db2.gz SOMOVYFBDOJDTF-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763173 411139752 /nfs/dbraw/zinc/13/97/52/411139752.db2.gz VHAOQSDLHQFTEW-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726827 411139977 /nfs/dbraw/zinc/13/99/77/411139977.db2.gz IEFITJFYOJKWMI-IUCAKERBSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H]1C[C@@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891116 411149123 /nfs/dbraw/zinc/14/91/23/411149123.db2.gz IDBISTPIVBFLIZ-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[C@@H]1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891116 411149124 /nfs/dbraw/zinc/14/91/24/411149124.db2.gz IDBISTPIVBFLIZ-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000119041305 411150047 /nfs/dbraw/zinc/15/00/47/411150047.db2.gz PAECJEZYQYALJT-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400656617 411159345 /nfs/dbraw/zinc/15/93/45/411159345.db2.gz XLRIXNBSNOGQIY-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400656617 411159347 /nfs/dbraw/zinc/15/93/47/411159347.db2.gz XLRIXNBSNOGQIY-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP NC(=O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000043493627 411117907 /nfs/dbraw/zinc/11/79/07/411117907.db2.gz IBECTTJGJWCPRH-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP NC(=O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000043493627 411117910 /nfs/dbraw/zinc/11/79/10/411117910.db2.gz IBECTTJGJWCPRH-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405464380 411172975 /nfs/dbraw/zinc/17/29/75/411172975.db2.gz ZKMNGVSEAASAEN-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000401085012 411176129 /nfs/dbraw/zinc/17/61/29/411176129.db2.gz YISPFQGYNQXKBE-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515379 411182733 /nfs/dbraw/zinc/18/27/33/411182733.db2.gz ZIDVZSMHXLZVJE-SSDOTTSWSA-N 2 1 241.257 0.332 20 0 BCADMP CC(C)OCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800610 411183636 /nfs/dbraw/zinc/18/36/36/411183636.db2.gz NTJPQUMPIBJMSP-UHFFFAOYSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215603440 411189836 /nfs/dbraw/zinc/18/98/36/411189836.db2.gz GCNZZRDMHXBIRS-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)CC[N@@H+]1C ZINC000652304332 411195242 /nfs/dbraw/zinc/19/52/42/411195242.db2.gz KDTDZBHGVIFDJI-GMTAPVOTSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)CC[N@H+]1C ZINC000652304332 411195243 /nfs/dbraw/zinc/19/52/43/411195243.db2.gz KDTDZBHGVIFDJI-GMTAPVOTSA-N 2 1 218.316 0.779 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000652338478 411203822 /nfs/dbraw/zinc/20/38/22/411203822.db2.gz ICPMTHOPRFDOEU-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200266 411204074 /nfs/dbraw/zinc/20/40/74/411204074.db2.gz KPDREHRSEJMFBA-WUHRBBMRSA-N 3 1 225.380 0.914 20 0 BCADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@](C)(O)C[NH2+]C ZINC000652337106 411205016 /nfs/dbraw/zinc/20/50/16/411205016.db2.gz KAPQFBITQONNRJ-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)[C@@H]1CCC[NH2+]1 ZINC000656201158 411206622 /nfs/dbraw/zinc/20/66/22/411206622.db2.gz UBMDHEMSOPQDFW-AXFHLTTASA-N 2 1 249.362 0.403 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)[C@@H]1CCC[NH2+]1 ZINC000656201160 411206650 /nfs/dbraw/zinc/20/66/50/411206650.db2.gz UBMDHEMSOPQDFW-MXWKQRLJSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)[C@H]1CCC[NH2+]1 ZINC000656201875 411207797 /nfs/dbraw/zinc/20/77/97/411207797.db2.gz UBMDHEMSOPQDFW-GARJFASQSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)[C@H]1CCC[NH2+]1 ZINC000656201880 411207845 /nfs/dbraw/zinc/20/78/45/411207845.db2.gz UBMDHEMSOPQDFW-OUAUKWLOSA-N 2 1 249.362 0.403 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247489885 411210411 /nfs/dbraw/zinc/21/04/11/411210411.db2.gz UDNHERKTVFTECZ-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000652353137 411212249 /nfs/dbraw/zinc/21/22/49/411212249.db2.gz GCSJPDVAVGQHGF-OLZOCXBDSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO)C1CC1 ZINC000310174593 411218672 /nfs/dbraw/zinc/21/86/72/411218672.db2.gz VAMBIPPFMYASJR-RAIGVLPGSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO)C1CC1 ZINC000310174593 411218674 /nfs/dbraw/zinc/21/86/74/411218674.db2.gz VAMBIPPFMYASJR-RAIGVLPGSA-N 2 1 242.363 0.192 20 0 BCADMP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658052741 411219896 /nfs/dbraw/zinc/21/98/96/411219896.db2.gz GMVVHJUOAUUCHB-LBPRGKRZSA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000130368501 411221689 /nfs/dbraw/zinc/22/16/89/411221689.db2.gz HOGDPGBWRQLNOK-GXSJLCMTSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@@H](CO)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310219042 411224693 /nfs/dbraw/zinc/22/46/93/411224693.db2.gz FRHACTDBEXXNMT-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CO)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310219042 411224696 /nfs/dbraw/zinc/22/46/96/411224696.db2.gz FRHACTDBEXXNMT-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CO)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310219039 411225327 /nfs/dbraw/zinc/22/53/27/411225327.db2.gz FRHACTDBEXXNMT-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CO)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310219039 411225331 /nfs/dbraw/zinc/22/53/31/411225331.db2.gz FRHACTDBEXXNMT-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612357 411236036 /nfs/dbraw/zinc/23/60/36/411236036.db2.gz WDLJTHMKBDDHCT-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000652418158 411237102 /nfs/dbraw/zinc/23/71/02/411237102.db2.gz UUVXFTNUNBCZME-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](CCOC)C1 ZINC000423306958 411237751 /nfs/dbraw/zinc/23/77/51/411237751.db2.gz FWEFNTFYWBFRRN-LBPRGKRZSA-N 2 1 229.368 0.296 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000310528002 411239385 /nfs/dbraw/zinc/23/93/85/411239385.db2.gz NKNMNQLYUAEOJN-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000310528002 411239386 /nfs/dbraw/zinc/23/93/86/411239386.db2.gz NKNMNQLYUAEOJN-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCCC1 ZINC000310528002 411239388 /nfs/dbraw/zinc/23/93/88/411239388.db2.gz NKNMNQLYUAEOJN-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCCC1 ZINC000310528002 411239390 /nfs/dbraw/zinc/23/93/90/411239390.db2.gz NKNMNQLYUAEOJN-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CCOCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655695123 411239648 /nfs/dbraw/zinc/23/96/48/411239648.db2.gz RFECNNLKIROEJR-ZDUSSCGKSA-N 2 1 242.363 0.866 20 0 BCADMP CO[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542890 411241296 /nfs/dbraw/zinc/24/12/96/411241296.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CS1 ZINC000655713365 411267114 /nfs/dbraw/zinc/26/71/14/411267114.db2.gz ZPHDXXMNEUIIEC-GMTAPVOTSA-N 2 1 232.393 0.783 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(CC(C)(C)C[NH3+])nn1 ZINC000656458183 411267390 /nfs/dbraw/zinc/26/73/90/411267390.db2.gz ZPZSIPZXUOAOJT-UHFFFAOYSA-N 2 1 248.334 0.816 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656467923 411279372 /nfs/dbraw/zinc/27/93/72/411279372.db2.gz HAJBQJZIRNEBPT-GFCCVEGCSA-N 2 1 235.335 0.798 20 0 BCADMP NC(=[NH2+])NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000656508471 411288471 /nfs/dbraw/zinc/28/84/71/411288471.db2.gz GVKLVWOQHXIRGV-LBPRGKRZSA-N 2 1 248.330 0.236 20 0 BCADMP CC1(C)C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000062613206 411309262 /nfs/dbraw/zinc/30/92/62/411309262.db2.gz FWFYZPSWXQFATB-UHFFFAOYSA-N 2 1 227.352 0.002 20 0 BCADMP CCc1nn(C)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000124612023 411254552 /nfs/dbraw/zinc/25/45/52/411254552.db2.gz HUGWNHXPHXNTAJ-PHIMTYICSA-N 2 1 234.347 0.634 20 0 BCADMP CCc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000124612023 411254556 /nfs/dbraw/zinc/25/45/56/411254556.db2.gz HUGWNHXPHXNTAJ-PHIMTYICSA-N 2 1 234.347 0.634 20 0 BCADMP CN(CCC[NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441181 411259920 /nfs/dbraw/zinc/25/99/20/411259920.db2.gz UWMHGCMNKYQDTI-UHFFFAOYSA-N 2 1 246.318 0.443 20 0 BCADMP CN1c2ccccc2C[C@@H]([NH2+]CCC[NH3+])C1=O ZINC000656787348 411366449 /nfs/dbraw/zinc/36/64/49/411366449.db2.gz HZXDKEKPQGXPRZ-LLVKDONJSA-N 2 1 233.315 0.513 20 0 BCADMP CN(C)C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000656787986 411368195 /nfs/dbraw/zinc/36/81/95/411368195.db2.gz CITMJOJZSATMSE-NSHDSACASA-N 2 1 240.351 0.084 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656790899 411370086 /nfs/dbraw/zinc/37/00/86/411370086.db2.gz CGXWJBMYLJETTH-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790895 411371214 /nfs/dbraw/zinc/37/12/14/411371214.db2.gz BXMDPJRNCJGPQA-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000069839786 411371933 /nfs/dbraw/zinc/37/19/33/411371933.db2.gz AILKYRUDLVTWTG-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287047 411388586 /nfs/dbraw/zinc/38/85/86/411388586.db2.gz INJNLMXMRQCMAQ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000654407809 411391119 /nfs/dbraw/zinc/39/11/19/411391119.db2.gz UNKSTXJVJZGIHC-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)CC[N@H+]1C ZINC000404219859 411384261 /nfs/dbraw/zinc/38/42/61/411384261.db2.gz KDWAZMDGBJNPQR-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131464455 168290342 /nfs/dbraw/zinc/29/03/42/168290342.db2.gz LREBMKWKTPISTH-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131464455 168290343 /nfs/dbraw/zinc/29/03/43/168290343.db2.gz LREBMKWKTPISTH-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000653052001 411405388 /nfs/dbraw/zinc/40/53/88/411405388.db2.gz QUFXPOPITMNVBI-SSDOTTSWSA-N 2 1 223.267 0.070 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659439996 411414715 /nfs/dbraw/zinc/41/47/15/411414715.db2.gz DMLSEILHBPTEND-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1C[NH3+] ZINC000405196212 411419614 /nfs/dbraw/zinc/41/96/14/411419614.db2.gz CBEVCACWEXOTAF-CHWSQXEVSA-N 2 1 244.379 0.955 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000659512907 411424883 /nfs/dbraw/zinc/42/48/83/411424883.db2.gz RTDURDUQLBYBDO-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000653587176 411427348 /nfs/dbraw/zinc/42/73/48/411427348.db2.gz TWMPMCWZFSKVRN-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000653587176 411427352 /nfs/dbraw/zinc/42/73/52/411427352.db2.gz TWMPMCWZFSKVRN-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000653587176 411427356 /nfs/dbraw/zinc/42/73/56/411427356.db2.gz TWMPMCWZFSKVRN-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000653587176 411427359 /nfs/dbraw/zinc/42/73/59/411427359.db2.gz TWMPMCWZFSKVRN-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP CCO[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405370631 411427461 /nfs/dbraw/zinc/42/74/61/411427461.db2.gz JLWMSYZISCHMKS-HBNTYKKESA-N 2 1 216.325 0.317 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659540793 411432310 /nfs/dbraw/zinc/43/23/10/411432310.db2.gz XAZYCLOATAIOGT-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611168 411441608 /nfs/dbraw/zinc/44/16/08/411441608.db2.gz QCMYHFBRDUBHSG-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP Nc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000306292822 411442286 /nfs/dbraw/zinc/44/22/86/411442286.db2.gz WBNFRJYXPNTUNV-ZETCQYMHSA-N 2 1 212.322 0.506 20 0 BCADMP Nc1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000306292822 411442290 /nfs/dbraw/zinc/44/22/90/411442290.db2.gz WBNFRJYXPNTUNV-ZETCQYMHSA-N 2 1 212.322 0.506 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C2CC2)CC[N@H+]1C ZINC000637829096 411443745 /nfs/dbraw/zinc/44/37/45/411443745.db2.gz YXMJNUHABTVRNB-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)CC(C)C ZINC000653621513 411446441 /nfs/dbraw/zinc/44/64/41/411446441.db2.gz QVRIHNFTYWKMCE-STQMWFEESA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)CC(C)C ZINC000653621513 411446444 /nfs/dbraw/zinc/44/64/44/411446444.db2.gz QVRIHNFTYWKMCE-STQMWFEESA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000653621513 411446445 /nfs/dbraw/zinc/44/64/45/411446445.db2.gz QVRIHNFTYWKMCE-STQMWFEESA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000653621513 411446448 /nfs/dbraw/zinc/44/64/48/411446448.db2.gz QVRIHNFTYWKMCE-STQMWFEESA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000655051636 411485841 /nfs/dbraw/zinc/48/58/41/411485841.db2.gz FXYQJVYQKWARPU-JTQLQIEISA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000655051636 411485843 /nfs/dbraw/zinc/48/58/43/411485843.db2.gz FXYQJVYQKWARPU-JTQLQIEISA-N 2 1 225.336 0.147 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051752 411486558 /nfs/dbraw/zinc/48/65/58/411486558.db2.gz IMTOAHXKCIZDHO-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051752 411486560 /nfs/dbraw/zinc/48/65/60/411486560.db2.gz IMTOAHXKCIZDHO-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528007 /nfs/dbraw/zinc/52/80/07/411528007.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528010 /nfs/dbraw/zinc/52/80/10/411528010.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528013 /nfs/dbraw/zinc/52/80/13/411528013.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528015 /nfs/dbraw/zinc/52/80/15/411528015.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528017 /nfs/dbraw/zinc/52/80/17/411528017.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528019 /nfs/dbraw/zinc/52/80/19/411528019.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528022 /nfs/dbraw/zinc/52/80/22/411528022.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 1 249.362 0.763 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000044802681 170008049 /nfs/dbraw/zinc/00/80/49/170008049.db2.gz CGJLNBXIIXGZMU-UWVGGRQHSA-N 2 1 213.325 0.039 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464019 170008664 /nfs/dbraw/zinc/00/86/64/170008664.db2.gz IGDRZIASAYLXKY-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000358348703 170013066 /nfs/dbraw/zinc/01/30/66/170013066.db2.gz WBQDDUIVYLGEFY-NWDGAFQWSA-N 2 1 242.363 0.315 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372119203 170015077 /nfs/dbraw/zinc/01/50/77/170015077.db2.gz XPTFEOGGUXUXAK-PWSUYJOCSA-N 2 1 243.326 0.146 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250245219 170015221 /nfs/dbraw/zinc/01/52/21/170015221.db2.gz HVXCZUZAUXNRSU-MNOVXSKESA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484128 170015368 /nfs/dbraw/zinc/01/53/68/170015368.db2.gz AIPDSPBCYCTRQA-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000037484128 170015370 /nfs/dbraw/zinc/01/53/70/170015370.db2.gz AIPDSPBCYCTRQA-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000372119204 170015517 /nfs/dbraw/zinc/01/55/17/170015517.db2.gz XPTFEOGGUXUXAK-ZYHUDNBSSA-N 2 1 243.326 0.146 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000236848211 170018786 /nfs/dbraw/zinc/01/87/86/170018786.db2.gz PFISQAIHJLOXSU-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000357253136 170018801 /nfs/dbraw/zinc/01/88/01/170018801.db2.gz WRUGUOCSNKKDDI-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@H](C)C1 ZINC000121874350 170020267 /nfs/dbraw/zinc/02/02/67/170020267.db2.gz LBWYCNXDSQAVFU-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)COC)[C@H](C)C1 ZINC000305766297 170020299 /nfs/dbraw/zinc/02/02/99/170020299.db2.gz FRESOFLJMYGSGF-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)COC)[C@@H](C)C1 ZINC000305766296 170020480 /nfs/dbraw/zinc/02/04/80/170020480.db2.gz FRESOFLJMYGSGF-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)COC2)[C@H](C)C1 ZINC000358348701 170021530 /nfs/dbraw/zinc/02/15/30/170021530.db2.gz WBQDDUIVYLGEFY-NEPJUHHUSA-N 2 1 242.363 0.315 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000358085588 170021737 /nfs/dbraw/zinc/02/17/37/170021737.db2.gz NTHMCWPTDSBWTI-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125621 170021985 /nfs/dbraw/zinc/02/19/85/170021985.db2.gz IEJIARDYXKEWNM-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1C[C@H](N[C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777320 170037419 /nfs/dbraw/zinc/03/74/19/170037419.db2.gz IDHNXAFMTCVCFG-AXFHLTTASA-N 2 1 225.336 0.147 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+](C)C)C1 ZINC000336768132 170037837 /nfs/dbraw/zinc/03/78/37/170037837.db2.gz TTXPKPMZUVGPAO-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332639672 170040981 /nfs/dbraw/zinc/04/09/81/170040981.db2.gz AMCSLWQRJGQBFH-UTLUCORTSA-N 2 1 211.309 0.077 20 0 BCADMP CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000270616614 170053782 /nfs/dbraw/zinc/05/37/82/170053782.db2.gz JJFAUKPIHSPIQY-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270616614 170053784 /nfs/dbraw/zinc/05/37/84/170053784.db2.gz JJFAUKPIHSPIQY-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919229 170056064 /nfs/dbraw/zinc/05/60/64/170056064.db2.gz RTBAJZBKEZPLQH-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250309590 170059589 /nfs/dbraw/zinc/05/95/89/170059589.db2.gz SEGDWIYREPBKFQ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250309590 170059590 /nfs/dbraw/zinc/05/95/90/170059590.db2.gz SEGDWIYREPBKFQ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000006651223 170088078 /nfs/dbraw/zinc/08/80/78/170088078.db2.gz WIFMIFWPDBQTCC-LLVKDONJSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331916442 170095932 /nfs/dbraw/zinc/09/59/32/170095932.db2.gz GIZUUBJGDYHIBA-DCAQKATOSA-N 2 1 227.352 0.761 20 0 BCADMP CC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC000236905456 170115080 /nfs/dbraw/zinc/11/50/80/170115080.db2.gz UEYCNLINHJIGPU-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP CCOC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475018 170219238 /nfs/dbraw/zinc/21/92/38/170219238.db2.gz BUGXLGMTQQBPNY-SECBINFHSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000660281731 411564609 /nfs/dbraw/zinc/56/46/09/411564609.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000660281731 411564610 /nfs/dbraw/zinc/56/46/10/411564610.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000660281731 411564612 /nfs/dbraw/zinc/56/46/12/411564612.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000660281731 411564614 /nfs/dbraw/zinc/56/46/14/411564614.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000660281732 411564637 /nfs/dbraw/zinc/56/46/37/411564637.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000660281732 411564639 /nfs/dbraw/zinc/56/46/39/411564639.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000660281732 411564640 /nfs/dbraw/zinc/56/46/40/411564640.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000660281732 411564641 /nfs/dbraw/zinc/56/46/41/411564641.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657809011 411601644 /nfs/dbraw/zinc/60/16/44/411601644.db2.gz RVMQPDCUVLLQQQ-YFKTTZPYSA-N 2 1 210.321 0.726 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C)CC1 ZINC000657822994 411606843 /nfs/dbraw/zinc/60/68/43/411606843.db2.gz GDXPXQOAHDALTE-JTQLQIEISA-N 2 1 223.324 0.350 20 0 BCADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657831059 411608989 /nfs/dbraw/zinc/60/89/89/411608989.db2.gz RCNWTOCBOZSIRZ-LBPRGKRZSA-N 2 1 239.367 0.987 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657845557 411610689 /nfs/dbraw/zinc/61/06/89/411610689.db2.gz MAMNZJMLZMMKJH-LLVKDONJSA-N 2 1 248.334 0.851 20 0 BCADMP C[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662966 411615583 /nfs/dbraw/zinc/61/55/83/411615583.db2.gz MEXVEPFCNWDAFD-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662966 411615584 /nfs/dbraw/zinc/61/55/84/411615584.db2.gz MEXVEPFCNWDAFD-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662966 411615585 /nfs/dbraw/zinc/61/55/85/411615585.db2.gz MEXVEPFCNWDAFD-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662960 411616104 /nfs/dbraw/zinc/61/61/04/411616104.db2.gz MEXVEPFCNWDAFD-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662960 411616105 /nfs/dbraw/zinc/61/61/05/411616105.db2.gz MEXVEPFCNWDAFD-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662960 411616106 /nfs/dbraw/zinc/61/61/06/411616106.db2.gz MEXVEPFCNWDAFD-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC000660696134 411618206 /nfs/dbraw/zinc/61/82/06/411618206.db2.gz NKAWZWHSRLGLRN-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000660920170 411668914 /nfs/dbraw/zinc/66/89/14/411668914.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000660920170 411668916 /nfs/dbraw/zinc/66/89/16/411668916.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CCO ZINC000660920170 411668919 /nfs/dbraw/zinc/66/89/19/411668919.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000660920170 411668921 /nfs/dbraw/zinc/66/89/21/411668921.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP C([N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493112 411673448 /nfs/dbraw/zinc/67/34/48/411673448.db2.gz FPHIGKSZWJENJS-RFQIPJPRSA-N 3 1 235.375 0.527 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663496998 411678354 /nfs/dbraw/zinc/67/83/54/411678354.db2.gz KLZRUQAVGGPDNT-KKOKHZNYSA-N 3 1 209.337 0.326 20 0 BCADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663498773 411682011 /nfs/dbraw/zinc/68/20/11/411682011.db2.gz UBJDWSQOHDFXQA-QJPTWQEYSA-N 3 1 209.337 0.328 20 0 BCADMP Cc1ccc(NCCC[NH2+]CCC(N)=O)[nH+]c1 ZINC000576749707 411690506 /nfs/dbraw/zinc/69/05/06/411690506.db2.gz WATMBFOOFNMTTA-UHFFFAOYSA-N 2 1 236.319 0.657 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512198 411694148 /nfs/dbraw/zinc/69/41/48/411694148.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512198 411694151 /nfs/dbraw/zinc/69/41/51/411694151.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 2 1 239.363 0.049 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)CC1=CCCOC1 ZINC000661654527 411831543 /nfs/dbraw/zinc/83/15/43/411831543.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 1 242.363 0.578 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226397269 170723429 /nfs/dbraw/zinc/72/34/29/170723429.db2.gz XUXYCUZWUVKJSZ-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CCN(C)Cc1cn(C)nn1 ZINC000661743348 411860220 /nfs/dbraw/zinc/86/02/20/411860220.db2.gz GNCSUMQDCZFJFV-UHFFFAOYSA-N 2 1 234.307 0.452 20 0 BCADMP C[NH+](C)CCC[N@H+](C)CCNc1ncccn1 ZINC000664247828 411897888 /nfs/dbraw/zinc/89/78/88/411897888.db2.gz SDCLJQBFVGJJPW-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncccn1 ZINC000664247828 411897891 /nfs/dbraw/zinc/89/78/91/411897891.db2.gz SDCLJQBFVGJJPW-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853532 411902958 /nfs/dbraw/zinc/90/29/58/411902958.db2.gz UFCHJNLYUSLZIJ-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000564989877 411910544 /nfs/dbraw/zinc/91/05/44/411910544.db2.gz XSSHXCUUFCFUNR-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000564989877 411910549 /nfs/dbraw/zinc/91/05/49/411910549.db2.gz XSSHXCUUFCFUNR-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N)s1 ZINC000381645291 411929031 /nfs/dbraw/zinc/92/90/31/411929031.db2.gz BLUGMHPWHPZWJW-YUMQZZPRSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N)s1 ZINC000381645291 411929036 /nfs/dbraw/zinc/92/90/36/411929036.db2.gz BLUGMHPWHPZWJW-YUMQZZPRSA-N 2 1 226.349 1.037 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccnc(N)c1 ZINC000420321803 411880897 /nfs/dbraw/zinc/88/08/97/411880897.db2.gz RWAKSOOMFXWFIQ-LBPRGKRZSA-N 2 1 222.336 1.127 20 0 BCADMP CC[C@@](C)([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068541 411884496 /nfs/dbraw/zinc/88/44/96/411884496.db2.gz QDQLTXFCULEESS-GFCCVEGCSA-N 2 1 246.318 0.888 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150106 412008372 /nfs/dbraw/zinc/00/83/72/412008372.db2.gz UDESQOJSHRDGSA-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662150106 412008374 /nfs/dbraw/zinc/00/83/74/412008374.db2.gz UDESQOJSHRDGSA-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]C ZINC000664719754 412012788 /nfs/dbraw/zinc/01/27/88/412012788.db2.gz XLZPDMLRWNGTHM-JTQLQIEISA-N 2 1 229.368 0.831 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CC ZINC000664720523 412013923 /nfs/dbraw/zinc/01/39/23/412013923.db2.gz LTVRJHYAIVUYPG-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)C[NH3+] ZINC000664718376 412014121 /nfs/dbraw/zinc/01/41/21/412014121.db2.gz CVDFDCXEYXJCPF-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000647552082 411957883 /nfs/dbraw/zinc/95/78/83/411957883.db2.gz FJRJXFHKTZKISB-GHMZBOCLSA-N 2 1 220.320 1.023 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662267002 412059016 /nfs/dbraw/zinc/05/90/16/412059016.db2.gz RLSJTAQGBHCHRA-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000662237353 412034986 /nfs/dbraw/zinc/03/49/86/412034986.db2.gz IRUBEDBJPYGXBO-NWDGAFQWSA-N 2 1 230.352 0.579 20 0 BCADMP [NH3+]C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662239470 412036803 /nfs/dbraw/zinc/03/68/03/412036803.db2.gz CRPMHVZOTOSTJS-SECBINFHSA-N 2 1 220.263 0.834 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000662242986 412038020 /nfs/dbraw/zinc/03/80/20/412038020.db2.gz GIZWZIQLLSRUSK-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000662242986 412038024 /nfs/dbraw/zinc/03/80/24/412038024.db2.gz GIZWZIQLLSRUSK-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245139 412041197 /nfs/dbraw/zinc/04/11/97/412041197.db2.gz HWUNWEDFILZYCG-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245139 412041200 /nfs/dbraw/zinc/04/12/00/412041200.db2.gz HWUNWEDFILZYCG-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[C@@](C)(CN)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247872 412044512 /nfs/dbraw/zinc/04/45/12/412044512.db2.gz NNGIJSGLGCVFLL-NWDGAFQWSA-N 2 1 241.379 0.470 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000662247627 412044873 /nfs/dbraw/zinc/04/48/73/412044873.db2.gz HGWYJDDSLCRZED-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000662247627 412044877 /nfs/dbraw/zinc/04/48/77/412044877.db2.gz HGWYJDDSLCRZED-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CN1CCC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662247955 412046112 /nfs/dbraw/zinc/04/61/12/412046112.db2.gz PNZWZSOXFBXVBE-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP CN1CCC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662247955 412046113 /nfs/dbraw/zinc/04/61/13/412046113.db2.gz PNZWZSOXFBXVBE-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251052 412048346 /nfs/dbraw/zinc/04/83/46/412048346.db2.gz WXBDFRPZQYBNES-NSHDSACASA-N 2 1 210.321 0.992 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)CO1 ZINC000662252009 412048500 /nfs/dbraw/zinc/04/85/00/412048500.db2.gz LAVWOKHBCSFORW-QJPTWQEYSA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251538 412048531 /nfs/dbraw/zinc/04/85/31/412048531.db2.gz DXWATNYALRASBP-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP CCOCC[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255045 412050212 /nfs/dbraw/zinc/05/02/12/412050212.db2.gz VZWKXYIQLVHQKX-LBPRGKRZSA-N 2 1 242.363 0.866 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257648 412050918 /nfs/dbraw/zinc/05/09/18/412050918.db2.gz FJMRWZHEFJEJKD-LLVKDONJSA-N 2 1 242.363 0.864 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259006 412052915 /nfs/dbraw/zinc/05/29/15/412052915.db2.gz NYEPJBJXRJYCOA-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259005 412054287 /nfs/dbraw/zinc/05/42/87/412054287.db2.gz NYEPJBJXRJYCOA-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662266207 412058466 /nfs/dbraw/zinc/05/84/66/412058466.db2.gz KTJOIZCRQJNIHJ-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662266207 412058470 /nfs/dbraw/zinc/05/84/70/412058470.db2.gz KTJOIZCRQJNIHJ-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265796 412058586 /nfs/dbraw/zinc/05/85/86/412058586.db2.gz ZLKVWCLVMPSHID-LLVKDONJSA-N 2 1 236.319 0.363 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272577 412062165 /nfs/dbraw/zinc/06/21/65/412062165.db2.gz GSZMGLVUCFPNJO-VXGBXAGGSA-N 3 1 239.363 0.178 20 0 BCADMP C[C@]1(C[NH3+])CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272577 412062168 /nfs/dbraw/zinc/06/21/68/412062168.db2.gz GSZMGLVUCFPNJO-VXGBXAGGSA-N 2 1 239.363 0.178 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662272135 412062682 /nfs/dbraw/zinc/06/26/82/412062682.db2.gz KMQNRGCOBHJNSB-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP COC[C@H](C[N@H+](C)[C@H](CN)C1CC1)OC ZINC000662272305 412063100 /nfs/dbraw/zinc/06/31/00/412063100.db2.gz DPCYJICPMMPUCN-WDEREUQCSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@@H+](C)[C@H](CN)C1CC1)OC ZINC000662272305 412063105 /nfs/dbraw/zinc/06/31/05/412063105.db2.gz DPCYJICPMMPUCN-WDEREUQCSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)OC ZINC000662272305 412063110 /nfs/dbraw/zinc/06/31/10/412063110.db2.gz DPCYJICPMMPUCN-WDEREUQCSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)OC ZINC000662272305 412063113 /nfs/dbraw/zinc/06/31/13/412063113.db2.gz DPCYJICPMMPUCN-WDEREUQCSA-N 2 1 216.325 0.317 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272574 412063520 /nfs/dbraw/zinc/06/35/20/412063520.db2.gz GSZMGLVUCFPNJO-RYUDHWBXSA-N 3 1 239.363 0.178 20 0 BCADMP C[C@@]1(C[NH3+])CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272574 412063524 /nfs/dbraw/zinc/06/35/24/412063524.db2.gz GSZMGLVUCFPNJO-RYUDHWBXSA-N 2 1 239.363 0.178 20 0 BCADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](CN)C1CC1 ZINC000662272655 412063820 /nfs/dbraw/zinc/06/38/20/412063820.db2.gz HKNOYPGYDJQYOJ-VXGBXAGGSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](CN)C1CC1 ZINC000662272655 412063825 /nfs/dbraw/zinc/06/38/25/412063825.db2.gz HKNOYPGYDJQYOJ-VXGBXAGGSA-N 2 1 239.363 0.177 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272325 412063842 /nfs/dbraw/zinc/06/38/42/412063842.db2.gz DXYGLPDYHBSQGG-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000245918392 171098635 /nfs/dbraw/zinc/09/86/35/171098635.db2.gz GSPXXSMGUOXOFC-HBNTYKKESA-N 2 1 225.336 0.419 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CNCCO1 ZINC000662273202 412065263 /nfs/dbraw/zinc/06/52/63/412065263.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CNCCO1 ZINC000662273202 412065266 /nfs/dbraw/zinc/06/52/66/412065266.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662273755 412065375 /nfs/dbraw/zinc/06/53/75/412065375.db2.gz ZWGJNEINKKNYRM-NEPJUHHUSA-N 2 1 227.352 0.036 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCC1 ZINC000662275609 412068240 /nfs/dbraw/zinc/06/82/40/412068240.db2.gz CYQFNCOPTXQCOZ-QWRGUYRKSA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000353430960 171147898 /nfs/dbraw/zinc/14/78/98/171147898.db2.gz XPDIXLZHJOJJGL-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000353435644 171148991 /nfs/dbraw/zinc/14/89/91/171148991.db2.gz WWZZVHXPFZBMLO-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000353435644 171148992 /nfs/dbraw/zinc/14/89/92/171148992.db2.gz WWZZVHXPFZBMLO-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000353462408 171149195 /nfs/dbraw/zinc/14/91/95/171149195.db2.gz SIVMHVNTLDCSLO-SFYZADRCSA-N 2 1 235.278 0.085 20 0 BCADMP C1=CCC(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000662276758 412069577 /nfs/dbraw/zinc/06/95/77/412069577.db2.gz PMNZQGDIEBJCQD-AWEZNQCLSA-N 2 1 235.375 0.932 20 0 BCADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000359923244 171182782 /nfs/dbraw/zinc/18/27/82/171182782.db2.gz KCSHDLIQLPQMRD-CYBMUJFWSA-N 2 1 244.379 0.848 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000365504774 171225718 /nfs/dbraw/zinc/22/57/18/171225718.db2.gz CGBUAJZVWRSNII-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000352777697 171226081 /nfs/dbraw/zinc/22/60/81/171226081.db2.gz CJIBLTLEKYNYSN-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000352777697 171226084 /nfs/dbraw/zinc/22/60/84/171226084.db2.gz CJIBLTLEKYNYSN-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+](C)C ZINC000357620014 171228717 /nfs/dbraw/zinc/22/87/17/171228717.db2.gz JZYGKARAVNTILC-GFCCVEGCSA-N 2 1 239.363 0.705 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+](C)C ZINC000357620014 171228718 /nfs/dbraw/zinc/22/87/18/171228718.db2.gz JZYGKARAVNTILC-GFCCVEGCSA-N 2 1 239.363 0.705 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000338963479 171232356 /nfs/dbraw/zinc/23/23/56/171232356.db2.gz KCEDLNMJVPFPHL-IJLUTSLNSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](COC)OC ZINC000662281860 412073413 /nfs/dbraw/zinc/07/34/13/412073413.db2.gz QIVMARVCQRRJHN-SNVBAGLBSA-N 2 1 204.314 0.189 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283824 412074603 /nfs/dbraw/zinc/07/46/03/412074603.db2.gz QGJBTTUODAZOCA-QJPTWQEYSA-N 2 1 239.363 0.367 20 0 BCADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237121567 171306897 /nfs/dbraw/zinc/30/68/97/171306897.db2.gz PYGRNUMRGDNOHG-VHSXEESVSA-N 2 1 245.392 0.495 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237121567 171306899 /nfs/dbraw/zinc/30/68/99/171306899.db2.gz PYGRNUMRGDNOHG-VHSXEESVSA-N 2 1 245.392 0.495 20 0 BCADMP COC[C@@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC000662295378 412084708 /nfs/dbraw/zinc/08/47/08/412084708.db2.gz QRJJWLAMYDPAKB-SECBINFHSA-N 2 1 204.314 0.317 20 0 BCADMP COC[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC000662295378 412084710 /nfs/dbraw/zinc/08/47/10/412084710.db2.gz QRJJWLAMYDPAKB-SECBINFHSA-N 2 1 204.314 0.317 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249190 171332215 /nfs/dbraw/zinc/33/22/15/171332215.db2.gz KXURTFVAKGBCAT-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249190 171332216 /nfs/dbraw/zinc/33/22/16/171332216.db2.gz KXURTFVAKGBCAT-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225884 171333813 /nfs/dbraw/zinc/33/38/13/171333813.db2.gz KXURTFVAKGBCAT-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225884 171333815 /nfs/dbraw/zinc/33/38/15/171333815.db2.gz KXURTFVAKGBCAT-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP OCC1([NH2+]CCOCC2CC2)CC[NH2+]CC1 ZINC000662287069 412079994 /nfs/dbraw/zinc/07/99/94/412079994.db2.gz RRIQDLRPHZXCIU-UHFFFAOYSA-N 2 1 228.336 0.117 20 0 BCADMP COc1ccc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000662294352 412081534 /nfs/dbraw/zinc/08/15/34/412081534.db2.gz BGJXKKYFDPFACW-UHFFFAOYSA-N 2 1 239.319 0.497 20 0 BCADMP c1cn(C[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662294337 412082048 /nfs/dbraw/zinc/08/20/48/412082048.db2.gz ASADYMGSPUSFTL-OLZOCXBDSA-N 2 1 249.362 0.600 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398096 171370928 /nfs/dbraw/zinc/37/09/28/171370928.db2.gz RGZVHDIDRCORHI-CMPLNLGQSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480112 171371244 /nfs/dbraw/zinc/37/12/44/171371244.db2.gz VCLGQFZCLYCOTD-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP c1cn(C[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662294336 412082457 /nfs/dbraw/zinc/08/24/57/412082457.db2.gz ASADYMGSPUSFTL-CHWSQXEVSA-N 2 1 249.362 0.600 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484903 171395485 /nfs/dbraw/zinc/39/54/85/171395485.db2.gz SFONRDQYIAQCBS-DCAQKATOSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000662386494 412139805 /nfs/dbraw/zinc/13/98/05/412139805.db2.gz BBJPZVZGALLNLK-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000662387164 412140393 /nfs/dbraw/zinc/14/03/93/412140393.db2.gz ITWWLEWYZVRGFT-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662301429 412086004 /nfs/dbraw/zinc/08/60/04/412086004.db2.gz CSAGGXNOUYXYQP-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000662301229 412086652 /nfs/dbraw/zinc/08/66/52/412086652.db2.gz PMDRXCVYXFLKDJ-QWRGUYRKSA-N 2 1 200.326 0.818 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307732 412092465 /nfs/dbraw/zinc/09/24/65/412092465.db2.gz YKRKZGXLVLKITQ-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]([NH3+])C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662317079 412094647 /nfs/dbraw/zinc/09/46/47/412094647.db2.gz MNQJMCGZGNFYQS-GFCCVEGCSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662317079 412094651 /nfs/dbraw/zinc/09/46/51/412094651.db2.gz MNQJMCGZGNFYQS-GFCCVEGCSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1CCC[NH3+] ZINC000662315253 412095690 /nfs/dbraw/zinc/09/56/90/412095690.db2.gz GWCLWYJKUVWCND-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP COCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316612 412098294 /nfs/dbraw/zinc/09/82/94/412098294.db2.gz KKRUYXBESMGSGY-GFCCVEGCSA-N 2 1 230.352 0.675 20 0 BCADMP COCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316612 412098295 /nfs/dbraw/zinc/09/82/95/412098295.db2.gz KKRUYXBESMGSGY-GFCCVEGCSA-N 2 1 230.352 0.675 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323363 412101467 /nfs/dbraw/zinc/10/14/67/412101467.db2.gz YXIWHADUBTWBEW-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325965 412102797 /nfs/dbraw/zinc/10/27/97/412102797.db2.gz MNIIWIPQPJOHKM-VXGBXAGGSA-N 2 1 240.326 0.724 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662332462 412106208 /nfs/dbraw/zinc/10/62/08/412106208.db2.gz WDQNDNVLTIOYIX-PWSUYJOCSA-N 2 1 214.353 0.935 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000662364293 412122798 /nfs/dbraw/zinc/12/27/98/412122798.db2.gz XOGBLVZAXXGQBC-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000662364297 412124183 /nfs/dbraw/zinc/12/41/83/412124183.db2.gz XOGBLVZAXXGQBC-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000662442109 412177060 /nfs/dbraw/zinc/17/70/60/412177060.db2.gz QJPLFGZMECNPAR-GXSJLCMTSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H]([NH2+]C/C=C/CO)c1c[nH+]ccc1N ZINC000665239120 412180961 /nfs/dbraw/zinc/18/09/61/412180961.db2.gz MFQVMMDUBPSXSL-HPOULIHZSA-N 2 1 207.277 0.693 20 0 BCADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000665243353 412186805 /nfs/dbraw/zinc/18/68/05/412186805.db2.gz AXYINMFMNVBZLU-DCAQKATOSA-N 2 1 209.337 0.563 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000662474661 412187486 /nfs/dbraw/zinc/18/74/86/412187486.db2.gz ASOXLCWMLMWPCY-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662496828 412195131 /nfs/dbraw/zinc/19/51/31/412195131.db2.gz BWZXMRHNENHEEB-ZYHUDNBSSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662496825 412195533 /nfs/dbraw/zinc/19/55/33/412195533.db2.gz BWZXMRHNENHEEB-JQWIXIFHSA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000665261948 412204349 /nfs/dbraw/zinc/20/43/49/412204349.db2.gz PCOICTOSPPOROU-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CC)CC1 ZINC000662523320 412204374 /nfs/dbraw/zinc/20/43/74/412204374.db2.gz LPDLRJCEBLALGR-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000665261651 412204465 /nfs/dbraw/zinc/20/44/65/412204465.db2.gz ISMGDEBDQAKIJV-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662529570 412205216 /nfs/dbraw/zinc/20/52/16/412205216.db2.gz ZVCFELULZJWWQO-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)C1C[NH2+]C1 ZINC000665265140 412209305 /nfs/dbraw/zinc/20/93/05/412209305.db2.gz QIBRERWKNORDAP-VIFPVBQESA-N 2 1 234.347 0.995 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000662410250 412154281 /nfs/dbraw/zinc/15/42/81/412154281.db2.gz XAHSIJZBPANNRD-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP C[NH+](C)CCOCCNc1[nH+]cnc2[nH]ccc21 ZINC000359246982 412162460 /nfs/dbraw/zinc/16/24/60/412162460.db2.gz WBBCJZZRHFOCME-UHFFFAOYSA-N 2 1 249.318 0.948 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCCn1cc[nH+]c1C ZINC000662426775 412164954 /nfs/dbraw/zinc/16/49/54/412164954.db2.gz BYBXHHLIURSUDB-JTQLQIEISA-N 2 1 224.308 0.306 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCCn1cc[nH+]c1C ZINC000662426776 412165604 /nfs/dbraw/zinc/16/56/04/412165604.db2.gz BYBXHHLIURSUDB-SNVBAGLBSA-N 2 1 224.308 0.306 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000662702630 412275448 /nfs/dbraw/zinc/27/54/48/412275448.db2.gz AQJFQWVIHLSBHU-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662711227 412280034 /nfs/dbraw/zinc/28/00/34/412280034.db2.gz MYKOLFBFCBMSRH-GMTAPVOTSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662720225 412283447 /nfs/dbraw/zinc/28/34/47/412283447.db2.gz WJSBXGAPBACIPT-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719989 412283778 /nfs/dbraw/zinc/28/37/78/412283778.db2.gz NOPFMIPZHKPJAG-QWKFWESOSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277760 412220985 /nfs/dbraw/zinc/22/09/85/412220985.db2.gz KVEANKJZDYRMEA-GMKTYKIGSA-N 2 1 223.364 0.811 20 0 BCADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278098 412221558 /nfs/dbraw/zinc/22/15/58/412221558.db2.gz VBRWLSIUJSDWDK-QPPOZKHWSA-N 2 1 235.375 0.955 20 0 BCADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000665278830 412222695 /nfs/dbraw/zinc/22/26/95/412222695.db2.gz PPELUXJCJMOISK-UZEXVOJHSA-N 2 1 210.321 0.896 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279785 412223782 /nfs/dbraw/zinc/22/37/82/412223782.db2.gz MFWSXRIZOQYJKO-MOENNCHZSA-N 3 1 227.352 0.082 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662586162 412230903 /nfs/dbraw/zinc/23/09/03/412230903.db2.gz POEUDZLNPRUQIB-JTQLQIEISA-N 2 1 236.319 0.900 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)Cc1cnc[nH]1 ZINC000662585151 412231007 /nfs/dbraw/zinc/23/10/07/412231007.db2.gz IBEDUIWVIFNBTA-QMMMGPOBSA-N 2 1 210.281 0.496 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)Cc1cnc[nH]1 ZINC000662585150 412231349 /nfs/dbraw/zinc/23/13/49/412231349.db2.gz IBEDUIWVIFNBTA-MRVPVSSYSA-N 2 1 210.281 0.496 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1CCC[NH2+]1 ZINC000662585965 412231366 /nfs/dbraw/zinc/23/13/66/412231366.db2.gz NAZOBHUTHKRSAV-SECBINFHSA-N 2 1 208.265 0.120 20 0 BCADMP C[C@H](CCNC(=O)CC(F)(F)C[NH3+])[NH+](C)C ZINC000662632322 412233568 /nfs/dbraw/zinc/23/35/68/412233568.db2.gz BVRVZQKQCWVSIZ-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593618 412234004 /nfs/dbraw/zinc/23/40/04/412234004.db2.gz PQACUYZOGJMESC-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621063 412244826 /nfs/dbraw/zinc/24/48/26/412244826.db2.gz TZKMKJKVJMLGQB-LLVKDONJSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662873550 412332411 /nfs/dbraw/zinc/33/24/11/412332411.db2.gz ZIODHFJBQISFOP-YATPEIPISA-N 2 1 239.363 0.726 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@@H]1C ZINC000662744217 412289905 /nfs/dbraw/zinc/28/99/05/412289905.db2.gz YGJBIALHCOVBKA-SDDRHHMPSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000662746806 412290011 /nfs/dbraw/zinc/29/00/11/412290011.db2.gz RSCMTRZIJKAIEY-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662750027 412291952 /nfs/dbraw/zinc/29/19/52/412291952.db2.gz NSSHRDCFKPZOES-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662764848 412294708 /nfs/dbraw/zinc/29/47/08/412294708.db2.gz AWEBESMOCFQVQV-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945822 412373318 /nfs/dbraw/zinc/37/33/18/412373318.db2.gz HOZUDCICINUDKJ-KXUCPTDWSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CC[N@H+]1C ZINC000132971863 412378330 /nfs/dbraw/zinc/37/83/30/412378330.db2.gz HQYFURLOBGHIJY-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP CN(C)c1nc(N2CC[C@@H](F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000663277350 412406142 /nfs/dbraw/zinc/40/61/42/412406142.db2.gz YUNKESXONVMWAN-RKDXNWHRSA-N 2 1 239.298 0.418 20 0 BCADMP CN(C(=O)NC[C@@H]1CCC[N@H+]1C)C1CC([NH3+])C1 ZINC000333896878 172320361 /nfs/dbraw/zinc/32/03/61/172320361.db2.gz AWHRQLYQJFKOKD-YVNMAJEFSA-N 2 1 240.351 0.212 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000037898075 172357766 /nfs/dbraw/zinc/35/77/66/172357766.db2.gz DZXSASTWFAXLLL-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310557946 172358491 /nfs/dbraw/zinc/35/84/91/172358491.db2.gz ZFWKBTPXDNCGRS-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000363058360 172397468 /nfs/dbraw/zinc/39/74/68/172397468.db2.gz NRUZRYVIUKROFN-FVOPLDGLSA-N 2 1 237.347 0.411 20 0 BCADMP Cn1nncc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000375474717 173002953 /nfs/dbraw/zinc/00/29/53/173002953.db2.gz RXMSMLIADZLARV-UHFFFAOYSA-N 2 1 249.362 0.875 20 0 BCADMP Cn1nncc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000375474717 173002954 /nfs/dbraw/zinc/00/29/54/173002954.db2.gz RXMSMLIADZLARV-UHFFFAOYSA-N 2 1 249.362 0.875 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037478188 173012123 /nfs/dbraw/zinc/01/21/23/173012123.db2.gz VGFMAYIFVSLYJB-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037478189 173012135 /nfs/dbraw/zinc/01/21/35/173012135.db2.gz XDWPGXNSHWYOMF-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000020246673 173012708 /nfs/dbraw/zinc/01/27/08/173012708.db2.gz XZAUPJHEAXQEKS-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000337403968 173031786 /nfs/dbraw/zinc/03/17/86/173031786.db2.gz LAOQHVIQLXPYBS-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237122808 173039386 /nfs/dbraw/zinc/03/93/86/173039386.db2.gz TYMDMHIQMPNLHA-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC000336530183 173050253 /nfs/dbraw/zinc/05/02/53/173050253.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 1 208.265 0.120 20 0 BCADMP C[N@@H+]1CCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000336530183 173050256 /nfs/dbraw/zinc/05/02/56/173050256.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 1 208.265 0.120 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000305660808 173050918 /nfs/dbraw/zinc/05/09/18/173050918.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000305660808 173050920 /nfs/dbraw/zinc/05/09/20/173050920.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000305660808 173050923 /nfs/dbraw/zinc/05/09/23/173050923.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049230 173052631 /nfs/dbraw/zinc/05/26/31/173052631.db2.gz VHXFTZUSRCDXNG-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CCO)CC1 ZINC000305100185 173053666 /nfs/dbraw/zinc/05/36/66/173053666.db2.gz BBNZPTFPBPJQHA-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934973 173053754 /nfs/dbraw/zinc/05/37/54/173053754.db2.gz JAGRBYYSZLMISQ-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639458 173059092 /nfs/dbraw/zinc/05/90/92/173059092.db2.gz FGSVOIOORKWNDE-NWDGAFQWSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262371 173059247 /nfs/dbraw/zinc/05/92/47/173059247.db2.gz LGEQTKZOYYBGFR-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055122084 173067143 /nfs/dbraw/zinc/06/71/43/173067143.db2.gz BIYHYSMUPPTCHS-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050931210 173068070 /nfs/dbraw/zinc/06/80/70/173068070.db2.gz JHCFJDOCIIFVIL-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037655368 173115254 /nfs/dbraw/zinc/11/52/54/173115254.db2.gz KIHAIHZQMWWFCK-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1 ZINC000264682168 173115361 /nfs/dbraw/zinc/11/53/61/173115361.db2.gz ORTJXVUTYKIGLA-NSHDSACASA-N 2 1 236.319 0.341 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168035 173116109 /nfs/dbraw/zinc/11/61/09/173116109.db2.gz MBBQDJNVFBUZSD-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCSCC2)C1 ZINC000335602308 173139809 /nfs/dbraw/zinc/13/98/09/173139809.db2.gz OASVKPDFCVRLQH-LLVKDONJSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCSCC2)C1 ZINC000335602308 173139812 /nfs/dbraw/zinc/13/98/12/173139812.db2.gz OASVKPDFCVRLQH-LLVKDONJSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(C)(C)C2)C1 ZINC000308899224 173164858 /nfs/dbraw/zinc/16/48/58/173164858.db2.gz AYQFWRXKMYWJDT-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000364094559 173143902 /nfs/dbraw/zinc/14/39/02/173143902.db2.gz MJCOAZPHJJDPBC-GARJFASQSA-N 2 1 243.326 0.097 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000037995414 173144434 /nfs/dbraw/zinc/14/44/34/173144434.db2.gz NNDZMOAQMSSYDS-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037647110 173145172 /nfs/dbraw/zinc/14/51/72/173145172.db2.gz QCJWPXVHLIGUBM-DGCLKSJQSA-N 2 1 247.342 0.754 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127278768 173147911 /nfs/dbraw/zinc/14/79/11/173147911.db2.gz SYMGSFBNEYPGDW-SECBINFHSA-N 2 1 234.303 0.345 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000131284810 173150967 /nfs/dbraw/zinc/15/09/67/173150967.db2.gz GLJOZNYXFRAZIE-USZNOCQGSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCSC2)C1 ZINC000335602302 173164782 /nfs/dbraw/zinc/16/47/82/173164782.db2.gz KDNCULPLDUJBHV-MNOVXSKESA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCSC2)C1 ZINC000335602302 173164783 /nfs/dbraw/zinc/16/47/83/173164783.db2.gz KDNCULPLDUJBHV-MNOVXSKESA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(C)(C)C2)C1 ZINC000308899224 173164856 /nfs/dbraw/zinc/16/48/56/173164856.db2.gz AYQFWRXKMYWJDT-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCSC2)C1 ZINC000335602303 173165298 /nfs/dbraw/zinc/16/52/98/173165298.db2.gz KDNCULPLDUJBHV-QWRGUYRKSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCSC2)C1 ZINC000335602303 173165301 /nfs/dbraw/zinc/16/53/01/173165301.db2.gz KDNCULPLDUJBHV-QWRGUYRKSA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCCOC2)C1 ZINC000309444211 173165825 /nfs/dbraw/zinc/16/58/25/173165825.db2.gz JIFIUZJDJAQZLC-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCCOC2)C1 ZINC000309444211 173165826 /nfs/dbraw/zinc/16/58/26/173165826.db2.gz JIFIUZJDJAQZLC-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP CN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000310126692 173186696 /nfs/dbraw/zinc/18/66/96/173186696.db2.gz GCQABGAGVMEWOW-HSTDOPHLSA-N 2 1 237.347 0.432 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000336714622 173196058 /nfs/dbraw/zinc/19/60/58/173196058.db2.gz PEMNCFUCSOABPD-TUAOUCFPSA-N 2 1 237.347 0.434 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340709273 173238020 /nfs/dbraw/zinc/23/80/20/173238020.db2.gz HJURIMFXTULVJB-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CNC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000125723178 173251686 /nfs/dbraw/zinc/25/16/86/173251686.db2.gz FCXBKKFTXYAXKN-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000323083551 173280309 /nfs/dbraw/zinc/28/03/09/173280309.db2.gz ZEOZHYBVVFXTCL-SNVBAGLBSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353625258 173281045 /nfs/dbraw/zinc/28/10/45/173281045.db2.gz FSJZGKTUCKLSAG-BDAKNGLRSA-N 2 1 236.319 0.381 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439127 173293915 /nfs/dbraw/zinc/29/39/15/173293915.db2.gz XKSMTIDRQDKNKH-WDEREUQCSA-N 2 1 227.352 0.300 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270660977 173298813 /nfs/dbraw/zinc/29/88/13/173298813.db2.gz OXXBMGGSPKIJRA-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000270660977 173298814 /nfs/dbraw/zinc/29/88/14/173298814.db2.gz OXXBMGGSPKIJRA-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493578 173299066 /nfs/dbraw/zinc/29/90/66/173299066.db2.gz NTYSISXMQXHZIY-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493578 173299067 /nfs/dbraw/zinc/29/90/67/173299067.db2.gz NTYSISXMQXHZIY-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178847719 173326074 /nfs/dbraw/zinc/32/60/74/173326074.db2.gz SQTXBKOTXPXVSC-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+]CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946138 173328467 /nfs/dbraw/zinc/32/84/67/173328467.db2.gz RTOIAKWSAOLSLE-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019503968 173329249 /nfs/dbraw/zinc/32/92/49/173329249.db2.gz SIEJFIHMIUSMFN-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP C[NH2+]CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000165931792 173329327 /nfs/dbraw/zinc/32/93/27/173329327.db2.gz JJKIOCVVCJNKDZ-UHFFFAOYSA-N 2 1 235.331 0.454 20 0 BCADMP C[NH2+]CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000077341706 173329514 /nfs/dbraw/zinc/32/95/14/173329514.db2.gz CVHVOQOEKPTRDS-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000037005289 173334332 /nfs/dbraw/zinc/33/43/32/173334332.db2.gz FTXWJDARUJNRQJ-UHFFFAOYSA-N 2 1 245.286 0.734 20 0 BCADMP C[NH2+]CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269244344 173335284 /nfs/dbraw/zinc/33/52/84/173335284.db2.gz CMRLUKWUXBWGJV-UHFFFAOYSA-N 2 1 208.265 0.306 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000375911487 173339230 /nfs/dbraw/zinc/33/92/30/173339230.db2.gz GXDVNVORBMOYBC-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227411792 173339799 /nfs/dbraw/zinc/33/97/99/173339799.db2.gz JMJFHXRVRXOZCI-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946081 173339928 /nfs/dbraw/zinc/33/99/28/173339928.db2.gz XOPLNQOFXSXKML-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000043604480 173340718 /nfs/dbraw/zinc/34/07/18/173340718.db2.gz TWIAOLMAGXUVPE-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357240792 173341245 /nfs/dbraw/zinc/34/12/45/173341245.db2.gz KGAGLZQTBHDASP-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000336710541 173347123 /nfs/dbraw/zinc/34/71/23/173347123.db2.gz RTKKUVCROIIWKJ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000336710541 173347125 /nfs/dbraw/zinc/34/71/25/173347125.db2.gz RTKKUVCROIIWKJ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092134488 173362372 /nfs/dbraw/zinc/36/23/72/173362372.db2.gz JXKAFVKRFKGZIE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000261582709 173362839 /nfs/dbraw/zinc/36/28/39/173362839.db2.gz OOHADVJDQSCZAD-SECBINFHSA-N 2 1 224.308 0.163 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000071146041 173370610 /nfs/dbraw/zinc/37/06/10/173370610.db2.gz CFCHIHOXWBEOGL-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000071146041 173370611 /nfs/dbraw/zinc/37/06/11/173370611.db2.gz CFCHIHOXWBEOGL-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[N@@H+](C)C(C)C ZINC000375070385 173371893 /nfs/dbraw/zinc/37/18/93/173371893.db2.gz HAXCBJBRTPQENI-QWRGUYRKSA-N 2 1 245.342 0.485 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC000269234673 173374063 /nfs/dbraw/zinc/37/40/63/173374063.db2.gz MCLXOSLFRDBMMM-JTQLQIEISA-N 2 1 238.335 0.553 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092133861 173374232 /nfs/dbraw/zinc/37/42/32/173374232.db2.gz VUXIEMUGYLVDPV-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394646 173374235 /nfs/dbraw/zinc/37/42/35/173374235.db2.gz MDPIFUYNFITDKD-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336724991 174073268 /nfs/dbraw/zinc/07/32/68/174073268.db2.gz BMJUYJLRXVGQAI-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336724991 174073270 /nfs/dbraw/zinc/07/32/70/174073270.db2.gz BMJUYJLRXVGQAI-GFCCVEGCSA-N 2 1 230.352 0.315 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000061380608 174277824 /nfs/dbraw/zinc/27/78/24/174277824.db2.gz YCAMHBSBYNEQIM-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP COCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919128 174279790 /nfs/dbraw/zinc/27/97/90/174279790.db2.gz IVPRIAUMLJSPHS-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP COCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371292671 174311743 /nfs/dbraw/zinc/31/17/43/174311743.db2.gz CUSVERRKUJRFTO-RWMBFGLXSA-N 2 1 242.363 0.816 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](CC)CC1 ZINC000383489543 487630291 /nfs/dbraw/zinc/63/02/91/487630291.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](CC)CC1 ZINC000383489543 487630282 /nfs/dbraw/zinc/63/02/82/487630282.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CCC[N@H+](CC)CC1 ZINC000383489543 487630285 /nfs/dbraw/zinc/63/02/85/487630285.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[NH3+] ZINC000369114397 175355444 /nfs/dbraw/zinc/35/54/44/175355444.db2.gz BOQGWUIYWJHSJP-LLVKDONJSA-N 2 1 249.314 0.127 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502753 487631525 /nfs/dbraw/zinc/63/15/25/487631525.db2.gz FNXPCZYVQXSRED-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502753 487631529 /nfs/dbraw/zinc/63/15/29/487631529.db2.gz FNXPCZYVQXSRED-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502753 487631535 /nfs/dbraw/zinc/63/15/35/487631535.db2.gz FNXPCZYVQXSRED-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502753 487631542 /nfs/dbraw/zinc/63/15/42/487631542.db2.gz FNXPCZYVQXSRED-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336286713 175793636 /nfs/dbraw/zinc/79/36/36/175793636.db2.gz JCZBBWRZUGMKOQ-PSASIEDQSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH3+] ZINC000237400378 176100281 /nfs/dbraw/zinc/10/02/81/176100281.db2.gz VUBDXQQKTXDVAS-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000237565993 176102990 /nfs/dbraw/zinc/10/29/90/176102990.db2.gz VBQKYYZICIBDFB-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336756677 176150695 /nfs/dbraw/zinc/15/06/95/176150695.db2.gz JNNYRFLIJIXZKG-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336756677 176150697 /nfs/dbraw/zinc/15/06/97/176150697.db2.gz JNNYRFLIJIXZKG-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000053298726 176168208 /nfs/dbraw/zinc/16/82/08/176168208.db2.gz AFJFGZVCJUBPJI-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332634734 176185391 /nfs/dbraw/zinc/18/53/91/176185391.db2.gz ZZPVZSQWFMLWNN-CDMKHQONSA-N 2 1 234.347 0.855 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000352780016 176254851 /nfs/dbraw/zinc/25/48/51/176254851.db2.gz NOKOBPCFXUYQQI-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000352780016 176254853 /nfs/dbraw/zinc/25/48/53/176254853.db2.gz NOKOBPCFXUYQQI-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000352780016 176254855 /nfs/dbraw/zinc/25/48/55/176254855.db2.gz NOKOBPCFXUYQQI-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000352780016 176254857 /nfs/dbraw/zinc/25/48/57/176254857.db2.gz NOKOBPCFXUYQQI-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000226402779 176266747 /nfs/dbraw/zinc/26/67/47/176266747.db2.gz FBPZYWDOBFNSGN-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000226402779 176266748 /nfs/dbraw/zinc/26/67/48/176266748.db2.gz FBPZYWDOBFNSGN-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060390 176269878 /nfs/dbraw/zinc/26/98/78/176269878.db2.gz ODUQRIHSUKHRRV-YPMHNXCESA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000358113497 176270414 /nfs/dbraw/zinc/27/04/14/176270414.db2.gz SSWBFNVSIVCQBE-IJLUTSLNSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000358113497 176270415 /nfs/dbraw/zinc/27/04/15/176270415.db2.gz SSWBFNVSIVCQBE-IJLUTSLNSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060385 176270739 /nfs/dbraw/zinc/27/07/39/176270739.db2.gz ODUQRIHSUKHRRV-DGCLKSJQSA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000335605725 176272688 /nfs/dbraw/zinc/27/26/88/176272688.db2.gz GBXZXONWRDBNPX-PWSUYJOCSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390424 176275756 /nfs/dbraw/zinc/27/57/56/176275756.db2.gz SMNAERXXTSQEFF-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747274 176280787 /nfs/dbraw/zinc/28/07/87/176280787.db2.gz DQQJYCPQHCJWNC-KOLCDFICSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000127617663 176286051 /nfs/dbraw/zinc/28/60/51/176286051.db2.gz JYEJKDLJDFXJEV-PWSUYJOCSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771427 176286089 /nfs/dbraw/zinc/28/60/89/176286089.db2.gz KNVPLRFXWKCQTQ-ZYHUDNBSSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000108357030 176294095 /nfs/dbraw/zinc/29/40/95/176294095.db2.gz GEIDDZKMQLSEPV-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000108357030 176294097 /nfs/dbraw/zinc/29/40/97/176294097.db2.gz GEIDDZKMQLSEPV-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251683623 176296387 /nfs/dbraw/zinc/29/63/87/176296387.db2.gz HYGBVRCOYQCZPR-GHMZBOCLSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251644124 176304397 /nfs/dbraw/zinc/30/43/97/176304397.db2.gz GBDRFWRQPOOMLW-ZWNOBZJWSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251644124 176304398 /nfs/dbraw/zinc/30/43/98/176304398.db2.gz GBDRFWRQPOOMLW-ZWNOBZJWSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546512 176322612 /nfs/dbraw/zinc/32/26/12/176322612.db2.gz QRVWWBVCEYQBPX-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459697 176322865 /nfs/dbraw/zinc/32/28/65/176322865.db2.gz SSHLECNLALBECW-UTUOFQBUSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309817447 176341283 /nfs/dbraw/zinc/34/12/83/176341283.db2.gz VPBGXECSIYZNEP-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309817447 176341284 /nfs/dbraw/zinc/34/12/84/176341284.db2.gz VPBGXECSIYZNEP-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336749039 176352897 /nfs/dbraw/zinc/35/28/97/176352897.db2.gz TXRMRKDJFFLAEZ-JLLWLGSASA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336749039 176352898 /nfs/dbraw/zinc/35/28/98/176352898.db2.gz TXRMRKDJFFLAEZ-JLLWLGSASA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CCn2cncn2)CC[N@@H+]1C ZINC000336688276 176371470 /nfs/dbraw/zinc/37/14/70/176371470.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 1 237.351 0.693 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CCn2cncn2)CC[N@H+]1C ZINC000336688276 176371472 /nfs/dbraw/zinc/37/14/72/176371472.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 1 237.351 0.693 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000237566204 176372849 /nfs/dbraw/zinc/37/28/49/176372849.db2.gz WHZSDBVROJKIBV-RKDXNWHRSA-N 2 1 223.320 0.219 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370785952 176758982 /nfs/dbraw/zinc/75/89/82/176758982.db2.gz GYXQOJUKGHBONQ-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000020179810 177075555 /nfs/dbraw/zinc/07/55/55/177075555.db2.gz SFQFJXUIDNYQCH-LBPRGKRZSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000053298729 177158991 /nfs/dbraw/zinc/15/89/91/177158991.db2.gz AFJFGZVCJUBPJI-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454404 177234305 /nfs/dbraw/zinc/23/43/05/177234305.db2.gz MVUQLVSUUUOUAV-QWRGUYRKSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCC[NH+](C)C ZINC000362763801 177237482 /nfs/dbraw/zinc/23/74/82/177237482.db2.gz WJGQIBDCPFYIMW-NWDGAFQWSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC(C)(C)C ZINC000122301373 177323793 /nfs/dbraw/zinc/32/37/93/177323793.db2.gz JJCLQBFMQPVZNM-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC(C)(C)C ZINC000122301373 177323795 /nfs/dbraw/zinc/32/37/95/177323795.db2.gz JJCLQBFMQPVZNM-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCC1 ZINC000126970459 177361273 /nfs/dbraw/zinc/36/12/73/177361273.db2.gz ILFXCGQEXMTQMK-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCCC1 ZINC000126970459 177361274 /nfs/dbraw/zinc/36/12/74/177361274.db2.gz ILFXCGQEXMTQMK-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC(C)(C)C ZINC000122300971 177361276 /nfs/dbraw/zinc/36/12/76/177361276.db2.gz JJCLQBFMQPVZNM-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC(C)(C)C ZINC000122300971 177361277 /nfs/dbraw/zinc/36/12/77/177361277.db2.gz JJCLQBFMQPVZNM-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000132923247 177367184 /nfs/dbraw/zinc/36/71/84/177367184.db2.gz GWTDEJXCYCNVQR-DTWKUNHWSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000094647346 177395780 /nfs/dbraw/zinc/39/57/80/177395780.db2.gz RYJLOFNCVMQKGF-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566486 487640211 /nfs/dbraw/zinc/64/02/11/487640211.db2.gz BFEGSOKYICAOMD-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566486 487640215 /nfs/dbraw/zinc/64/02/15/487640215.db2.gz BFEGSOKYICAOMD-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566486 487640219 /nfs/dbraw/zinc/64/02/19/487640219.db2.gz BFEGSOKYICAOMD-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566486 487640223 /nfs/dbraw/zinc/64/02/23/487640223.db2.gz BFEGSOKYICAOMD-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014115 487644084 /nfs/dbraw/zinc/64/40/84/487644084.db2.gz GVSGZDGDCZISDY-IJLUTSLNSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014115 487644089 /nfs/dbraw/zinc/64/40/89/487644089.db2.gz GVSGZDGDCZISDY-IJLUTSLNSA-N 2 1 211.353 0.940 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000383598912 487644720 /nfs/dbraw/zinc/64/47/20/487644720.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000383598912 487644725 /nfs/dbraw/zinc/64/47/25/487644725.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000383598912 487644726 /nfs/dbraw/zinc/64/47/26/487644726.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP O=C(C=Cc1c[nH]cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000492899385 226078533 /nfs/dbraw/zinc/07/85/33/226078533.db2.gz MDJVKTXBUHCGCX-VSQXVHSFSA-N 2 1 246.314 0.730 20 0 BCADMP O=C(/C=C\c1ncc[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000493485846 226229502 /nfs/dbraw/zinc/22/95/02/226229502.db2.gz CJSSKCLALDQUPW-DLRQAJBASA-N 2 1 246.314 0.730 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000400405701 226342724 /nfs/dbraw/zinc/34/27/24/226342724.db2.gz RRXXLKHXHBZRHQ-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457215 226343899 /nfs/dbraw/zinc/34/38/99/226343899.db2.gz QFHYMGFGWPJTMD-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@H]1CCC[NH2+]1 ZINC000400508765 226345458 /nfs/dbraw/zinc/34/54/58/226345458.db2.gz KUHLFMOZTBGBTR-LNFKQOIKSA-N 2 1 212.337 0.876 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000680826450 487653542 /nfs/dbraw/zinc/65/35/42/487653542.db2.gz PPIKKLVATCLMST-LBPRGKRZSA-N 2 1 239.363 0.705 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC000383752634 487670483 /nfs/dbraw/zinc/67/04/83/487670483.db2.gz ZVZYEXVVQILZFR-STQMWFEESA-N 2 1 234.347 0.944 20 0 BCADMP NC(=[NH2+])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000038173768 487673172 /nfs/dbraw/zinc/67/31/72/487673172.db2.gz QPFFCQFVLYWCRU-LLVKDONJSA-N 2 1 218.304 0.744 20 0 BCADMP NC(=[NH2+])NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000038173768 487673176 /nfs/dbraw/zinc/67/31/76/487673176.db2.gz QPFFCQFVLYWCRU-LLVKDONJSA-N 2 1 218.304 0.744 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673211 /nfs/dbraw/zinc/67/32/11/487673211.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673212 /nfs/dbraw/zinc/67/32/12/487673212.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673215 /nfs/dbraw/zinc/67/32/15/487673215.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673216 /nfs/dbraw/zinc/67/32/16/487673216.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036189996 487683969 /nfs/dbraw/zinc/68/39/69/487683969.db2.gz FRRADNXDVWWZBY-LLVKDONJSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000393784494 487688045 /nfs/dbraw/zinc/68/80/45/487688045.db2.gz WMSGTEOKSCVNIQ-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000393784494 487688049 /nfs/dbraw/zinc/68/80/49/487688049.db2.gz WMSGTEOKSCVNIQ-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000399169985 262777720 /nfs/dbraw/zinc/77/77/20/262777720.db2.gz IACUWZSMJPLXCR-CMPLNLGQSA-N 2 1 237.347 0.467 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCF)C1 ZINC000088026342 487698946 /nfs/dbraw/zinc/69/89/46/487698946.db2.gz SZUIUDFKMBVJGQ-JTQLQIEISA-N 2 1 231.315 0.133 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403063 487704547 /nfs/dbraw/zinc/70/45/47/487704547.db2.gz HFRPKSRLMIJVLT-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000336691309 487718549 /nfs/dbraw/zinc/71/85/49/487718549.db2.gz PSSNNNYIHWDHMV-WDEREUQCSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000336691306 487718638 /nfs/dbraw/zinc/71/86/38/487718638.db2.gz PSSNNNYIHWDHMV-GHMZBOCLSA-N 2 1 200.326 0.961 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000669406692 487726008 /nfs/dbraw/zinc/72/60/08/487726008.db2.gz UOIGGHORXWWJAX-QWRGUYRKSA-N 2 1 242.367 0.365 20 0 BCADMP CC[N@@H+](CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000226398145 487731213 /nfs/dbraw/zinc/73/12/13/487731213.db2.gz CDVDIEBZUIVKKK-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP CN(C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250428973 487732271 /nfs/dbraw/zinc/73/22/71/487732271.db2.gz QRRVDIPLRQEWPH-QWHCGFSZSA-N 2 1 239.363 0.143 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000250680147 487739273 /nfs/dbraw/zinc/73/92/73/487739273.db2.gz XXXZBBWWRRQJPX-QJPTWQEYSA-N 2 1 237.347 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CCO ZINC000042409296 487741002 /nfs/dbraw/zinc/74/10/02/487741002.db2.gz DMGKVQNLSYFSQX-LLVKDONJSA-N 2 1 200.326 0.833 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438293 487747336 /nfs/dbraw/zinc/74/73/36/487747336.db2.gz VJDFQPGMRPFVAZ-GHMZBOCLSA-N 2 1 225.336 0.054 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCCO ZINC000384874173 487752399 /nfs/dbraw/zinc/75/23/99/487752399.db2.gz YDZQZJQVQGQVJB-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCCO ZINC000384874173 487752401 /nfs/dbraw/zinc/75/24/01/487752401.db2.gz YDZQZJQVQGQVJB-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCCO ZINC000384874173 487752406 /nfs/dbraw/zinc/75/24/06/487752406.db2.gz YDZQZJQVQGQVJB-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCCO ZINC000384874173 487752408 /nfs/dbraw/zinc/75/24/08/487752408.db2.gz YDZQZJQVQGQVJB-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921702 487753806 /nfs/dbraw/zinc/75/38/06/487753806.db2.gz ZXVOSGSZCRKSAJ-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP Cn1cc(C[N@@H+](C)CC2CC[NH2+]CC2)nn1 ZINC000234287446 487793150 /nfs/dbraw/zinc/79/31/50/487793150.db2.gz XKWOTRIUMUMIQN-UHFFFAOYSA-N 2 1 223.324 0.247 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251743876 487794849 /nfs/dbraw/zinc/79/48/49/487794849.db2.gz KZROJHIKYJKHND-ZYHUDNBSSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251743876 487794855 /nfs/dbraw/zinc/79/48/55/487794855.db2.gz KZROJHIKYJKHND-ZYHUDNBSSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]1C[N@@H+](CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748089 487795545 /nfs/dbraw/zinc/79/55/45/487795545.db2.gz LFIGQKAEVHRCRO-VHSXEESVSA-N 2 1 200.326 0.817 20 0 BCADMP C[N@@H+](CCO)C1CCN([C@@H]2CCCOC2)CC1 ZINC000674300896 487796453 /nfs/dbraw/zinc/79/64/53/487796453.db2.gz IHUKVJPFWFIHJQ-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@H+](CCO)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674300896 487796460 /nfs/dbraw/zinc/79/64/60/487796460.db2.gz IHUKVJPFWFIHJQ-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CCO)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674300896 487796464 /nfs/dbraw/zinc/79/64/64/487796464.db2.gz IHUKVJPFWFIHJQ-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP CCC[N@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000309278740 487812595 /nfs/dbraw/zinc/81/25/95/487812595.db2.gz SRGUWLRPBCZKOR-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000309278740 487812600 /nfs/dbraw/zinc/81/26/00/487812600.db2.gz SRGUWLRPBCZKOR-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309278740 487812606 /nfs/dbraw/zinc/81/26/06/487812606.db2.gz SRGUWLRPBCZKOR-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309278740 487812609 /nfs/dbraw/zinc/81/26/09/487812609.db2.gz SRGUWLRPBCZKOR-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252601992 487827124 /nfs/dbraw/zinc/82/71/24/487827124.db2.gz MSELVWXEVJKPTG-AXFHLTTASA-N 2 1 225.336 0.052 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000252610433 487827524 /nfs/dbraw/zinc/82/75/24/487827524.db2.gz URTTUQPFZWOWER-QJPTWQEYSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043753 588449258 /nfs/dbraw/zinc/44/92/58/588449258.db2.gz TZSUHOJFISOULF-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666620267 487846385 /nfs/dbraw/zinc/84/63/85/487846385.db2.gz ZSGKUCXYTFNMJE-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCNC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666627476 487847891 /nfs/dbraw/zinc/84/78/91/487847891.db2.gz FCMDHEUMUCIPEZ-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000666627544 487848357 /nfs/dbraw/zinc/84/83/57/487848357.db2.gz ATDONKSHOXSSBJ-JTQLQIEISA-N 2 1 208.309 0.938 20 0 BCADMP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH+](C)C ZINC000085545129 487874323 /nfs/dbraw/zinc/87/43/23/487874323.db2.gz KWGUMVWOCRICCH-ZETCQYMHSA-N 2 1 242.348 0.282 20 0 BCADMP C[N@H+](CCOCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000307261978 487877588 /nfs/dbraw/zinc/87/75/88/487877588.db2.gz VVKRMWIGEJXQFE-ZDUSSCGKSA-N 2 1 238.331 0.455 20 0 BCADMP C[N@@H+](CCOCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000307261978 487877594 /nfs/dbraw/zinc/87/75/94/487877594.db2.gz VVKRMWIGEJXQFE-ZDUSSCGKSA-N 2 1 238.331 0.455 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235223341 487884433 /nfs/dbraw/zinc/88/44/33/487884433.db2.gz LOSDDKYUQRBPMB-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@H](C)[NH3+])C1CC1 ZINC000669444474 487888845 /nfs/dbraw/zinc/88/88/45/487888845.db2.gz QXPXVUAOXDWXAK-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403818397 487891666 /nfs/dbraw/zinc/89/16/66/487891666.db2.gz MOOZXJKEYPMKIK-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H]([NH3+])CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000669462780 487909422 /nfs/dbraw/zinc/90/94/22/487909422.db2.gz FQKHNRIEGSQXEY-IUCAKERBSA-N 2 1 228.340 0.116 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C)C1 ZINC000652335869 487924916 /nfs/dbraw/zinc/92/49/16/487924916.db2.gz MXKXLARGEDZUMG-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP COCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361402 487931775 /nfs/dbraw/zinc/93/17/75/487931775.db2.gz GNSAYYXQMDCZTH-YNEHKIRRSA-N 2 1 242.363 0.994 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364273 487933953 /nfs/dbraw/zinc/93/39/53/487933953.db2.gz CHWFBXTZCHZGCP-UWVGGRQHSA-N 2 1 234.290 0.688 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055089307 487934846 /nfs/dbraw/zinc/93/48/46/487934846.db2.gz JJASWJRYSCMDFX-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364468 487934405 /nfs/dbraw/zinc/93/44/05/487934405.db2.gz RMSZYVJGZZYIJG-VIFPVBQESA-N 2 1 220.263 0.693 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474602 487937556 /nfs/dbraw/zinc/93/75/56/487937556.db2.gz ICEMYSMQWJPPKY-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000188755726 487949143 /nfs/dbraw/zinc/94/91/43/487949143.db2.gz HAJMOXKXSIOVEZ-ATZCPNFKSA-N 2 1 243.326 0.285 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(O)cc2)C1 ZINC000682407116 487950734 /nfs/dbraw/zinc/95/07/34/487950734.db2.gz XTKHSAVGJALDMO-CYBMUJFWSA-N 2 1 236.315 0.548 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(O)cc2)C1 ZINC000682407116 487950737 /nfs/dbraw/zinc/95/07/37/487950737.db2.gz XTKHSAVGJALDMO-CYBMUJFWSA-N 2 1 236.315 0.548 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000041680231 322836352 /nfs/dbraw/zinc/83/63/52/322836352.db2.gz HAUJXWCNIUWRCK-JTQLQIEISA-N 2 1 245.392 0.449 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000566405038 322992795 /nfs/dbraw/zinc/99/27/95/322992795.db2.gz UEJSOCHXQURIGC-VIFPVBQESA-N 2 1 249.305 0.476 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC000561767475 323006625 /nfs/dbraw/zinc/00/66/25/323006625.db2.gz WVHYGNPPUFHBFF-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC000561767475 323006626 /nfs/dbraw/zinc/00/66/26/323006626.db2.gz WVHYGNPPUFHBFF-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489218 323021199 /nfs/dbraw/zinc/02/11/99/323021199.db2.gz YFHPTMYRXFFLMR-WOPDTQHZSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOC[C@H]1CCCO1 ZINC000569821411 323041718 /nfs/dbraw/zinc/04/17/18/323041718.db2.gz FHRCZWWRHWTZOV-JHJVBQTASA-N 2 1 242.363 0.994 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000569817760 323041727 /nfs/dbraw/zinc/04/17/27/323041727.db2.gz YACXIUPNAGPLIC-GHMZBOCLSA-N 2 1 230.377 0.802 20 0 BCADMP C[NH2+]CCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000569817760 323041728 /nfs/dbraw/zinc/04/17/28/323041728.db2.gz YACXIUPNAGPLIC-GHMZBOCLSA-N 2 1 230.377 0.802 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000569821412 323041806 /nfs/dbraw/zinc/04/18/06/323041806.db2.gz FHRCZWWRHWTZOV-UPJWGTAASA-N 2 1 242.363 0.994 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000569859906 323043294 /nfs/dbraw/zinc/04/32/94/323043294.db2.gz FASIHQNXNFAEKE-SFYZADRCSA-N 2 1 235.278 0.085 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000570088540 323049497 /nfs/dbraw/zinc/04/94/97/323049497.db2.gz GJZCLELUUQXCIF-CHWSQXEVSA-N 2 1 242.363 0.866 20 0 BCADMP CN(CC[NH3+])C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000570161298 323051513 /nfs/dbraw/zinc/05/15/13/323051513.db2.gz IAZAAGBBWIOPJJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(C)(C)C ZINC000570169196 323051821 /nfs/dbraw/zinc/05/18/21/323051821.db2.gz OUNWEGYZSATYIF-NSHDSACASA-N 2 1 202.342 0.935 20 0 BCADMP CSC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000570323542 323056113 /nfs/dbraw/zinc/05/61/13/323056113.db2.gz WAJULOUTLDTDOV-JTQLQIEISA-N 2 1 229.349 0.505 20 0 BCADMP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570334766 323056354 /nfs/dbraw/zinc/05/63/54/323056354.db2.gz MWCHFRIWIQBTCT-JFGNBEQYSA-N 2 1 237.347 0.419 20 0 BCADMP C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570461390 323060437 /nfs/dbraw/zinc/06/04/37/323060437.db2.gz BYAGHARTBJJCHT-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570461390 323060438 /nfs/dbraw/zinc/06/04/38/323060438.db2.gz BYAGHARTBJJCHT-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N(C)Cc1cnc[nH]1 ZINC000570698330 323067676 /nfs/dbraw/zinc/06/76/76/323067676.db2.gz FNCKRTVSYOEIRG-MRVPVSSYSA-N 2 1 225.296 0.288 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[NH2+]CC2CC2)C1 ZINC000570725288 323068674 /nfs/dbraw/zinc/06/86/74/323068674.db2.gz RQUWZJFURIDPJT-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000570720940 323068730 /nfs/dbraw/zinc/06/87/30/323068730.db2.gz PTJHVCZYQCCSQN-RWMBFGLXSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CC(C)C1 ZINC000518792855 323085464 /nfs/dbraw/zinc/08/54/64/323085464.db2.gz VGLHKQMMVBUDMC-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CC(C)C1 ZINC000518792855 323085465 /nfs/dbraw/zinc/08/54/65/323085465.db2.gz VGLHKQMMVBUDMC-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000567814856 323087434 /nfs/dbraw/zinc/08/74/34/323087434.db2.gz GLEJUOQFWKUOGI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](Cc1nc(C[NH3+])no1)[C@@H]1CCC[NH2+]C1 ZINC000563118337 323093705 /nfs/dbraw/zinc/09/37/05/323093705.db2.gz BSVSSYOWSRFQPH-DTWKUNHWSA-N 2 1 224.308 0.707 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000563215646 323102985 /nfs/dbraw/zinc/10/29/85/323102985.db2.gz ULMQLZZQIWXMRY-STQMWFEESA-N 2 1 249.362 0.600 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563338780 323119091 /nfs/dbraw/zinc/11/90/91/323119091.db2.gz OLXACIRAVZCCMW-VIFPVBQESA-N 2 1 249.305 0.619 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH2+]C ZINC000563595437 323131265 /nfs/dbraw/zinc/13/12/65/323131265.db2.gz IWIURWDYACMHHT-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[N@@H+](CCOC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000563622586 323132052 /nfs/dbraw/zinc/13/20/52/323132052.db2.gz JZGBFBWYLVWRQH-CYBMUJFWSA-N 2 1 242.363 0.866 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635887 323132807 /nfs/dbraw/zinc/13/28/07/323132807.db2.gz MCLLDIDUOPKOKU-RYUDHWBXSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000571401020 323143563 /nfs/dbraw/zinc/14/35/63/323143563.db2.gz LYEAYKJHZHAFSZ-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000563813231 323178840 /nfs/dbraw/zinc/17/88/40/323178840.db2.gz AGVRNAYILYPUCM-STQMWFEESA-N 2 1 249.362 0.742 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C[N@H+]1C ZINC000535824948 323192527 /nfs/dbraw/zinc/19/25/27/323192527.db2.gz RCCSDGMZGLJANH-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH+]1C ZINC000535824948 323192528 /nfs/dbraw/zinc/19/25/28/323192528.db2.gz RCCSDGMZGLJANH-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH+]1C ZINC000535824948 323192529 /nfs/dbraw/zinc/19/25/29/323192529.db2.gz RCCSDGMZGLJANH-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399250359 323201820 /nfs/dbraw/zinc/20/18/20/323201820.db2.gz XNFAGIOIFWAUOR-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP Cn1cc([C@@H]2C[N@H+](CC3(C)CC3)C[C@H]2N)cn1 ZINC000563951747 323332308 /nfs/dbraw/zinc/33/23/08/323332308.db2.gz NCYNHXPXVQRPHY-NWDGAFQWSA-N 2 1 234.347 0.947 20 0 BCADMP Cn1cc([C@@H]2C[N@@H+](CC3(C)CC3)C[C@H]2N)cn1 ZINC000563951747 323332314 /nfs/dbraw/zinc/33/23/14/323332314.db2.gz NCYNHXPXVQRPHY-NWDGAFQWSA-N 2 1 234.347 0.947 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC(F)(F)CN)CC[N@H+]1C ZINC000563968689 323335515 /nfs/dbraw/zinc/33/55/15/323335515.db2.gz NLUBNVULLMMQND-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000563968689 323335522 /nfs/dbraw/zinc/33/55/22/323335522.db2.gz NLUBNVULLMMQND-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000309385416 323365506 /nfs/dbraw/zinc/36/55/06/323365506.db2.gz DYRNIHRUCHXDMV-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000309385416 323365509 /nfs/dbraw/zinc/36/55/09/323365509.db2.gz DYRNIHRUCHXDMV-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000165348124 487959606 /nfs/dbraw/zinc/95/96/06/487959606.db2.gz HRQKSDOHEWQJQU-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)CC(F)(F)C[NH3+] ZINC000572492642 324131081 /nfs/dbraw/zinc/13/10/81/324131081.db2.gz LFEMNZKUWNMOET-UHFFFAOYSA-N 2 1 237.294 0.427 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023903 324223190 /nfs/dbraw/zinc/22/31/90/324223190.db2.gz MBDZZULCUKOODP-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000529492717 324315014 /nfs/dbraw/zinc/31/50/14/324315014.db2.gz PKVIHHOQWPBZFK-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000529492717 324315022 /nfs/dbraw/zinc/31/50/22/324315022.db2.gz PKVIHHOQWPBZFK-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213557 324528769 /nfs/dbraw/zinc/52/87/69/324528769.db2.gz AEORXKDVHWZUEH-NWDGAFQWSA-N 2 1 249.362 0.931 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000158550910 487965848 /nfs/dbraw/zinc/96/58/48/487965848.db2.gz NHOBNWLZICSKHF-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1C ZINC000130549813 325065520 /nfs/dbraw/zinc/06/55/20/325065520.db2.gz YWMCKKJIAKUCBE-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP C[NH+](C)CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000545284749 325207478 /nfs/dbraw/zinc/20/74/78/325207478.db2.gz ZNIZMAZZVMJDSZ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000545873149 325240915 /nfs/dbraw/zinc/24/09/15/325240915.db2.gz JYLHPJMCXONRNL-VHSXEESVSA-N 2 1 248.330 0.497 20 0 BCADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1C ZINC000545873149 325240919 /nfs/dbraw/zinc/24/09/19/325240919.db2.gz JYLHPJMCXONRNL-VHSXEESVSA-N 2 1 248.330 0.497 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC000400062468 487969805 /nfs/dbraw/zinc/96/98/05/487969805.db2.gz BKQRLEYYLANQKT-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000400062468 487969809 /nfs/dbraw/zinc/96/98/09/487969809.db2.gz BKQRLEYYLANQKT-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000400062468 487969813 /nfs/dbraw/zinc/96/98/13/487969813.db2.gz BKQRLEYYLANQKT-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@H]1O ZINC000400062468 487969817 /nfs/dbraw/zinc/96/98/17/487969817.db2.gz BKQRLEYYLANQKT-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190352 326009371 /nfs/dbraw/zinc/00/93/71/326009371.db2.gz TYRLZXOOZXCAMB-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000566216016 326016574 /nfs/dbraw/zinc/01/65/74/326016574.db2.gz INZSWXZFVUSHOO-AAEUAGOBSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@@H+](CCOC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000566245621 326022426 /nfs/dbraw/zinc/02/24/26/326022426.db2.gz YNQGJYNJIIDTEY-HTAVTVPLSA-N 2 1 228.336 0.604 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000566302738 326031253 /nfs/dbraw/zinc/03/12/53/326031253.db2.gz QQEMBHKHXQPLBE-SNVBAGLBSA-N 2 1 208.309 0.938 20 0 BCADMP C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@H]1[NH3+] ZINC000566404934 326040046 /nfs/dbraw/zinc/04/00/46/326040046.db2.gz RVRBIYYADUXTOH-JGVFFNPUSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@@H]1[NH3+] ZINC000566404935 326040150 /nfs/dbraw/zinc/04/01/50/326040150.db2.gz RVRBIYYADUXTOH-SFYZADRCSA-N 2 1 235.278 0.166 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000566405116 326040217 /nfs/dbraw/zinc/04/02/17/326040217.db2.gz VORUSMIUYZDBLQ-QMMMGPOBSA-N 2 1 235.278 0.086 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000566716910 326076301 /nfs/dbraw/zinc/07/63/01/326076301.db2.gz PZHVXPAGQQSXCB-CHWSQXEVSA-N 2 1 243.395 0.183 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000567159323 326125658 /nfs/dbraw/zinc/12/56/58/326125658.db2.gz GBPQUCCNUZKTFK-CHWSQXEVSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000309823352 326170103 /nfs/dbraw/zinc/17/01/03/326170103.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000309823352 326170105 /nfs/dbraw/zinc/17/01/05/326170105.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000309823352 326170109 /nfs/dbraw/zinc/17/01/09/326170109.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309823352 326170110 /nfs/dbraw/zinc/17/01/10/326170110.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309823352 326170113 /nfs/dbraw/zinc/17/01/13/326170113.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354091 326172682 /nfs/dbraw/zinc/17/26/82/326172682.db2.gz XAQWVDNWXXWZMI-WYUUTHIRSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000567811711 326261457 /nfs/dbraw/zinc/26/14/57/326261457.db2.gz AZPLPOHBHYXZFP-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1cnccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339032 326263465 /nfs/dbraw/zinc/26/34/65/326263465.db2.gz DWSJMYIYDGJODW-CYBMUJFWSA-N 2 1 235.331 0.940 20 0 BCADMP Cc1cnccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339032 326263466 /nfs/dbraw/zinc/26/34/66/326263466.db2.gz DWSJMYIYDGJODW-CYBMUJFWSA-N 2 1 235.331 0.940 20 0 BCADMP C[C@]1(CNC(=O)CC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000568152854 326314264 /nfs/dbraw/zinc/31/42/64/326314264.db2.gz NIRQSIZLPVPBTR-JTQLQIEISA-N 2 1 249.305 0.476 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)[NH+](C)C ZINC000158276418 326314721 /nfs/dbraw/zinc/31/47/21/326314721.db2.gz FVUQJBHQWRSMFF-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH2+]CCCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000568381411 326351482 /nfs/dbraw/zinc/35/14/82/326351482.db2.gz JQXZRJDUXPJRGX-OLZOCXBDSA-N 2 1 243.395 0.731 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000568747937 326374775 /nfs/dbraw/zinc/37/47/75/326374775.db2.gz UUQIXSQNGMXOLW-CIUDSAMLSA-N 2 1 247.289 0.050 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000568866169 326378781 /nfs/dbraw/zinc/37/87/81/326378781.db2.gz FHDHLIKZHZAQQD-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000568866169 326378783 /nfs/dbraw/zinc/37/87/83/326378783.db2.gz FHDHLIKZHZAQQD-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568867437 326380270 /nfs/dbraw/zinc/38/02/70/326380270.db2.gz XJVYLLPMMISUHI-KXUCPTDWSA-N 2 1 241.360 0.002 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396627622 487989450 /nfs/dbraw/zinc/98/94/50/487989450.db2.gz CKWZFCNEUXOYEZ-RYUDHWBXSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000677182364 487993079 /nfs/dbraw/zinc/99/30/79/487993079.db2.gz FYMNVDQEHAAIPN-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000677182364 487993086 /nfs/dbraw/zinc/99/30/86/487993086.db2.gz FYMNVDQEHAAIPN-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)CC[N@H+]1C ZINC000226831077 487999287 /nfs/dbraw/zinc/99/92/87/487999287.db2.gz PEAUOWBMRUJLTF-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308988260 488002015 /nfs/dbraw/zinc/00/20/15/488002015.db2.gz MUQCJQPLRZMTJW-GFCCVEGCSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CO ZINC000643475017 488015289 /nfs/dbraw/zinc/01/52/89/488015289.db2.gz OZCXQRWBAXDSQT-VHSXEESVSA-N 2 1 200.326 0.593 20 0 BCADMP CC[C@H]1C[N@@H+](CC(C)(C)O)CC[C@@H]1[NH3+] ZINC000147429283 488019586 /nfs/dbraw/zinc/01/95/86/488019586.db2.gz LFIGQKAEVHRCRO-UWVGGRQHSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@@H]1C(=O)NCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000401068710 488024956 /nfs/dbraw/zinc/02/49/56/488024956.db2.gz QWFFKXJGGIKLQW-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000401068710 488024961 /nfs/dbraw/zinc/02/49/61/488024961.db2.gz QWFFKXJGGIKLQW-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C(=O)NCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000401068711 488025338 /nfs/dbraw/zinc/02/53/38/488025338.db2.gz QWFFKXJGGIKLQW-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000401068711 488025344 /nfs/dbraw/zinc/02/53/44/488025344.db2.gz QWFFKXJGGIKLQW-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668638080 488037725 /nfs/dbraw/zinc/03/77/25/488037725.db2.gz AIZIIHCACVOALD-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000655449134 488037928 /nfs/dbraw/zinc/03/79/28/488037928.db2.gz LNRRDNVXKVAKGU-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000655449132 488038033 /nfs/dbraw/zinc/03/80/33/488038033.db2.gz LNRRDNVXKVAKGU-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663494720 488043892 /nfs/dbraw/zinc/04/38/92/488043892.db2.gz QRSYPXKXBCUNTR-LOWDOPEQSA-N 3 1 223.364 0.574 20 0 BCADMP C(N1CCC([C@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495294 488044982 /nfs/dbraw/zinc/04/49/82/488044982.db2.gz WWNWRZDCEUCRGP-SOUVJXGZSA-N 2 1 249.402 0.917 20 0 BCADMP C[C@]1(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CCC[NH2+]C1 ZINC000663499899 488048473 /nfs/dbraw/zinc/04/84/73/488048473.db2.gz WXLGVXIGSAFDSH-AGIUHOORSA-N 3 1 223.364 0.575 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000663510025 488055190 /nfs/dbraw/zinc/05/51/90/488055190.db2.gz NSVNYHZDVZQWFV-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538937 488071244 /nfs/dbraw/zinc/07/12/44/488071244.db2.gz LMFFNJCIYLMOSP-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148926 488078510 /nfs/dbraw/zinc/07/85/10/488078510.db2.gz IXNFCBDTORKHLA-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000257676761 488079182 /nfs/dbraw/zinc/07/91/82/488079182.db2.gz HWHUUSVFCGYSSE-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162726 488079868 /nfs/dbraw/zinc/07/98/68/488079868.db2.gz LXJNFFNWTYJUHP-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000257736219 488086736 /nfs/dbraw/zinc/08/67/36/488086736.db2.gz VZLWIEPEMPPYMQ-GFCCVEGCSA-N 2 1 239.363 0.668 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400393 488094561 /nfs/dbraw/zinc/09/45/61/488094561.db2.gz PLLCKDGOBGVMLV-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649396 488104657 /nfs/dbraw/zinc/10/46/57/488104657.db2.gz NOWMJNYJBNNQBP-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000389730811 488109755 /nfs/dbraw/zinc/10/97/55/488109755.db2.gz JQUFVOXHZGERBL-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579491 488122983 /nfs/dbraw/zinc/12/29/83/488122983.db2.gz PUQBFPLSUUPFIO-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000674263835 487538716 /nfs/dbraw/zinc/53/87/16/487538716.db2.gz PCMYYCNBNCVSCB-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094567244 487541962 /nfs/dbraw/zinc/54/19/62/487541962.db2.gz HDBVNCLSXOQDIG-VIFPVBQESA-N 2 1 237.303 0.420 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882405 487542203 /nfs/dbraw/zinc/54/22/03/487542203.db2.gz XFFAZMUCYDEWBM-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1noc(CCC[N@@H+](C)CC(C)(C)[NH3+])n1 ZINC000662294286 487542438 /nfs/dbraw/zinc/54/24/38/487542438.db2.gz KHSJUEPAQYPAII-UHFFFAOYSA-N 2 1 226.324 0.980 20 0 BCADMP Cc1noc(CCC[N@H+](C)CC(C)(C)[NH3+])n1 ZINC000662294286 487542441 /nfs/dbraw/zinc/54/24/41/487542441.db2.gz KHSJUEPAQYPAII-UHFFFAOYSA-N 2 1 226.324 0.980 20 0 BCADMP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000094570984 487543785 /nfs/dbraw/zinc/54/37/85/487543785.db2.gz QSJQXJPKBBXJIB-SECBINFHSA-N 2 1 249.314 0.705 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297039 487544104 /nfs/dbraw/zinc/54/41/04/487544104.db2.gz YIAJXGQXLJIFQT-NEPJUHHUSA-N 2 1 235.335 0.210 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088300 487548350 /nfs/dbraw/zinc/54/83/50/487548350.db2.gz NPWCKTFXRJJRBN-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258815724 488137229 /nfs/dbraw/zinc/13/72/29/488137229.db2.gz XLUKEQFNOSMTKE-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484596 487486412 /nfs/dbraw/zinc/48/64/12/487486412.db2.gz DADCJTVNAQCXIC-UWVGGRQHSA-N 2 1 202.342 0.920 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCCO)C1CC1 ZINC000380969282 487491976 /nfs/dbraw/zinc/49/19/76/487491976.db2.gz ACJPEBABLIAMPK-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCCO)C1CC1 ZINC000380969282 487491979 /nfs/dbraw/zinc/49/19/79/487491979.db2.gz ACJPEBABLIAMPK-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCCO)C1CC1 ZINC000380969282 487491983 /nfs/dbraw/zinc/49/19/83/487491983.db2.gz ACJPEBABLIAMPK-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCCO)C1CC1 ZINC000380969282 487491986 /nfs/dbraw/zinc/49/19/86/487491986.db2.gz ACJPEBABLIAMPK-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000086271215 487495176 /nfs/dbraw/zinc/49/51/76/487495176.db2.gz MSELVWXEVJKPTG-GARJFASQSA-N 2 1 225.336 0.052 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657973108 487496852 /nfs/dbraw/zinc/49/68/52/487496852.db2.gz BNVHLXJJEHUXAE-RYUDHWBXSA-N 2 1 240.347 0.354 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657973108 487496859 /nfs/dbraw/zinc/49/68/59/487496859.db2.gz BNVHLXJJEHUXAE-RYUDHWBXSA-N 2 1 240.347 0.354 20 0 BCADMP CCO[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435539 487506958 /nfs/dbraw/zinc/50/69/58/487506958.db2.gz JHPBZIDWLPDMCS-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000381172298 487501201 /nfs/dbraw/zinc/50/12/01/487501201.db2.gz UKNFUEUXGYSEJU-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000381172298 487501205 /nfs/dbraw/zinc/50/12/05/487501205.db2.gz UKNFUEUXGYSEJU-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000381172298 487501210 /nfs/dbraw/zinc/50/12/10/487501210.db2.gz UKNFUEUXGYSEJU-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC000381172298 487501213 /nfs/dbraw/zinc/50/12/13/487501213.db2.gz UKNFUEUXGYSEJU-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161651537 487507795 /nfs/dbraw/zinc/50/77/95/487507795.db2.gz KCOBAGYGJZXEGU-WDEREUQCSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420025 487575723 /nfs/dbraw/zinc/57/57/23/487575723.db2.gz VPJWXKPIRLZNCU-VHSXEESVSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420025 487575724 /nfs/dbraw/zinc/57/57/24/487575724.db2.gz VPJWXKPIRLZNCU-VHSXEESVSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669451473 487896717 /nfs/dbraw/zinc/89/67/17/487896717.db2.gz KXBMTGNGWLKLOI-MVIFTORASA-N 2 1 242.367 0.531 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379446568 488137289 /nfs/dbraw/zinc/13/72/89/488137289.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379446568 488137294 /nfs/dbraw/zinc/13/72/94/488137294.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H](C)C1 ZINC000379446568 488137298 /nfs/dbraw/zinc/13/72/98/488137298.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1C[NH2+]CCO1 ZINC000258991488 488145383 /nfs/dbraw/zinc/14/53/83/488145383.db2.gz VPAOGBOAOZFPGN-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230774587 488156713 /nfs/dbraw/zinc/15/67/13/488156713.db2.gz QCXZVPMLORCSNJ-NSHDSACASA-N 2 1 222.336 0.504 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccnn1C ZINC000230775540 488156742 /nfs/dbraw/zinc/15/67/42/488156742.db2.gz BOXPYVJGXXTONR-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000230774514 488156759 /nfs/dbraw/zinc/15/67/59/488156759.db2.gz XMIARCTWOMDDOW-SNVBAGLBSA-N 2 1 208.309 0.243 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccnn1C ZINC000230775482 488156794 /nfs/dbraw/zinc/15/67/94/488156794.db2.gz SDCQFIXMFUBVLV-QWRGUYRKSA-N 2 1 222.336 0.774 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775571 488156905 /nfs/dbraw/zinc/15/69/05/488156905.db2.gz FZHIHBBOYKWGGQ-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373111 488164773 /nfs/dbraw/zinc/16/47/73/488164773.db2.gz CDJWIPIFSPDBAK-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP CO[C@@H](C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104516 488173517 /nfs/dbraw/zinc/17/35/17/488173517.db2.gz QLCTZODBGXTOOJ-GXSJLCMTSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380104516 488173522 /nfs/dbraw/zinc/17/35/22/488173522.db2.gz QLCTZODBGXTOOJ-GXSJLCMTSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104516 488173526 /nfs/dbraw/zinc/17/35/26/488173526.db2.gz QLCTZODBGXTOOJ-GXSJLCMTSA-N 2 1 216.325 0.066 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000400966697 488178446 /nfs/dbraw/zinc/17/84/46/488178446.db2.gz HXCZVXRQOBGJIU-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP Cc1ncc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1C ZINC000668007727 488183091 /nfs/dbraw/zinc/18/30/91/488183091.db2.gz CLKSVYREUCXCCA-LLVKDONJSA-N 2 1 246.318 0.767 20 0 BCADMP Cc1ncc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000668012165 488184552 /nfs/dbraw/zinc/18/45/52/488184552.db2.gz UMQVWOFARKCNBW-JOYOIKCWSA-N 2 1 223.320 0.931 20 0 BCADMP C[NH2+]CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322409958 488185274 /nfs/dbraw/zinc/18/52/74/488185274.db2.gz YOUJNPSXOHJZSN-YOGCLGLASA-N 2 1 239.363 0.727 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609731 488188424 /nfs/dbraw/zinc/18/84/24/488188424.db2.gz LDGYRRLVVPXSAV-WDEREUQCSA-N 2 1 242.367 0.378 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000299903446 488193976 /nfs/dbraw/zinc/19/39/76/488193976.db2.gz DTNMGZYMBZRQCI-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@@H+](CCNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000398054938 488199530 /nfs/dbraw/zinc/19/95/30/488199530.db2.gz DEQDVERNGSGVHU-UHFFFAOYSA-N 2 1 211.309 0.078 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063042 488206260 /nfs/dbraw/zinc/20/62/60/488206260.db2.gz CJYLTOLQWUMKBB-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC1([NH3+])CC1 ZINC000398096502 488210357 /nfs/dbraw/zinc/21/03/57/488210357.db2.gz QJTJCJKASNIKLY-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC1([NH3+])CC1 ZINC000398166077 488213521 /nfs/dbraw/zinc/21/35/21/488213521.db2.gz MQIRCZQWIWWVMF-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975901 488221674 /nfs/dbraw/zinc/22/16/74/488221674.db2.gz PMPXRURBOLOECU-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975844 488221950 /nfs/dbraw/zinc/22/19/50/488221950.db2.gz FCVLIPUEYHCYAS-OUAUKWLOSA-N 2 1 225.336 0.419 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000652350131 490190517 /nfs/dbraw/zinc/19/05/17/490190517.db2.gz HOGPFDXNGRNFOJ-AGIUHOORSA-N 3 1 223.364 0.657 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000652350131 490190523 /nfs/dbraw/zinc/19/05/23/490190523.db2.gz HOGPFDXNGRNFOJ-AGIUHOORSA-N 2 1 223.364 0.657 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000078695457 490218094 /nfs/dbraw/zinc/21/80/94/490218094.db2.gz LXQMPFTVTBNKOA-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP CC[C@H]([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000229942616 490368766 /nfs/dbraw/zinc/36/87/66/490368766.db2.gz NHPXHQZWDIGKAM-JTQLQIEISA-N 2 1 234.307 0.893 20 0 BCADMP CCc1nn(C)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000124612220 490493077 /nfs/dbraw/zinc/49/30/77/490493077.db2.gz HUGWNHXPHXNTAJ-GHMZBOCLSA-N 2 1 234.347 0.634 20 0 BCADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544539 491088929 /nfs/dbraw/zinc/08/89/29/491088929.db2.gz IZMCIKSAGALAGM-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([NH+](C)C)CC1 ZINC000120620098 491099446 /nfs/dbraw/zinc/09/94/46/491099446.db2.gz KGFOALVOEXZEGV-JTQLQIEISA-N 2 1 200.326 0.641 20 0 BCADMP CN(C)C(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652327 491103453 /nfs/dbraw/zinc/10/34/53/491103453.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@@H]1CCCCO1 ZINC000090322534 491124279 /nfs/dbraw/zinc/12/42/79/491124279.db2.gz OHMUXVJCHXHCEI-FRRDWIJNSA-N 2 1 240.347 0.681 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@@H]1CCCCO1 ZINC000090322534 491124280 /nfs/dbraw/zinc/12/42/80/491124280.db2.gz OHMUXVJCHXHCEI-FRRDWIJNSA-N 2 1 240.347 0.681 20 0 BCADMP COC(C)(C)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000230413855 491130016 /nfs/dbraw/zinc/13/00/16/491130016.db2.gz GWRLKMFSOJKJHF-PHIMTYICSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)CC[N@H+]1C ZINC000132209444 491134771 /nfs/dbraw/zinc/13/47/71/491134771.db2.gz MYAGVJIDDSEIBY-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000858476006 582461757 /nfs/dbraw/zinc/46/17/57/582461757.db2.gz MQZVEJKKWFPGCZ-LBPRGKRZSA-N 2 1 238.331 0.932 20 0 BCADMP C[C@H]([NH2+]CCOCC(F)F)[C@H]1CCC[NH2+]1 ZINC000400508588 533860250 /nfs/dbraw/zinc/86/02/50/533860250.db2.gz IQAVECNZMLNOMG-DTWKUNHWSA-N 2 1 222.279 0.998 20 0 BCADMP CC[N@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C(C)C ZINC000167203953 535733441 /nfs/dbraw/zinc/73/34/41/535733441.db2.gz FORIULFKVVDDCL-JTQLQIEISA-N 2 1 245.392 0.495 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C(C)C ZINC000167203953 535733446 /nfs/dbraw/zinc/73/34/46/535733446.db2.gz FORIULFKVVDDCL-JTQLQIEISA-N 2 1 245.392 0.495 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262228634 536140871 /nfs/dbraw/zinc/14/08/71/536140871.db2.gz NQIFZFJKBMQNLL-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654724 534901086 /nfs/dbraw/zinc/90/10/86/534901086.db2.gz MHGYICLONDAWNK-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515492 534903629 /nfs/dbraw/zinc/90/36/29/534903629.db2.gz RMFHSQFVUOTJPI-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000309066337 526317508 /nfs/dbraw/zinc/31/75/08/526317508.db2.gz ZPUVQDFRMDNZRS-MVZIDQBPSA-N 2 1 212.337 0.997 20 0 BCADMP COCCOCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261560190 536499918 /nfs/dbraw/zinc/49/99/18/536499918.db2.gz UJGPMQRQBHGKHC-UHFFFAOYSA-N 2 1 242.363 0.725 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494900324 527817789 /nfs/dbraw/zinc/81/77/89/527817789.db2.gz JBDXAQLFIDTMLL-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000217806601 536516430 /nfs/dbraw/zinc/51/64/30/536516430.db2.gz DPXLNJSONYAWPQ-RWMBFGLXSA-N 2 1 244.379 0.968 20 0 BCADMP COCCOC[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261568607 536535261 /nfs/dbraw/zinc/53/52/61/536535261.db2.gz FQKFSEFSLKHRCA-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261568607 536535266 /nfs/dbraw/zinc/53/52/66/536535266.db2.gz FQKFSEFSLKHRCA-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494699594 528499749 /nfs/dbraw/zinc/49/97/49/528499749.db2.gz QJVWSSFZILVPQR-MVWJERBFSA-N 2 1 239.363 0.569 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493639549 529285236 /nfs/dbraw/zinc/28/52/36/529285236.db2.gz DMLDZJFGDDUBOP-SYTKJHMZSA-N 2 1 239.363 0.657 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC1CC[NH2+]CC1 ZINC000335646120 534985499 /nfs/dbraw/zinc/98/54/99/534985499.db2.gz LSZIBYSBAZSGTG-LLVKDONJSA-N 2 1 211.353 0.716 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262842035 534999394 /nfs/dbraw/zinc/99/93/94/534999394.db2.gz JAWKHVDMRDSCLH-MNOVXSKESA-N 2 1 227.352 0.583 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226021 535070405 /nfs/dbraw/zinc/07/04/05/535070405.db2.gz HHPYPQMXBUVBBT-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226021 535070406 /nfs/dbraw/zinc/07/04/06/535070406.db2.gz HHPYPQMXBUVBBT-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000168720179 535135483 /nfs/dbraw/zinc/13/54/83/535135483.db2.gz WUWCFGRNKAKNTE-LLVKDONJSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261556707 535164188 /nfs/dbraw/zinc/16/41/88/535164188.db2.gz QVXQLNDCHOXNAA-DGCLKSJQSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261556707 535164191 /nfs/dbraw/zinc/16/41/91/535164191.db2.gz QVXQLNDCHOXNAA-DGCLKSJQSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)([NH3+])CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335361867 535203498 /nfs/dbraw/zinc/20/34/98/535203498.db2.gz XVZHAKDQVLAVHH-LLVKDONJSA-N 2 1 246.330 0.067 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167785221 535433901 /nfs/dbraw/zinc/43/39/01/535433901.db2.gz YLNOVGLHTSDZBV-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167785221 535433905 /nfs/dbraw/zinc/43/39/05/535433905.db2.gz YLNOVGLHTSDZBV-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP CCN1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000219303165 535474444 /nfs/dbraw/zinc/47/44/44/535474444.db2.gz ROTQZSJXSXBZAU-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)C1 ZINC000075125968 535510437 /nfs/dbraw/zinc/51/04/37/535510437.db2.gz GBQKNQWECNRCGK-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)C1 ZINC000075125968 535510443 /nfs/dbraw/zinc/51/04/43/535510443.db2.gz GBQKNQWECNRCGK-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305551 535515178 /nfs/dbraw/zinc/51/51/78/535515178.db2.gz QMOXPOXRGSEDRX-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H](C)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000180233119 535524010 /nfs/dbraw/zinc/52/40/10/535524010.db2.gz YMAVIOPRZKIVKX-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336212432 535524810 /nfs/dbraw/zinc/52/48/10/535524810.db2.gz WKJIWUXAGTVOTF-NWDGAFQWSA-N 2 1 245.342 0.664 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261535889 535649983 /nfs/dbraw/zinc/64/99/83/535649983.db2.gz POFBENCOGWPCPX-NSHDSACASA-N 2 1 214.309 0.610 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403283 535679392 /nfs/dbraw/zinc/67/93/92/535679392.db2.gz BFDMCUGFKJVUTR-DCAQKATOSA-N 2 1 227.352 0.713 20 0 BCADMP CC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352165562 535751304 /nfs/dbraw/zinc/75/13/04/535751304.db2.gz HALRQNZNAIJMLA-JTQLQIEISA-N 2 1 230.356 0.187 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000261534198 535847810 /nfs/dbraw/zinc/84/78/10/535847810.db2.gz OQQQKSNVYKXHSN-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435477 535851172 /nfs/dbraw/zinc/85/11/72/535851172.db2.gz SQCBPYFKOICROT-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261586276 535952511 /nfs/dbraw/zinc/95/25/11/535952511.db2.gz QYRLABRQKGORSR-BQBZGAKWSA-N 2 1 223.267 0.070 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261562529 536316859 /nfs/dbraw/zinc/31/68/59/536316859.db2.gz BIYLBOHSAJPACF-VIFPVBQESA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261562529 536316862 /nfs/dbraw/zinc/31/68/62/536316862.db2.gz BIYLBOHSAJPACF-VIFPVBQESA-N 2 1 214.309 0.751 20 0 BCADMP C[NH+]1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000226321316 536344453 /nfs/dbraw/zinc/34/44/53/536344453.db2.gz HYOVNSYBFNZLIW-UHFFFAOYSA-N 2 1 243.420 0.719 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354522 /nfs/dbraw/zinc/35/45/22/536354522.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354526 /nfs/dbraw/zinc/35/45/26/536354526.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354529 /nfs/dbraw/zinc/35/45/29/536354529.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000167521504 536376619 /nfs/dbraw/zinc/37/66/19/536376619.db2.gz UBZGJGYVHUHOCN-MNOVXSKESA-N 2 1 237.347 0.420 20 0 BCADMP CN1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401003 536452533 /nfs/dbraw/zinc/45/25/33/536452533.db2.gz UJEOKYDJHWUZNT-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401003 536452535 /nfs/dbraw/zinc/45/25/35/536452535.db2.gz UJEOKYDJHWUZNT-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CN1CC[C@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071891 536478484 /nfs/dbraw/zinc/47/84/84/536478484.db2.gz SBCSBPHSZMJWIF-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C([N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246747 588728667 /nfs/dbraw/zinc/72/86/67/588728667.db2.gz RSNLOVOIQHIESG-OCCSQVGLSA-N 3 1 235.375 0.671 20 0 BCADMP C[NH2+]C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000853248863 588728851 /nfs/dbraw/zinc/72/88/51/588728851.db2.gz KZOKCFRGXZQBBA-SECBINFHSA-N 2 1 242.392 0.902 20 0 BCADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000854221041 588780132 /nfs/dbraw/zinc/78/01/32/588780132.db2.gz FEHORYDWMBUHPK-WDEREUQCSA-N 2 1 210.321 0.897 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NOCC[NH+](C)C)CC[N@H+]1C ZINC000854945564 588817858 /nfs/dbraw/zinc/81/78/58/588817858.db2.gz SXSQXLLHOOVYIH-QWRGUYRKSA-N 2 1 243.351 0.326 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403217 582678478 /nfs/dbraw/zinc/67/84/78/582678478.db2.gz KEHSIRDJHFPOOX-GMTAPVOTSA-N 2 1 240.351 0.117 20 0 BCADMP COCCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892947185 583016415 /nfs/dbraw/zinc/01/64/15/583016415.db2.gz YPKYNHDQLQWCRW-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294675 /nfs/dbraw/zinc/29/46/75/583294675.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 2 1 240.347 0.631 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294676 /nfs/dbraw/zinc/29/46/76/583294676.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 2 1 240.347 0.631 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294677 /nfs/dbraw/zinc/29/46/77/583294677.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 2 1 240.347 0.631 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294679 /nfs/dbraw/zinc/29/46/79/583294679.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 2 1 240.347 0.631 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877250396 583305051 /nfs/dbraw/zinc/30/50/51/583305051.db2.gz PNHQDZOKQAUEJF-WYUUTHIRSA-N 2 1 237.347 0.276 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000841847589 583360035 /nfs/dbraw/zinc/36/00/35/583360035.db2.gz AYRHQDPKBJPQSG-UHFFFAOYSA-N 2 1 233.315 0.732 20 0 BCADMP CC(C)C[C@@H](N)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843241 583413854 /nfs/dbraw/zinc/41/38/54/583413854.db2.gz CAMQUHOWPFCRMK-VXGBXAGGSA-N 2 1 213.369 0.949 20 0 BCADMP CC[NH+](CC)CCOCC[NH2+]Cc1c[nH]cn1 ZINC000894456515 583464092 /nfs/dbraw/zinc/46/40/92/583464092.db2.gz RXNULCFMZOOXLQ-UHFFFAOYSA-N 2 1 240.351 0.858 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131186 583471145 /nfs/dbraw/zinc/47/11/45/583471145.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 1 235.335 0.447 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000880131186 583471147 /nfs/dbraw/zinc/47/11/47/583471147.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 1 235.335 0.447 20 0 BCADMP C[C@H](O)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000894946645 583557186 /nfs/dbraw/zinc/55/71/86/583557186.db2.gz VAIGZMRCOUPFTQ-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@H]2C)[nH+]1 ZINC000895738500 583719358 /nfs/dbraw/zinc/71/93/58/583719358.db2.gz WUHJFFNMLJMJPI-IUCAKERBSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@H]2C)[nH+]1 ZINC000895738500 583719359 /nfs/dbraw/zinc/71/93/59/583719359.db2.gz WUHJFFNMLJMJPI-IUCAKERBSA-N 2 1 221.308 0.872 20 0 BCADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000895767246 583720109 /nfs/dbraw/zinc/72/01/09/583720109.db2.gz JHRNRHMEYUEGFZ-JTQLQIEISA-N 2 1 207.277 0.112 20 0 BCADMP CN1CC[C@H]1CNc1cc(-n2ccnc2)ncn1 ZINC000895771149 583725482 /nfs/dbraw/zinc/72/54/82/583725482.db2.gz HXRLGMYQGNVFJH-JTQLQIEISA-N 2 1 244.302 0.778 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000895799567 583730706 /nfs/dbraw/zinc/73/07/06/583730706.db2.gz UNVBOWWDJZDVEU-GFCCVEGCSA-N 2 1 248.330 0.126 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000896667628 583821856 /nfs/dbraw/zinc/82/18/56/583821856.db2.gz JOVSNKZHUWBVRA-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000896667628 583821857 /nfs/dbraw/zinc/82/18/57/583821857.db2.gz JOVSNKZHUWBVRA-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000896667628 583821859 /nfs/dbraw/zinc/82/18/59/583821859.db2.gz JOVSNKZHUWBVRA-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183041 588937711 /nfs/dbraw/zinc/93/77/11/588937711.db2.gz RANWUSCPMQQYLQ-GMTAPVOTSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983247 583933259 /nfs/dbraw/zinc/93/32/59/583933259.db2.gz UBTWLCKQPGZSDN-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP O[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872141058 583948016 /nfs/dbraw/zinc/94/80/16/583948016.db2.gz JLUAMZFODFUSIP-WUHRBBMRSA-N 2 1 240.347 0.353 20 0 BCADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000897423685 583964523 /nfs/dbraw/zinc/96/45/23/583964523.db2.gz RKKPYAAXZUWIKM-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000897429478 583973204 /nfs/dbraw/zinc/97/32/04/583973204.db2.gz FEPKELZOLIZDEO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000897429478 583973206 /nfs/dbraw/zinc/97/32/06/583973206.db2.gz FEPKELZOLIZDEO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000897429478 583973209 /nfs/dbraw/zinc/97/32/09/583973209.db2.gz FEPKELZOLIZDEO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC000897896119 584058689 /nfs/dbraw/zinc/05/86/89/584058689.db2.gz NJOJXAFQIBQQHE-SNVBAGLBSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000897896965 584058731 /nfs/dbraw/zinc/05/87/31/584058731.db2.gz FWQPZDDYGATCSD-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898202709 584089824 /nfs/dbraw/zinc/08/98/24/584089824.db2.gz KZAYTIHRBZQSSR-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232243 584127827 /nfs/dbraw/zinc/12/78/27/584127827.db2.gz NPOMWAWMNPHZDG-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000899266321 584189670 /nfs/dbraw/zinc/18/96/70/584189670.db2.gz RLRUKPITYQIQAP-UWVGGRQHSA-N 2 1 224.352 0.851 20 0 BCADMP CON(C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858580037 588968643 /nfs/dbraw/zinc/96/86/43/588968643.db2.gz VVVCLZBORGFMBM-OUAUKWLOSA-N 2 1 243.351 0.467 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000858580037 588968644 /nfs/dbraw/zinc/96/86/44/588968644.db2.gz VVVCLZBORGFMBM-OUAUKWLOSA-N 2 1 243.351 0.467 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899919607 584252578 /nfs/dbraw/zinc/25/25/78/584252578.db2.gz CGDFWKGFEPVINY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000899934412 584257922 /nfs/dbraw/zinc/25/79/22/584257922.db2.gz GAGLVINCZPEEJM-UHFFFAOYSA-N 2 1 237.347 0.246 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc([C@]23C[C@H]2CCC[NH2+]3)n1 ZINC000900010368 584265533 /nfs/dbraw/zinc/26/55/33/584265533.db2.gz QLUVSOUVWQBFNL-SBMIAAHKSA-N 2 1 236.319 0.819 20 0 BCADMP C[N@H+](CCCn1ccnc1)CN1CCOC1=O ZINC000902188887 584536200 /nfs/dbraw/zinc/53/62/00/584536200.db2.gz OUKRZVOVHMWXBB-UHFFFAOYSA-N 2 1 238.291 0.615 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CN1CCOC1=O ZINC000902188887 584536202 /nfs/dbraw/zinc/53/62/02/584536202.db2.gz OUKRZVOVHMWXBB-UHFFFAOYSA-N 2 1 238.291 0.615 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000902409210 584575461 /nfs/dbraw/zinc/57/54/61/584575461.db2.gz JLHDVYZPUUKRMG-GMTAPVOTSA-N 2 1 209.337 0.455 20 0 BCADMP C[C@@H]([NH2+]CC1(N)CC1)C1CC[NH+](C)CC1 ZINC000902416417 584590189 /nfs/dbraw/zinc/59/01/89/584590189.db2.gz NVZFMHWMLSRCBF-SNVBAGLBSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCON)[C@@H]2CCC[C@@H]21 ZINC000902416638 584590331 /nfs/dbraw/zinc/59/03/31/584590331.db2.gz VHXOMWCDVUICFB-SRVKXCTJSA-N 2 1 227.352 0.729 20 0 BCADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000902442023 584597676 /nfs/dbraw/zinc/59/76/76/584597676.db2.gz GVPUDFXVLYEJQT-LLVKDONJSA-N 2 1 225.336 0.195 20 0 BCADMP CC(=O)N1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447317 584604952 /nfs/dbraw/zinc/60/49/52/584604952.db2.gz SGERINBLTPJXIY-LBPRGKRZSA-N 2 1 239.363 0.585 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902447253 584604961 /nfs/dbraw/zinc/60/49/61/584604961.db2.gz XOMKJMYJSBTVEL-LPWJVIDDSA-N 2 1 237.391 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451321 584606775 /nfs/dbraw/zinc/60/67/75/584606775.db2.gz WKKZGSJDROUPKC-MXWKQRLJSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H](CCCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468875 584615284 /nfs/dbraw/zinc/61/52/84/584615284.db2.gz XIHSDMYJGSSYQQ-WHOHXGKFSA-N 2 1 211.353 0.986 20 0 BCADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468875 584615285 /nfs/dbraw/zinc/61/52/85/584615285.db2.gz XIHSDMYJGSSYQQ-WHOHXGKFSA-N 2 1 211.353 0.986 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000902513757 584619246 /nfs/dbraw/zinc/61/92/46/584619246.db2.gz HZANSLIONIIUAH-IUCAKERBSA-N 2 1 225.292 0.152 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502383 584620372 /nfs/dbraw/zinc/62/03/72/584620372.db2.gz DZEKSLYAGYBTFU-GHMZBOCLSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]([NH2+]CC[C@H](O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902505449 584621555 /nfs/dbraw/zinc/62/15/55/584621555.db2.gz SNTYQUOOLYMMPR-JLLWLGSASA-N 2 1 212.337 0.878 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000903433233 584762198 /nfs/dbraw/zinc/76/21/98/584762198.db2.gz WKWDBTOKCDTEOX-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCCO)C1CC1 ZINC000903438688 584762788 /nfs/dbraw/zinc/76/27/88/584762788.db2.gz ZCYZROGBMGLZEP-MNOVXSKESA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421985 584763529 /nfs/dbraw/zinc/76/35/29/584763529.db2.gz SEZGGXFWWCXJPM-UPJWGTAASA-N 3 1 225.380 0.773 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421985 584763531 /nfs/dbraw/zinc/76/35/31/584763531.db2.gz SEZGGXFWWCXJPM-UPJWGTAASA-N 3 1 225.380 0.773 20 0 BCADMP CON1CC[C@@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450324 584772221 /nfs/dbraw/zinc/77/22/21/584772221.db2.gz UDKYMXYGYXTGSF-WDEREUQCSA-N 2 1 241.335 0.210 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453800 584772473 /nfs/dbraw/zinc/77/24/73/584772473.db2.gz LUEJKQDANVEFAQ-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453800 584772476 /nfs/dbraw/zinc/77/24/76/584772476.db2.gz LUEJKQDANVEFAQ-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453801 584772488 /nfs/dbraw/zinc/77/24/88/584772488.db2.gz LUEJKQDANVEFAQ-RDBSUJKOSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453801 584772489 /nfs/dbraw/zinc/77/24/89/584772489.db2.gz LUEJKQDANVEFAQ-RDBSUJKOSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000903453821 584772634 /nfs/dbraw/zinc/77/26/34/584772634.db2.gz MTJAMZPHRVXCGR-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000903453821 584772635 /nfs/dbraw/zinc/77/26/35/584772635.db2.gz MTJAMZPHRVXCGR-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000903455552 584774029 /nfs/dbraw/zinc/77/40/29/584774029.db2.gz ZTLUOGGIQYTYTJ-LPWJVIDDSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000903455552 584774031 /nfs/dbraw/zinc/77/40/31/584774031.db2.gz ZTLUOGGIQYTYTJ-LPWJVIDDSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000903455552 584774033 /nfs/dbraw/zinc/77/40/33/584774033.db2.gz ZTLUOGGIQYTYTJ-LPWJVIDDSA-N 2 1 225.380 0.866 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3ncnc3C2)C1 ZINC000903455308 584774256 /nfs/dbraw/zinc/77/42/56/584774256.db2.gz STCNJRVRFITTNQ-VHSXEESVSA-N 2 1 221.308 0.221 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCn3ncnc3C2)C1 ZINC000903455308 584774257 /nfs/dbraw/zinc/77/42/57/584774257.db2.gz STCNJRVRFITTNQ-VHSXEESVSA-N 2 1 221.308 0.221 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000903455555 584774272 /nfs/dbraw/zinc/77/42/72/584774272.db2.gz ZTLUOGGIQYTYTJ-XQHKEYJVSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000903455555 584774273 /nfs/dbraw/zinc/77/42/73/584774273.db2.gz ZTLUOGGIQYTYTJ-XQHKEYJVSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000903455555 584774274 /nfs/dbraw/zinc/77/42/74/584774274.db2.gz ZTLUOGGIQYTYTJ-XQHKEYJVSA-N 2 1 225.380 0.866 20 0 BCADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470401 584774685 /nfs/dbraw/zinc/77/46/85/584774685.db2.gz AXAGGDQPTVENJZ-LLVKDONJSA-N 2 1 220.320 0.826 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474232 584776610 /nfs/dbraw/zinc/77/66/10/584776610.db2.gz JLUVJRAMCVIYGB-MNOVXSKESA-N 3 1 215.341 0.021 20 0 BCADMP c1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903470882 584775658 /nfs/dbraw/zinc/77/56/58/584775658.db2.gz OYYITNVEAHLJPI-NSHDSACASA-N 2 1 220.320 0.757 20 0 BCADMP COC[C@]1(C)C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903474667 584776669 /nfs/dbraw/zinc/77/66/69/584776669.db2.gz OYHAKBVMGARKME-AGIUHOORSA-N 2 1 242.363 0.579 20 0 BCADMP COC[C@]1(C)C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903474667 584776670 /nfs/dbraw/zinc/77/66/70/584776670.db2.gz OYHAKBVMGARKME-AGIUHOORSA-N 2 1 242.363 0.579 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000903475913 584776958 /nfs/dbraw/zinc/77/69/58/584776958.db2.gz HSOYLOYNGQCCNG-QNWHQSFQSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000903475913 584776960 /nfs/dbraw/zinc/77/69/60/584776960.db2.gz HSOYLOYNGQCCNG-QNWHQSFQSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000903476120 584777409 /nfs/dbraw/zinc/77/74/09/584777409.db2.gz NZXLLCIFILMEQR-ZOBORPQBSA-N 2 1 237.391 0.868 20 0 BCADMP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000903481676 584777956 /nfs/dbraw/zinc/77/79/56/584777956.db2.gz JMAINDBORWTOHK-VXGBXAGGSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903478987 584778055 /nfs/dbraw/zinc/77/80/55/584778055.db2.gz OSJKTUXLBPPBPF-MROQNXINSA-N 3 1 223.364 0.655 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000903481674 584778263 /nfs/dbraw/zinc/77/82/63/584778263.db2.gz JMAINDBORWTOHK-NWDGAFQWSA-N 2 1 242.363 0.912 20 0 BCADMP CC[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492887 584780889 /nfs/dbraw/zinc/78/08/89/584780889.db2.gz KRAKRBFRIVWXQA-XZUYRWCXSA-N 2 1 240.347 0.997 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903708317 584791344 /nfs/dbraw/zinc/79/13/44/584791344.db2.gz QNCIOKGUAQQJJS-QWHCGFSZSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732290 584793054 /nfs/dbraw/zinc/79/30/54/584793054.db2.gz FARSQWKPVZIEAJ-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903716049 584794090 /nfs/dbraw/zinc/79/40/90/584794090.db2.gz GWIKKUGYXPOWOS-KXNHARMFSA-N 2 1 240.347 0.855 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715803 584794223 /nfs/dbraw/zinc/79/42/23/584794223.db2.gz ADUBNXSEPSDBBN-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715803 584794224 /nfs/dbraw/zinc/79/42/24/584794224.db2.gz ADUBNXSEPSDBBN-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903747720 584794662 /nfs/dbraw/zinc/79/46/62/584794662.db2.gz VLYCMXMWRVIFLJ-NNYUYHANSA-N 2 1 238.331 0.337 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748870 584794758 /nfs/dbraw/zinc/79/47/58/584794758.db2.gz CAYHNVLYJWCVJU-IFWUJCSASA-N 3 1 239.363 0.177 20 0 BCADMP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748870 584794759 /nfs/dbraw/zinc/79/47/59/584794759.db2.gz CAYHNVLYJWCVJU-IFWUJCSASA-N 2 1 239.363 0.177 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753068 584796324 /nfs/dbraw/zinc/79/63/24/584796324.db2.gz ZOMZHRSFTHTGBK-XQQFMLRXSA-N 2 1 240.347 0.212 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903766932 584797175 /nfs/dbraw/zinc/79/71/75/584797175.db2.gz DEZJXJLAEXQWSZ-NOOOWODRSA-N 2 1 240.347 0.997 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764267 584797453 /nfs/dbraw/zinc/79/74/53/584797453.db2.gz QQIVOEIGQYCUSQ-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP COCC(COC)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000903764333 584797614 /nfs/dbraw/zinc/79/76/14/584797614.db2.gz RLDIIMJYPBRODK-GHMZBOCLSA-N 2 1 216.325 0.507 20 0 BCADMP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903769524 584798050 /nfs/dbraw/zinc/79/80/50/584798050.db2.gz IGMNQLUDTDDPIZ-CMPLNLGQSA-N 2 1 228.336 0.461 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903769524 584798051 /nfs/dbraw/zinc/79/80/51/584798051.db2.gz IGMNQLUDTDDPIZ-CMPLNLGQSA-N 2 1 228.336 0.461 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903755985 584798761 /nfs/dbraw/zinc/79/87/61/584798761.db2.gz NVFNKFLUYYCUIP-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903755986 584798811 /nfs/dbraw/zinc/79/88/11/584798811.db2.gz NVFNKFLUYYCUIP-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805464 584802631 /nfs/dbraw/zinc/80/26/31/584802631.db2.gz OGDMLKLAINQXOA-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805464 584802632 /nfs/dbraw/zinc/80/26/32/584802632.db2.gz OGDMLKLAINQXOA-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC(=O)CC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808821 584803276 /nfs/dbraw/zinc/80/32/76/584803276.db2.gz VZNIMOWHSUVKFE-UHFFFAOYSA-N 2 1 244.335 0.379 20 0 BCADMP CCOC(=O)CC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808821 584803277 /nfs/dbraw/zinc/80/32/77/584803277.db2.gz VZNIMOWHSUVKFE-UHFFFAOYSA-N 2 1 244.335 0.379 20 0 BCADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCO)CCC1 ZINC000903812111 584803385 /nfs/dbraw/zinc/80/33/85/584803385.db2.gz PZYPVKHGBZZBHX-NSHDSACASA-N 2 1 212.337 0.962 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903823200 584804330 /nfs/dbraw/zinc/80/43/30/584804330.db2.gz DCHKWBZVSUIMOR-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903823200 584804331 /nfs/dbraw/zinc/80/43/31/584804331.db2.gz DCHKWBZVSUIMOR-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903826273 584804816 /nfs/dbraw/zinc/80/48/16/584804816.db2.gz HALFRRJYLIRREQ-LOWVWBTDSA-N 2 1 237.347 0.326 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CC[NH2+]C1 ZINC000903827427 584804990 /nfs/dbraw/zinc/80/49/90/584804990.db2.gz SHXBRCBDRGIWGB-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP [NH3+]CCC[N@H+]1CCCCCNC(=O)CC1 ZINC000903829388 584805259 /nfs/dbraw/zinc/80/52/59/584805259.db2.gz FPBAZBYDGVARFZ-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP C(C[N@H+]1CCO[C@@H]2COCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000903829223 584805348 /nfs/dbraw/zinc/80/53/48/584805348.db2.gz CHSGVKFDVGKHSW-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833813 584806241 /nfs/dbraw/zinc/80/62/41/584806241.db2.gz YEGFTCLQPRYJIA-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP COCC[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903833413 584806289 /nfs/dbraw/zinc/80/62/89/584806289.db2.gz WAJOEQINVGHNAJ-ZDUSSCGKSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000903833413 584806291 /nfs/dbraw/zinc/80/62/91/584806291.db2.gz WAJOEQINVGHNAJ-ZDUSSCGKSA-N 2 1 241.379 0.296 20 0 BCADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCn1cccn1 ZINC000903855371 584808539 /nfs/dbraw/zinc/80/85/39/584808539.db2.gz MOSOISJSQAUYEQ-NEPJUHHUSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCn1cccn1 ZINC000903855371 584808540 /nfs/dbraw/zinc/80/85/40/584808540.db2.gz MOSOISJSQAUYEQ-NEPJUHHUSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCn1cccn1 ZINC000903855371 584808541 /nfs/dbraw/zinc/80/85/41/584808541.db2.gz MOSOISJSQAUYEQ-NEPJUHHUSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCOC1CC1 ZINC000903857891 584809867 /nfs/dbraw/zinc/80/98/67/584809867.db2.gz GIODUTOWLNQIKP-CMPLNLGQSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOC1CC1 ZINC000903857891 584809868 /nfs/dbraw/zinc/80/98/68/584809868.db2.gz GIODUTOWLNQIKP-CMPLNLGQSA-N 2 1 210.321 0.979 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860019 584812416 /nfs/dbraw/zinc/81/24/16/584812416.db2.gz PXNZTPCDGMECBJ-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860019 584812417 /nfs/dbraw/zinc/81/24/17/584812417.db2.gz PXNZTPCDGMECBJ-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872436 584815165 /nfs/dbraw/zinc/81/51/65/584815165.db2.gz ZOUYSOJPYFUWFE-LBPRGKRZSA-N 2 1 225.336 0.293 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872436 584815166 /nfs/dbraw/zinc/81/51/66/584815166.db2.gz ZOUYSOJPYFUWFE-LBPRGKRZSA-N 2 1 225.336 0.293 20 0 BCADMP N[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872766 584815182 /nfs/dbraw/zinc/81/51/82/584815182.db2.gz BWUZUPCVMOPMOJ-HSTDOPHLSA-N 2 1 209.337 0.550 20 0 BCADMP [NH3+][C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872766 584815183 /nfs/dbraw/zinc/81/51/83/584815183.db2.gz BWUZUPCVMOPMOJ-HSTDOPHLSA-N 3 1 209.337 0.550 20 0 BCADMP [NH3+][C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872766 584815184 /nfs/dbraw/zinc/81/51/84/584815184.db2.gz BWUZUPCVMOPMOJ-HSTDOPHLSA-N 3 1 209.337 0.550 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@]12CC[NH2+]C2 ZINC000903871346 584815625 /nfs/dbraw/zinc/81/56/25/584815625.db2.gz SLMYRKCYMNMOPV-CYBMUJFWSA-N 2 1 234.347 0.791 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000903874623 584816461 /nfs/dbraw/zinc/81/64/61/584816461.db2.gz GBIBOJGSNLKCNA-VWYCJHECSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000903874623 584816462 /nfs/dbraw/zinc/81/64/62/584816462.db2.gz GBIBOJGSNLKCNA-VWYCJHECSA-N 2 1 225.336 0.052 20 0 BCADMP CC(C)[N@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903876744 584816772 /nfs/dbraw/zinc/81/67/72/584816772.db2.gz HWMJVVPKSMCVGP-QMMMGPOBSA-N 2 1 210.268 0.672 20 0 BCADMP COC[C@@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903880435 584817141 /nfs/dbraw/zinc/81/71/41/584817141.db2.gz IFTHCUPTLQUAHW-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903880435 584817143 /nfs/dbraw/zinc/81/71/43/584817143.db2.gz IFTHCUPTLQUAHW-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903882577 584818166 /nfs/dbraw/zinc/81/81/66/584818166.db2.gz OFNCKWUQBYERRL-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP OC[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885731 584818949 /nfs/dbraw/zinc/81/89/49/584818949.db2.gz KBPIAXNNVISOAZ-WVMKXHBISA-N 2 1 224.348 0.974 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903884827 584819207 /nfs/dbraw/zinc/81/92/07/584819207.db2.gz GZQMSCYHUINGAI-JGVFFNPUSA-N 2 1 238.278 0.710 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903884827 584819208 /nfs/dbraw/zinc/81/92/08/584819208.db2.gz GZQMSCYHUINGAI-JGVFFNPUSA-N 2 1 238.278 0.710 20 0 BCADMP C[N@H+]1CCN(C[C@H]([NH3+])CC(F)F)C(C)(C)C1 ZINC000903894762 584819892 /nfs/dbraw/zinc/81/98/92/584819892.db2.gz DHHKZOOUJGIGIC-SECBINFHSA-N 2 1 235.322 0.995 20 0 BCADMP COC(=O)CC1([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903932397 584824985 /nfs/dbraw/zinc/82/49/85/584824985.db2.gz QSCSILVNESTZCL-ZETCQYMHSA-N 2 1 236.262 0.654 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC000903931642 584825293 /nfs/dbraw/zinc/82/52/93/584825293.db2.gz HCYHSWSWBPUMQB-JGVFFNPUSA-N 2 1 222.279 0.814 20 0 BCADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000903939443 584825487 /nfs/dbraw/zinc/82/54/87/584825487.db2.gz HMQPGTLNBVIZSQ-JQWIXIFHSA-N 2 1 226.320 0.610 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1cc(N)ccn1 ZINC000903954322 584832289 /nfs/dbraw/zinc/83/22/89/584832289.db2.gz QOMGQNFKSRXHNZ-JTQLQIEISA-N 2 1 222.336 0.984 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000903978690 584833060 /nfs/dbraw/zinc/83/30/60/584833060.db2.gz KQEXLBXKAIIHKC-IJLUTSLNSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CN ZINC000904299774 584860687 /nfs/dbraw/zinc/86/06/87/584860687.db2.gz OBYASOOLPAVSCK-WYUUTHIRSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000904299774 584860688 /nfs/dbraw/zinc/86/06/88/584860688.db2.gz OBYASOOLPAVSCK-WYUUTHIRSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904300142 584861427 /nfs/dbraw/zinc/86/14/27/584861427.db2.gz XEMIQNMORNXVQA-UWVGGRQHSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904300142 584861428 /nfs/dbraw/zinc/86/14/28/584861428.db2.gz XEMIQNMORNXVQA-UWVGGRQHSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000904301603 584861502 /nfs/dbraw/zinc/86/15/02/584861502.db2.gz JSGZIJNRGWAOGW-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309678 584862468 /nfs/dbraw/zinc/86/24/68/584862468.db2.gz PARBXOJTQHPPGV-ZDUSSCGKSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309678 584862469 /nfs/dbraw/zinc/86/24/69/584862469.db2.gz PARBXOJTQHPPGV-ZDUSSCGKSA-N 2 1 241.379 0.819 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308482 584862946 /nfs/dbraw/zinc/86/29/46/584862946.db2.gz QUXOYKYJZFHTCF-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000904314430 584863210 /nfs/dbraw/zinc/86/32/10/584863210.db2.gz XDGGQVVDYRGWDZ-KXNHARMFSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321663 584864451 /nfs/dbraw/zinc/86/44/51/584864451.db2.gz BBKZXQOFSJCEKH-YTWAJWBKSA-N 2 1 248.392 0.477 20 0 BCADMP COCCCOCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329563 584865789 /nfs/dbraw/zinc/86/57/89/584865789.db2.gz PVHWBHLMUHITLE-TXEJJXNPSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000904328809 584866158 /nfs/dbraw/zinc/86/61/58/584866158.db2.gz SRJBVXHNPQCTRH-UPJWGTAASA-N 2 1 249.362 0.727 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000904334388 584866380 /nfs/dbraw/zinc/86/63/80/584866380.db2.gz UTFSWKXPEIUKTK-FRRDWIJNSA-N 3 1 223.364 0.799 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342290 584867018 /nfs/dbraw/zinc/86/70/18/584867018.db2.gz CEMPNPIHEGGIOL-WISYIIOYSA-N 2 1 228.336 0.459 20 0 BCADMP CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342563 584867289 /nfs/dbraw/zinc/86/72/89/584867289.db2.gz KQWGKRAGZUFFBI-LOWVWBTDSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343610 584867654 /nfs/dbraw/zinc/86/76/54/584867654.db2.gz WEHUBNAJENOFKE-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP CCN1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904346403 584868084 /nfs/dbraw/zinc/86/80/84/584868084.db2.gz TXPIBTDJTCPWQM-PHIMTYICSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@]23CCOC3=O)C1 ZINC000904348256 584868205 /nfs/dbraw/zinc/86/82/05/584868205.db2.gz OMFVSZSHQKRFPY-JFGNBEQYSA-N 2 1 224.304 0.505 20 0 BCADMP COC(=O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345302 584868526 /nfs/dbraw/zinc/86/85/26/584868526.db2.gz CSOHYRMJIRISLQ-WISYIIOYSA-N 2 1 240.347 0.997 20 0 BCADMP CCN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904348810 584869049 /nfs/dbraw/zinc/86/90/49/584869049.db2.gz WDYMALYTTHXUMO-PHIMTYICSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+]C[C@H]([NH2+]C1CC(C[NH3+])C1)C1CCCC1 ZINC000904359034 584871680 /nfs/dbraw/zinc/87/16/80/584871680.db2.gz WNXNMNKKUIHQPC-NHNAUAITSA-N 3 1 211.353 0.831 20 0 BCADMP [NH3+]Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000904371767 584873470 /nfs/dbraw/zinc/87/34/70/584873470.db2.gz SSLDQJVGSIKURD-CQSZACIVSA-N 3 1 249.358 0.695 20 0 BCADMP [NH3+]Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000904371767 584873471 /nfs/dbraw/zinc/87/34/71/584873471.db2.gz SSLDQJVGSIKURD-CQSZACIVSA-N 3 1 249.358 0.695 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](O)[C@H](CO)C2)CCC[NH2+]C1 ZINC000904373508 584873648 /nfs/dbraw/zinc/87/36/48/584873648.db2.gz RTACYMCAEBPMIB-AVGNSLFASA-N 2 1 242.363 0.051 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374364 584873702 /nfs/dbraw/zinc/87/37/02/584873702.db2.gz REASFPHVFWMCMX-CHWSQXEVSA-N 2 1 240.395 0.269 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904373872 584873759 /nfs/dbraw/zinc/87/37/59/584873759.db2.gz LAQFOYUCCVZQDG-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904373872 584873760 /nfs/dbraw/zinc/87/37/60/584873760.db2.gz LAQFOYUCCVZQDG-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904373871 584873986 /nfs/dbraw/zinc/87/39/86/584873986.db2.gz LAQFOYUCCVZQDG-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904373871 584873987 /nfs/dbraw/zinc/87/39/87/584873987.db2.gz LAQFOYUCCVZQDG-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP Cn1nccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363748 584874244 /nfs/dbraw/zinc/87/42/44/584874244.db2.gz NCIIRTUULHZKFV-LBPRGKRZSA-N 2 1 222.336 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H]1CC[NH3+] ZINC000904389460 584875568 /nfs/dbraw/zinc/87/55/68/584875568.db2.gz YNZNJRDSBBKYMP-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1COCCO1 ZINC000904377774 584875869 /nfs/dbraw/zinc/87/58/69/584875869.db2.gz YOSPCGAPUWLHNE-OUAUKWLOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380352 584876587 /nfs/dbraw/zinc/87/65/87/584876587.db2.gz AVMHREZKVXYUSZ-MPZDIEGVSA-N 3 1 223.364 0.655 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000904380877 584876779 /nfs/dbraw/zinc/87/67/79/584876779.db2.gz PAUJMTDOJQPMLO-UHFFFAOYSA-N 3 1 249.358 0.743 20 0 BCADMP Cc1nc([C@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388151 584878039 /nfs/dbraw/zinc/87/80/39/584878039.db2.gz FDKJXBKSYLOKNP-GARJFASQSA-N 2 1 236.319 0.905 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000904385666 584878092 /nfs/dbraw/zinc/87/80/92/584878092.db2.gz BGPVAVMYXWGJKW-HGCLJGPKSA-N 2 1 210.321 0.426 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407099 584878470 /nfs/dbraw/zinc/87/84/70/584878470.db2.gz NIJKLFFJXXCCQK-NEPJUHHUSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407100 584878527 /nfs/dbraw/zinc/87/85/27/584878527.db2.gz NIJKLFFJXXCCQK-NWDGAFQWSA-N 3 1 213.369 0.888 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410583 584878837 /nfs/dbraw/zinc/87/88/37/584878837.db2.gz PAXIPLQQJDAOOW-GHMZBOCLSA-N 3 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@H+](CC2(CN)CC2)CC[C@@H]1C[NH3+] ZINC000904410583 584878838 /nfs/dbraw/zinc/87/88/38/584878838.db2.gz PAXIPLQQJDAOOW-GHMZBOCLSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(CN)CC2)CC[C@@H]1C[NH3+] ZINC000904410583 584878839 /nfs/dbraw/zinc/87/88/39/584878839.db2.gz PAXIPLQQJDAOOW-GHMZBOCLSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415387 584880449 /nfs/dbraw/zinc/88/04/49/584880449.db2.gz GUUMQBUJJWONIS-WRWGMCAJSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1N ZINC000904415387 584880450 /nfs/dbraw/zinc/88/04/50/584880450.db2.gz GUUMQBUJJWONIS-WRWGMCAJSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1N ZINC000904415387 584880452 /nfs/dbraw/zinc/88/04/52/584880452.db2.gz GUUMQBUJJWONIS-WRWGMCAJSA-N 2 1 211.353 0.654 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCOC1 ZINC000904420213 584881907 /nfs/dbraw/zinc/88/19/07/584881907.db2.gz GTYXPTWUAJDRRU-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420504 584882166 /nfs/dbraw/zinc/88/21/66/584882166.db2.gz QVLCJRVHZZFPTH-XDQVBPFNSA-N 3 1 237.391 0.916 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081426 584889755 /nfs/dbraw/zinc/88/97/55/584889755.db2.gz AWRGAOXEDCFLNT-HBNTYKKESA-N 2 1 239.363 0.570 20 0 BCADMP CC(=O)NCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000741250973 585111856 /nfs/dbraw/zinc/11/18/56/585111856.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CC(=O)NCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000741250973 585111857 /nfs/dbraw/zinc/11/18/57/585111857.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CC(=O)NCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000741250973 585111858 /nfs/dbraw/zinc/11/18/58/585111858.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886349174 585134300 /nfs/dbraw/zinc/13/43/00/585134300.db2.gz ZROGNWNOZWTREN-PHIMTYICSA-N 2 1 237.347 0.149 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748347573 585191363 /nfs/dbraw/zinc/19/13/63/585191363.db2.gz APXMQHWHEAQAAU-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748347573 585191364 /nfs/dbraw/zinc/19/13/64/585191364.db2.gz APXMQHWHEAQAAU-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748347573 585191365 /nfs/dbraw/zinc/19/13/65/585191365.db2.gz APXMQHWHEAQAAU-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748347573 585191366 /nfs/dbraw/zinc/19/13/66/585191366.db2.gz APXMQHWHEAQAAU-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748350094 585191373 /nfs/dbraw/zinc/19/13/73/585191373.db2.gz NWFNXNSRDGMMNO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)C1 ZINC000748350094 585191374 /nfs/dbraw/zinc/19/13/74/585191374.db2.gz NWFNXNSRDGMMNO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748350094 585191375 /nfs/dbraw/zinc/19/13/75/585191375.db2.gz NWFNXNSRDGMMNO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748350094 585191376 /nfs/dbraw/zinc/19/13/76/585191376.db2.gz NWFNXNSRDGMMNO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCN1CCCNC(=O)C1 ZINC000760830468 585398548 /nfs/dbraw/zinc/39/85/48/585398548.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP Cc1nccn1CCC[N@H+]1CCCNC(=O)C1 ZINC000762916907 585439226 /nfs/dbraw/zinc/43/92/26/585439226.db2.gz JDYDVKINQUIMSK-UHFFFAOYSA-N 2 1 236.319 0.404 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CCCNC(=O)C1 ZINC000762916907 585439228 /nfs/dbraw/zinc/43/92/28/585439228.db2.gz JDYDVKINQUIMSK-UHFFFAOYSA-N 2 1 236.319 0.404 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000763040862 585442092 /nfs/dbraw/zinc/44/20/92/585442092.db2.gz ALIOILYJVVTJOP-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000769933166 585566092 /nfs/dbraw/zinc/56/60/92/585566092.db2.gz FDAOHGMTDOCEMU-NSHDSACASA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000774113252 585650532 /nfs/dbraw/zinc/65/05/32/585650532.db2.gz CQLAAAXVUHSPOO-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C=O)CC1 ZINC000774210167 585654133 /nfs/dbraw/zinc/65/41/33/585654133.db2.gz RVBXXRFRGHQYLT-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C=O)CC1 ZINC000774210167 585654134 /nfs/dbraw/zinc/65/41/34/585654134.db2.gz RVBXXRFRGHQYLT-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H]1C[C@@H](N(C)CC2OCCO2)CC[N@H+]1C ZINC000777595939 585716418 /nfs/dbraw/zinc/71/64/18/585716418.db2.gz HSCSEERYZJAVLD-QWRGUYRKSA-N 2 1 228.336 0.774 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339869 585751469 /nfs/dbraw/zinc/75/14/69/585751469.db2.gz GFYUGOIOJQFNEO-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000779404893 585753565 /nfs/dbraw/zinc/75/35/65/585753565.db2.gz MOHLAPZTZSZWFN-QWHCGFSZSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788477577 585925440 /nfs/dbraw/zinc/92/54/40/585925440.db2.gz XQTZIKLLBUFIAD-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788477577 585925441 /nfs/dbraw/zinc/92/54/41/585925441.db2.gz XQTZIKLLBUFIAD-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[N@H+]1C ZINC000793576193 586023327 /nfs/dbraw/zinc/02/33/27/586023327.db2.gz YPKADUPNSGHNDS-SNVBAGLBSA-N 2 1 236.319 0.505 20 0 BCADMP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC000794953046 586057968 /nfs/dbraw/zinc/05/79/68/586057968.db2.gz HSKRMKASHJPYOJ-CHWSQXEVSA-N 2 1 223.364 0.718 20 0 BCADMP COC(=O)[C@H]1[C@@H]2C[N@H+](CCCn3ccnc3)C[C@@H]21 ZINC000794981400 586061306 /nfs/dbraw/zinc/06/13/06/586061306.db2.gz CQLBSSNIFQVAEL-GDNZZTSVSA-N 2 1 249.314 0.624 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140556 586069189 /nfs/dbraw/zinc/06/91/89/586069189.db2.gz OVTQZSSHOUOQMN-NWDGAFQWSA-N 2 1 235.331 0.973 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140557 586069231 /nfs/dbraw/zinc/06/92/31/586069231.db2.gz OVTQZSSHOUOQMN-RYUDHWBXSA-N 2 1 235.331 0.973 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1C ZINC000843081403 586238079 /nfs/dbraw/zinc/23/80/79/586238079.db2.gz RMEMLNQYSINLTM-YPMHNXCESA-N 2 1 238.331 0.198 20 0 BCADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000816611660 586743460 /nfs/dbraw/zinc/74/34/60/586743460.db2.gz VBGZNGHKEZKWEE-SNVBAGLBSA-N 2 1 246.318 0.538 20 0 BCADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000816611660 586743461 /nfs/dbraw/zinc/74/34/61/586743461.db2.gz VBGZNGHKEZKWEE-SNVBAGLBSA-N 2 1 246.318 0.538 20 0 BCADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000816611659 586743927 /nfs/dbraw/zinc/74/39/27/586743927.db2.gz VBGZNGHKEZKWEE-JTQLQIEISA-N 2 1 246.318 0.538 20 0 BCADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000816611659 586743928 /nfs/dbraw/zinc/74/39/28/586743928.db2.gz VBGZNGHKEZKWEE-JTQLQIEISA-N 2 1 246.318 0.538 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888520 586831776 /nfs/dbraw/zinc/83/17/76/586831776.db2.gz HGLLXMXHQMHZAD-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888520 586831778 /nfs/dbraw/zinc/83/17/78/586831778.db2.gz HGLLXMXHQMHZAD-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@@H](N[C@H]1CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890756 586833219 /nfs/dbraw/zinc/83/32/19/586833219.db2.gz YMMVWWHRWSOOEM-GRYCIOLGSA-N 2 1 211.353 0.811 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000818586190 586903878 /nfs/dbraw/zinc/90/38/78/586903878.db2.gz TWDTXQXHIUUXRZ-YUMQZZPRSA-N 2 1 247.289 0.050 20 0 BCADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000818986015 586919841 /nfs/dbraw/zinc/91/98/41/586919841.db2.gz CRBDMWNLINLPEN-JHJVBQTASA-N 2 1 240.347 0.210 20 0 BCADMP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000818986015 586919842 /nfs/dbraw/zinc/91/98/42/586919842.db2.gz CRBDMWNLINLPEN-JHJVBQTASA-N 2 1 240.347 0.210 20 0 BCADMP C[C@H]([NH2+]CCS(C)(=O)=O)C1=CC[N@H+](C)CC1 ZINC000819219448 586940031 /nfs/dbraw/zinc/94/00/31/586940031.db2.gz DSPYAYQNDDBYCM-JTQLQIEISA-N 2 1 246.376 0.271 20 0 BCADMP C[C@H]([NH2+]CCS(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000819219448 586940034 /nfs/dbraw/zinc/94/00/34/586940034.db2.gz DSPYAYQNDDBYCM-JTQLQIEISA-N 2 1 246.376 0.271 20 0 BCADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000820295808 587042088 /nfs/dbraw/zinc/04/20/88/587042088.db2.gz OEVCGGFVXMFQQQ-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000820295808 587042089 /nfs/dbraw/zinc/04/20/89/587042089.db2.gz OEVCGGFVXMFQQQ-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP CN(C)C[C@@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000827919982 587409792 /nfs/dbraw/zinc/40/97/92/587409792.db2.gz RWNASUIBAJGPBJ-IINYFYTJSA-N 2 1 218.366 0.248 20 0 BCADMP CN(C)C[C@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000827919983 587410005 /nfs/dbraw/zinc/41/00/05/587410005.db2.gz RWNASUIBAJGPBJ-QMTHXVAHSA-N 2 1 218.366 0.248 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827984066 587415227 /nfs/dbraw/zinc/41/52/27/587415227.db2.gz CQGUXVMAQTYMJN-LLVKDONJSA-N 2 1 240.282 0.009 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](C)C[NH3+] ZINC000828965377 587476534 /nfs/dbraw/zinc/47/65/34/587476534.db2.gz KKRAEPCJIXFQEH-JTQLQIEISA-N 2 1 238.335 0.718 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1C ZINC000830463204 587551836 /nfs/dbraw/zinc/55/18/36/587551836.db2.gz LHDYPEXRVQJWBU-CKYFFXLPSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971439 587640350 /nfs/dbraw/zinc/64/03/50/587640350.db2.gz XLUXXLKJWQKWJW-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970604 587640522 /nfs/dbraw/zinc/64/05/22/587640522.db2.gz JJTZXWCULULILF-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971462 587640753 /nfs/dbraw/zinc/64/07/53/587640753.db2.gz XXJNZRAGARWUHD-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971148 587640906 /nfs/dbraw/zinc/64/09/06/587640906.db2.gz STNYKUBLYKDOPP-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH3+] ZINC000832231404 587651677 /nfs/dbraw/zinc/65/16/77/587651677.db2.gz HMICOBVOWQWGQG-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000832240985 587652235 /nfs/dbraw/zinc/65/22/35/587652235.db2.gz VIWNSQLDGHWMPV-LLVKDONJSA-N 2 1 236.319 0.531 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000834419657 587754967 /nfs/dbraw/zinc/75/49/67/587754967.db2.gz FJUXZKHCMRPNNX-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CC[NH3+] ZINC000834452142 587755284 /nfs/dbraw/zinc/75/52/84/587755284.db2.gz GQCSCARFTLHYEX-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000834608799 587760628 /nfs/dbraw/zinc/76/06/28/587760628.db2.gz SDSRFCAXZUHWHY-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000841007034 587934714 /nfs/dbraw/zinc/93/47/14/587934714.db2.gz LVXHGOHZBGGRMR-SNVBAGLBSA-N 2 1 214.309 0.563 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000841007034 587934716 /nfs/dbraw/zinc/93/47/16/587934716.db2.gz LVXHGOHZBGGRMR-SNVBAGLBSA-N 2 1 214.309 0.563 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1CCOC1=O ZINC000842476424 588029978 /nfs/dbraw/zinc/02/99/78/588029978.db2.gz ODMIUDVDETWTNW-OUAUKWLOSA-N 2 1 241.335 0.415 20 0 BCADMP Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000843047145 588076444 /nfs/dbraw/zinc/07/64/44/588076444.db2.gz GWAINSFXESSPIV-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000843047145 588076446 /nfs/dbraw/zinc/07/64/46/588076446.db2.gz GWAINSFXESSPIV-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000843081079 588080061 /nfs/dbraw/zinc/08/00/61/588080061.db2.gz OOBPWJVVWDNQBK-SKDRFNHKSA-N 2 1 242.294 0.029 20 0 BCADMP FC(F)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000843119608 588083999 /nfs/dbraw/zinc/08/39/99/588083999.db2.gz VKQBAYKQONGYHC-JTQLQIEISA-N 2 1 234.290 0.952 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000843356611 588103896 /nfs/dbraw/zinc/10/38/96/588103896.db2.gz YQSNNJPBJHGSGE-CHWSQXEVSA-N 3 1 243.395 0.944 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000843356611 588103898 /nfs/dbraw/zinc/10/38/98/588103898.db2.gz YQSNNJPBJHGSGE-CHWSQXEVSA-N 3 1 243.395 0.944 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000843356614 588103981 /nfs/dbraw/zinc/10/39/81/588103981.db2.gz YQSNNJPBJHGSGE-STQMWFEESA-N 3 1 243.395 0.944 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000843356614 588103982 /nfs/dbraw/zinc/10/39/82/588103982.db2.gz YQSNNJPBJHGSGE-STQMWFEESA-N 3 1 243.395 0.944 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000843469942 588113129 /nfs/dbraw/zinc/11/31/29/588113129.db2.gz BXCVPLBACRKYRU-VHSXEESVSA-N 2 1 238.335 0.860 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000844178339 588172067 /nfs/dbraw/zinc/17/20/67/588172067.db2.gz PKSXADYSJWHLBZ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000844175160 588172221 /nfs/dbraw/zinc/17/22/21/588172221.db2.gz BSERAGHKKXYGRD-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844178338 588172259 /nfs/dbraw/zinc/17/22/59/588172259.db2.gz PKRIHSBXQPDOGP-ZYHUDNBSSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H](CCO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000844448109 588194833 /nfs/dbraw/zinc/19/48/33/588194833.db2.gz TUKURFFYXIAYNL-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](CCO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000844448109 588194834 /nfs/dbraw/zinc/19/48/34/588194834.db2.gz TUKURFFYXIAYNL-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CCCCCC[NH3+] ZINC000846221309 588261483 /nfs/dbraw/zinc/26/14/83/588261483.db2.gz WOEKCAKUJIKNSI-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+](C)C ZINC000848996565 588422788 /nfs/dbraw/zinc/42/27/88/588422788.db2.gz FWKFTTKZQUDKEX-VIFPVBQESA-N 2 1 230.381 0.510 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000848980967 588423781 /nfs/dbraw/zinc/42/37/81/588423781.db2.gz NEDUDQMBEIPJNI-SNVBAGLBSA-N 2 1 210.325 0.701 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000848987664 588426526 /nfs/dbraw/zinc/42/65/26/588426526.db2.gz OKAYMRZVOGLRFM-NSHDSACASA-N 2 1 242.367 0.479 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848992601 588427933 /nfs/dbraw/zinc/42/79/33/588427933.db2.gz MMVPWGWWFHQGEX-JTQLQIEISA-N 2 1 210.325 0.558 20 0 BCADMP CCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000848994473 588428334 /nfs/dbraw/zinc/42/83/34/588428334.db2.gz KUZFBHFMRNYCSB-LLVKDONJSA-N 2 1 241.383 0.004 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996627 588428981 /nfs/dbraw/zinc/42/89/81/588428981.db2.gz LEZJRFOYYMOCNK-DTWKUNHWSA-N 2 1 216.329 0.085 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848997353 588429590 /nfs/dbraw/zinc/42/95/90/588429590.db2.gz BEQJLUJLSPFDSF-NSHDSACASA-N 2 1 224.352 0.948 20 0 BCADMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849001963 588431110 /nfs/dbraw/zinc/43/11/10/588431110.db2.gz WCINNQSCZPHDGG-NSHDSACASA-N 2 1 240.351 0.327 20 0 BCADMP CCCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000849004060 588431859 /nfs/dbraw/zinc/43/18/59/588431859.db2.gz WIVFFHYNVVURAM-NSHDSACASA-N 2 1 244.408 0.948 20 0 BCADMP CN1CCC[NH+]=C1N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020367 588438611 /nfs/dbraw/zinc/43/86/11/588438611.db2.gz AFODESDJQOZWHD-JTQLQIEISA-N 2 1 233.319 0.479 20 0 BCADMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)NC1CCC1 ZINC000849038464 588446145 /nfs/dbraw/zinc/44/61/45/588446145.db2.gz PCZYKLKZCSRIRS-UHFFFAOYSA-N 2 1 240.351 0.110 20 0 BCADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000849041865 588448353 /nfs/dbraw/zinc/44/83/53/588448353.db2.gz YNEMIYDCAYHSNB-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP C[NH+](C)CCn1cc(C[NH+]2CCCC2)nn1 ZINC000849136200 588453729 /nfs/dbraw/zinc/45/37/29/588453729.db2.gz DQUVZLRZPPBYPY-UHFFFAOYSA-N 2 1 223.324 0.436 20 0 BCADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[NH2+]C2)s1 ZINC000849349709 588474258 /nfs/dbraw/zinc/47/42/58/588474258.db2.gz FRZPIAQHICWDID-VIFPVBQESA-N 2 1 240.376 0.656 20 0 BCADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000851732268 588619404 /nfs/dbraw/zinc/61/94/04/588619404.db2.gz NFNFBJBVVWKHOP-WHOHXGKFSA-N 2 1 210.321 0.705 20 0 BCADMP C[N@@H+](C[C@@H]1CNCCO1)C1CCC([NH3+])CC1 ZINC000852741625 588698313 /nfs/dbraw/zinc/69/83/13/588698313.db2.gz XBZVHHRDVMNMNY-MCIGGMRASA-N 2 1 227.352 0.177 20 0 BCADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000852746637 588698827 /nfs/dbraw/zinc/69/88/27/588698827.db2.gz MYXJMSWUSSUMOD-GRYCIOLGSA-N 2 1 212.337 0.676 20 0 BCADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000852746637 588698828 /nfs/dbraw/zinc/69/88/28/588698828.db2.gz MYXJMSWUSSUMOD-GRYCIOLGSA-N 2 1 212.337 0.676 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000852747015 588699260 /nfs/dbraw/zinc/69/92/60/588699260.db2.gz UNOWJWFYPBZYFW-HTQZYQBOSA-N 2 1 208.252 0.895 20 0 BCADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CNCCO3)C2)nc1 ZINC000852750224 588699959 /nfs/dbraw/zinc/69/99/59/588699959.db2.gz ONISAQTVKNWIBH-QWHCGFSZSA-N 2 1 247.342 0.859 20 0 BCADMP c1ccc([C@H]2CCN(C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750224 588699960 /nfs/dbraw/zinc/69/99/60/588699960.db2.gz ONISAQTVKNWIBH-QWHCGFSZSA-N 2 1 247.342 0.859 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CCCCCCO ZINC000852755896 588700460 /nfs/dbraw/zinc/70/04/60/588700460.db2.gz KNODSTXKFOEDOD-UHFFFAOYSA-N 2 1 212.337 0.962 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755229 588700650 /nfs/dbraw/zinc/70/06/50/588700650.db2.gz ICVYRBDNUDDAEJ-JTQLQIEISA-N 2 1 227.308 0.122 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755229 588700651 /nfs/dbraw/zinc/70/06/51/588700651.db2.gz ICVYRBDNUDDAEJ-JTQLQIEISA-N 2 1 227.308 0.122 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(NC(=O)OC)CC1 ZINC000852761271 588701044 /nfs/dbraw/zinc/70/10/44/588701044.db2.gz JFQXASQTAITESD-UHFFFAOYSA-N 2 1 229.324 0.416 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864267 588709077 /nfs/dbraw/zinc/70/90/77/588709077.db2.gz QROOERNIMHCFPU-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000861574077 589168973 /nfs/dbraw/zinc/16/89/73/589168973.db2.gz OLWNGCGRCYNHKY-UWVGGRQHSA-N 2 1 242.367 0.458 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861600210 589169409 /nfs/dbraw/zinc/16/94/09/589169409.db2.gz KCDGEXMQMCVTME-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000863542357 589297091 /nfs/dbraw/zinc/29/70/91/589297091.db2.gz QCGOJDWLQCEWBC-ZMLRMANQSA-N 2 1 238.331 0.978 20 0 BCADMP C[C@H]1CC[C@H]([NH2+]C2CCN(C=O)CC2)C[NH2+]1 ZINC000863548523 589298263 /nfs/dbraw/zinc/29/82/63/589298263.db2.gz YVFGYDBGNHEPGV-JQWIXIFHSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]([NH3+])CN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000863567347 589299492 /nfs/dbraw/zinc/29/94/92/589299492.db2.gz CRNAENBPRIICJR-SDDRHHMPSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@H]([NH3+])CN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000863567347 589299493 /nfs/dbraw/zinc/29/94/93/589299493.db2.gz CRNAENBPRIICJR-SDDRHHMPSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000863567348 589299538 /nfs/dbraw/zinc/29/95/38/589299538.db2.gz CRNAENBPRIICJR-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000863567348 589299539 /nfs/dbraw/zinc/29/95/39/589299539.db2.gz CRNAENBPRIICJR-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(N)nn2)C1 ZINC000864055864 589336366 /nfs/dbraw/zinc/33/63/66/589336366.db2.gz ZPIGCQARMTYSAM-SNVBAGLBSA-N 2 1 249.362 0.927 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000864462278 589369625 /nfs/dbraw/zinc/36/96/25/589369625.db2.gz LBMPQLMIDSSURE-GXSJLCMTSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000864468156 589372209 /nfs/dbraw/zinc/37/22/09/589372209.db2.gz BNJZYZGNRHKKEL-RKDXNWHRSA-N 2 1 210.325 0.603 20 0 BCADMP CC(C)(O)C[N@@H+]1CC[C@H](NCc2cc[nH]c2)C1 ZINC000865660355 589455021 /nfs/dbraw/zinc/45/50/21/589455021.db2.gz YQNFKPYYBXKLEJ-LBPRGKRZSA-N 2 1 237.347 0.950 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@H](NCc2cc[nH]c2)C1 ZINC000865660355 589455022 /nfs/dbraw/zinc/45/50/22/589455022.db2.gz YQNFKPYYBXKLEJ-LBPRGKRZSA-N 2 1 237.347 0.950 20 0 BCADMP C[N@@H+](CCC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000866661459 589509009 /nfs/dbraw/zinc/50/90/09/589509009.db2.gz QDFSRFUTEBBRHF-UHFFFAOYSA-N 2 1 235.331 0.609 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866683543 589511355 /nfs/dbraw/zinc/51/13/55/589511355.db2.gz DELSXZGYEPRHCQ-UHFFFAOYSA-N 2 1 241.379 0.978 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866698921 589512988 /nfs/dbraw/zinc/51/29/88/589512988.db2.gz FUXCRPHISUWOKG-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866703669 589513633 /nfs/dbraw/zinc/51/36/33/589513633.db2.gz OAPNEHQAZLVALR-JTQLQIEISA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709393 589514091 /nfs/dbraw/zinc/51/40/91/589514091.db2.gz XEBJTYGBDYMSCV-JOYOIKCWSA-N 2 1 227.352 0.557 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709390 589514290 /nfs/dbraw/zinc/51/42/90/589514290.db2.gz XEBJTYGBDYMSCV-BXKDBHETSA-N 2 1 227.352 0.557 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871537 589693238 /nfs/dbraw/zinc/69/32/38/589693238.db2.gz DPDJHYZWLALFHX-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874133 589693590 /nfs/dbraw/zinc/69/35/90/589693590.db2.gz UYDDPGNVGBUFLM-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000870892817 589695078 /nfs/dbraw/zinc/69/50/78/589695078.db2.gz MPHLRUYFWIARJI-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870941289 589699772 /nfs/dbraw/zinc/69/97/72/589699772.db2.gz UFBIPMIKZYOXIO-UHFFFAOYSA-N 2 1 247.289 0.229 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967528 589702806 /nfs/dbraw/zinc/70/28/06/589702806.db2.gz ZHNISZDMLMQSDC-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981483 589703037 /nfs/dbraw/zinc/70/30/37/589703037.db2.gz IXTCKXWOFKATSV-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981528 589704873 /nfs/dbraw/zinc/70/48/73/589704873.db2.gz JGKAZQOBRMKGBL-SDDRHHMPSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@H]21 ZINC000870980761 589704909 /nfs/dbraw/zinc/70/49/09/589704909.db2.gz BPBOLITWLAFOQZ-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982961 589705335 /nfs/dbraw/zinc/70/53/35/589705335.db2.gz QZOSNTHVKKVORR-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000871154539 589740123 /nfs/dbraw/zinc/74/01/23/589740123.db2.gz GUXAOUSCLLUYCP-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP COCCN(C)C(=[NH2+])NCCn1cc[nH+]c1C ZINC000871603793 589770019 /nfs/dbraw/zinc/77/00/19/589770019.db2.gz HTHPIFMVJXTFAD-UHFFFAOYSA-N 2 1 239.323 0.294 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000871603952 589770932 /nfs/dbraw/zinc/77/09/32/589770932.db2.gz NSKFTIWSHNUBSC-VIFPVBQESA-N 2 1 216.329 0.039 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@@H+]1C ZINC000872140991 589877999 /nfs/dbraw/zinc/87/79/99/589877999.db2.gz HEHSZGVQWXEMCX-WRWGMCAJSA-N 2 1 228.336 0.209 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@H+]1C ZINC000872140991 589878004 /nfs/dbraw/zinc/87/80/04/589878004.db2.gz HEHSZGVQWXEMCX-WRWGMCAJSA-N 2 1 228.336 0.209 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(C)=O)CC1 ZINC000872146682 589885231 /nfs/dbraw/zinc/88/52/31/589885231.db2.gz UXWOGICYEKTUQM-GFCCVEGCSA-N 2 1 228.336 0.258 20 0 BCADMP O=C1CC2(CCC2)[N@@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000872156717 589885689 /nfs/dbraw/zinc/88/56/89/589885689.db2.gz CPZOQJCPUTWFDM-LLVKDONJSA-N 2 1 237.347 0.341 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123989365 589889527 /nfs/dbraw/zinc/88/95/27/589889527.db2.gz WGMDBGRMXGWKEA-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP CC[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000019385782 589896164 /nfs/dbraw/zinc/89/61/64/589896164.db2.gz QTSVRMHQJWZKJY-UHFFFAOYSA-N 2 1 247.342 0.923 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124015999 589904610 /nfs/dbraw/zinc/90/46/10/589904610.db2.gz DAKMPFJNJDCSRM-LLVKDONJSA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+]CCCCCCNCC12CC(C1)C[NH2+]2 ZINC000873213490 589997161 /nfs/dbraw/zinc/99/71/61/589997161.db2.gz FMGCVUIFOGJWJM-UHFFFAOYSA-N 2 1 211.353 0.847 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213657 589997178 /nfs/dbraw/zinc/99/71/78/589997178.db2.gz LGGFECDYNIREGS-GMTAPVOTSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213657 589997179 /nfs/dbraw/zinc/99/71/79/589997179.db2.gz LGGFECDYNIREGS-GMTAPVOTSA-N 2 1 249.362 0.864 20 0 BCADMP C1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C[NH2+]1 ZINC000873215559 589997920 /nfs/dbraw/zinc/99/79/20/589997920.db2.gz CQEDJGIERUBJER-KUYXLPFXSA-N 2 1 208.305 0.361 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000873221846 589999608 /nfs/dbraw/zinc/99/96/08/589999608.db2.gz RNEAODFPDDCLAS-DKNRTOFZSA-N 2 1 235.375 0.764 20 0 BCADMP C(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229788 590001897 /nfs/dbraw/zinc/00/18/97/590001897.db2.gz FZLILNFPHUWCEF-QWHCGFSZSA-N 2 1 223.364 0.860 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873236647 590003952 /nfs/dbraw/zinc/00/39/52/590003952.db2.gz ZAZZQXRAFRJVSD-UTUOFQBUSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000873236647 590003955 /nfs/dbraw/zinc/00/39/55/590003955.db2.gz ZAZZQXRAFRJVSD-UTUOFQBUSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873238870 590005835 /nfs/dbraw/zinc/00/58/35/590005835.db2.gz IOHDGPKSHNFSTI-VWBGDHHKSA-N 2 1 236.359 0.997 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000873248874 590007707 /nfs/dbraw/zinc/00/77/07/590007707.db2.gz GEBSQPHMQVQRCN-PHIMTYICSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000873254812 590010164 /nfs/dbraw/zinc/01/01/64/590010164.db2.gz BEDGFMGGTHTRSE-FIQHERPVSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000873254812 590010167 /nfs/dbraw/zinc/01/01/67/590010167.db2.gz BEDGFMGGTHTRSE-FIQHERPVSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272405 590016318 /nfs/dbraw/zinc/01/63/18/590016318.db2.gz RVEKBRDWAVUCFY-GVXVVHGQSA-N 3 1 225.380 0.962 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+]Cc1nonc1C ZINC000873295498 590023857 /nfs/dbraw/zinc/02/38/57/590023857.db2.gz IQXFCQCHPMBPRR-VIFPVBQESA-N 2 1 228.296 0.222 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[NH+]1CCCC1 ZINC000874256985 590099515 /nfs/dbraw/zinc/09/95/15/590099515.db2.gz RECPVDRHRASHMF-UHFFFAOYSA-N 2 1 236.319 0.404 20 0 BCADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000874325802 590103386 /nfs/dbraw/zinc/10/33/86/590103386.db2.gz DGPKRDCABDUINB-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874389648 590106975 /nfs/dbraw/zinc/10/69/75/590106975.db2.gz OATAZHQPOFFBEN-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876706812 590232135 /nfs/dbraw/zinc/23/21/35/590232135.db2.gz HNLFEHCYNAYRRF-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734065 590234253 /nfs/dbraw/zinc/23/42/53/590234253.db2.gz OKJMZYRGKURZQU-AXFHLTTASA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000876748364 590237037 /nfs/dbraw/zinc/23/70/37/590237037.db2.gz CFWWBRSUVXSEHU-LBPRGKRZSA-N 2 1 239.363 0.880 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876750527 590237654 /nfs/dbraw/zinc/23/76/54/590237654.db2.gz WFQUVVRKDIKVHO-WDEREUQCSA-N 2 1 241.379 0.816 20 0 BCADMP C[NH+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876790175 590241634 /nfs/dbraw/zinc/24/16/34/590241634.db2.gz VKOBMQCPMSFOQB-ITKZLYELSA-N 2 1 237.347 0.316 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C)CC[N@H+]1C ZINC000876792922 590241870 /nfs/dbraw/zinc/24/18/70/590241870.db2.gz ZNFNFOFMEJNDKF-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876806034 590244304 /nfs/dbraw/zinc/24/43/04/590244304.db2.gz JFVSEFYHTOOPAJ-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876806036 590244467 /nfs/dbraw/zinc/24/44/67/590244467.db2.gz JFVSEFYHTOOPAJ-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876806037 590244532 /nfs/dbraw/zinc/24/45/32/590244532.db2.gz JFVSEFYHTOOPAJ-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876809784 590245291 /nfs/dbraw/zinc/24/52/91/590245291.db2.gz XFNYBLHRFDCZPQ-TYRPZCRBSA-N 2 1 247.289 0.252 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876809782 590245418 /nfs/dbraw/zinc/24/54/18/590245418.db2.gz XFNYBLHRFDCZPQ-CDAZIORVSA-N 2 1 247.289 0.252 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000876830777 590247201 /nfs/dbraw/zinc/24/72/01/590247201.db2.gz RNDHHFNDHWRSAM-LBPRGKRZSA-N 2 1 249.358 0.624 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH3+] ZINC000876830102 590247383 /nfs/dbraw/zinc/24/73/83/590247383.db2.gz AJXWCAZSJFULQC-VIFPVBQESA-N 2 1 224.308 0.470 20 0 BCADMP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[NH+](C)C ZINC000876851214 590249509 /nfs/dbraw/zinc/24/95/09/590249509.db2.gz FDTNJWCSNIVKTD-RKDXNWHRSA-N 2 1 249.305 0.392 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876869756 590251319 /nfs/dbraw/zinc/25/13/19/590251319.db2.gz DPBAFZXIXPOJIE-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1cnc[nH]1 ZINC000876882501 590253141 /nfs/dbraw/zinc/25/31/41/590253141.db2.gz JTIOERFAVGMCNV-FSIBCCDJSA-N 2 1 234.303 0.582 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081475 590279902 /nfs/dbraw/zinc/27/99/02/590279902.db2.gz CGNIGQKYXLSANW-OUAUKWLOSA-N 2 1 243.326 0.144 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103090 590283756 /nfs/dbraw/zinc/28/37/56/590283756.db2.gz QCEJSMGHHPQFCL-SNVBAGLBSA-N 2 1 238.335 0.777 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000877108739 590286253 /nfs/dbraw/zinc/28/62/53/590286253.db2.gz WGPSVCHVPPFBJD-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000877240949 590302246 /nfs/dbraw/zinc/30/22/46/590302246.db2.gz HFICKRKOBKWOAC-WHOHXGKFSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877244752 590303266 /nfs/dbraw/zinc/30/32/66/590303266.db2.gz NCRLQXRAPDSMAT-GMTAPVOTSA-N 2 1 225.336 0.182 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272931 590305407 /nfs/dbraw/zinc/30/54/07/590305407.db2.gz LTHRLDFXVSCJPB-NWDGAFQWSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386883 590321562 /nfs/dbraw/zinc/32/15/62/590321562.db2.gz ULQMDKBQGYVAMG-DGCLKSJQSA-N 2 1 248.330 0.592 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393445 590322019 /nfs/dbraw/zinc/32/20/19/590322019.db2.gz XUWBQPXYZCMKCV-WCQYABFASA-N 2 1 239.363 0.727 20 0 BCADMP COC(=O)C1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000877721291 590401023 /nfs/dbraw/zinc/40/10/23/590401023.db2.gz MPFQINZTIQEHDI-UHFFFAOYSA-N 2 1 226.320 0.622 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000878255095 590529752 /nfs/dbraw/zinc/52/97/52/590529752.db2.gz CRCFHPVETGDULC-UHFFFAOYSA-N 2 1 236.319 0.350 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000127135922 590574040 /nfs/dbraw/zinc/57/40/40/590574040.db2.gz VYODKBSPIUVPNU-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP Cn1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000878864034 590634925 /nfs/dbraw/zinc/63/49/25/590634925.db2.gz NIENAPCJPDGWQH-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP Cn1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000878864034 590634929 /nfs/dbraw/zinc/63/49/29/590634929.db2.gz NIENAPCJPDGWQH-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP CN(C/C=C\Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352746 590752391 /nfs/dbraw/zinc/75/23/91/590752391.db2.gz BIPSXMHSTXTRBL-ARJAWSKDSA-N 2 1 245.754 0.445 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569371 590807867 /nfs/dbraw/zinc/80/78/67/590807867.db2.gz OCFUKNDQTHTECY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569371 590807870 /nfs/dbraw/zinc/80/78/70/590807870.db2.gz OCFUKNDQTHTECY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569371 590807873 /nfs/dbraw/zinc/80/78/73/590807873.db2.gz OCFUKNDQTHTECY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569371 590807876 /nfs/dbraw/zinc/80/78/76/590807876.db2.gz OCFUKNDQTHTECY-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573570 590809488 /nfs/dbraw/zinc/80/94/88/590809488.db2.gz YVLTVLXNIAPHAE-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573570 590809508 /nfs/dbraw/zinc/80/95/08/590809508.db2.gz YVLTVLXNIAPHAE-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573570 590809514 /nfs/dbraw/zinc/80/95/14/590809514.db2.gz YVLTVLXNIAPHAE-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573570 590809519 /nfs/dbraw/zinc/80/95/19/590809519.db2.gz YVLTVLXNIAPHAE-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571267 590810013 /nfs/dbraw/zinc/81/00/13/590810013.db2.gz OIMIDCZOBCPXFZ-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571267 590810016 /nfs/dbraw/zinc/81/00/16/590810016.db2.gz OIMIDCZOBCPXFZ-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571267 590810017 /nfs/dbraw/zinc/81/00/17/590810017.db2.gz OIMIDCZOBCPXFZ-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571267 590810020 /nfs/dbraw/zinc/81/00/20/590810020.db2.gz OIMIDCZOBCPXFZ-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000879572446 590810885 /nfs/dbraw/zinc/81/08/85/590810885.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000879572446 590810887 /nfs/dbraw/zinc/81/08/87/590810887.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000879572446 590810888 /nfs/dbraw/zinc/81/08/88/590810888.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573569 590811555 /nfs/dbraw/zinc/81/15/55/590811555.db2.gz YVLTVLXNIAPHAE-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573569 590811562 /nfs/dbraw/zinc/81/15/62/590811562.db2.gz YVLTVLXNIAPHAE-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573569 590811569 /nfs/dbraw/zinc/81/15/69/590811569.db2.gz YVLTVLXNIAPHAE-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573569 590811574 /nfs/dbraw/zinc/81/15/74/590811574.db2.gz YVLTVLXNIAPHAE-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580008 590816844 /nfs/dbraw/zinc/81/68/44/590816844.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580008 590816847 /nfs/dbraw/zinc/81/68/47/590816847.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580008 590816850 /nfs/dbraw/zinc/81/68/50/590816850.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 2 1 244.404 0.736 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582028 590820447 /nfs/dbraw/zinc/82/04/47/590820447.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582028 590820450 /nfs/dbraw/zinc/82/04/50/590820450.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582028 590820456 /nfs/dbraw/zinc/82/04/56/590820456.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 2 1 228.336 0.020 20 0 BCADMP C[C@@H]1C[N@@H+](CCCO)CCN1c1cc[nH+]cc1 ZINC000880261395 590980449 /nfs/dbraw/zinc/98/04/49/590980449.db2.gz JTHWHJBSWFWPNN-GFCCVEGCSA-N 2 1 235.331 0.975 20 0 BCADMP C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473953 591053577 /nfs/dbraw/zinc/05/35/77/591053577.db2.gz QYHIDHFFQGEXCU-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP Cn1c[nH+]cc1CC[N@@H+]1CC=C[C@H]1CO ZINC000880492657 591071799 /nfs/dbraw/zinc/07/17/99/591071799.db2.gz UOUGUHNVHDBRBG-NSHDSACASA-N 2 1 207.277 0.195 20 0 BCADMP Cn1c[nH+]cc1CC[N@H+]1CC=C[C@H]1CO ZINC000880492657 591071803 /nfs/dbraw/zinc/07/18/03/591071803.db2.gz UOUGUHNVHDBRBG-NSHDSACASA-N 2 1 207.277 0.195 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC000882484645 591362719 /nfs/dbraw/zinc/36/27/19/591362719.db2.gz IZCJDEHQYHURKH-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000882484645 591362722 /nfs/dbraw/zinc/36/27/22/591362722.db2.gz IZCJDEHQYHURKH-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000882484645 591362726 /nfs/dbraw/zinc/36/27/26/591362726.db2.gz IZCJDEHQYHURKH-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CC)C1CC1 ZINC000882489808 591366367 /nfs/dbraw/zinc/36/63/67/591366367.db2.gz UYZILXDWCVNXOX-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CC)C1CC1 ZINC000882489808 591366371 /nfs/dbraw/zinc/36/63/71/591366371.db2.gz UYZILXDWCVNXOX-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CC[N@H+]1CC)C1CC1 ZINC000882489808 591366375 /nfs/dbraw/zinc/36/63/75/591366375.db2.gz UYZILXDWCVNXOX-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000882494976 591374423 /nfs/dbraw/zinc/37/44/23/591374423.db2.gz VEDUTWVPAIKICE-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC000882494976 591374427 /nfs/dbraw/zinc/37/44/27/591374427.db2.gz VEDUTWVPAIKICE-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000882494976 591374431 /nfs/dbraw/zinc/37/44/31/591374431.db2.gz VEDUTWVPAIKICE-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000883037683 591524002 /nfs/dbraw/zinc/52/40/02/591524002.db2.gz HQQQXSBZULQXNS-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cnnn1 ZINC000883424488 591658393 /nfs/dbraw/zinc/65/83/93/591658393.db2.gz UJSAJDWJJJSESY-FGWVZKOKSA-N 2 1 236.323 0.017 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cnnn1 ZINC000883424488 591658398 /nfs/dbraw/zinc/65/83/98/591658398.db2.gz UJSAJDWJJJSESY-FGWVZKOKSA-N 2 1 236.323 0.017 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424435 591659417 /nfs/dbraw/zinc/65/94/17/591659417.db2.gz RYDKPTIHGVEXNR-AGIUHOORSA-N 2 1 243.370 0.960 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000883447054 591670805 /nfs/dbraw/zinc/67/08/05/591670805.db2.gz RNTZUQUGSMQYEO-QWRGUYRKSA-N 2 1 218.316 0.638 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883461029 591673836 /nfs/dbraw/zinc/67/38/36/591673836.db2.gz MKYYDODJZWPLHJ-QJPTWQEYSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132905859 591747093 /nfs/dbraw/zinc/74/70/93/591747093.db2.gz SEPUZIDVGRGBDW-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ncoc1C[NH3+] ZINC000884272853 591889658 /nfs/dbraw/zinc/88/96/58/591889658.db2.gz DWNBIIKUHCOUQX-YUMQZZPRSA-N 2 1 238.291 0.004 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884325289 591904796 /nfs/dbraw/zinc/90/47/96/591904796.db2.gz MZNDRJZWMMDTHB-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357415 591911872 /nfs/dbraw/zinc/91/18/72/591911872.db2.gz XTFOVFRROTZUBN-OUAUKWLOSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358761 591912711 /nfs/dbraw/zinc/91/27/11/591912711.db2.gz XOLXHRSONUOCBH-UWVGGRQHSA-N 2 1 227.352 0.569 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358334 591912754 /nfs/dbraw/zinc/91/27/54/591912754.db2.gz OZDOGFVPWOYYEJ-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884366325 591917639 /nfs/dbraw/zinc/91/76/39/591917639.db2.gz XTFOVFRROTZUBN-DCAQKATOSA-N 2 1 239.363 0.713 20 0 BCADMP CO[C@@H](C[NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000884380480 591920895 /nfs/dbraw/zinc/92/08/95/591920895.db2.gz FGOQIAXULGZSDT-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP Cc1nccc(NCC[N@@H+](C)CCO)n1 ZINC000884824920 592017769 /nfs/dbraw/zinc/01/77/69/592017769.db2.gz VVVHUMJZVIWVDM-UHFFFAOYSA-N 2 1 210.281 0.121 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828194 592352075 /nfs/dbraw/zinc/35/20/75/592352075.db2.gz ZABDFWCUDOHTHV-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839913 592361350 /nfs/dbraw/zinc/36/13/50/592361350.db2.gz OPCWVGPRIMSHBO-JHJVBQTASA-N 2 1 240.347 0.463 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841375 592362293 /nfs/dbraw/zinc/36/22/93/592362293.db2.gz JLPSCWLKLLQGJK-RHYQMDGZSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841375 592362297 /nfs/dbraw/zinc/36/22/97/592362297.db2.gz JLPSCWLKLLQGJK-RHYQMDGZSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000886841886 592362850 /nfs/dbraw/zinc/36/28/50/592362850.db2.gz ZKBDVKWXQLZVHZ-FQUUOJAGSA-N 2 1 236.359 0.954 20 0 BCADMP c1nnn2c1C[N@@H+](CCC1CC[NH2+]CC1)CCC2 ZINC000886857825 592369300 /nfs/dbraw/zinc/36/93/00/592369300.db2.gz BNHYHMHHFSVYSF-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874313 592376406 /nfs/dbraw/zinc/37/64/06/592376406.db2.gz LKBGHJALSHZIMU-DGCLKSJQSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874313 592376411 /nfs/dbraw/zinc/37/64/11/592376411.db2.gz LKBGHJALSHZIMU-DGCLKSJQSA-N 2 1 239.363 0.716 20 0 BCADMP O=C1NCC[C@H]1[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874041 592376937 /nfs/dbraw/zinc/37/69/37/592376937.db2.gz FDHXWBYKVNIGKO-YPMHNXCESA-N 2 1 237.347 0.341 20 0 BCADMP O=C1NCC[C@H]1[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874041 592376941 /nfs/dbraw/zinc/37/69/41/592376941.db2.gz FDHXWBYKVNIGKO-YPMHNXCESA-N 2 1 237.347 0.341 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871837 592378035 /nfs/dbraw/zinc/37/80/35/592378035.db2.gz CFOYJGXWJVNTMH-ZDUSSCGKSA-N 3 1 241.379 0.427 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871837 592378040 /nfs/dbraw/zinc/37/80/40/592378040.db2.gz CFOYJGXWJVNTMH-ZDUSSCGKSA-N 2 1 241.379 0.427 20 0 BCADMP COC[C@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCOC1 ZINC000886915832 592395435 /nfs/dbraw/zinc/39/54/35/592395435.db2.gz KQZRLEQNRUASHC-JQWIXIFHSA-N 2 1 239.319 0.941 20 0 BCADMP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000300058118 592502602 /nfs/dbraw/zinc/50/26/02/592502602.db2.gz VLQMYTAMUGUPPC-AAEUAGOBSA-N 2 1 223.364 0.907 20 0 BCADMP C[C@H]([NH3+])Cn1cc(C[NH+]2CCC(C)CC2)nn1 ZINC000887417610 592503737 /nfs/dbraw/zinc/50/37/37/592503737.db2.gz RYRWTGVBLNGEIM-NSHDSACASA-N 2 1 237.351 0.857 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302716088 592553414 /nfs/dbraw/zinc/55/34/14/592553414.db2.gz ZIHBCIXEAHSLAX-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000890065108 592675017 /nfs/dbraw/zinc/67/50/17/592675017.db2.gz ACVGBTDBFAVMME-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+](C)C ZINC000890068393 592676620 /nfs/dbraw/zinc/67/66/20/592676620.db2.gz QCJPOZLLGJJBDL-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000925706908 634393878 /nfs/dbraw/zinc/39/38/78/634393878.db2.gz OWYSHNIRKHYNGH-WDEREUQCSA-N 2 1 237.351 0.478 20 0 BCADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215672 634457571 /nfs/dbraw/zinc/45/75/71/634457571.db2.gz KWFTUUICERKPAX-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000925723182 634463291 /nfs/dbraw/zinc/46/32/91/634463291.db2.gz OIMJNYSNROIZNQ-IJLUTSLNSA-N 2 1 211.353 0.811 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740632 634488811 /nfs/dbraw/zinc/48/88/11/634488811.db2.gz YUWMSCPESTURFD-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740632 634488821 /nfs/dbraw/zinc/48/88/21/634488821.db2.gz YUWMSCPESTURFD-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125546165 634539004 /nfs/dbraw/zinc/53/90/04/634539004.db2.gz WFYKQKJPKCGMGT-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000227433037 634541024 /nfs/dbraw/zinc/54/10/24/634541024.db2.gz DAQADASJTLAFNZ-GWCFXTLKSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925792299 635323671 /nfs/dbraw/zinc/32/36/71/635323671.db2.gz FHCDQTKHVAGGAQ-YVECIDJPSA-N 2 1 225.380 0.962 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196204 635469975 /nfs/dbraw/zinc/46/99/75/635469975.db2.gz VESSJJYNVOZTFD-OUAUKWLOSA-N 2 1 200.326 0.959 20 0 BCADMP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])CS(C)(=O)=O ZINC000925832906 635475899 /nfs/dbraw/zinc/47/58/99/635475899.db2.gz QSCIKKIJKKBYOM-UWVGGRQHSA-N 2 1 248.392 0.527 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000250883428 635503324 /nfs/dbraw/zinc/50/33/24/635503324.db2.gz VYKKFQFUNNOQQK-JHJVBQTASA-N 2 1 224.348 0.974 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000250883428 635503333 /nfs/dbraw/zinc/50/33/33/635503333.db2.gz VYKKFQFUNNOQQK-JHJVBQTASA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925841231 635507110 /nfs/dbraw/zinc/50/71/10/635507110.db2.gz ZQFKKKJSTQAAJO-HBNTYKKESA-N 2 1 225.336 0.243 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251524293 635567238 /nfs/dbraw/zinc/56/72/38/635567238.db2.gz JRAGREYLGPEALV-MXWKQRLJSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251524293 635567248 /nfs/dbraw/zinc/56/72/48/635567248.db2.gz JRAGREYLGPEALV-MXWKQRLJSA-N 2 1 216.325 0.195 20 0 BCADMP C[C@@H]([NH2+]CCOC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000925877608 635602717 /nfs/dbraw/zinc/60/27/17/635602717.db2.gz KIPBNLKTOOGRBF-DGCLKSJQSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880407 635607694 /nfs/dbraw/zinc/60/76/94/635607694.db2.gz RDGZQYNQTABQBK-USZNOCQGSA-N 3 1 211.353 0.844 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(N)=O)C2)CC1 ZINC000891439880 631281725 /nfs/dbraw/zinc/28/17/25/631281725.db2.gz GKSMALQPWAHSHA-LLVKDONJSA-N 2 1 225.336 0.135 20 0 BCADMP CC(=O)NCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734743 631495762 /nfs/dbraw/zinc/49/57/62/631495762.db2.gz CKVFMMNLGYQIPW-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP CC(=O)NCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734743 631495750 /nfs/dbraw/zinc/49/57/50/631495750.db2.gz CKVFMMNLGYQIPW-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP CC(=O)NCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734743 631495753 /nfs/dbraw/zinc/49/57/53/631495753.db2.gz CKVFMMNLGYQIPW-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924871894 635672273 /nfs/dbraw/zinc/67/22/73/635672273.db2.gz GZJHEKPXPIDVAN-JTQLQIEISA-N 2 1 236.319 0.306 20 0 BCADMP CC(C)[N@@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000308841167 631690804 /nfs/dbraw/zinc/69/08/04/631690804.db2.gz YHFNGLFBUJEAAL-SNVBAGLBSA-N 2 1 212.341 0.654 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000051691833 631868034 /nfs/dbraw/zinc/86/80/34/631868034.db2.gz XFDYYVSENXSVCP-SNVBAGLBSA-N 2 1 224.352 0.993 20 0 BCADMP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+]1C ZINC000309167655 631926312 /nfs/dbraw/zinc/92/63/12/631926312.db2.gz ABKNWAOSAUZZIC-UWVGGRQHSA-N 2 1 235.322 0.995 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000309301663 631993939 /nfs/dbraw/zinc/99/39/39/631993939.db2.gz YOFBKJGVKYLCSY-UHFFFAOYSA-N 2 1 223.324 0.247 20 0 BCADMP CC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251091511 635703455 /nfs/dbraw/zinc/70/34/55/635703455.db2.gz OSLGNZOSDWCOQL-MBYGNEARSA-N 2 1 212.337 0.972 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251868815 635706108 /nfs/dbraw/zinc/70/61/08/635706108.db2.gz TWKUMJQEBWHTBZ-NEPJUHHUSA-N 2 1 230.352 0.566 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251860232 635706483 /nfs/dbraw/zinc/70/64/83/635706483.db2.gz SRLZDYYUQCUDMJ-HLTSFMKQSA-N 2 1 240.269 0.969 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251860232 635706487 /nfs/dbraw/zinc/70/64/87/635706487.db2.gz SRLZDYYUQCUDMJ-HLTSFMKQSA-N 2 1 240.269 0.969 20 0 BCADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086556 632124795 /nfs/dbraw/zinc/12/47/95/632124795.db2.gz PELUPSZZGRUGHA-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000260224813 632633196 /nfs/dbraw/zinc/63/31/96/632633196.db2.gz WDMOGTLGPISZAF-GFCCVEGCSA-N 2 1 240.347 0.823 20 0 BCADMP [NH3+]CC1CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000310299750 632716873 /nfs/dbraw/zinc/71/68/73/632716873.db2.gz UCOOWBHLJSLPIX-ZDUSSCGKSA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000310299750 632716875 /nfs/dbraw/zinc/71/68/75/632716875.db2.gz UCOOWBHLJSLPIX-ZDUSSCGKSA-N 2 1 241.379 0.114 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310460384 632743712 /nfs/dbraw/zinc/74/37/12/632743712.db2.gz FCDHHMHGPFMYQV-RYUDHWBXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310460384 632743718 /nfs/dbraw/zinc/74/37/18/632743718.db2.gz FCDHHMHGPFMYQV-RYUDHWBXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000310460384 632743722 /nfs/dbraw/zinc/74/37/22/632743722.db2.gz FCDHHMHGPFMYQV-RYUDHWBXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000310460384 632743724 /nfs/dbraw/zinc/74/37/24/632743724.db2.gz FCDHHMHGPFMYQV-RYUDHWBXSA-N 2 1 244.379 0.533 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523120 632759114 /nfs/dbraw/zinc/75/91/14/632759114.db2.gz MKBMVUHXDGADAK-STQMWFEESA-N 3 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310523120 632759117 /nfs/dbraw/zinc/75/91/17/632759117.db2.gz MKBMVUHXDGADAK-STQMWFEESA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310523120 632759120 /nfs/dbraw/zinc/75/91/20/632759120.db2.gz MKBMVUHXDGADAK-STQMWFEESA-N 2 1 241.379 0.114 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000052041379 632780324 /nfs/dbraw/zinc/78/03/24/632780324.db2.gz UVXWUYXQCJMKAB-JTQLQIEISA-N 2 1 212.341 0.995 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000052042182 632781134 /nfs/dbraw/zinc/78/11/34/632781134.db2.gz VRARBNTYOAHMSX-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000052041381 632781233 /nfs/dbraw/zinc/78/12/33/632781233.db2.gz UVXWUYXQCJMKAB-SNVBAGLBSA-N 2 1 212.341 0.995 20 0 BCADMP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000052043278 632782146 /nfs/dbraw/zinc/78/21/46/632782146.db2.gz NAVVJAGRDZNOHP-JTQLQIEISA-N 2 1 212.341 0.851 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+](C)C ZINC000052047745 632783345 /nfs/dbraw/zinc/78/33/45/632783345.db2.gz LWZCGDHVCUCHLK-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000235564390 632787161 /nfs/dbraw/zinc/78/71/61/632787161.db2.gz SKFUAKMUYACBNJ-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000235564390 632787167 /nfs/dbraw/zinc/78/71/67/632787167.db2.gz SKFUAKMUYACBNJ-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309205823 632811511 /nfs/dbraw/zinc/81/15/11/632811511.db2.gz BBXDHFWUPOQFST-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309205823 632811516 /nfs/dbraw/zinc/81/15/16/632811516.db2.gz BBXDHFWUPOQFST-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+](C)C ZINC000066245753 632860845 /nfs/dbraw/zinc/86/08/45/632860845.db2.gz OZIHSZJRWMEBFS-VHSXEESVSA-N 2 1 228.340 0.020 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529433 633131543 /nfs/dbraw/zinc/13/15/43/633131543.db2.gz LSOVBMQQVFRIGH-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928430618 635915101 /nfs/dbraw/zinc/91/51/01/635915101.db2.gz YDFWDOZGFIOINJ-WDEREUQCSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928430618 635915103 /nfs/dbraw/zinc/91/51/03/635915103.db2.gz YDFWDOZGFIOINJ-WDEREUQCSA-N 2 1 236.319 0.400 20 0 BCADMP CCOCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122299974 633199724 /nfs/dbraw/zinc/19/97/24/633199724.db2.gz VSEZSUJPWUXISU-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122309399 633206072 /nfs/dbraw/zinc/20/60/72/633206072.db2.gz QXLOUGGVZAWNRX-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1C ZINC000928434468 635929235 /nfs/dbraw/zinc/92/92/35/635929235.db2.gz DWFUJWSHWHEYLC-ONGXEEELSA-N 2 1 236.319 0.171 20 0 BCADMP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CC[N@H+]1C ZINC000928434465 635929497 /nfs/dbraw/zinc/92/94/97/635929497.db2.gz DWFUJWSHWHEYLC-GXSJLCMTSA-N 2 1 236.319 0.171 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000928554596 636091447 /nfs/dbraw/zinc/09/14/47/636091447.db2.gz QSCXPRBHUNHFNH-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000928554596 636091450 /nfs/dbraw/zinc/09/14/50/636091450.db2.gz QSCXPRBHUNHFNH-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000928554596 636091452 /nfs/dbraw/zinc/09/14/52/636091452.db2.gz QSCXPRBHUNHFNH-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP COC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328553939 633777203 /nfs/dbraw/zinc/77/72/03/633777203.db2.gz XFKRZWIEGRRJBE-KUYXLPFXSA-N 2 1 210.321 0.607 20 0 BCADMP C[N@@H+](CCC1SCCS1)C[C@@H](O)C[NH3+] ZINC000853023264 633795586 /nfs/dbraw/zinc/79/55/86/633795586.db2.gz RAGITOXBWNYKBX-QMMMGPOBSA-N 2 1 236.406 0.434 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000308951202 633835209 /nfs/dbraw/zinc/83/52/09/633835209.db2.gz XVIAGXSQTQWQHZ-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000308951202 633835210 /nfs/dbraw/zinc/83/52/10/633835210.db2.gz XVIAGXSQTQWQHZ-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000308951202 633835212 /nfs/dbraw/zinc/83/52/12/633835212.db2.gz XVIAGXSQTQWQHZ-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CN1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCC1=O ZINC000925509203 633847860 /nfs/dbraw/zinc/84/78/60/633847860.db2.gz MEGZLNORFOWZJE-VHSXEESVSA-N 2 1 225.336 0.337 20 0 BCADMP c1cn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925510485 633850151 /nfs/dbraw/zinc/85/01/51/633850151.db2.gz VUVUTVIGCUBNRR-NSHDSACASA-N 2 1 220.320 0.757 20 0 BCADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925606980 634136238 /nfs/dbraw/zinc/13/62/38/634136238.db2.gz RDLNMENSXQLSAX-GFCCVEGCSA-N 2 1 229.368 0.295 20 0 BCADMP CCCC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000310395203 634137099 /nfs/dbraw/zinc/13/70/99/634137099.db2.gz FJQCKLFOHSMFQL-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000310395203 634137101 /nfs/dbraw/zinc/13/71/01/634137101.db2.gz FJQCKLFOHSMFQL-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP CC(C)(CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925617787 634167357 /nfs/dbraw/zinc/16/73/57/634167357.db2.gz SLASMLDYIMAXMH-JTQLQIEISA-N 2 1 212.337 0.879 20 0 BCADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C[C@@H]1O ZINC000925646739 634203180 /nfs/dbraw/zinc/20/31/80/634203180.db2.gz VOOOMEUBBZCSOP-AEJSXWLSSA-N 2 1 212.337 0.876 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000925685776 634297912 /nfs/dbraw/zinc/29/79/12/634297912.db2.gz NFLHFUPPBUOODJ-NXEZZACHSA-N 2 1 225.336 0.243 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696976 634358901 /nfs/dbraw/zinc/35/89/01/634358901.db2.gz CJQRZBXWKBEWPM-WYUUTHIRSA-N 3 1 225.380 0.947 20 0 BCADMP COCCNCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698578 634364369 /nfs/dbraw/zinc/36/43/69/634364369.db2.gz KUPVMDDFRJDKCX-NWDGAFQWSA-N 2 1 243.395 0.718 20 0 BCADMP COCCNCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698574 634365299 /nfs/dbraw/zinc/36/52/99/634365299.db2.gz KUPVMDDFRJDKCX-NEPJUHHUSA-N 2 1 243.395 0.718 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NCC(F)(F)C[NH3+] ZINC000925699658 634366251 /nfs/dbraw/zinc/36/62/51/634366251.db2.gz PFAYXPSMPGGUIW-SFYZADRCSA-N 2 1 207.268 0.311 20 0 BCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391716 635217202 /nfs/dbraw/zinc/21/72/02/635217202.db2.gz RUAFOWYGHYJGRD-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391716 635217211 /nfs/dbraw/zinc/21/72/11/635217211.db2.gz RUAFOWYGHYJGRD-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391716 635217221 /nfs/dbraw/zinc/21/72/21/635217221.db2.gz RUAFOWYGHYJGRD-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000925779038 635267968 /nfs/dbraw/zinc/26/79/68/635267968.db2.gz LHTIXFHRMLTICK-MROQNXINSA-N 2 1 241.379 0.613 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925779031 635268501 /nfs/dbraw/zinc/26/85/01/635268501.db2.gz LHTIXFHRMLTICK-FDYHWXHSSA-N 2 1 241.379 0.613 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000310171011 635292382 /nfs/dbraw/zinc/29/23/82/635292382.db2.gz PRQIJQPBFCKZPZ-CHWSQXEVSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925792296 635325510 /nfs/dbraw/zinc/32/55/10/635325510.db2.gz FHCDQTKHVAGGAQ-LPWJVIDDSA-N 2 1 225.380 0.962 20 0 BCADMP CN1C[C@@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)CC1=O ZINC000924896248 635751105 /nfs/dbraw/zinc/75/11/05/635751105.db2.gz MEAHPONVISONGN-NUVITONLSA-N 2 1 237.347 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928442523 635945393 /nfs/dbraw/zinc/94/53/93/635945393.db2.gz BBJYCNHTGKXRDM-GHMZBOCLSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154693 636573540 /nfs/dbraw/zinc/57/35/40/636573540.db2.gz WHDKSXOFYGADKI-FVCCEPFGSA-N 2 1 224.348 0.953 20 0 BCADMP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000321826437 636708718 /nfs/dbraw/zinc/70/87/18/636708718.db2.gz OYXWVOAVRCBXAB-UHFFFAOYSA-N 2 1 242.367 0.356 20 0 BCADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000089745619 636908443 /nfs/dbraw/zinc/90/84/43/636908443.db2.gz UCABCNRSAFJION-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706018 636934232 /nfs/dbraw/zinc/93/42/32/636934232.db2.gz DZJAMMFZXOFIMM-GFCCVEGCSA-N 2 1 227.352 0.429 20 0 BCADMP CNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706018 636934237 /nfs/dbraw/zinc/93/42/37/636934237.db2.gz DZJAMMFZXOFIMM-GFCCVEGCSA-N 2 1 227.352 0.429 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)C[NH+](C)C ZINC000926957671 636971173 /nfs/dbraw/zinc/97/11/73/636971173.db2.gz BZKIVPKQCLFTKV-JHJVBQTASA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C[NH+](C)C ZINC000926962739 636972905 /nfs/dbraw/zinc/97/29/05/636972905.db2.gz LQFQVPMWRLVKFH-YVECIDJPSA-N 2 1 244.379 0.966 20 0 BCADMP CCO[C@@H](C[NH2+][C@H](COC)C1CC1)C[NH+](C)C ZINC000926961188 636974110 /nfs/dbraw/zinc/97/41/10/636974110.db2.gz IFRYEURYYCRWOI-QWHCGFSZSA-N 2 1 244.379 0.968 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000924707278 637014896 /nfs/dbraw/zinc/01/48/96/637014896.db2.gz TYJINHUKZNECRO-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000924707278 637014900 /nfs/dbraw/zinc/01/49/00/637014900.db2.gz TYJINHUKZNECRO-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnnn2C)C1 ZINC000924707878 637014980 /nfs/dbraw/zinc/01/49/80/637014980.db2.gz WASJEJMMLCDBLJ-MNOVXSKESA-N 2 1 237.351 0.808 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnnn2C)C1 ZINC000924707878 637014984 /nfs/dbraw/zinc/01/49/84/637014984.db2.gz WASJEJMMLCDBLJ-MNOVXSKESA-N 2 1 237.351 0.808 20 0 BCADMP CC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000899907382 637152481 /nfs/dbraw/zinc/15/24/81/637152481.db2.gz FRKYFIWWQWISKE-UHFFFAOYSA-N 2 1 237.347 0.246 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903463507 637365090 /nfs/dbraw/zinc/36/50/90/637365090.db2.gz CXCZNZKRZJIZBW-UPJWGTAASA-N 2 1 249.362 0.456 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@H]1CC[NH2+]C1 ZINC000903577247 637373234 /nfs/dbraw/zinc/37/32/34/637373234.db2.gz HMMYQOZMBQWFBF-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@@H]1CCC[NH2+]C1 ZINC000903577586 637374675 /nfs/dbraw/zinc/37/46/75/637374675.db2.gz OMATUBILIHTJKV-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903577248 637374861 /nfs/dbraw/zinc/37/48/61/637374861.db2.gz HOCPMEDRYSKOTC-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1C[NH3+] ZINC000903788268 637381216 /nfs/dbraw/zinc/38/12/16/637381216.db2.gz HIKVHDMTZOSVSU-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[C@@H](CN[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461396 637406053 /nfs/dbraw/zinc/40/60/53/637406053.db2.gz IXIXJAKCWSOUFG-WOPDTQHZSA-N 2 1 225.380 0.962 20 0 BCADMP NC(=O)COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904448580 637415233 /nfs/dbraw/zinc/41/52/33/637415233.db2.gz AAYQBQOSXXNLJK-UHFFFAOYSA-N 2 1 249.314 0.132 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000904469469 637424235 /nfs/dbraw/zinc/42/42/35/637424235.db2.gz MZJJPNHYOCZPJZ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)C1 ZINC000904477826 637427528 /nfs/dbraw/zinc/42/75/28/637427528.db2.gz YPZWYRPXJKSIJX-SQNXGDPESA-N 2 1 224.348 0.999 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)C1 ZINC000904477823 637427917 /nfs/dbraw/zinc/42/79/17/637427917.db2.gz YPZWYRPXJKSIJX-RYDUCSDGSA-N 2 1 224.348 0.999 20 0 BCADMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+](C)C ZINC000905042657 637561055 /nfs/dbraw/zinc/56/10/55/637561055.db2.gz PWBZQJIEEHQUJF-ZJUUUORDSA-N 2 1 244.408 0.946 20 0 BCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000905050742 637569657 /nfs/dbraw/zinc/56/96/57/637569657.db2.gz PNIJFNFIBQGJFN-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132593 637645116 /nfs/dbraw/zinc/64/51/16/637645116.db2.gz BKGXLTLZPFUMND-WOPDTQHZSA-N 2 1 242.363 0.335 20 0 BCADMP C([NH2+]C1CC1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905319207 637744639 /nfs/dbraw/zinc/74/46/39/637744639.db2.gz VOGPCRGCQXJRBW-UHFFFAOYSA-N 2 1 236.319 0.864 20 0 BCADMP CC[NH2+]Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905316205 637745396 /nfs/dbraw/zinc/74/53/96/637745396.db2.gz BNJCSWVCRIWFQC-UHFFFAOYSA-N 2 1 224.308 0.721 20 0 BCADMP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@H+]1C ZINC000905653898 637872443 /nfs/dbraw/zinc/87/24/43/637872443.db2.gz YJNVFTGSFYHWJE-JTQLQIEISA-N 2 1 244.408 0.106 20 0 BCADMP [NH3+]C1CC([NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000906509284 638182452 /nfs/dbraw/zinc/18/24/52/638182452.db2.gz FNEJTIDNWZORBC-UHFFFAOYSA-N 2 1 247.346 0.656 20 0 BCADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906518543 638187216 /nfs/dbraw/zinc/18/72/16/638187216.db2.gz RMKSPEAMRHLJRE-JOCQHMNTSA-N 2 1 247.342 0.968 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000908349726 638660764 /nfs/dbraw/zinc/66/07/64/638660764.db2.gz SSPBDLUECQIRPY-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918202 711469163 /nfs/dbraw/zinc/46/91/63/711469163.db2.gz MRFTYXKMWQVWNS-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911622881 639684576 /nfs/dbraw/zinc/68/45/76/639684576.db2.gz JTDUHGLIESNYCD-NWDGAFQWSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000911654932 639708838 /nfs/dbraw/zinc/70/88/38/639708838.db2.gz DFKFLDQQWPFLFW-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461389 639761404 /nfs/dbraw/zinc/76/14/04/639761404.db2.gz VXCOWRSEHALIJF-GVWAJWJKSA-N 2 1 242.363 0.285 20 0 BCADMP C[NH2+]CCNC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000911749252 639774726 /nfs/dbraw/zinc/77/47/26/639774726.db2.gz ZUJOWBIGICDPQN-ZCFIWIBFSA-N 2 1 228.321 0.112 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753003 639782173 /nfs/dbraw/zinc/78/21/73/639782173.db2.gz WUOSPKWFRSFLMZ-LBPRGKRZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930577795 639812987 /nfs/dbraw/zinc/81/29/87/639812987.db2.gz OFOVRHAIKCACLN-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000911826181 639838186 /nfs/dbraw/zinc/83/81/86/639838186.db2.gz LTMWSCVYIFPMDI-KOLCDFICSA-N 2 1 238.335 0.688 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833325 639845533 /nfs/dbraw/zinc/84/55/33/639845533.db2.gz KRVJWZFYDZWKED-RYUDHWBXSA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+]Cc1ncc(C(=O)N[C@@H](C[NH3+])C2CC2)s1 ZINC000911835866 639847154 /nfs/dbraw/zinc/84/71/54/639847154.db2.gz VHXIHCGFNKHMSY-ZETCQYMHSA-N 2 1 240.332 0.069 20 0 BCADMP C[C@@H](C1CC1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851225 639945636 /nfs/dbraw/zinc/94/56/36/639945636.db2.gz YJKYOEQITFDQML-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H](CO)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076587 640058272 /nfs/dbraw/zinc/05/82/72/640058272.db2.gz UHAWBRHYIXTFIM-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC000931275846 640121399 /nfs/dbraw/zinc/12/13/99/640121399.db2.gz ANOGPKDPPRYFBG-QNSTZXKLSA-N 2 1 236.359 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC000931275846 640121405 /nfs/dbraw/zinc/12/14/05/640121405.db2.gz ANOGPKDPPRYFBG-QNSTZXKLSA-N 2 1 236.359 0.905 20 0 BCADMP CC(C)[C@H](O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278479 640127690 /nfs/dbraw/zinc/12/76/90/640127690.db2.gz XRUYUBOIKAFHMF-XQHKEYJVSA-N 2 1 226.364 0.885 20 0 BCADMP CC(C)[C@H](O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278479 640127697 /nfs/dbraw/zinc/12/76/97/640127697.db2.gz XRUYUBOIKAFHMF-XQHKEYJVSA-N 2 1 226.364 0.885 20 0 BCADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931402124 640182036 /nfs/dbraw/zinc/18/20/36/640182036.db2.gz SFCLYDXWZVLTOP-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199100 /nfs/dbraw/zinc/19/91/00/640199100.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 1 237.347 0.102 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199105 /nfs/dbraw/zinc/19/91/05/640199105.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 1 237.347 0.102 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199108 /nfs/dbraw/zinc/19/91/08/640199108.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 1 237.347 0.102 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199114 /nfs/dbraw/zinc/19/91/14/640199114.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 1 237.347 0.102 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199122 /nfs/dbraw/zinc/19/91/22/640199122.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 1 237.347 0.102 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201186 /nfs/dbraw/zinc/20/11/86/640201186.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201191 /nfs/dbraw/zinc/20/11/91/640201191.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201193 /nfs/dbraw/zinc/20/11/93/640201193.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436929 640204533 /nfs/dbraw/zinc/20/45/33/640204533.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COCCOCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436929 640204538 /nfs/dbraw/zinc/20/45/38/640204538.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COCCOCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436929 640204541 /nfs/dbraw/zinc/20/45/41/640204541.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441944 640204865 /nfs/dbraw/zinc/20/48/65/640204865.db2.gz RPYSNJYQQQSLRE-XQQFMLRXSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000931441944 640204870 /nfs/dbraw/zinc/20/48/70/640204870.db2.gz RPYSNJYQQQSLRE-XQQFMLRXSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000931441944 640204874 /nfs/dbraw/zinc/20/48/74/640204874.db2.gz RPYSNJYQQQSLRE-XQQFMLRXSA-N 2 1 242.363 0.531 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912906509 640234647 /nfs/dbraw/zinc/23/46/47/640234647.db2.gz FXGAVKCGHZUERH-NEPJUHHUSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931701195 640324711 /nfs/dbraw/zinc/32/47/11/640324711.db2.gz XMSKJAYHZDFSSG-NEPJUHHUSA-N 2 1 242.363 0.288 20 0 BCADMP CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931725652 640338778 /nfs/dbraw/zinc/33/87/78/640338778.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CNC(=O)CCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725652 640338786 /nfs/dbraw/zinc/33/87/86/640338786.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CNC(=O)CCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931725652 640338793 /nfs/dbraw/zinc/33/87/93/640338793.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726826 640462261 /nfs/dbraw/zinc/46/22/61/640462261.db2.gz IEFITJFYOJKWMI-RKDXNWHRSA-N 2 1 211.309 0.077 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224456 640604021 /nfs/dbraw/zinc/60/40/21/640604021.db2.gz ALGMDWKXQVQTEX-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224456 640604026 /nfs/dbraw/zinc/60/40/26/640604026.db2.gz ALGMDWKXQVQTEX-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000167200340 640706627 /nfs/dbraw/zinc/70/66/27/640706627.db2.gz RZXQOTVLYLHXLF-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3COCCO3)C[C@]2(C)C1 ZINC000933734196 640757029 /nfs/dbraw/zinc/75/70/29/640757029.db2.gz NQVVIIQTHKKODB-UPJWGTAASA-N 2 1 240.347 0.285 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3COCCO3)C[C@]2(C)C1 ZINC000933734196 640757036 /nfs/dbraw/zinc/75/70/36/640757036.db2.gz NQVVIIQTHKKODB-UPJWGTAASA-N 2 1 240.347 0.285 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3COCCO3)C[C@]2(C)C1 ZINC000933734196 640757039 /nfs/dbraw/zinc/75/70/39/640757039.db2.gz NQVVIIQTHKKODB-UPJWGTAASA-N 2 1 240.347 0.285 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@]2(C)C1 ZINC000933734196 640757045 /nfs/dbraw/zinc/75/70/45/640757045.db2.gz NQVVIIQTHKKODB-UPJWGTAASA-N 2 1 240.347 0.285 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226539323 640772893 /nfs/dbraw/zinc/77/28/93/640772893.db2.gz ZXHGVEZBALAGDF-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226539323 640772897 /nfs/dbraw/zinc/77/28/97/640772897.db2.gz ZXHGVEZBALAGDF-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767864 640848115 /nfs/dbraw/zinc/84/81/15/640848115.db2.gz DKQZCWUTVYWOEY-VHSXEESVSA-N 2 1 213.325 0.039 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768348 640848274 /nfs/dbraw/zinc/84/82/74/640848274.db2.gz PCQJVSZRMPQSOD-LPEHRKFASA-N 2 1 213.325 0.167 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000228541426 640879667 /nfs/dbraw/zinc/87/96/67/640879667.db2.gz KKQPPIOPTIUYRQ-ADEWGFFLSA-N 2 1 239.363 0.713 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257039 640939496 /nfs/dbraw/zinc/93/94/96/640939496.db2.gz WFYKQKJPKCGMGT-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256764 640939414 /nfs/dbraw/zinc/93/94/14/640939414.db2.gz MHCBBCLUKGKVDM-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257779 640939507 /nfs/dbraw/zinc/93/95/07/640939507.db2.gz DGTUQKOEUJWAOW-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258323 640939904 /nfs/dbraw/zinc/93/99/04/640939904.db2.gz GSXOCLCQCYJLDV-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP Cn1nccc1CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000230749835 641097281 /nfs/dbraw/zinc/09/72/81/641097281.db2.gz OFLFJCRJRKHODE-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000063169279 641142565 /nfs/dbraw/zinc/14/25/65/641142565.db2.gz HTQWIPWIUSPQOP-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000063169279 641142572 /nfs/dbraw/zinc/14/25/72/641142572.db2.gz HTQWIPWIUSPQOP-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000063179875 641143060 /nfs/dbraw/zinc/14/30/60/641143060.db2.gz NHAJOYNDNATXMF-YWNRKNDBSA-N 2 1 245.754 0.526 20 0 BCADMP C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938300 641195123 /nfs/dbraw/zinc/19/51/23/641195123.db2.gz KKFIGAOBLHORLY-SECBINFHSA-N 2 1 240.269 0.984 20 0 BCADMP C[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000307942726 641198514 /nfs/dbraw/zinc/19/85/14/641198514.db2.gz PZXZMEXDEIGDDU-IUCAKERBSA-N 2 1 240.269 0.969 20 0 BCADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000307942726 641198518 /nfs/dbraw/zinc/19/85/18/641198518.db2.gz PZXZMEXDEIGDDU-IUCAKERBSA-N 2 1 240.269 0.969 20 0 BCADMP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000913831575 641492842 /nfs/dbraw/zinc/49/28/42/641492842.db2.gz QWULDWVLCMJNBJ-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2COCCO2)CCN1C ZINC000929782333 641543114 /nfs/dbraw/zinc/54/31/14/641543114.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H](N(C)C[C@H]2COCCO2)CC[N@@H+]1C ZINC000929782333 641543120 /nfs/dbraw/zinc/54/31/20/641543120.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H](N(C)C[C@H]2COCCO2)CC[N@H+]1C ZINC000929782333 641543127 /nfs/dbraw/zinc/54/31/27/641543127.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2COCCO2)CC[N@@H+]1C ZINC000929782333 641543132 /nfs/dbraw/zinc/54/31/32/641543132.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2COCCO2)CC[N@H+]1C ZINC000929782333 641543137 /nfs/dbraw/zinc/54/31/37/641543137.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2COCCO2)CC[NH+]1C ZINC000929782333 641543144 /nfs/dbraw/zinc/54/31/44/641543144.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2COCCO2)CC[NH+]1C ZINC000929782333 641543152 /nfs/dbraw/zinc/54/31/52/641543152.db2.gz LSLKXCSTTQQJNZ-UPJWGTAASA-N 2 1 242.363 0.816 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414520 641728971 /nfs/dbraw/zinc/72/89/71/641728971.db2.gz NOSKRHWTJGDPTJ-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP COC(C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000189043499 641783862 /nfs/dbraw/zinc/78/38/62/641783862.db2.gz BNUTXNCRYCMMPZ-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000189043499 641783868 /nfs/dbraw/zinc/78/38/68/641783868.db2.gz BNUTXNCRYCMMPZ-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000189043499 641783874 /nfs/dbraw/zinc/78/38/74/641783874.db2.gz BNUTXNCRYCMMPZ-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000189043499 641783877 /nfs/dbraw/zinc/78/38/77/641783877.db2.gz BNUTXNCRYCMMPZ-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000915153322 641805560 /nfs/dbraw/zinc/80/55/60/641805560.db2.gz NMUSAOKXYWPHKY-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950490665 641925525 /nfs/dbraw/zinc/92/55/25/641925525.db2.gz CMZIULONAYBAOC-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950490665 641925530 /nfs/dbraw/zinc/92/55/30/641925530.db2.gz CMZIULONAYBAOC-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930000851 642140199 /nfs/dbraw/zinc/14/01/99/642140199.db2.gz SCIZLDVEADZFJO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930000851 642140205 /nfs/dbraw/zinc/14/02/05/642140205.db2.gz SCIZLDVEADZFJO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930000851 642140211 /nfs/dbraw/zinc/14/02/11/642140211.db2.gz SCIZLDVEADZFJO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000924022923 642371663 /nfs/dbraw/zinc/37/16/63/642371663.db2.gz UXLRZHLRTTXTDJ-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000924022923 642371667 /nfs/dbraw/zinc/37/16/67/642371667.db2.gz UXLRZHLRTTXTDJ-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000924022923 642371673 /nfs/dbraw/zinc/37/16/73/642371673.db2.gz UXLRZHLRTTXTDJ-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000891403537 642484955 /nfs/dbraw/zinc/48/49/55/642484955.db2.gz SFVKWVMZGDKEIH-OUAUKWLOSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012109 642499924 /nfs/dbraw/zinc/49/99/24/642499924.db2.gz UDEGMVHKAFVLOW-NSHDSACASA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253236771 642631442 /nfs/dbraw/zinc/63/14/42/642631442.db2.gz OCQANUFYAOFVSQ-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253236771 642631449 /nfs/dbraw/zinc/63/14/49/642631449.db2.gz OCQANUFYAOFVSQ-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253230127 642632954 /nfs/dbraw/zinc/63/29/54/642632954.db2.gz LUYVQBQPOCSJOK-VXGBXAGGSA-N 2 1 230.352 0.566 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253629683 642672377 /nfs/dbraw/zinc/67/23/77/642672377.db2.gz IAQOIFURAKDPMF-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253629683 642672382 /nfs/dbraw/zinc/67/23/82/642672382.db2.gz IAQOIFURAKDPMF-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000068808953 642802084 /nfs/dbraw/zinc/80/20/84/642802084.db2.gz XLRKMFULWHGXLB-NSHDSACASA-N 2 1 241.383 0.002 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967923938 642805116 /nfs/dbraw/zinc/80/51/16/642805116.db2.gz CJVBALHJRRXTKT-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000068890890 642807358 /nfs/dbraw/zinc/80/73/58/642807358.db2.gz ITYHMKRSPRLNGQ-DCAQKATOSA-N 2 1 216.325 0.053 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728454 642817323 /nfs/dbraw/zinc/81/73/23/642817323.db2.gz PRIOBRCFYPLGBE-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010384180 642861702 /nfs/dbraw/zinc/86/17/02/642861702.db2.gz KPNNNSZZMBUWAM-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010384180 642861707 /nfs/dbraw/zinc/86/17/07/642861707.db2.gz KPNNNSZZMBUWAM-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010384180 642861709 /nfs/dbraw/zinc/86/17/09/642861709.db2.gz KPNNNSZZMBUWAM-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248941 642955656 /nfs/dbraw/zinc/95/56/56/642955656.db2.gz FGTVBWVSINUSQO-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248941 642955665 /nfs/dbraw/zinc/95/56/65/642955665.db2.gz FGTVBWVSINUSQO-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248941 642955672 /nfs/dbraw/zinc/95/56/72/642955672.db2.gz FGTVBWVSINUSQO-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019655547 643039560 /nfs/dbraw/zinc/03/95/60/643039560.db2.gz UGUJUXRWJBIXGH-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172248 643060341 /nfs/dbraw/zinc/06/03/41/643060341.db2.gz SPAVCXVJVZTJBZ-DDHJBXDOSA-N 2 1 239.363 0.583 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001020302826 643065941 /nfs/dbraw/zinc/06/59/41/643065941.db2.gz UJNMXMARYCDPEM-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NCCOC)C(C)C ZINC000066246538 643165666 /nfs/dbraw/zinc/16/56/66/643165666.db2.gz FMRNJYJBDJTZLK-UHFFFAOYSA-N 2 1 230.356 0.267 20 0 BCADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969409525 643168429 /nfs/dbraw/zinc/16/84/29/643168429.db2.gz CKHKDTULTUFSEW-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000925339206 643217711 /nfs/dbraw/zinc/21/77/11/643217711.db2.gz WWVFFOVDUCFBFV-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020587536 643220671 /nfs/dbraw/zinc/22/06/71/643220671.db2.gz JVFRSYAZZKASMK-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186877 643282705 /nfs/dbraw/zinc/28/27/05/643282705.db2.gz YMIXOAGEFFGJNG-NSHDSACASA-N 2 1 225.336 0.006 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681379 643367678 /nfs/dbraw/zinc/36/76/78/643367678.db2.gz QBNPXIFCXKXWHM-BQBZGAKWSA-N 2 1 212.215 0.190 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681379 643367680 /nfs/dbraw/zinc/36/76/80/643367680.db2.gz QBNPXIFCXKXWHM-BQBZGAKWSA-N 2 1 212.215 0.190 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001021053537 643396109 /nfs/dbraw/zinc/39/61/09/643396109.db2.gz RWFZOZHLLGXDSF-XYPYZODXSA-N 2 1 236.319 0.448 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000081069370 643493755 /nfs/dbraw/zinc/49/37/55/643493755.db2.gz KVLQKPWRZZSGCM-WOPDTQHZSA-N 2 1 212.337 0.810 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000082474939 643510278 /nfs/dbraw/zinc/51/02/78/643510278.db2.gz RKLMGBWHJOZSHX-SCZZXKLOSA-N 2 1 212.293 0.361 20 0 BCADMP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970879491 643585500 /nfs/dbraw/zinc/58/55/00/643585500.db2.gz ZCSJNWRVVROHTB-QWRGUYRKSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869974 643824722 /nfs/dbraw/zinc/82/47/22/643824722.db2.gz QZGIRKQYTCKWCC-ILDUYXDCSA-N 2 1 216.325 0.195 20 0 BCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000922160229 643880073 /nfs/dbraw/zinc/88/00/73/643880073.db2.gz ZWHBTJNTSDWSNN-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000922160229 643880076 /nfs/dbraw/zinc/88/00/76/643880076.db2.gz ZWHBTJNTSDWSNN-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000922479690 644002728 /nfs/dbraw/zinc/00/27/28/644002728.db2.gz YKONWWUEUXVCJL-HBNTYKKESA-N 2 1 242.367 0.328 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000922754955 644088089 /nfs/dbraw/zinc/08/80/89/644088089.db2.gz WAODJVFIKMTJNB-UTUOFQBUSA-N 2 1 230.352 0.720 20 0 BCADMP CC[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703133 644165657 /nfs/dbraw/zinc/16/56/57/644165657.db2.gz NWBZEVQMWGKCFV-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2CC1CC[NH2+]CC1 ZINC000923272804 644307817 /nfs/dbraw/zinc/30/78/17/644307817.db2.gz QEOSBGRUFKWMMU-UHFFFAOYSA-N 2 1 237.347 0.468 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290191 644323152 /nfs/dbraw/zinc/32/31/52/644323152.db2.gz VLQBYJXREZPXOM-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923289301 644324533 /nfs/dbraw/zinc/32/45/33/644324533.db2.gz OOFSTGQNFQSLKE-AVGNSLFASA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923289301 644324537 /nfs/dbraw/zinc/32/45/37/644324537.db2.gz OOFSTGQNFQSLKE-AVGNSLFASA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923291919 644327936 /nfs/dbraw/zinc/32/79/36/644327936.db2.gz UKNRWNCXSCQKRN-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293154 644329954 /nfs/dbraw/zinc/32/99/54/644329954.db2.gz OIDILROVKDLTEF-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293154 644329958 /nfs/dbraw/zinc/32/99/58/644329958.db2.gz OIDILROVKDLTEF-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP C[C@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307207 644337585 /nfs/dbraw/zinc/33/75/85/644337585.db2.gz ZEZFOTVVGWQGMC-QWRGUYRKSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307207 644337588 /nfs/dbraw/zinc/33/75/88/644337588.db2.gz ZEZFOTVVGWQGMC-QWRGUYRKSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307208 644338183 /nfs/dbraw/zinc/33/81/83/644338183.db2.gz ZEZFOTVVGWQGMC-WDEREUQCSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307208 644338186 /nfs/dbraw/zinc/33/81/86/644338186.db2.gz ZEZFOTVVGWQGMC-WDEREUQCSA-N 2 1 226.320 0.086 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307171 644338229 /nfs/dbraw/zinc/33/82/29/644338229.db2.gz XYWZTOAPBSPSQX-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304198 644341796 /nfs/dbraw/zinc/34/17/96/644341796.db2.gz OYEHITZWCPGLPY-LLVKDONJSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312371 644342265 /nfs/dbraw/zinc/34/22/65/644342265.db2.gz HNTRFGVFTRKGMI-GHMZBOCLSA-N 2 1 210.321 0.849 20 0 BCADMP CC1(C)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315830 644342624 /nfs/dbraw/zinc/34/26/24/644342624.db2.gz LATIMHAZBSBRPZ-GUBZILKMSA-N 2 1 230.377 0.664 20 0 BCADMP CC[C@@]1(C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316510 644343142 /nfs/dbraw/zinc/34/31/42/644343142.db2.gz KJVFAIDTNAJVSO-BJDJZHNGSA-N 2 1 212.337 0.959 20 0 BCADMP CCN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317516 644344383 /nfs/dbraw/zinc/34/43/83/644344383.db2.gz DKUXCCCWCHZRMQ-LBPRGKRZSA-N 2 1 239.363 0.002 20 0 BCADMP CC[C@]1(C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316512 644344856 /nfs/dbraw/zinc/34/48/56/644344856.db2.gz KJVFAIDTNAJVSO-FIQHERPVSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311042 644345905 /nfs/dbraw/zinc/34/59/05/644345905.db2.gz FRQSALPOVZNAKL-MNOVXSKESA-N 2 1 242.388 0.802 20 0 BCADMP NC(=O)NC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923311023 644347425 /nfs/dbraw/zinc/34/74/25/644347425.db2.gz DTFPCWUDRIRFQW-UHFFFAOYSA-N 2 1 240.351 0.261 20 0 BCADMP C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923308581 644347595 /nfs/dbraw/zinc/34/75/95/644347595.db2.gz FJKHYLNBTIRHGY-BJDJZHNGSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330354 644348980 /nfs/dbraw/zinc/34/89/80/644348980.db2.gz CSKWZPSFUATFIK-QJPTWQEYSA-N 3 1 239.363 0.034 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330522 644349169 /nfs/dbraw/zinc/34/91/69/644349169.db2.gz AFZSRVACIOFGFJ-RAIGVLPGSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330522 644349173 /nfs/dbraw/zinc/34/91/73/644349173.db2.gz AFZSRVACIOFGFJ-RAIGVLPGSA-N 3 1 223.364 0.798 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351935 /nfs/dbraw/zinc/35/19/35/644351935.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 1 241.379 0.111 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352721 /nfs/dbraw/zinc/35/27/21/644352721.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 1 241.379 0.111 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923332463 644354034 /nfs/dbraw/zinc/35/40/34/644354034.db2.gz QFRZHEICDZIKAY-MNOVXSKESA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923332463 644354039 /nfs/dbraw/zinc/35/40/39/644354039.db2.gz QFRZHEICDZIKAY-MNOVXSKESA-N 3 1 211.353 0.798 20 0 BCADMP CC[N@@H+](C[C@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336547 644357258 /nfs/dbraw/zinc/35/72/58/644357258.db2.gz UPAGZVHYKBUJSU-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357528 644364710 /nfs/dbraw/zinc/36/47/10/644364710.db2.gz XTAWLOZGFCJMBK-NEPJUHHUSA-N 3 1 239.363 0.036 20 0 BCADMP C[C@@]1(C[NH3+])CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357528 644364713 /nfs/dbraw/zinc/36/47/13/644364713.db2.gz XTAWLOZGFCJMBK-NEPJUHHUSA-N 2 1 239.363 0.036 20 0 BCADMP OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358140 644367923 /nfs/dbraw/zinc/36/79/23/644367923.db2.gz DJYIEIJVMHGTFV-NWDGAFQWSA-N 2 1 212.337 0.690 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355188 644371320 /nfs/dbraw/zinc/37/13/20/644371320.db2.gz HIMZHQYEFZQPEP-CHWSQXEVSA-N 2 1 244.379 0.833 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](CN)C1CC1 ZINC000923356273 644374121 /nfs/dbraw/zinc/37/41/21/644374121.db2.gz GPUXJJQUNMXSDF-NEPJUHHUSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](CN)C1CC1 ZINC000923356273 644374125 /nfs/dbraw/zinc/37/41/25/644374125.db2.gz GPUXJJQUNMXSDF-NEPJUHHUSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356273 644374133 /nfs/dbraw/zinc/37/41/33/644374133.db2.gz GPUXJJQUNMXSDF-NEPJUHHUSA-N 3 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356273 644374136 /nfs/dbraw/zinc/37/41/36/644374136.db2.gz GPUXJJQUNMXSDF-NEPJUHHUSA-N 3 1 239.363 0.034 20 0 BCADMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000923364907 644374919 /nfs/dbraw/zinc/37/49/19/644374919.db2.gz AOKAYZUIJQKNPW-OLZOCXBDSA-N 2 1 238.331 0.280 20 0 BCADMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000923364907 644374929 /nfs/dbraw/zinc/37/49/29/644374929.db2.gz AOKAYZUIJQKNPW-OLZOCXBDSA-N 2 1 238.331 0.280 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923366954 644378227 /nfs/dbraw/zinc/37/82/27/644378227.db2.gz BNKXIHIDXDGJAL-GHMZBOCLSA-N 2 1 232.368 0.735 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923368506 644381404 /nfs/dbraw/zinc/38/14/04/644381404.db2.gz CYQOYMCMEIKJQI-WRWGMCAJSA-N 2 1 230.352 0.360 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923369671 644381877 /nfs/dbraw/zinc/38/18/77/644381877.db2.gz NOBYRWWANJFLNI-JTQLQIEISA-N 2 1 228.336 0.869 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371072 644383431 /nfs/dbraw/zinc/38/34/31/644383431.db2.gz VBKXREFGVYJJIT-BDAKNGLRSA-N 2 1 220.382 0.673 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359550 644384063 /nfs/dbraw/zinc/38/40/63/644384063.db2.gz RPHPZVUSJACNKG-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP CCOCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371225 644384155 /nfs/dbraw/zinc/38/41/55/644384155.db2.gz VWRKOAGIKOBPNE-MNOVXSKESA-N 2 1 232.368 0.737 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923371633 644384434 /nfs/dbraw/zinc/38/44/34/644384434.db2.gz CNYKXHAZTFZBLG-CHWSQXEVSA-N 2 1 244.379 0.881 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359279 644384863 /nfs/dbraw/zinc/38/48/63/644384863.db2.gz PJMLIZKBZDRAJH-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359279 644384868 /nfs/dbraw/zinc/38/48/68/644384868.db2.gz PJMLIZKBZDRAJH-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362606 644385461 /nfs/dbraw/zinc/38/54/61/644385461.db2.gz PGRPNCQLTGEQDZ-XQQFMLRXSA-N 2 1 242.363 0.315 20 0 BCADMP CCOCCOCC[N@@H+](C)C1CC([NH3+])C1 ZINC000923362688 644386491 /nfs/dbraw/zinc/38/64/91/644386491.db2.gz NARNQYXOGBKENQ-UHFFFAOYSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1OCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923373785 644389363 /nfs/dbraw/zinc/38/93/63/644389363.db2.gz RNJHVUPZGGXVFZ-SDDRHHMPSA-N 2 1 240.347 0.474 20 0 BCADMP COC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923372980 644389502 /nfs/dbraw/zinc/38/95/02/644389502.db2.gz KQHLXIGDHVXCKO-VXGBXAGGSA-N 2 1 230.352 0.491 20 0 BCADMP C[C@@H]1CCCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923372900 644389676 /nfs/dbraw/zinc/38/96/76/644389676.db2.gz KJPNNPJLGGCBMM-RHYQMDGZSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccn1 ZINC000923379592 644390869 /nfs/dbraw/zinc/39/08/69/644390869.db2.gz QMDFFILFKYTTNQ-QCZKYFFMSA-N 2 1 221.304 0.583 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1cncc(F)c1 ZINC000923378303 644391542 /nfs/dbraw/zinc/39/15/42/644391542.db2.gz JWGMPZXZKHTTOA-BVALORAHSA-N 2 1 239.294 0.722 20 0 BCADMP C[N@H+](CCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377921 644391621 /nfs/dbraw/zinc/39/16/21/644391621.db2.gz FAEIYUGIHVJKCZ-YOGCLGLASA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+](CCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377921 644391627 /nfs/dbraw/zinc/39/16/27/644391627.db2.gz FAEIYUGIHVJKCZ-YOGCLGLASA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+](CC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377921 644391631 /nfs/dbraw/zinc/39/16/31/644391631.db2.gz FAEIYUGIHVJKCZ-YOGCLGLASA-N 3 1 211.353 0.798 20 0 BCADMP C[N@@H+](CC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377921 644391636 /nfs/dbraw/zinc/39/16/36/644391636.db2.gz FAEIYUGIHVJKCZ-YOGCLGLASA-N 3 1 211.353 0.798 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923381490 644393874 /nfs/dbraw/zinc/39/38/74/644393874.db2.gz DOXPAEPRWMTMOQ-BJDJZHNGSA-N 2 1 230.352 0.299 20 0 BCADMP CCOCC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381791 644394354 /nfs/dbraw/zinc/39/43/54/644394354.db2.gz OOXKUIQVAFMJEP-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923385309 644394595 /nfs/dbraw/zinc/39/45/95/644394595.db2.gz ZXDYGVSBYTYWHV-IJLUTSLNSA-N 2 1 240.347 0.210 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000923390014 644395527 /nfs/dbraw/zinc/39/55/27/644395527.db2.gz AUEDZRZNWZGZFB-XKNYDFJKSA-N 2 1 232.274 0.568 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388674 644402038 /nfs/dbraw/zinc/40/20/38/644402038.db2.gz QPRRVRICXPUUFX-RVMXOQNASA-N 2 1 242.363 0.586 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923393861 644402306 /nfs/dbraw/zinc/40/23/06/644402306.db2.gz ZMSPXTNQZKBTRV-UTUOFQBUSA-N 2 1 238.335 0.056 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393699 644402713 /nfs/dbraw/zinc/40/27/13/644402713.db2.gz WDJOMIUQKCYELP-OTTFEQOBSA-N 2 1 242.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399438 644404175 /nfs/dbraw/zinc/40/41/75/644404175.db2.gz RXGHVZNCLMETBR-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399438 644404180 /nfs/dbraw/zinc/40/41/80/644404180.db2.gz RXGHVZNCLMETBR-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP CCOCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399106 644404509 /nfs/dbraw/zinc/40/45/09/644404509.db2.gz ODNQMTQUPLGGJE-NEPJUHHUSA-N 2 1 242.363 0.648 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392661 644408899 /nfs/dbraw/zinc/40/88/99/644408899.db2.gz KQEJUPRYHFFPDT-WOPDTQHZSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCO)C1 ZINC000923412752 644414839 /nfs/dbraw/zinc/41/48/39/644414839.db2.gz AQIFUWSDDNQICA-LLVKDONJSA-N 2 1 200.326 0.676 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923414038 644416644 /nfs/dbraw/zinc/41/66/44/644416644.db2.gz YYTWHWKJODGYAI-SRVKXCTJSA-N 2 1 230.352 0.301 20 0 BCADMP CN(C)[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421897 644417570 /nfs/dbraw/zinc/41/75/70/644417570.db2.gz PDBZMHXKVUFPGQ-NEPJUHHUSA-N 2 1 239.363 0.001 20 0 BCADMP CN(C)[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421897 644417571 /nfs/dbraw/zinc/41/75/71/644417571.db2.gz PDBZMHXKVUFPGQ-NEPJUHHUSA-N 2 1 239.363 0.001 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429187 644422620 /nfs/dbraw/zinc/42/26/20/644422620.db2.gz RFKOUMCPDUTNKY-UPJWGTAASA-N 2 1 244.379 0.691 20 0 BCADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000084383347 644423833 /nfs/dbraw/zinc/42/38/33/644423833.db2.gz GWHLMZISMNTVCC-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP Cn1c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482003 644459537 /nfs/dbraw/zinc/45/95/37/644459537.db2.gz BPLQMMCNIQIFQI-SNVBAGLBSA-N 2 1 249.362 0.863 20 0 BCADMP Cn1c(C[N@H+]2CC[C@@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482003 644459539 /nfs/dbraw/zinc/45/95/39/644459539.db2.gz BPLQMMCNIQIFQI-SNVBAGLBSA-N 2 1 249.362 0.863 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000923482388 644459881 /nfs/dbraw/zinc/45/98/81/644459881.db2.gz ZJCCWTSYYFRCMN-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495460 644461347 /nfs/dbraw/zinc/46/13/47/644461347.db2.gz WCPBJSOSVLKUSP-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495334 644462296 /nfs/dbraw/zinc/46/22/96/644462296.db2.gz BPNQYPSAASZUQE-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495132 644462481 /nfs/dbraw/zinc/46/24/81/644462481.db2.gz UECQSOLWSXOWDZ-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495461 644462623 /nfs/dbraw/zinc/46/26/23/644462623.db2.gz WCPBJSOSVLKUSP-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495289 644462805 /nfs/dbraw/zinc/46/28/05/644462805.db2.gz BFZLKIKKTNGQSQ-GUBZILKMSA-N 2 1 214.309 0.465 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000923488144 644463556 /nfs/dbraw/zinc/46/35/56/644463556.db2.gz QIWPZMQMNOSMNH-VIFPVBQESA-N 2 1 238.291 0.284 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000923488144 644463562 /nfs/dbraw/zinc/46/35/62/644463562.db2.gz QIWPZMQMNOSMNH-VIFPVBQESA-N 2 1 238.291 0.284 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923489427 644465403 /nfs/dbraw/zinc/46/54/03/644465403.db2.gz JXFSYXWQSJSPKQ-NEPJUHHUSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1C[NH3+] ZINC000923491512 644467133 /nfs/dbraw/zinc/46/71/33/644467133.db2.gz SNVDKYVNHNARGU-IJLUTSLNSA-N 2 1 249.362 0.682 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493152 644467171 /nfs/dbraw/zinc/46/71/71/644467171.db2.gz DWFFJVLMIJHDLW-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP C[C@H]1C[N@@H+](CC2(O)CCOCC2)CC[C@H]1C[NH3+] ZINC000923492936 644467455 /nfs/dbraw/zinc/46/74/55/644467455.db2.gz ZPIRAUAZPMKXPK-RYUDHWBXSA-N 2 1 242.363 0.445 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1C[NH3+] ZINC000923492808 644468843 /nfs/dbraw/zinc/46/88/43/644468843.db2.gz OZQNMTFRJTUYRI-BDAKNGLRSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497314 644469297 /nfs/dbraw/zinc/46/92/97/644469297.db2.gz DOIDRTBAAJAOLV-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH3+])[C@H](C)C1 ZINC000923550287 644498679 /nfs/dbraw/zinc/49/86/79/644498679.db2.gz AGOIGKABCKYHLB-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493991 644470696 /nfs/dbraw/zinc/47/06/96/644470696.db2.gz VFKDKZKPUMWSEP-JHJVBQTASA-N 2 1 244.379 0.689 20 0 BCADMP C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1C[NH3+] ZINC000923495050 644470779 /nfs/dbraw/zinc/47/07/79/644470779.db2.gz SNNSVPFJZWUADM-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1C[NH3+] ZINC000923495050 644470783 /nfs/dbraw/zinc/47/07/83/644470783.db2.gz SNNSVPFJZWUADM-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923498974 644472368 /nfs/dbraw/zinc/47/23/68/644472368.db2.gz JMKGHRBRNUOVJR-CMPLNLGQSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516175 644480678 /nfs/dbraw/zinc/48/06/78/644480678.db2.gz TYHQEUQURYBASP-QNWHQSFQSA-N 2 1 224.348 0.953 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000923516713 644480888 /nfs/dbraw/zinc/48/08/88/644480888.db2.gz PCXZZMIOYKRKGV-UONOGXRCSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516366 644480925 /nfs/dbraw/zinc/48/09/25/644480925.db2.gz BBXDHFWUPOQFST-GARJFASQSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516366 644480928 /nfs/dbraw/zinc/48/09/28/644480928.db2.gz BBXDHFWUPOQFST-GARJFASQSA-N 2 1 225.336 0.004 20 0 BCADMP O[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000923516455 644481024 /nfs/dbraw/zinc/48/10/24/644481024.db2.gz GEWHKZUKDWADJY-DJLDLDEBSA-N 2 1 238.253 0.451 20 0 BCADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000923516455 644481031 /nfs/dbraw/zinc/48/10/31/644481031.db2.gz GEWHKZUKDWADJY-DJLDLDEBSA-N 2 1 238.253 0.451 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000923518327 644482332 /nfs/dbraw/zinc/48/23/32/644482332.db2.gz CZAMCXPHFWAQPX-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518945 644483643 /nfs/dbraw/zinc/48/36/43/644483643.db2.gz HADHCODOMWVFJT-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP OC[C@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923530438 644487127 /nfs/dbraw/zinc/48/71/27/644487127.db2.gz IVIFYWTWXYETQZ-CYBMUJFWSA-N 2 1 241.379 0.129 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCCC[C@@H]1CO ZINC000923531852 644490318 /nfs/dbraw/zinc/49/03/18/644490318.db2.gz WPWJUISFWVJKSF-LLVKDONJSA-N 2 1 216.325 0.199 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000923557688 644500273 /nfs/dbraw/zinc/50/02/73/644500273.db2.gz NGUILWRUJSSDHI-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000923556315 644502127 /nfs/dbraw/zinc/50/21/27/644502127.db2.gz GGZJZXKZIAJCET-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923556448 644502316 /nfs/dbraw/zinc/50/23/16/644502316.db2.gz GZRVRVHDIUKIBS-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP CC(C)CNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846856 644641957 /nfs/dbraw/zinc/64/19/57/644641957.db2.gz SISJASURCZTQOV-UHFFFAOYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250241003 644749730 /nfs/dbraw/zinc/74/97/30/644749730.db2.gz LFCLZMVLVCROBQ-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000250897297 644785104 /nfs/dbraw/zinc/78/51/04/644785104.db2.gz AEMGIWIKYPJNER-UWVGGRQHSA-N 2 1 212.293 0.363 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415586 644795847 /nfs/dbraw/zinc/79/58/47/644795847.db2.gz XJIHBWWIHLXIFQ-WHOHXGKFSA-N 2 1 237.347 0.147 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958415586 644795853 /nfs/dbraw/zinc/79/58/53/644795853.db2.gz XJIHBWWIHLXIFQ-WHOHXGKFSA-N 2 1 237.347 0.147 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958415586 644795858 /nfs/dbraw/zinc/79/58/58/644795858.db2.gz XJIHBWWIHLXIFQ-WHOHXGKFSA-N 2 1 237.347 0.147 20 0 BCADMP NC(CCO)=[NH+]OCCC[NH+]1CCCCC1 ZINC000808264191 644875744 /nfs/dbraw/zinc/87/57/44/644875744.db2.gz SEIBYQICDURGPF-UHFFFAOYSA-N 2 1 229.324 0.743 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304411149 644904255 /nfs/dbraw/zinc/90/42/55/644904255.db2.gz YATZHDPTWWWOLS-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176454 644941475 /nfs/dbraw/zinc/94/14/75/644941475.db2.gz PTJMGULJJVSLQA-GHMZBOCLSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176454 644941477 /nfs/dbraw/zinc/94/14/77/644941477.db2.gz PTJMGULJJVSLQA-GHMZBOCLSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000253192268 644943618 /nfs/dbraw/zinc/94/36/18/644943618.db2.gz MXJZNYBGAAPUQI-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000253192268 644943626 /nfs/dbraw/zinc/94/36/26/644943626.db2.gz MXJZNYBGAAPUQI-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000825047963 645060485 /nfs/dbraw/zinc/06/04/85/645060485.db2.gz IUSPJVIEXGLAAZ-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000843078045 645261846 /nfs/dbraw/zinc/26/18/46/645261846.db2.gz JSGSWNDFBSYNLM-CHWSQXEVSA-N 2 1 238.331 0.198 20 0 BCADMP Cn1cc[nH+]c1[C@H]1CCCN(CC[NH3+])C1 ZINC000843389845 645288311 /nfs/dbraw/zinc/28/83/11/645288311.db2.gz ZABLHXXODRHNFX-JTQLQIEISA-N 2 1 208.309 0.558 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843391740 645289561 /nfs/dbraw/zinc/28/95/61/645289561.db2.gz XMFLUSGJIOYPOO-ZJUUUORDSA-N 2 1 227.308 0.026 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843391740 645289568 /nfs/dbraw/zinc/28/95/68/645289568.db2.gz XMFLUSGJIOYPOO-ZJUUUORDSA-N 2 1 227.308 0.026 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000926602229 645309794 /nfs/dbraw/zinc/30/97/94/645309794.db2.gz WRSSMZPJBLGCKA-LMCVEBPVSA-N 2 1 224.348 0.830 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CCCCC[NH3+])C1 ZINC000844188473 645315512 /nfs/dbraw/zinc/31/55/12/645315512.db2.gz UJHMGKIEODYKLN-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000844188991 645315846 /nfs/dbraw/zinc/31/58/46/645315846.db2.gz DOAFATKFGGXHIO-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000844185030 645317518 /nfs/dbraw/zinc/31/75/18/645317518.db2.gz DJCBSQKFFDXYRB-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP COC(=O)[C@]1(F)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753175 645488370 /nfs/dbraw/zinc/48/83/70/645488370.db2.gz AIKWNVBHFUNALY-JQWIXIFHSA-N 2 1 244.310 0.573 20 0 BCADMP COC(=O)[C@@]1(F)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753174 645489046 /nfs/dbraw/zinc/48/90/46/645489046.db2.gz AIKWNVBHFUNALY-CMPLNLGQSA-N 2 1 244.310 0.573 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429762 645733979 /nfs/dbraw/zinc/73/39/79/645733979.db2.gz RVTLXEODLYPVEC-UTLUCORTSA-N 2 1 213.325 0.145 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425121 645742535 /nfs/dbraw/zinc/74/25/35/645742535.db2.gz HBSOCWRSQABMFL-VWYCJHECSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928454357 645775197 /nfs/dbraw/zinc/77/51/97/645775197.db2.gz ZAPKEAVCHOJOAS-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928454357 645775200 /nfs/dbraw/zinc/77/52/00/645775200.db2.gz ZAPKEAVCHOJOAS-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928454357 645775208 /nfs/dbraw/zinc/77/52/08/645775208.db2.gz ZAPKEAVCHOJOAS-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928454357 645775212 /nfs/dbraw/zinc/77/52/12/645775212.db2.gz ZAPKEAVCHOJOAS-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928453714 645775920 /nfs/dbraw/zinc/77/59/20/645775920.db2.gz YQPZSIXBPWANFY-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)CC(C)(C)C ZINC000928552785 645805716 /nfs/dbraw/zinc/80/57/16/645805716.db2.gz WMVXCZGGNMTIFU-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)CC(C)(C)C ZINC000928552785 645805720 /nfs/dbraw/zinc/80/57/20/645805720.db2.gz WMVXCZGGNMTIFU-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)CC(C)(C)C ZINC000928552785 645805724 /nfs/dbraw/zinc/80/57/24/645805724.db2.gz WMVXCZGGNMTIFU-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)CC(C)(C)C ZINC000928552785 645805733 /nfs/dbraw/zinc/80/57/33/645805733.db2.gz WMVXCZGGNMTIFU-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924538851 646060106 /nfs/dbraw/zinc/06/01/06/646060106.db2.gz DELAZYKDELMMLY-VIFPVBQESA-N 2 1 213.325 0.052 20 0 BCADMP Nc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000929313322 646074258 /nfs/dbraw/zinc/07/42/58/646074258.db2.gz UWGPWICHYSDPOD-QWRGUYRKSA-N 2 1 218.304 0.315 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929470815 646131010 /nfs/dbraw/zinc/13/10/10/646131010.db2.gz OZZSWRKQZFJTSI-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929470815 646131014 /nfs/dbraw/zinc/13/10/14/646131014.db2.gz OZZSWRKQZFJTSI-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924988989 646152436 /nfs/dbraw/zinc/15/24/36/646152436.db2.gz FDVQHGZFECQMAQ-FRRDWIJNSA-N 2 1 244.379 0.560 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637701 646216380 /nfs/dbraw/zinc/21/63/80/646216380.db2.gz MZLKBSNEGIFNSN-LLVKDONJSA-N 2 1 230.352 0.531 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929723092 646274126 /nfs/dbraw/zinc/27/41/26/646274126.db2.gz RZYUWDVBINNHQQ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929723092 646274129 /nfs/dbraw/zinc/27/41/29/646274129.db2.gz RZYUWDVBINNHQQ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000929723092 646274135 /nfs/dbraw/zinc/27/41/35/646274135.db2.gz RZYUWDVBINNHQQ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000929723092 646274137 /nfs/dbraw/zinc/27/41/37/646274137.db2.gz RZYUWDVBINNHQQ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CCc1nncn1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925515977 646310091 /nfs/dbraw/zinc/31/00/91/646310091.db2.gz QUFPPCNMLCJFOS-QWRGUYRKSA-N 2 1 237.351 0.571 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000925515240 646311597 /nfs/dbraw/zinc/31/15/97/646311597.db2.gz QOQYCDZOFIHXLO-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925520322 646313654 /nfs/dbraw/zinc/31/36/54/646313654.db2.gz XCLBGODCTKFEMN-GFCCVEGCSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CCOCC1 ZINC000925526686 646316435 /nfs/dbraw/zinc/31/64/35/646316435.db2.gz OJAZAOSPORAOJB-VXGBXAGGSA-N 2 1 241.379 0.437 20 0 BCADMP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925537861 646321291 /nfs/dbraw/zinc/32/12/91/646321291.db2.gz ONOGTNKYXNDYHU-RYUDHWBXSA-N 2 1 239.363 0.049 20 0 BCADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553553 646331664 /nfs/dbraw/zinc/33/16/64/646331664.db2.gz QQEUUUMSZQXQDS-RWMBFGLXSA-N 2 1 239.363 0.191 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925560854 646336045 /nfs/dbraw/zinc/33/60/45/646336045.db2.gz NXSUPAHNJMSAAV-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925578385 646343671 /nfs/dbraw/zinc/34/36/71/646343671.db2.gz VUNAKTVLCPGQOB-LLVKDONJSA-N 2 1 229.368 0.295 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925578820 646344222 /nfs/dbraw/zinc/34/42/22/646344222.db2.gz YTRZNAIFSCPAOU-WCQGTBRESA-N 2 1 249.362 0.631 20 0 BCADMP OC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925609520 646361051 /nfs/dbraw/zinc/36/10/51/646361051.db2.gz VIAMHGYKCYWZGJ-SNVBAGLBSA-N 2 1 210.321 0.776 20 0 BCADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925613177 646363519 /nfs/dbraw/zinc/36/35/19/646363519.db2.gz ARGIDDYQPKNXNT-XVZUFCMUSA-N 2 1 234.343 0.509 20 0 BCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925618787 646365552 /nfs/dbraw/zinc/36/55/52/646365552.db2.gz JSAAYNJZFVMPEB-FRRDWIJNSA-N 2 1 241.379 0.293 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000925616727 646365607 /nfs/dbraw/zinc/36/56/07/646365607.db2.gz NJPSIQZLLMZKDS-DRZSPHRISA-N 2 1 242.363 0.504 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925619190 646367409 /nfs/dbraw/zinc/36/74/09/646367409.db2.gz LINUQSZATFPQOH-QWRGUYRKSA-N 2 1 212.337 0.878 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925626667 646371224 /nfs/dbraw/zinc/37/12/24/646371224.db2.gz SGGDLBDZEXNNPV-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP COC[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925632654 646376873 /nfs/dbraw/zinc/37/68/73/646376873.db2.gz XFKRZWIEGRRJBE-ZNSALQAWSA-N 2 1 210.321 0.607 20 0 BCADMP C[N@@H+]1CC=C(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634384 646378074 /nfs/dbraw/zinc/37/80/74/646378074.db2.gz HVWMCOZWJDQYAY-GFCCVEGCSA-N 2 1 223.364 0.978 20 0 BCADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634384 646378077 /nfs/dbraw/zinc/37/80/77/646378077.db2.gz HVWMCOZWJDQYAY-GFCCVEGCSA-N 3 1 223.364 0.978 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634384 646378084 /nfs/dbraw/zinc/37/80/84/646378084.db2.gz HVWMCOZWJDQYAY-GFCCVEGCSA-N 3 1 223.364 0.978 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668422 646389520 /nfs/dbraw/zinc/38/95/20/646389520.db2.gz HDFUNAUXMWYPNP-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925662531 646398727 /nfs/dbraw/zinc/39/87/27/646398727.db2.gz IXKCSOSJDOUDDG-DCAQKATOSA-N 2 1 237.347 0.528 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668031 646398797 /nfs/dbraw/zinc/39/87/97/646398797.db2.gz FNVZOEOTTCJIPJ-NEPJUHHUSA-N 2 1 229.368 0.293 20 0 BCADMP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925662528 646398863 /nfs/dbraw/zinc/39/88/63/646398863.db2.gz IXKCSOSJDOUDDG-AXFHLTTASA-N 2 1 237.347 0.528 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000925664617 646399021 /nfs/dbraw/zinc/39/90/21/646399021.db2.gz ZOEAMWMPSGLPAM-GFCCVEGCSA-N 2 1 223.364 0.978 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925680669 646409641 /nfs/dbraw/zinc/40/96/41/646409641.db2.gz KJZOCNHEDYMRTJ-FDYHWXHSSA-N 2 1 242.363 0.768 20 0 BCADMP CC1(C)CCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925684373 646410434 /nfs/dbraw/zinc/41/04/34/646410434.db2.gz HTJHEDLKKUIBBC-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925686373 646413356 /nfs/dbraw/zinc/41/33/56/646413356.db2.gz SKUPHKONDHVJSJ-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CNCCOC2)C1 ZINC000925686373 646413362 /nfs/dbraw/zinc/41/33/62/646413362.db2.gz SKUPHKONDHVJSJ-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CNCCOC2)C1 ZINC000925686373 646413366 /nfs/dbraw/zinc/41/33/66/646413366.db2.gz SKUPHKONDHVJSJ-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP Cc1nccn1CCC[N@H+](C)C[C@H](O)[C@H](C)O ZINC000930060590 646414586 /nfs/dbraw/zinc/41/45/86/646414586.db2.gz MRSANTBWVXXTGZ-JQWIXIFHSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000930060590 646414589 /nfs/dbraw/zinc/41/45/89/646414589.db2.gz MRSANTBWVXXTGZ-JQWIXIFHSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)[C@H](C)O ZINC000930060590 646414591 /nfs/dbraw/zinc/41/45/91/646414591.db2.gz MRSANTBWVXXTGZ-JQWIXIFHSA-N 2 1 241.335 0.255 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000925702493 646427539 /nfs/dbraw/zinc/42/75/39/646427539.db2.gz AOXCRBMILAQSDJ-BJDJZHNGSA-N 3 1 211.353 0.844 20 0 BCADMP C[C@@H](N[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000925704575 646429193 /nfs/dbraw/zinc/42/91/93/646429193.db2.gz YUOKIEZZVLAOJI-ZJUUUORDSA-N 2 1 200.326 0.999 20 0 BCADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925714547 646438678 /nfs/dbraw/zinc/43/86/78/646438678.db2.gz ZHXJCCBOIZNEKD-ZDUSSCGKSA-N 2 1 243.395 0.542 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CCOC1 ZINC000925712640 646438736 /nfs/dbraw/zinc/43/87/36/646438736.db2.gz ICCCLDCSWMFUDZ-UMSGYPCISA-N 2 1 242.363 0.768 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717160 646440868 /nfs/dbraw/zinc/44/08/68/646440868.db2.gz FOFOPVLXGPZCEY-IVZWLZJFSA-N 2 1 241.335 0.254 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925718146 646442659 /nfs/dbraw/zinc/44/26/59/646442659.db2.gz HLJGJWLKTUAWDG-GFCCVEGCSA-N 3 1 241.379 0.487 20 0 BCADMP CC(C)([NH3+])CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925738055 646460741 /nfs/dbraw/zinc/46/07/41/646460741.db2.gz MJJGBFICSZQTHB-ZACCUICWSA-N 3 1 211.353 0.986 20 0 BCADMP COC[C@@H](CCC[NH3+])NCc1cc(N)cc[nH+]1 ZINC000925766338 646468361 /nfs/dbraw/zinc/46/83/61/646468361.db2.gz JCEXEIUSICSWMT-LLVKDONJSA-N 3 1 238.335 0.507 20 0 BCADMP CC[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000925775885 646475420 /nfs/dbraw/zinc/47/54/20/646475420.db2.gz BSYNWMNAXWFFHA-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925785342 646480980 /nfs/dbraw/zinc/48/09/80/646480980.db2.gz WJZDYNBEXPPJTH-FVCCEPFGSA-N 2 1 223.364 0.811 20 0 BCADMP CN1C[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000925807505 646490095 /nfs/dbraw/zinc/49/00/95/646490095.db2.gz BGLGWXWZYKNDRB-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925828443 646498077 /nfs/dbraw/zinc/49/80/77/646498077.db2.gz XMNSSENXASVLKJ-OUAUKWLOSA-N 2 1 210.321 0.896 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925829845 646499267 /nfs/dbraw/zinc/49/92/67/646499267.db2.gz AFWKXTFBTZVCHW-WYUUTHIRSA-N 2 1 240.347 0.520 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000925831411 646501126 /nfs/dbraw/zinc/50/11/26/646501126.db2.gz ITLCFVNUYPZIFX-KVSVUVNWSA-N 2 1 240.347 0.520 20 0 BCADMP O=C1C[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)CN1 ZINC000925840824 646507084 /nfs/dbraw/zinc/50/70/84/646507084.db2.gz XVVCTOUQFQSHEO-QWRGUYRKSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[C@@H]21 ZINC000925865313 646516373 /nfs/dbraw/zinc/51/63/73/646516373.db2.gz GGQOSDDEPYNHRY-BJDJZHNGSA-N 2 1 225.336 0.352 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880111 646528871 /nfs/dbraw/zinc/52/88/71/646528871.db2.gz OGELHLRZPFDCJG-KXNHARMFSA-N 2 1 223.364 0.973 20 0 BCADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ncco1 ZINC000926252652 646605701 /nfs/dbraw/zinc/60/57/01/646605701.db2.gz FYIRAHAPHKBDPW-SNVBAGLBSA-N 2 1 227.308 0.903 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893774 711544357 /nfs/dbraw/zinc/54/43/57/711544357.db2.gz DDMFPJLOZLGJLR-MXWKQRLJSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1CC[NH3+] ZINC000723882834 711543551 /nfs/dbraw/zinc/54/35/51/711543551.db2.gz LQYROXKPFPORDI-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724921174 711628659 /nfs/dbraw/zinc/62/86/59/711628659.db2.gz KXMWOQHPGDDYNO-IJLUTSLNSA-N 2 1 228.336 0.604 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724913208 711626911 /nfs/dbraw/zinc/62/69/11/711626911.db2.gz FPDHMZKQPLDYCE-GHMZBOCLSA-N 2 1 214.309 0.073 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724914137 711627547 /nfs/dbraw/zinc/62/75/47/711627547.db2.gz JGMZBHJEWQXMMM-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779438 /nfs/dbraw/zinc/77/94/38/711779438.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779439 /nfs/dbraw/zinc/77/94/39/711779439.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779441 /nfs/dbraw/zinc/77/94/41/711779441.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779459 /nfs/dbraw/zinc/77/94/59/711779459.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779461 /nfs/dbraw/zinc/77/94/61/711779461.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779462 /nfs/dbraw/zinc/77/94/62/711779462.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396608609 711785515 /nfs/dbraw/zinc/78/55/15/711785515.db2.gz PVPXSUDMXOEIGS-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP COCC[NH2+]C1CC[NH+](C[C@@H](C)O)CC1 ZINC000379922808 711814626 /nfs/dbraw/zinc/81/46/26/711814626.db2.gz JALIIOKCMGJIBF-SNVBAGLBSA-N 2 1 216.325 0.068 20 0 BCADMP C[N@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000700176401 711987319 /nfs/dbraw/zinc/98/73/19/711987319.db2.gz ZBHURYXBHWFOGT-SNVBAGLBSA-N 2 1 210.325 0.267 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1(C)COC1 ZINC000702971326 712062526 /nfs/dbraw/zinc/06/25/26/712062526.db2.gz GJFTXOQZDHNGRE-LBPRGKRZSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705660749 712135366 /nfs/dbraw/zinc/13/53/66/712135366.db2.gz VLFGZEFEIHVTFU-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567655 712149999 /nfs/dbraw/zinc/14/99/99/712149999.db2.gz AFPRHAMFSPIXGF-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708202505 712183696 /nfs/dbraw/zinc/18/36/96/712183696.db2.gz BOOOOYWJCWCYNK-GMTAPVOTSA-N 2 1 227.352 0.428 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709038923 712205942 /nfs/dbraw/zinc/20/59/42/712205942.db2.gz MUZRCTRPFXDUDX-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709038923 712205945 /nfs/dbraw/zinc/20/59/45/712205945.db2.gz MUZRCTRPFXDUDX-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709055614 712206691 /nfs/dbraw/zinc/20/66/91/712206691.db2.gz BAFQIJHZGQJCMY-MNOVXSKESA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H](O)C[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000709421853 712221176 /nfs/dbraw/zinc/22/11/76/712221176.db2.gz JRUGGCKDESBCDT-SNVBAGLBSA-N 2 1 212.337 0.974 20 0 BCADMP Cn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709496326 712223357 /nfs/dbraw/zinc/22/33/57/712223357.db2.gz XUFDHQCDKMRPOU-ZACCUICWSA-N 2 1 220.320 0.793 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)CCCCCC[NH3+] ZINC000710751613 712256178 /nfs/dbraw/zinc/25/61/78/712256178.db2.gz UHMZAODEGCUSIA-UHFFFAOYSA-N 2 1 229.368 0.916 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NCC1CC1 ZINC000710751499 712256856 /nfs/dbraw/zinc/25/68/56/712256856.db2.gz SPSHFPWSAWDHTK-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000710910902 712262738 /nfs/dbraw/zinc/26/27/38/712262738.db2.gz NBRXXFLENMGEFE-PWSUYJOCSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874988 712282444 /nfs/dbraw/zinc/28/24/44/712282444.db2.gz QFVUUGYHWIZUQM-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874988 712282446 /nfs/dbraw/zinc/28/24/46/712282446.db2.gz QFVUUGYHWIZUQM-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CF)C1 ZINC000711449831 712301508 /nfs/dbraw/zinc/30/15/08/712301508.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449831 712301510 /nfs/dbraw/zinc/30/15/10/712301510.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449831 712301511 /nfs/dbraw/zinc/30/15/11/712301511.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 1 232.343 0.981 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711466092 712302471 /nfs/dbraw/zinc/30/24/71/712302471.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 1 248.342 0.217 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711466095 712302539 /nfs/dbraw/zinc/30/25/39/712302539.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 1 248.342 0.217 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378709189 712358285 /nfs/dbraw/zinc/35/82/85/712358285.db2.gz RTQWJFBTWORIPP-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378709189 712358287 /nfs/dbraw/zinc/35/82/87/712358287.db2.gz RTQWJFBTWORIPP-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379340583 712375315 /nfs/dbraw/zinc/37/53/15/712375315.db2.gz LWPYUVJZCFPDQH-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379340583 712375317 /nfs/dbraw/zinc/37/53/17/712375317.db2.gz LWPYUVJZCFPDQH-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CC[N@H+]1C ZINC000712611931 712437503 /nfs/dbraw/zinc/43/75/03/712437503.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 1 211.353 0.763 20 0 BCADMP C[N@H+]1CCN(C(=O)C(C)(C)C[NH3+])CCC1(C)C ZINC000712670391 712440391 /nfs/dbraw/zinc/44/03/91/712440391.db2.gz JFZNISIBHPTPEO-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000712537444 712442655 /nfs/dbraw/zinc/44/26/55/712442655.db2.gz DINKMWLOYZJGMD-SECBINFHSA-N 2 1 221.308 0.873 20 0 BCADMP CN1CC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000712555854 712445219 /nfs/dbraw/zinc/44/52/19/712445219.db2.gz HZFBAKTUVLCHOC-CYBMUJFWSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712554821 712445301 /nfs/dbraw/zinc/44/53/01/712445301.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 1 223.364 0.905 20 0 BCADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000716416841 712559586 /nfs/dbraw/zinc/55/95/86/712559586.db2.gz XELQHRKAZUTREO-LBPRGKRZSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010512 712736217 /nfs/dbraw/zinc/73/62/17/712736217.db2.gz INAFSPVLFWBNBU-KKOKHZNYSA-N 2 1 239.363 0.700 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718546221 712768733 /nfs/dbraw/zinc/76/87/33/712768733.db2.gz COHHKIZKFMNBEJ-AGVGLQIMSA-N 2 1 225.336 0.371 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719255205 712801973 /nfs/dbraw/zinc/80/19/73/712801973.db2.gz RBDNPYLAIYYOAN-YOGCLGLASA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])CCO1 ZINC000719771402 712824183 /nfs/dbraw/zinc/82/41/83/712824183.db2.gz VVEYWZDNFGUYNL-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900861 712875052 /nfs/dbraw/zinc/87/50/52/712875052.db2.gz RULDLJZECXBJEE-WDEREUQCSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884557 712874644 /nfs/dbraw/zinc/87/46/44/712874644.db2.gz CCRCQZDKMZPGLD-ZJUUUORDSA-N 2 1 223.320 0.173 20 0 BCADMP O=C1OCC[C@@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393742159 710671661 /nfs/dbraw/zinc/67/16/61/710671661.db2.gz CLBRZPNKHJJMET-GARJFASQSA-N 2 1 224.304 0.091 20 0 BCADMP CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030333 710716626 /nfs/dbraw/zinc/71/66/26/710716626.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030333 710716630 /nfs/dbraw/zinc/71/66/30/710716630.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030333 710716635 /nfs/dbraw/zinc/71/66/35/710716635.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030338 710718349 /nfs/dbraw/zinc/71/83/49/710718349.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030338 710718350 /nfs/dbraw/zinc/71/83/50/710718350.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030338 710718353 /nfs/dbraw/zinc/71/83/53/710718353.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723941373 710734316 /nfs/dbraw/zinc/73/43/16/710734316.db2.gz HRKZNLBJAPRAFB-MWLCHTKSSA-N 2 1 222.336 0.755 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723941373 710734320 /nfs/dbraw/zinc/73/43/20/710734320.db2.gz HRKZNLBJAPRAFB-MWLCHTKSSA-N 2 1 222.336 0.755 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724564296 710741715 /nfs/dbraw/zinc/74/17/15/710741715.db2.gz VJNFHTDFTRRXRT-USZNOCQGSA-N 2 1 226.320 0.071 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)C1CC([NH3+])C1 ZINC000724935640 710750217 /nfs/dbraw/zinc/75/02/17/710750217.db2.gz IJSZEVHUMZCCIN-VQXHTEKXSA-N 2 1 214.309 0.213 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043878782 710814675 /nfs/dbraw/zinc/81/46/75/710814675.db2.gz BBRVTVLXIPYFMP-CMPLNLGQSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043878782 710814678 /nfs/dbraw/zinc/81/46/78/710814678.db2.gz BBRVTVLXIPYFMP-CMPLNLGQSA-N 2 1 239.363 0.347 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396683000 710907491 /nfs/dbraw/zinc/90/74/91/710907491.db2.gz WTNSOKXTQHACBE-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000383772112 710915821 /nfs/dbraw/zinc/91/58/21/710915821.db2.gz NKYSIOLPGLLRLF-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383791524 710936122 /nfs/dbraw/zinc/93/61/22/710936122.db2.gz RDHHLIIRXREAJI-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1C[NH3+] ZINC000133080231 710968237 /nfs/dbraw/zinc/96/82/37/710968237.db2.gz KHNUPTLSQLOMSO-NWDGAFQWSA-N 2 1 222.336 0.800 20 0 BCADMP C[N@H+](CCCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000384867699 710998922 /nfs/dbraw/zinc/99/89/22/710998922.db2.gz QXAZENNZJCEFQR-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@@H+](CCCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000384867699 710998923 /nfs/dbraw/zinc/99/89/23/710998923.db2.gz QXAZENNZJCEFQR-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000385043014 711004728 /nfs/dbraw/zinc/00/47/28/711004728.db2.gz OMHSUKSGZYXKJQ-JTQLQIEISA-N 2 1 216.325 0.319 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000147414713 711009883 /nfs/dbraw/zinc/00/98/83/711009883.db2.gz SRLZDYYUQCUDMJ-VGMNWLOBSA-N 2 1 240.269 0.969 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000147414713 711009887 /nfs/dbraw/zinc/00/98/87/711009887.db2.gz SRLZDYYUQCUDMJ-VGMNWLOBSA-N 2 1 240.269 0.969 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000386599276 711033612 /nfs/dbraw/zinc/03/36/12/711033612.db2.gz UGBAGDHZOWQHCN-LLVKDONJSA-N 2 1 224.352 0.752 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH2+]CC)C1 ZINC000389170773 711072266 /nfs/dbraw/zinc/07/22/66/711072266.db2.gz NUSLUNWQUXDELM-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000389605355 711081646 /nfs/dbraw/zinc/08/16/46/711081646.db2.gz XVIAGXSQTQWQHZ-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000389605355 711081648 /nfs/dbraw/zinc/08/16/48/711081648.db2.gz XVIAGXSQTQWQHZ-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000389605355 711081654 /nfs/dbraw/zinc/08/16/54/711081654.db2.gz XVIAGXSQTQWQHZ-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390638645 711129390 /nfs/dbraw/zinc/12/93/90/711129390.db2.gz MJJZFWPXKUHIOV-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+]1CCN(C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624255 711129639 /nfs/dbraw/zinc/12/96/39/711129639.db2.gz GSVGQZNXUHCBBA-SECBINFHSA-N 2 1 235.322 0.995 20 0 BCADMP C[N@@H+]1CC=C(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392236603 711143036 /nfs/dbraw/zinc/14/30/36/711143036.db2.gz JUKJEDZQEOQXQZ-XPABHHOTSA-N 2 1 247.386 0.834 20 0 BCADMP C[N@H+]1CC=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392236603 711143038 /nfs/dbraw/zinc/14/30/38/711143038.db2.gz JUKJEDZQEOQXQZ-XPABHHOTSA-N 3 1 247.386 0.834 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392236603 711143039 /nfs/dbraw/zinc/14/30/39/711143039.db2.gz JUKJEDZQEOQXQZ-XPABHHOTSA-N 3 1 247.386 0.834 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000393728075 711171798 /nfs/dbraw/zinc/17/17/98/711171798.db2.gz JTUIPJYLPQJTJJ-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000393728075 711171801 /nfs/dbraw/zinc/17/18/01/711171801.db2.gz JTUIPJYLPQJTJJ-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP CC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000393895434 711178098 /nfs/dbraw/zinc/17/80/98/711178098.db2.gz IHDBXFPXRRGABL-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000396612469 711361054 /nfs/dbraw/zinc/36/10/54/711361054.db2.gz FDSFUACJDMPJAN-BDAKNGLRSA-N 2 1 213.325 0.228 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396666811 711361309 /nfs/dbraw/zinc/36/13/09/711361309.db2.gz PCRSFZRZUOLOBK-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000396612475 711361630 /nfs/dbraw/zinc/36/16/30/711361630.db2.gz FDSFUACJDMPJAN-RKDXNWHRSA-N 2 1 213.325 0.228 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396554183 711353194 /nfs/dbraw/zinc/35/31/94/711353194.db2.gz FXXKTUJIVRVQDJ-NAKRPEOUSA-N 2 1 200.326 0.876 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396543562 711353579 /nfs/dbraw/zinc/35/35/79/711353579.db2.gz BJVKNPYJUDKIHP-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396581692 711357188 /nfs/dbraw/zinc/35/71/88/711357188.db2.gz PLKNZAHEQNVPKX-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCO ZINC000396586578 711357792 /nfs/dbraw/zinc/35/77/92/711357792.db2.gz RJQOIDWFFHCITO-QWRGUYRKSA-N 2 1 200.326 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CO ZINC000396605757 711359071 /nfs/dbraw/zinc/35/90/71/711359071.db2.gz ZCIWVSKZYFSSLH-UWVGGRQHSA-N 2 1 200.326 0.735 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](C(COC)COC)C1 ZINC000384974159 711001098 /nfs/dbraw/zinc/00/10/98/711001098.db2.gz PTESFFQSUJOYHZ-NSHDSACASA-N 2 1 230.352 0.579 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000385008641 711003357 /nfs/dbraw/zinc/00/33/57/711003357.db2.gz XGSRWIZJBSYNFU-UHTWSYAYSA-N 2 1 242.363 0.707 20 0 BCADMP COCCOCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396675445 711362397 /nfs/dbraw/zinc/36/23/97/711362397.db2.gz SQCGAVCLFMYBJR-NWDGAFQWSA-N 2 1 230.352 0.770 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396640779 711362886 /nfs/dbraw/zinc/36/28/86/711362886.db2.gz MQFSVGSWNSDXPU-GRYCIOLGSA-N 2 1 214.353 0.981 20 0 BCADMP COCCOCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396675446 711363496 /nfs/dbraw/zinc/36/34/96/711363496.db2.gz SQCGAVCLFMYBJR-RYUDHWBXSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000396721567 711366657 /nfs/dbraw/zinc/36/66/57/711366657.db2.gz WGGMVTACYALAFK-MNOVXSKESA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000396721570 711367096 /nfs/dbraw/zinc/36/70/96/711367096.db2.gz WGGMVTACYALAFK-QWRGUYRKSA-N 2 1 212.337 0.879 20 0 BCADMP COC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000397304907 711380520 /nfs/dbraw/zinc/38/05/20/711380520.db2.gz HKACEPXHFIFNHG-VZKILSJISA-N 2 1 236.359 0.997 20 0 BCADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCOC1 ZINC000397748365 711391160 /nfs/dbraw/zinc/39/11/60/711391160.db2.gz ZYTHQKDDPCRDSW-MEBFFEOJSA-N 2 1 234.343 0.919 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543739 711463667 /nfs/dbraw/zinc/46/36/67/711463667.db2.gz XHXRGBPYNSZPPE-AOOOYVTPSA-N 2 1 200.351 0.891 20 0 BCADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N(C)C ZINC000036794205 711479366 /nfs/dbraw/zinc/47/93/66/711479366.db2.gz GGCPRNHWHZKKPG-YEJSDXFRSA-N 2 1 239.363 0.678 20 0 BCADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC000036794205 711479369 /nfs/dbraw/zinc/47/93/69/711479369.db2.gz GGCPRNHWHZKKPG-YEJSDXFRSA-N 2 1 239.363 0.678 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000723699451 711535060 /nfs/dbraw/zinc/53/50/60/711535060.db2.gz SCXASFZUQLIIEN-HTQZYQBOSA-N 2 1 226.242 0.580 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723866427 711540260 /nfs/dbraw/zinc/54/02/60/711540260.db2.gz KDKLZVLIDZNOOZ-GMTAPVOTSA-N 2 1 228.336 0.855 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723866427 711540263 /nfs/dbraw/zinc/54/02/63/711540263.db2.gz KDKLZVLIDZNOOZ-GMTAPVOTSA-N 2 1 228.336 0.855 20 0 BCADMP Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723882508 711543248 /nfs/dbraw/zinc/54/32/48/711543248.db2.gz IUGRTTNNNQFTLL-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CC[NH3+] ZINC000723886377 711543487 /nfs/dbraw/zinc/54/34/87/711543487.db2.gz KLNAGWDEYIZQEE-NXEZZACHSA-N 2 1 225.336 0.182 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000724158549 711565411 /nfs/dbraw/zinc/56/54/11/711565411.db2.gz YCOQJZMRIKSZOY-QJPTWQEYSA-N 2 1 240.347 0.617 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724562638 711592265 /nfs/dbraw/zinc/59/22/65/711592265.db2.gz LGKQFAXFSFDYDH-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724562638 711592267 /nfs/dbraw/zinc/59/22/67/711592267.db2.gz LGKQFAXFSFDYDH-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724562641 711592468 /nfs/dbraw/zinc/59/24/68/711592468.db2.gz LGKQFAXFSFDYDH-WOPDTQHZSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724562641 711592470 /nfs/dbraw/zinc/59/24/70/711592470.db2.gz LGKQFAXFSFDYDH-WOPDTQHZSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724562640 711592577 /nfs/dbraw/zinc/59/25/77/711592577.db2.gz LGKQFAXFSFDYDH-SRVKXCTJSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724562640 711592578 /nfs/dbraw/zinc/59/25/78/711592578.db2.gz LGKQFAXFSFDYDH-SRVKXCTJSA-N 2 1 228.336 0.332 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562480 711592604 /nfs/dbraw/zinc/59/26/04/711592604.db2.gz GYAKILAVYQDLAT-CYDGBPFRSA-N 2 1 240.347 0.461 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000724564246 711592811 /nfs/dbraw/zinc/59/28/11/711592811.db2.gz RRGRMOXLNBTELK-SDDRHHMPSA-N 2 1 242.363 0.707 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCO[C@H]1CCOC1 ZINC000724921178 711628618 /nfs/dbraw/zinc/62/86/18/711628618.db2.gz KXMWOQHPGDDYNO-WOPDTQHZSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724920454 711628728 /nfs/dbraw/zinc/62/87/28/711628728.db2.gz GEYIRBZPLGPJTF-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724920457 711628797 /nfs/dbraw/zinc/62/87/97/711628797.db2.gz GEYIRBZPLGPJTF-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724921172 711628839 /nfs/dbraw/zinc/62/88/39/711628839.db2.gz KXMWOQHPGDDYNO-GRYCIOLGSA-N 2 1 228.336 0.604 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000724960435 711634182 /nfs/dbraw/zinc/63/41/82/711634182.db2.gz NSNVNGNAASWKOY-RNJOBUHISA-N 2 1 240.347 0.604 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724957232 711634641 /nfs/dbraw/zinc/63/46/41/711634641.db2.gz VITXSTSOVCRUPH-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000724960437 711634660 /nfs/dbraw/zinc/63/46/60/711634660.db2.gz NSNVNGNAASWKOY-ZDEQEGDKSA-N 2 1 240.347 0.604 20 0 BCADMP CC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725050306 711647092 /nfs/dbraw/zinc/64/70/92/711647092.db2.gz ZDOKZWGBQDNMBC-JTQLQIEISA-N 2 1 216.325 0.197 20 0 BCADMP COCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000393852397 711679344 /nfs/dbraw/zinc/67/93/44/711679344.db2.gz UVXLDRUYOVQSEO-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP COCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000393852397 711679346 /nfs/dbraw/zinc/67/93/46/711679346.db2.gz UVXLDRUYOVQSEO-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587808 711702413 /nfs/dbraw/zinc/70/24/13/711702413.db2.gz AYOOATVLPUPGEK-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP COCCOC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893302967 711704517 /nfs/dbraw/zinc/70/45/17/711704517.db2.gz JDXLWYIMFSZZAX-LBPRGKRZSA-N 2 1 242.363 0.889 20 0 BCADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722184859 711717960 /nfs/dbraw/zinc/71/79/60/711717960.db2.gz XHRDUMOTYLRLPR-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239953 711782527 /nfs/dbraw/zinc/78/25/27/711782527.db2.gz BAQVDYOIWKYZJN-UHFFFAOYSA-N 2 1 213.369 0.870 20 0 BCADMP CN(C)c1nc(N[C@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000721867267 711792693 /nfs/dbraw/zinc/79/26/93/711792693.db2.gz RIBGCSNODSCZAF-VIFPVBQESA-N 2 1 235.335 0.953 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160057095 711805498 /nfs/dbraw/zinc/80/54/98/711805498.db2.gz OEDGSFOZYDSVSH-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CN(C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000160038233 711805741 /nfs/dbraw/zinc/80/57/41/711805741.db2.gz XNDKNNJGTIPQGS-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H](C1CC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929258960 711950328 /nfs/dbraw/zinc/95/03/28/711950328.db2.gz KSENJUNUZNLLFS-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP COC(=O)N(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000701694175 712027900 /nfs/dbraw/zinc/02/79/00/712027900.db2.gz VNILOWRRUZUUII-NXEZZACHSA-N 2 1 229.324 0.415 20 0 BCADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]cc3CO)C[C@]2(C)C1 ZINC000702287530 712044775 /nfs/dbraw/zinc/04/47/75/712044775.db2.gz MCCBFVXKVJTISV-OCCSQVGLSA-N 2 1 247.342 0.962 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702378803 712049103 /nfs/dbraw/zinc/04/91/03/712049103.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 1 237.391 0.725 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053293 /nfs/dbraw/zinc/05/32/93/712053293.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 3 1 223.364 0.607 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053295 /nfs/dbraw/zinc/05/32/95/712053295.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 3 1 223.364 0.607 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053296 /nfs/dbraw/zinc/05/32/96/712053296.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 3 1 223.364 0.607 20 0 BCADMP CN1C[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053299 /nfs/dbraw/zinc/05/32/99/712053299.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 2 1 223.364 0.607 20 0 BCADMP CN1C[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053301 /nfs/dbraw/zinc/05/33/01/712053301.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 2 1 223.364 0.607 20 0 BCADMP C[C@@H]1OC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000702605859 712056628 /nfs/dbraw/zinc/05/66/28/712056628.db2.gz XINZXTYQHOKMJP-NOOOWODRSA-N 2 1 228.336 0.066 20 0 BCADMP C[C@@H]1OC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000702605859 712056629 /nfs/dbraw/zinc/05/66/29/712056629.db2.gz XINZXTYQHOKMJP-NOOOWODRSA-N 2 1 228.336 0.066 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@H]3CNOC3)CC[N@H+]2C1 ZINC000703308449 712071787 /nfs/dbraw/zinc/07/17/87/712071787.db2.gz CDOYFWYNQUASSM-GARJFASQSA-N 2 1 211.309 0.106 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703567230 712080389 /nfs/dbraw/zinc/08/03/89/712080389.db2.gz AYTWDCNINUTMEX-YNEHKIRRSA-N 2 1 242.363 0.314 20 0 BCADMP COC1CC(C[N@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000703816444 712089550 /nfs/dbraw/zinc/08/95/50/712089550.db2.gz AMKMOUMRSGEWIU-UHFFFAOYSA-N 2 1 210.321 0.835 20 0 BCADMP COC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705682241 712133934 /nfs/dbraw/zinc/13/39/34/712133934.db2.gz VPBLHZWTXZIHRL-CHWSQXEVSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660753 712134998 /nfs/dbraw/zinc/13/49/98/712134998.db2.gz VLFGZEFEIHVTFU-WOPDTQHZSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707235754 712167198 /nfs/dbraw/zinc/16/71/98/712167198.db2.gz TVWVBMMUFKYNNR-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOCC23CCC3)C1 ZINC000707459566 712170801 /nfs/dbraw/zinc/17/08/01/712170801.db2.gz HIXMVWBKNXJWJG-PHIMTYICSA-N 2 1 210.321 0.979 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632846 712176037 /nfs/dbraw/zinc/17/60/37/712176037.db2.gz BOBQLYJNZPODSX-VXGBXAGGSA-N 2 1 210.321 0.851 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632846 712176038 /nfs/dbraw/zinc/17/60/38/712176038.db2.gz BOBQLYJNZPODSX-VXGBXAGGSA-N 2 1 210.321 0.851 20 0 BCADMP C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408059 712221497 /nfs/dbraw/zinc/22/14/97/712221497.db2.gz SAARUKWJNOCQIH-FBTJUVTCSA-N 2 1 209.337 0.563 20 0 BCADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408059 712221498 /nfs/dbraw/zinc/22/14/98/712221498.db2.gz SAARUKWJNOCQIH-FBTJUVTCSA-N 2 1 209.337 0.563 20 0 BCADMP C[C@@H]1CO[C@@H](CO)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000709508084 712223372 /nfs/dbraw/zinc/22/33/72/712223372.db2.gz IDQKTECSQIKMRS-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C)C1(C)CC[NH+](CCCO)CC1 ZINC000709840764 712229181 /nfs/dbraw/zinc/22/91/81/712229181.db2.gz BIQPQRBUQZQZIG-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+](C)CCCCCC[NH3+] ZINC000710713325 712254963 /nfs/dbraw/zinc/25/49/63/712254963.db2.gz GVXKFURKCWKMMA-JTQLQIEISA-N 2 1 215.341 0.701 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000710910904 712262517 /nfs/dbraw/zinc/26/25/17/712262517.db2.gz NBRXXFLENMGEFE-ZYHUDNBSSA-N 2 1 223.320 0.977 20 0 BCADMP Cn1ccnc1[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000373107282 712284528 /nfs/dbraw/zinc/28/45/28/712284528.db2.gz RETPRQHPJMMRMI-WDEREUQCSA-N 2 1 248.330 0.488 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711311156 712293716 /nfs/dbraw/zinc/29/37/16/712293716.db2.gz QPNNGBYEGPZELP-WDEREUQCSA-N 2 1 239.363 0.300 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312674 712293726 /nfs/dbraw/zinc/29/37/26/712293726.db2.gz YKMMPIVVQLKEGS-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP CN(C[C@@H](O)C[N@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303033 /nfs/dbraw/zinc/30/30/33/712303033.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303035 /nfs/dbraw/zinc/30/30/35/712303035.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303039 /nfs/dbraw/zinc/30/30/39/712303039.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 1 230.327 0.733 20 0 BCADMP FC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454072 712304021 /nfs/dbraw/zinc/30/40/21/712304021.db2.gz MKTZCSNJYGBCNV-QWRGUYRKSA-N 2 1 228.311 0.799 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000711658476 712314637 /nfs/dbraw/zinc/31/46/37/712314637.db2.gz YXPQYWRPVOHXSS-WCQYABFASA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000711658476 712314639 /nfs/dbraw/zinc/31/46/39/712314639.db2.gz YXPQYWRPVOHXSS-WCQYABFASA-N 2 1 224.348 0.997 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC1CC1 ZINC000711755681 712324783 /nfs/dbraw/zinc/32/47/83/712324783.db2.gz YCHRNXOTGBTSLF-PWSUYJOCSA-N 2 1 210.321 0.849 20 0 BCADMP Nc1ncccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479647 712334720 /nfs/dbraw/zinc/33/47/20/712334720.db2.gz RJJBTCOXTRSVOO-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000378712716 712358759 /nfs/dbraw/zinc/35/87/59/712358759.db2.gz VHTPDCKPONXMHC-QQKNPXLJSA-N 2 1 236.359 0.997 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNc1ncnc(N)c1OC ZINC000712582640 712433659 /nfs/dbraw/zinc/43/36/59/712433659.db2.gz ZHNKKZGZILSBKG-MRVPVSSYSA-N 2 1 237.307 0.574 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670110 712440277 /nfs/dbraw/zinc/44/02/77/712440277.db2.gz XWGIBTDMFVIPEY-SNVBAGLBSA-N 2 1 227.352 0.666 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712675407 712440571 /nfs/dbraw/zinc/44/05/71/712440571.db2.gz YRUSBXGKCUANAU-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574853 712448213 /nfs/dbraw/zinc/44/82/13/712448213.db2.gz DNJOXHMOKWJFBS-MNOVXSKESA-N 2 1 238.339 0.122 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@H]1C[NH3+] ZINC000714537973 712494387 /nfs/dbraw/zinc/49/43/87/712494387.db2.gz WUDJOMJKBGNLHG-MNOVXSKESA-N 2 1 241.335 0.355 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715153140 712512981 /nfs/dbraw/zinc/51/29/81/712512981.db2.gz KXLASKSFOPGQEW-VGMNWLOBSA-N 2 1 247.289 0.037 20 0 BCADMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC000715477497 712520702 /nfs/dbraw/zinc/52/07/02/712520702.db2.gz ZDJUFCGVHATADV-BBBLOLIVSA-N 2 1 244.285 0.704 20 0 BCADMP COCC[N@@H+](CCOCC[NH3+])C1CCOCC1 ZINC000716414550 712559751 /nfs/dbraw/zinc/55/97/51/712559751.db2.gz BCGUGYCGYHDOMS-UHFFFAOYSA-N 2 1 246.351 0.089 20 0 BCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000930163218 712616017 /nfs/dbraw/zinc/61/60/17/712616017.db2.gz RFNVOGBNLFYPPS-HQJQHLMTSA-N 2 1 209.293 0.839 20 0 BCADMP COCC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379930143 712631740 /nfs/dbraw/zinc/63/17/40/712631740.db2.gz UJQRKGDKWFPISE-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](CCNC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000717172409 712638147 /nfs/dbraw/zinc/63/81/47/712638147.db2.gz VBEQBDUBLKQHJV-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000221246179 712658747 /nfs/dbraw/zinc/65/87/47/712658747.db2.gz AHUSVKILQMKUIK-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925495405 712698613 /nfs/dbraw/zinc/69/86/13/712698613.db2.gz NBTPVSCYAGJTQZ-PWSUYJOCSA-N 2 1 223.364 0.953 20 0 BCADMP C[NH+](C)[C@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000041299457 712719638 /nfs/dbraw/zinc/71/96/38/712719638.db2.gz VZHJIMWYEMJVOK-ZDUSSCGKSA-N 2 1 247.342 0.721 20 0 BCADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154687 712749138 /nfs/dbraw/zinc/74/91/38/712749138.db2.gz JGIYBJGLMCJHCS-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000718499715 712767005 /nfs/dbraw/zinc/76/70/05/712767005.db2.gz UTFJHEFSCFBANP-YYJSSNLHSA-N 2 1 239.363 0.761 20 0 BCADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCNCC1 ZINC000719251378 712801385 /nfs/dbraw/zinc/80/13/85/712801385.db2.gz VEEVOECGHLLTOW-YHWZYXNKSA-N 2 1 223.364 0.812 20 0 BCADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCNCC1 ZINC000719251378 712801387 /nfs/dbraw/zinc/80/13/87/712801387.db2.gz VEEVOECGHLLTOW-YHWZYXNKSA-N 2 1 223.364 0.812 20 0 BCADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000719610847 712816655 /nfs/dbraw/zinc/81/66/55/712816655.db2.gz CMTBAYFUEKZNHA-PWSUYJOCSA-N 2 1 211.353 0.763 20 0 BCADMP COC[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720743313 712863361 /nfs/dbraw/zinc/86/33/61/712863361.db2.gz WMELVIOMOZDENZ-VHSXEESVSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@@H](C)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720743313 712863362 /nfs/dbraw/zinc/86/33/62/712863362.db2.gz WMELVIOMOZDENZ-VHSXEESVSA-N 2 1 200.326 0.938 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720887330 712874538 /nfs/dbraw/zinc/87/45/38/712874538.db2.gz IGLRSSRZABZGIK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720898677 712875432 /nfs/dbraw/zinc/87/54/32/712875432.db2.gz KQCQDSXKIWEKQG-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCC[NH3+] ZINC000720901655 712875926 /nfs/dbraw/zinc/87/59/26/712875926.db2.gz SVDGVQIWFIMOCU-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP O[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000720893616 712875936 /nfs/dbraw/zinc/87/59/36/712875936.db2.gz OJWXEDZOSYKUIN-CYDGBPFRSA-N 2 1 224.348 0.974 20 0 BCADMP O[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000720893249 712875947 /nfs/dbraw/zinc/87/59/47/712875947.db2.gz NCQJNMGZOFKZQY-MJHDQNEOSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720895494 712876542 /nfs/dbraw/zinc/87/65/42/712876542.db2.gz XWGJZHOOZNRBSB-AEJSXWLSSA-N 2 1 211.309 0.029 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720896769 712876877 /nfs/dbraw/zinc/87/68/77/712876877.db2.gz DNYZAMFRMPHSFK-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040716 712888117 /nfs/dbraw/zinc/88/81/17/712888117.db2.gz XPDGHJQYBSWKFL-MNOVXSKESA-N 2 1 227.352 0.429 20 0 BCADMP CCCC[N@@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040716 712888115 /nfs/dbraw/zinc/88/81/15/712888115.db2.gz XPDGHJQYBSWKFL-MNOVXSKESA-N 2 1 227.352 0.429 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000721074592 712889867 /nfs/dbraw/zinc/88/98/67/712889867.db2.gz PVVYSHIYAWGLCF-KXNHARMFSA-N 2 1 239.363 0.428 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000044763041 168320978 /nfs/dbraw/zinc/32/09/78/168320978.db2.gz TXMBWIRDXBGUCY-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378698853 346811080 /nfs/dbraw/zinc/81/10/80/346811080.db2.gz MHKITWFNJGCXMZ-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378698853 346811081 /nfs/dbraw/zinc/81/10/81/346811081.db2.gz MHKITWFNJGCXMZ-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378698853 346811082 /nfs/dbraw/zinc/81/10/82/346811082.db2.gz MHKITWFNJGCXMZ-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378698851 346811108 /nfs/dbraw/zinc/81/11/08/346811108.db2.gz MHKITWFNJGCXMZ-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378698851 346811110 /nfs/dbraw/zinc/81/11/10/346811110.db2.gz MHKITWFNJGCXMZ-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000378698851 346811111 /nfs/dbraw/zinc/81/11/11/346811111.db2.gz MHKITWFNJGCXMZ-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)NCCC[NH3+])CC[N@H+]1C ZINC000418350737 192026678 /nfs/dbraw/zinc/02/66/78/192026678.db2.gz LQBKOQBONOTNOX-NSHDSACASA-N 2 1 242.367 0.317 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000649322813 398144630 /nfs/dbraw/zinc/14/46/30/398144630.db2.gz NXJHRDLCKMTRTP-GRYCIOLGSA-N 2 1 237.347 0.324 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000649322841 398144704 /nfs/dbraw/zinc/14/47/04/398144704.db2.gz PKDKIBWGYOBXAY-SNVBAGLBSA-N 2 1 223.320 0.078 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000161567184 349473593 /nfs/dbraw/zinc/47/35/93/349473593.db2.gz MCNNNBBLNLQEJE-RYUDHWBXSA-N 2 1 222.336 0.813 20 0 BCADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772182 349483773 /nfs/dbraw/zinc/48/37/73/349483773.db2.gz DCLSZDXICGSRTG-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000257785230 349483806 /nfs/dbraw/zinc/48/38/06/349483806.db2.gz VWAAZQCHHRAVLR-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342083 398158629 /nfs/dbraw/zinc/15/86/29/398158629.db2.gz LFIUWJKKMXVDSM-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342022 398158798 /nfs/dbraw/zinc/15/87/98/398158798.db2.gz HUECNIDAEDKLQZ-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000649342023 398158882 /nfs/dbraw/zinc/15/88/82/398158882.db2.gz HUNPEORFRSLLND-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342061 398159069 /nfs/dbraw/zinc/15/90/69/398159069.db2.gz JQAKQPYCXOYAHM-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000602324734 349505235 /nfs/dbraw/zinc/50/52/35/349505235.db2.gz LFBVAKLYHNCTSD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000602324734 349505239 /nfs/dbraw/zinc/50/52/39/349505239.db2.gz LFBVAKLYHNCTSD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000602324734 349505241 /nfs/dbraw/zinc/50/52/41/349505241.db2.gz LFBVAKLYHNCTSD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422906125 398156873 /nfs/dbraw/zinc/15/68/73/398156873.db2.gz JEQANALMMTVLKI-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422906125 398156877 /nfs/dbraw/zinc/15/68/77/398156877.db2.gz JEQANALMMTVLKI-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP COC[C@@]1(C)CN(CCn2ccnc2)CCO1 ZINC000626176187 346817116 /nfs/dbraw/zinc/81/71/16/346817116.db2.gz HLIBOWYZPAVOLU-GFCCVEGCSA-N 2 1 239.319 0.620 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000649341515 398158089 /nfs/dbraw/zinc/15/80/89/398158089.db2.gz CJGWFILFTUGRTA-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649359803 398172046 /nfs/dbraw/zinc/17/20/46/398172046.db2.gz CDGMOCPXBYQQRZ-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379860333 398172786 /nfs/dbraw/zinc/17/27/86/398172786.db2.gz LRUMUKWRRZSZFR-NSHDSACASA-N 2 1 208.309 0.623 20 0 BCADMP [NH3+]Cc1noc(C[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000647160019 398173374 /nfs/dbraw/zinc/17/33/74/398173374.db2.gz ARSCBXVGQIRCHQ-SFYZADRCSA-N 2 1 210.281 0.588 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122364239 398178529 /nfs/dbraw/zinc/17/85/29/398178529.db2.gz GNFUOPHEYSOGOD-UTLUCORTSA-N 2 1 225.336 0.323 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000415094649 398160319 /nfs/dbraw/zinc/16/03/19/398160319.db2.gz FGKUEDYMSABICU-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000380023956 398182449 /nfs/dbraw/zinc/18/24/49/398182449.db2.gz XQPUCEAVXDWOGL-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348655 398162239 /nfs/dbraw/zinc/16/22/39/398162239.db2.gz PXGIMJUDZMXHSG-RPLXWKFWSA-N 2 1 249.358 0.336 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000576237580 365533725 /nfs/dbraw/zinc/53/37/25/365533725.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000576237580 365533735 /nfs/dbraw/zinc/53/37/35/365533735.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000576237580 365533743 /nfs/dbraw/zinc/53/37/43/365533743.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000576237580 365533750 /nfs/dbraw/zinc/53/37/50/365533750.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000576281153 365549325 /nfs/dbraw/zinc/54/93/25/365549325.db2.gz VTYPWSVMABGRHO-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000576281154 365549717 /nfs/dbraw/zinc/54/97/17/365549717.db2.gz VTYPWSVMABGRHO-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP CN(CCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000649409661 398209033 /nfs/dbraw/zinc/20/90/33/398209033.db2.gz KXMZCEFBHRIVMB-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000069724581 398214234 /nfs/dbraw/zinc/21/42/34/398214234.db2.gz FNJKOLVSBMZFQG-GHMZBOCLSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000069724581 398214237 /nfs/dbraw/zinc/21/42/37/398214237.db2.gz FNJKOLVSBMZFQG-GHMZBOCLSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000576361079 365578001 /nfs/dbraw/zinc/57/80/01/365578001.db2.gz MMLJVUSBFHDLNO-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000381020956 398219395 /nfs/dbraw/zinc/21/93/95/398219395.db2.gz WGJXMSHOSUCHFF-CMPLNLGQSA-N 2 1 244.404 0.784 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000381020956 398219398 /nfs/dbraw/zinc/21/93/98/398219398.db2.gz WGJXMSHOSUCHFF-CMPLNLGQSA-N 2 1 244.404 0.784 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000381020959 398219534 /nfs/dbraw/zinc/21/95/34/398219534.db2.gz WGJXMSHOSUCHFF-JQWIXIFHSA-N 2 1 244.404 0.784 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000381020959 398219537 /nfs/dbraw/zinc/21/95/37/398219537.db2.gz WGJXMSHOSUCHFF-JQWIXIFHSA-N 2 1 244.404 0.784 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000576330500 365566709 /nfs/dbraw/zinc/56/67/09/365566709.db2.gz YDNFEDVEVKAGEA-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000381073521 398222963 /nfs/dbraw/zinc/22/29/63/398222963.db2.gz PAYAUSQXPDNPRO-VXGBXAGGSA-N 2 1 230.352 0.194 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCCC1=O ZINC000430576306 398229034 /nfs/dbraw/zinc/22/90/34/398229034.db2.gz BECCYOZGEFQVRC-GFCCVEGCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000418398920 192033228 /nfs/dbraw/zinc/03/32/28/192033228.db2.gz WQXMPVFMXLMBQW-LLVKDONJSA-N 2 1 242.367 0.189 20 0 BCADMP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334317553 136225318 /nfs/dbraw/zinc/22/53/18/136225318.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132969581 398231673 /nfs/dbraw/zinc/23/16/73/398231673.db2.gz CGQGCZVXCRJMTL-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C(C)(C)C ZINC000629962326 361808700 /nfs/dbraw/zinc/80/87/00/361808700.db2.gz CURDXQJOTRVHHJ-UHFFFAOYSA-N 2 1 238.335 0.696 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791512 136227057 /nfs/dbraw/zinc/22/70/57/136227057.db2.gz ZXHGVEZBALAGDF-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252791512 136227058 /nfs/dbraw/zinc/22/70/58/136227058.db2.gz ZXHGVEZBALAGDF-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629965304 361812098 /nfs/dbraw/zinc/81/20/98/361812098.db2.gz SFYMLOHLSGWSKF-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000379875685 398239396 /nfs/dbraw/zinc/23/93/96/398239396.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000379875685 398239401 /nfs/dbraw/zinc/23/94/01/398239401.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379875685 398239406 /nfs/dbraw/zinc/23/94/06/398239406.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379875685 398239412 /nfs/dbraw/zinc/23/94/12/398239412.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252781334 136226863 /nfs/dbraw/zinc/22/68/63/136226863.db2.gz RFZVRFIVKBBBQL-IVZWLZJFSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252781334 136226864 /nfs/dbraw/zinc/22/68/64/136226864.db2.gz RFZVRFIVKBBBQL-IVZWLZJFSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000381253838 398244404 /nfs/dbraw/zinc/24/44/04/398244404.db2.gz PJSYVQFAKDPKIB-PWSUYJOCSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647993001 398245053 /nfs/dbraw/zinc/24/50/53/398245053.db2.gz ZOKTXJWPNQILFP-YVECIDJPSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647993001 398245057 /nfs/dbraw/zinc/24/50/57/398245057.db2.gz ZOKTXJWPNQILFP-YVECIDJPSA-N 3 1 225.380 0.901 20 0 BCADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000168835595 538945443 /nfs/dbraw/zinc/94/54/43/538945443.db2.gz JDWOZFITACMYCV-NEPJUHHUSA-N 2 1 224.348 0.975 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC(F)(F)C[NH3+] ZINC000576714118 365656994 /nfs/dbraw/zinc/65/69/94/365656994.db2.gz NPTCUONYCMDLGC-SFYZADRCSA-N 2 1 235.278 0.309 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000381410651 398256432 /nfs/dbraw/zinc/25/64/32/398256432.db2.gz UIPJFKRIAUBZTC-NWDGAFQWSA-N 2 1 210.321 0.708 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666863 /nfs/dbraw/zinc/66/68/63/365666863.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 1 244.379 0.797 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000381540727 398262428 /nfs/dbraw/zinc/26/24/28/398262428.db2.gz IMBFUBXWYWVDLG-NEPJUHHUSA-N 3 1 213.369 0.901 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000381540727 398262431 /nfs/dbraw/zinc/26/24/31/398262431.db2.gz IMBFUBXWYWVDLG-NEPJUHHUSA-N 3 1 213.369 0.901 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990306 488177956 /nfs/dbraw/zinc/17/79/56/488177956.db2.gz HCOOTCNJKGDFRC-VOAKCMCISA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990306 488177958 /nfs/dbraw/zinc/17/79/58/488177958.db2.gz HCOOTCNJKGDFRC-VOAKCMCISA-N 2 1 224.348 0.831 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000381852378 398278705 /nfs/dbraw/zinc/27/87/05/398278705.db2.gz TWISESGBUKGGFS-NWDGAFQWSA-N 3 1 211.353 0.527 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000381852378 398278710 /nfs/dbraw/zinc/27/87/10/398278710.db2.gz TWISESGBUKGGFS-NWDGAFQWSA-N 3 1 211.353 0.527 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335131339 398280995 /nfs/dbraw/zinc/28/09/95/398280995.db2.gz UCZRAVLEEYQYDR-VXGBXAGGSA-N 2 1 237.347 0.150 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335131339 398280997 /nfs/dbraw/zinc/28/09/97/398280997.db2.gz UCZRAVLEEYQYDR-VXGBXAGGSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000335605724 136236502 /nfs/dbraw/zinc/23/65/02/136236502.db2.gz GBXZXONWRDBNPX-JQWIXIFHSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@H]1CN(C(=O)NCC[NH3+])CC[N@H+](C2CC2)C1 ZINC000335610448 136236562 /nfs/dbraw/zinc/23/65/62/136236562.db2.gz XMHKFIXKTRJXRL-SNVBAGLBSA-N 2 1 240.351 0.071 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000583935382 342728549 /nfs/dbraw/zinc/72/85/49/342728549.db2.gz JWTXXJWHJGQFRK-NSHDSACASA-N 2 1 237.303 0.112 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000605331990 342753081 /nfs/dbraw/zinc/75/30/81/342753081.db2.gz WPPWSHBSKIJTDQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000605331990 342753082 /nfs/dbraw/zinc/75/30/82/342753082.db2.gz WPPWSHBSKIJTDQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000605331990 342753083 /nfs/dbraw/zinc/75/30/83/342753083.db2.gz WPPWSHBSKIJTDQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC000630002721 361890478 /nfs/dbraw/zinc/89/04/78/361890478.db2.gz HAKPBYBXNBAFNG-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000381561274 539003564 /nfs/dbraw/zinc/00/35/64/539003564.db2.gz RHFNEITXVDFIIG-GFCCVEGCSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCCn2cncn2)CC[N@H+]1C ZINC000381756937 539007080 /nfs/dbraw/zinc/00/70/80/539007080.db2.gz GGWMMLGLFQDSCO-NWDGAFQWSA-N 2 1 237.351 0.741 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000381401065 538999633 /nfs/dbraw/zinc/99/96/33/538999633.db2.gz AGEXZLNUILGZFT-WDEREUQCSA-N 2 1 223.320 0.712 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000381401057 539000008 /nfs/dbraw/zinc/00/00/08/539000008.db2.gz AGEXZLNUILGZFT-GHMZBOCLSA-N 2 1 223.320 0.712 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417817809 398293768 /nfs/dbraw/zinc/29/37/68/398293768.db2.gz ROOQWEVSLULDRQ-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023807 342855220 /nfs/dbraw/zinc/85/52/20/342855220.db2.gz SZPAPAYGOCOIHD-KXUCPTDWSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+](C)C1CC1 ZINC000167342322 136245553 /nfs/dbraw/zinc/24/55/53/136245553.db2.gz QZCVIDKSLRKFKO-SCZZXKLOSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167342322 136245554 /nfs/dbraw/zinc/24/55/54/136245554.db2.gz QZCVIDKSLRKFKO-SCZZXKLOSA-N 2 1 243.376 0.248 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000167340185 136245598 /nfs/dbraw/zinc/24/55/98/136245598.db2.gz BHULJQABRSTKKV-SCZZXKLOSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000167334675 136245796 /nfs/dbraw/zinc/24/57/96/136245796.db2.gz DTEFNRJWMPPQMY-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418573051 192052119 /nfs/dbraw/zinc/05/21/19/192052119.db2.gz UALLTRSSVMGRQW-WDEREUQCSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCCO)[C@H](C)C1 ZINC000162314049 349638798 /nfs/dbraw/zinc/63/87/98/349638798.db2.gz OADRJXMSXKMKEU-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249446 /nfs/dbraw/zinc/24/94/46/136249446.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249447 /nfs/dbraw/zinc/24/94/47/136249447.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249448 /nfs/dbraw/zinc/24/94/48/136249448.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249449 /nfs/dbraw/zinc/24/94/49/136249449.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 2 1 242.363 0.002 20 0 BCADMP C[NH+](C)CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000392804358 398335399 /nfs/dbraw/zinc/33/53/99/398335399.db2.gz AXSJWSJOJXGIEP-NSHDSACASA-N 2 1 247.342 0.712 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228073247 398340786 /nfs/dbraw/zinc/34/07/86/398340786.db2.gz RQYDUFDXBXIRNG-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000145628163 398344315 /nfs/dbraw/zinc/34/43/15/398344315.db2.gz MDZUIXORUSGEKA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000145628163 398344316 /nfs/dbraw/zinc/34/43/16/398344316.db2.gz MDZUIXORUSGEKA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000019508334 342949925 /nfs/dbraw/zinc/94/99/25/342949925.db2.gz ZGLSFFXNSQUVCA-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP CSC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580314450 346896804 /nfs/dbraw/zinc/89/68/04/346896804.db2.gz SQMSBNYJMSNCSP-JQWIXIFHSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351811819 136254475 /nfs/dbraw/zinc/25/44/75/136254475.db2.gz COSHRIQPSMBJMP-RNJOBUHISA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351811819 136254476 /nfs/dbraw/zinc/25/44/76/136254476.db2.gz COSHRIQPSMBJMP-RNJOBUHISA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351811819 136254477 /nfs/dbraw/zinc/25/44/77/136254477.db2.gz COSHRIQPSMBJMP-RNJOBUHISA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351811820 136254607 /nfs/dbraw/zinc/25/46/07/136254607.db2.gz COSHRIQPSMBJMP-YVECIDJPSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351811820 136254608 /nfs/dbraw/zinc/25/46/08/136254608.db2.gz COSHRIQPSMBJMP-YVECIDJPSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351811820 136254609 /nfs/dbraw/zinc/25/46/09/136254609.db2.gz COSHRIQPSMBJMP-YVECIDJPSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000167487268 136258119 /nfs/dbraw/zinc/25/81/19/136258119.db2.gz BYAJVTYHQJETNV-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355881353 187212875 /nfs/dbraw/zinc/21/28/75/187212875.db2.gz OOAYWUNLOSAGMF-LLVKDONJSA-N 2 1 225.336 0.243 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355881353 187212877 /nfs/dbraw/zinc/21/28/77/187212877.db2.gz OOAYWUNLOSAGMF-LLVKDONJSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC[NH+](C)C1 ZINC000357090794 187213313 /nfs/dbraw/zinc/21/33/13/187213313.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP C[NH+](CCOCC[NH3+])C[C@@H]1CCC[N@H+](C)C1 ZINC000357090794 187213315 /nfs/dbraw/zinc/21/33/15/187213315.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP C[NH+](CCOCC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 ZINC000357090794 187213316 /nfs/dbraw/zinc/21/33/16/187213316.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP CN1CCC[C@@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000357090794 187213318 /nfs/dbraw/zinc/21/33/18/187213318.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 2 1 229.368 0.235 20 0 BCADMP CN1CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000357090794 187213320 /nfs/dbraw/zinc/21/33/20/187213320.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 2 1 229.368 0.235 20 0 BCADMP CN(CCOCC[NH3+])C[C@@H]1CCC[N@H+](C)C1 ZINC000357090794 187213321 /nfs/dbraw/zinc/21/33/21/187213321.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 2 1 229.368 0.235 20 0 BCADMP CN(CCOCC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 ZINC000357090794 187213323 /nfs/dbraw/zinc/21/33/23/187213323.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 2 1 229.368 0.235 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000357069904 187213936 /nfs/dbraw/zinc/21/39/36/187213936.db2.gz HXYSKWVNQITLBO-GFCCVEGCSA-N 2 1 238.335 0.495 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357319924 187214143 /nfs/dbraw/zinc/21/41/43/187214143.db2.gz YJUCRSIBSRLXBD-NQBHXWOUSA-N 2 1 241.379 0.829 20 0 BCADMP CC/C=C\C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384730101 344022473 /nfs/dbraw/zinc/02/24/73/344022473.db2.gz AZPCGOIUKXEILD-MVZIDQBPSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000335905500 136260861 /nfs/dbraw/zinc/26/08/61/136260861.db2.gz MAGUJEHOHJRTPC-SCZZXKLOSA-N 2 1 223.320 0.077 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)C1 ZINC000309243422 259342726 /nfs/dbraw/zinc/34/27/26/259342726.db2.gz LHDDLKFHYCTJKE-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000309243422 259342732 /nfs/dbraw/zinc/34/27/32/259342732.db2.gz LHDDLKFHYCTJKE-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000309243422 259342734 /nfs/dbraw/zinc/34/27/34/259342734.db2.gz LHDDLKFHYCTJKE-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371223738 187222691 /nfs/dbraw/zinc/22/26/91/187222691.db2.gz RTBQHFASJFTTJP-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H](C)O ZINC000400481635 529666593 /nfs/dbraw/zinc/66/65/93/529666593.db2.gz WGHWFQQJWDIIHY-VPOLOUISSA-N 2 1 200.326 0.876 20 0 BCADMP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000576837847 365701027 /nfs/dbraw/zinc/70/10/27/365701027.db2.gz FQJQLBIZORJPEC-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000038115585 343071486 /nfs/dbraw/zinc/07/14/86/343071486.db2.gz ZFEDRGGXYGQBDI-UHFFFAOYSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000092956346 343150190 /nfs/dbraw/zinc/15/01/90/343150190.db2.gz KGDFTQXJXFQISV-SDDRHHMPSA-N 2 1 239.363 0.442 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000123988966 343166489 /nfs/dbraw/zinc/16/64/89/343166489.db2.gz NABWXTCTAMUICO-NSHDSACASA-N 2 1 222.336 0.981 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N(C)C ZINC000126877458 343171154 /nfs/dbraw/zinc/17/11/54/343171154.db2.gz ZQGMBXAAJMBCCZ-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[N@H+]1C ZINC000157877107 343200061 /nfs/dbraw/zinc/20/00/61/343200061.db2.gz MVLGVVHFTDQNDO-PWSUYJOCSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000157891027 343200410 /nfs/dbraw/zinc/20/04/10/343200410.db2.gz ZZSZCJGJSKXNMZ-MDZLAQPJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167498137 343209186 /nfs/dbraw/zinc/20/91/86/343209186.db2.gz JWRVXONYFBGRIC-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N(C)C ZINC000169288877 343210829 /nfs/dbraw/zinc/21/08/29/343210829.db2.gz DNDLLUCYAZZHNY-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N(C)C ZINC000169288877 343210831 /nfs/dbraw/zinc/21/08/31/343210831.db2.gz DNDLLUCYAZZHNY-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CN1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1=O ZINC000082774885 136277043 /nfs/dbraw/zinc/27/70/43/136277043.db2.gz PNYHBHSCECYNDB-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1=O ZINC000082774885 136277044 /nfs/dbraw/zinc/27/70/44/136277044.db2.gz PNYHBHSCECYNDB-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cccn1 ZINC000133594381 343190924 /nfs/dbraw/zinc/19/09/24/343190924.db2.gz QHQYNCHCJOGMSG-QWRGUYRKSA-N 2 1 208.309 0.695 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688420 343246574 /nfs/dbraw/zinc/24/65/74/343246574.db2.gz RSGFUODKHTYDCE-TXEJJXNPSA-N 2 1 210.321 0.564 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688423 343246616 /nfs/dbraw/zinc/24/66/16/343246616.db2.gz RTDBMKXZFJLOEZ-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397482409 262926088 /nfs/dbraw/zinc/92/60/88/262926088.db2.gz PQQKYCZWJMYJPG-TUAOUCFPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397482409 262926089 /nfs/dbraw/zinc/92/60/89/262926089.db2.gz PQQKYCZWJMYJPG-TUAOUCFPSA-N 2 1 241.379 0.816 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@@H]1C ZINC000348755449 136297565 /nfs/dbraw/zinc/29/75/65/136297565.db2.gz HVCGEDARQHCPCN-NSHDSACASA-N 2 1 222.336 0.875 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@H](C)C1 ZINC000348757890 136297585 /nfs/dbraw/zinc/29/75/85/136297585.db2.gz YZEYPCZWEIAYPV-LLVKDONJSA-N 2 1 222.336 0.875 20 0 BCADMP [NH3+]C1(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000398115802 488211386 /nfs/dbraw/zinc/21/13/86/488211386.db2.gz ZBTKAPBUVKGNGM-SNVBAGLBSA-N 2 1 237.347 0.468 20 0 BCADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000584064137 343313143 /nfs/dbraw/zinc/31/31/43/343313143.db2.gz PUGQKCGSJGGZFK-CMPLNLGQSA-N 3 1 211.353 0.988 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)CC1C[NH+](C)C1 ZINC000628076718 343363034 /nfs/dbraw/zinc/36/30/34/343363034.db2.gz FWMRVIIOXAZNOZ-UHFFFAOYSA-N 2 1 236.319 0.212 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638493 136302862 /nfs/dbraw/zinc/30/28/62/136302862.db2.gz SIPVKEIWDLKHSY-YYJSSNLHSA-N 3 1 211.353 0.844 20 0 BCADMP COC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877323 349807138 /nfs/dbraw/zinc/80/71/38/349807138.db2.gz GJAAYGIIKBWUPN-UHFFFAOYSA-N 2 1 226.320 0.577 20 0 BCADMP COC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877323 349807141 /nfs/dbraw/zinc/80/71/41/349807141.db2.gz GJAAYGIIKBWUPN-UHFFFAOYSA-N 2 1 226.320 0.577 20 0 BCADMP Cc1[nH]c(Cn2cc(CC[NH+](C)C)nn2)[nH+]c1C ZINC000641156359 362242458 /nfs/dbraw/zinc/24/24/58/362242458.db2.gz HLKQNASPKBRZMU-UHFFFAOYSA-N 2 1 248.334 0.770 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594501 343450207 /nfs/dbraw/zinc/45/02/07/343450207.db2.gz PYTMTEIYZWTROQ-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594501 343450209 /nfs/dbraw/zinc/45/02/09/343450209.db2.gz PYTMTEIYZWTROQ-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000576992155 365745783 /nfs/dbraw/zinc/74/57/83/365745783.db2.gz GAJPIDKPLLMVPG-UHFFFAOYSA-N 3 1 229.368 0.554 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000247968162 136373376 /nfs/dbraw/zinc/37/33/76/136373376.db2.gz IOCYJJCHHDZSMR-DMDPSCGWSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000083961273 343511636 /nfs/dbraw/zinc/51/16/36/343511636.db2.gz IRKFENKZKHFNDK-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000379948359 365760278 /nfs/dbraw/zinc/76/02/78/365760278.db2.gz ZNASVEZLQJZGTG-RYUDHWBXSA-N 2 1 246.395 0.686 20 0 BCADMP CSCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379948394 365760360 /nfs/dbraw/zinc/76/03/60/365760360.db2.gz DLTXQJAJMKSBNR-NSHDSACASA-N 2 1 232.393 0.784 20 0 BCADMP CSCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379948394 365760362 /nfs/dbraw/zinc/76/03/62/365760362.db2.gz DLTXQJAJMKSBNR-NSHDSACASA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)C[N@@H+](C)CC ZINC000310564997 343537891 /nfs/dbraw/zinc/53/78/91/343537891.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 1 244.379 0.798 20 0 BCADMP Nc1[nH+]cccc1Cn1cc(CCCC[NH3+])nn1 ZINC000641165575 362249143 /nfs/dbraw/zinc/24/91/43/362249143.db2.gz GLDMJKTYWRYMLB-UHFFFAOYSA-N 2 1 246.318 0.585 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487557915 529800576 /nfs/dbraw/zinc/80/05/76/529800576.db2.gz KVKGBRNZXAMJMQ-PYLYLYNFSA-N 2 1 247.342 0.751 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487557915 529800578 /nfs/dbraw/zinc/80/05/78/529800578.db2.gz KVKGBRNZXAMJMQ-PYLYLYNFSA-N 2 1 247.342 0.751 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000126909861 343717434 /nfs/dbraw/zinc/71/74/34/343717434.db2.gz HDERSVDKSVEONN-JOYOIKCWSA-N 2 1 249.314 0.173 20 0 BCADMP Cc1cccc(NCCNC(=O)C[NH2+]C2CC2)[nH+]1 ZINC000154662961 343744317 /nfs/dbraw/zinc/74/43/17/343744317.db2.gz MEACAUPZQJFIKZ-UHFFFAOYSA-N 2 1 248.330 0.670 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418732558 192065034 /nfs/dbraw/zinc/06/50/34/192065034.db2.gz UUPDESOIXQKTHX-MNOVXSKESA-N 2 1 240.351 0.283 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454454 529840055 /nfs/dbraw/zinc/84/00/55/529840055.db2.gz POMDRQPINFWHER-ZJUUUORDSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC000291559544 187348332 /nfs/dbraw/zinc/34/83/32/187348332.db2.gz WQXBCWZVZNEUSS-LLVKDONJSA-N 2 1 238.335 0.728 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261972886 349856962 /nfs/dbraw/zinc/85/69/62/349856962.db2.gz UOVRGKJYXDANQZ-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784312 343909059 /nfs/dbraw/zinc/90/90/59/343909059.db2.gz MXHMIKYVOSEVRB-UPJWGTAASA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784312 343909061 /nfs/dbraw/zinc/90/90/61/343909061.db2.gz MXHMIKYVOSEVRB-UPJWGTAASA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784312 343909065 /nfs/dbraw/zinc/90/90/65/343909065.db2.gz MXHMIKYVOSEVRB-UPJWGTAASA-N 2 1 223.364 0.799 20 0 BCADMP C[C@@H](O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381053820 343913515 /nfs/dbraw/zinc/91/35/15/343913515.db2.gz IQYMQJCUQQFPKL-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H](O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381053820 343913516 /nfs/dbraw/zinc/91/35/16/343913516.db2.gz IQYMQJCUQQFPKL-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611996 488247724 /nfs/dbraw/zinc/24/77/24/488247724.db2.gz IWIZNMQYVKAHBV-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705115 537836791 /nfs/dbraw/zinc/83/67/91/537836791.db2.gz SVKKFSHAKHBAEA-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705115 537836796 /nfs/dbraw/zinc/83/67/96/537836796.db2.gz SVKKFSHAKHBAEA-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705115 537836802 /nfs/dbraw/zinc/83/68/02/537836802.db2.gz SVKKFSHAKHBAEA-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705115 537836809 /nfs/dbraw/zinc/83/68/09/537836809.db2.gz SVKKFSHAKHBAEA-FRRDWIJNSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000622044974 344229308 /nfs/dbraw/zinc/22/93/08/344229308.db2.gz YZDLLPWKMBKROS-GARJFASQSA-N 2 1 215.341 0.080 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N(C)C ZINC000126878092 344186295 /nfs/dbraw/zinc/18/62/95/344186295.db2.gz ZQGMBXAAJMBCCZ-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000132019213 344268022 /nfs/dbraw/zinc/26/80/22/344268022.db2.gz LSLLVMLZUORYML-DTWKUNHWSA-N 2 1 231.365 0.283 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000092135501 344289095 /nfs/dbraw/zinc/28/90/95/344289095.db2.gz GPOUDBXQDYUDGZ-RYUDHWBXSA-N 2 1 241.379 0.688 20 0 BCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131838615 344334876 /nfs/dbraw/zinc/33/48/76/344334876.db2.gz IGSCDDFUGBLUAC-UWVGGRQHSA-N 2 1 243.376 0.155 20 0 BCADMP COC(=O)CC1(C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000600740045 344366622 /nfs/dbraw/zinc/36/66/22/344366622.db2.gz GPMFMJHWNKAFDB-UHFFFAOYSA-N 2 1 244.335 0.237 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000600706304 344360329 /nfs/dbraw/zinc/36/03/29/344360329.db2.gz UEZKHXYKBLCNQS-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000582122921 344425376 /nfs/dbraw/zinc/42/53/76/344425376.db2.gz QRUSLXBAWZADBS-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000107368985 347050427 /nfs/dbraw/zinc/05/04/27/347050427.db2.gz CATKFOYMADXSHM-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP COC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042519554 344457145 /nfs/dbraw/zinc/45/71/45/344457145.db2.gz LGAHHTZNBZUHNR-JTQLQIEISA-N 2 1 200.326 0.953 20 0 BCADMP C[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000042538619 344458694 /nfs/dbraw/zinc/45/86/94/344458694.db2.gz OMTOFXRNFOVTSP-UHFFFAOYSA-N 2 1 208.309 0.567 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132446082 344459770 /nfs/dbraw/zinc/45/97/70/344459770.db2.gz GCYWPJUNKJSZJX-BXKDBHETSA-N 2 1 249.314 0.255 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000042681162 344462047 /nfs/dbraw/zinc/46/20/47/344462047.db2.gz RVJNDTKNPUMWQK-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000042681162 344462050 /nfs/dbraw/zinc/46/20/50/344462050.db2.gz RVJNDTKNPUMWQK-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336764697 537846916 /nfs/dbraw/zinc/84/69/16/537846916.db2.gz QBXJHZIWOLREMA-UTUOFQBUSA-N 2 1 212.337 0.687 20 0 BCADMP CC(C)OC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381209017 344485513 /nfs/dbraw/zinc/48/55/13/344485513.db2.gz GUXFKJSWXWHANX-GHMZBOCLSA-N 2 1 226.320 0.479 20 0 BCADMP CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000381540098 344517605 /nfs/dbraw/zinc/51/76/05/344517605.db2.gz IIBHURLRDQRBEM-NEPJUHHUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000381540098 344517606 /nfs/dbraw/zinc/51/76/06/344517606.db2.gz IIBHURLRDQRBEM-NEPJUHHUSA-N 2 1 230.352 0.456 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000336765159 537848238 /nfs/dbraw/zinc/84/82/38/537848238.db2.gz NYFASWGCKRRWCM-AGIUHOORSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000336765159 537848247 /nfs/dbraw/zinc/84/82/47/537848247.db2.gz NYFASWGCKRRWCM-AGIUHOORSA-N 2 1 224.348 0.831 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354461 187291515 /nfs/dbraw/zinc/29/15/15/187291515.db2.gz IDIXRXPZQOTWOK-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000044133119 344536034 /nfs/dbraw/zinc/53/60/34/344536034.db2.gz FMQMZVCZVYMUIE-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827037 344593411 /nfs/dbraw/zinc/59/34/11/344593411.db2.gz UPXPTVRAZZUICW-ZDUSSCGKSA-N 2 1 239.363 0.811 20 0 BCADMP COC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479944 344577413 /nfs/dbraw/zinc/57/74/13/344577413.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479944 344577417 /nfs/dbraw/zinc/57/74/17/344577417.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479944 344577420 /nfs/dbraw/zinc/57/74/20/344577420.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641425949 362412774 /nfs/dbraw/zinc/41/27/74/362412774.db2.gz QZZMPQHUESBCFV-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP [NH3+]CCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000052815639 344669049 /nfs/dbraw/zinc/66/90/49/344669049.db2.gz ADAWLJAQHSMEHO-UHFFFAOYSA-N 2 1 235.335 0.338 20 0 BCADMP CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000082304296 344730358 /nfs/dbraw/zinc/73/03/58/344730358.db2.gz WJRNMEMGFWZSGQ-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158734876 344734511 /nfs/dbraw/zinc/73/45/11/344734511.db2.gz ISHDFRFEYUIJPW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158734876 344734513 /nfs/dbraw/zinc/73/45/13/344734513.db2.gz ISHDFRFEYUIJPW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158734876 344734515 /nfs/dbraw/zinc/73/45/15/344734515.db2.gz ISHDFRFEYUIJPW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158734876 344734517 /nfs/dbraw/zinc/73/45/17/344734517.db2.gz ISHDFRFEYUIJPW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050249365 344745112 /nfs/dbraw/zinc/74/51/12/344745112.db2.gz OMPKXSUSWHFIKD-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050249365 344745115 /nfs/dbraw/zinc/74/51/15/344745115.db2.gz OMPKXSUSWHFIKD-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CSC[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000400002398 344747988 /nfs/dbraw/zinc/74/79/88/344747988.db2.gz OTELLIVHXZNOCG-JTQLQIEISA-N 2 1 218.366 0.789 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046698 344697529 /nfs/dbraw/zinc/69/75/29/344697529.db2.gz OEZKZQRPGBVOGH-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046698 344697531 /nfs/dbraw/zinc/69/75/31/344697531.db2.gz OEZKZQRPGBVOGH-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046698 344697533 /nfs/dbraw/zinc/69/75/33/344697533.db2.gz OEZKZQRPGBVOGH-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046698 344697535 /nfs/dbraw/zinc/69/75/35/344697535.db2.gz OEZKZQRPGBVOGH-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP COC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000050067803 344719074 /nfs/dbraw/zinc/71/90/74/344719074.db2.gz OHCFAUFIRIAJHX-UHFFFAOYSA-N 2 1 228.336 0.967 20 0 BCADMP COC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000050067803 344719078 /nfs/dbraw/zinc/71/90/78/344719078.db2.gz OHCFAUFIRIAJHX-UHFFFAOYSA-N 2 1 228.336 0.967 20 0 BCADMP C[C@H](CNC(=O)NCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000133622134 344770704 /nfs/dbraw/zinc/77/07/04/344770704.db2.gz VVAXUYHAKMTTDK-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248980768 537869550 /nfs/dbraw/zinc/86/95/50/537869550.db2.gz FPABELPOAZCBPY-OLZOCXBDSA-N 2 1 246.395 0.782 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH3+] ZINC000237079348 187294357 /nfs/dbraw/zinc/29/43/57/187294357.db2.gz VYTJXGFPPFXUSD-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000582127378 344898022 /nfs/dbraw/zinc/89/80/22/344898022.db2.gz SZSFOLLGMNJICO-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP Cc1cc(CNC[C@]2(O)CC[N@H+](C)C2)on1 ZINC000631113502 344923059 /nfs/dbraw/zinc/92/30/59/344923059.db2.gz YQSLXGHAZHHEDD-LLVKDONJSA-N 2 1 225.292 0.139 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000583435837 344953692 /nfs/dbraw/zinc/95/36/92/344953692.db2.gz GNQBEWTWUPYDBO-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000583435837 344953695 /nfs/dbraw/zinc/95/36/95/344953695.db2.gz GNQBEWTWUPYDBO-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]([NH2+]CC(C)(C)C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000386623769 344962378 /nfs/dbraw/zinc/96/23/78/344962378.db2.gz YPQLMEGKRWJLMD-VHSXEESVSA-N 2 1 227.352 0.618 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228328928 187298621 /nfs/dbraw/zinc/29/86/21/187298621.db2.gz WFLKKKJHFAYEMH-KOLCDFICSA-N 2 1 222.336 0.898 20 0 BCADMP CCc1[nH+]ccn1CC(=O)NCCC[NH+](C)C ZINC000155334713 345077718 /nfs/dbraw/zinc/07/77/18/345077718.db2.gz PUEKHJDEAANCRW-UHFFFAOYSA-N 2 1 238.335 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000155428577 345081205 /nfs/dbraw/zinc/08/12/05/345081205.db2.gz OFIMMJQPHCFYLI-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000310450672 259382624 /nfs/dbraw/zinc/38/26/24/259382624.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000310450672 259382626 /nfs/dbraw/zinc/38/26/26/259382626.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](COC)C1 ZINC000310450672 259382627 /nfs/dbraw/zinc/38/26/27/259382627.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@]12COC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996624 345191272 /nfs/dbraw/zinc/19/12/72/345191272.db2.gz PQOZZSQKTXNWPO-QBHFIFKDSA-N 2 1 222.332 0.707 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996624 345191273 /nfs/dbraw/zinc/19/12/73/345191273.db2.gz PQOZZSQKTXNWPO-QBHFIFKDSA-N 2 1 222.332 0.707 20 0 BCADMP C([N@@H+]1CC[C@H]2COC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996798 345181582 /nfs/dbraw/zinc/18/15/82/345181582.db2.gz VQONNBKAPIHGEZ-CMOBGSAGSA-N 2 1 222.332 0.707 20 0 BCADMP C([N@H+]1CC[C@H]2COC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996798 345181585 /nfs/dbraw/zinc/18/15/85/345181585.db2.gz VQONNBKAPIHGEZ-CMOBGSAGSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995230 345184191 /nfs/dbraw/zinc/18/41/91/345184191.db2.gz YNFUHJNBDDTBRT-QWHCGFSZSA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)[C@@H](C[NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995230 345184194 /nfs/dbraw/zinc/18/41/94/345184194.db2.gz YNFUHJNBDDTBRT-QWHCGFSZSA-N 2 1 225.380 0.903 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000634995482 345185153 /nfs/dbraw/zinc/18/51/53/345185153.db2.gz GKQYHFPLRCYZPI-RYUDHWBXSA-N 3 1 213.369 0.949 20 0 BCADMP OC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCOC1 ZINC000634996693 345191045 /nfs/dbraw/zinc/19/10/45/345191045.db2.gz QRUJWHPBFHXRLJ-ZFQMDJOTSA-N 2 1 240.347 0.116 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996623 345191057 /nfs/dbraw/zinc/19/10/57/345191057.db2.gz PQOZZSQKTXNWPO-CMOBGSAGSA-N 2 1 222.332 0.707 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996623 345191058 /nfs/dbraw/zinc/19/10/58/345191058.db2.gz PQOZZSQKTXNWPO-CMOBGSAGSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000634996921 345186771 /nfs/dbraw/zinc/18/67/71/345186771.db2.gz YYCINICNEMFQFU-DCAQKATOSA-N 3 1 201.358 0.933 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634952047 345128324 /nfs/dbraw/zinc/12/83/24/345128324.db2.gz NUYZUDNNGVTQBL-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959497 345132967 /nfs/dbraw/zinc/13/29/67/345132967.db2.gz SPPXPQFZIZMAPD-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000310483932 259383212 /nfs/dbraw/zinc/38/32/12/259383212.db2.gz DNZRNGMKVKKVCT-WOPDTQHZSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000634993622 345191192 /nfs/dbraw/zinc/19/11/92/345191192.db2.gz ACCDODDUUNSYHZ-RYUDHWBXSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000634993622 345191194 /nfs/dbraw/zinc/19/11/94/345191194.db2.gz ACCDODDUUNSYHZ-RYUDHWBXSA-N 3 1 213.369 0.888 20 0 BCADMP C[C@@]12COC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996625 345191472 /nfs/dbraw/zinc/19/14/72/345191472.db2.gz PQOZZSQKTXNWPO-QZQSVVMZSA-N 2 1 222.332 0.707 20 0 BCADMP C[C@@]12COC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996625 345191477 /nfs/dbraw/zinc/19/14/77/345191477.db2.gz PQOZZSQKTXNWPO-QZQSVVMZSA-N 2 1 222.332 0.707 20 0 BCADMP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)C[N@H+]1C ZINC000634994213 345192578 /nfs/dbraw/zinc/19/25/78/345192578.db2.gz VWOFQFXFBXWPOL-IALDZJHCSA-N 2 1 223.364 0.763 20 0 BCADMP [NH3+]CC1(CCNCC23CC(C2)C[NH2+]3)CC1 ZINC000634996734 345193503 /nfs/dbraw/zinc/19/35/03/345193503.db2.gz SSZAHEHZXNWSIC-UHFFFAOYSA-N 2 1 209.337 0.457 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000600964994 345196363 /nfs/dbraw/zinc/19/63/63/345196363.db2.gz BUXIDIJNOXTXKF-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000600964994 345196367 /nfs/dbraw/zinc/19/63/67/345196367.db2.gz BUXIDIJNOXTXKF-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000600964994 345196370 /nfs/dbraw/zinc/19/63/70/345196370.db2.gz BUXIDIJNOXTXKF-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000600964994 345196371 /nfs/dbraw/zinc/19/63/71/345196371.db2.gz BUXIDIJNOXTXKF-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998411 345198042 /nfs/dbraw/zinc/19/80/42/345198042.db2.gz FKUJQKFNCOZWIW-GMTAPVOTSA-N 2 1 200.326 0.796 20 0 BCADMP N[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003162 345205476 /nfs/dbraw/zinc/20/54/76/345205476.db2.gz AFHFFIILBQQHJO-BJDJZHNGSA-N 2 1 211.353 0.973 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635272092 345292322 /nfs/dbraw/zinc/29/23/22/345292322.db2.gz VOJZEURMVHHAKT-LLVKDONJSA-N 2 1 229.368 0.783 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529166 345345567 /nfs/dbraw/zinc/34/55/67/345345567.db2.gz KQCMRFTWAQBPCZ-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635506372 345405468 /nfs/dbraw/zinc/40/54/68/345405468.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 2 1 248.330 0.724 20 0 BCADMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635506372 345405470 /nfs/dbraw/zinc/40/54/70/345405470.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 2 1 248.330 0.724 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635506372 345405473 /nfs/dbraw/zinc/40/54/73/345405473.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 2 1 248.330 0.724 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635486564 345394658 /nfs/dbraw/zinc/39/46/58/345394658.db2.gz BZWCGJHCAHWQJR-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+](C)C ZINC000635538213 345506444 /nfs/dbraw/zinc/50/64/44/345506444.db2.gz IZSGPIXOEIMBKT-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](CO)C[C@H]1C ZINC000626121737 345518090 /nfs/dbraw/zinc/51/80/90/345518090.db2.gz SEJIBRGVXXPONE-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121737 345518098 /nfs/dbraw/zinc/51/80/98/345518098.db2.gz SEJIBRGVXXPONE-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121737 345518100 /nfs/dbraw/zinc/51/81/00/345518100.db2.gz SEJIBRGVXXPONE-UPJWGTAASA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+]1CCN(Cc2cnc[nH]2)CC1 ZINC000179961556 187308435 /nfs/dbraw/zinc/30/84/35/187308435.db2.gz FVNGDSVHHXGWNW-UHFFFAOYSA-N 2 1 208.309 0.936 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559517 345748595 /nfs/dbraw/zinc/74/85/95/345748595.db2.gz SSOAYFGCCSUVIR-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000635559517 345748598 /nfs/dbraw/zinc/74/85/98/345748598.db2.gz SSOAYFGCCSUVIR-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559515 345748628 /nfs/dbraw/zinc/74/86/28/345748628.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000635559515 345748630 /nfs/dbraw/zinc/74/86/30/345748630.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000635559515 345748632 /nfs/dbraw/zinc/74/86/32/345748632.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559551 345760564 /nfs/dbraw/zinc/76/05/64/345760564.db2.gz TWTIINYJDPEKGC-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C(=O)N1CC(n2ccnc2)C1)N(C)C ZINC000635566257 345799499 /nfs/dbraw/zinc/79/94/99/345799499.db2.gz WKQADCFNODBRFR-SECBINFHSA-N 2 1 222.292 0.217 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635605980 345889579 /nfs/dbraw/zinc/88/95/79/345889579.db2.gz GHEKWEWLIBUUKE-MXWKQRLJSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635605977 345889942 /nfs/dbraw/zinc/88/99/42/345889942.db2.gz GHEKWEWLIBUUKE-AXFHLTTASA-N 2 1 227.352 0.535 20 0 BCADMP COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400947769 345933192 /nfs/dbraw/zinc/93/31/92/345933192.db2.gz AXXQBEZJNWAZJU-VPOLOUISSA-N 2 1 226.320 0.526 20 0 BCADMP COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400947766 345933278 /nfs/dbraw/zinc/93/32/78/345933278.db2.gz AXXQBEZJNWAZJU-LMLFDSFASA-N 2 1 226.320 0.526 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062891175 187362183 /nfs/dbraw/zinc/36/21/83/187362183.db2.gz RNLNIEVVNKDEHJ-ZDUSSCGKSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635807565 346072879 /nfs/dbraw/zinc/07/28/79/346072879.db2.gz NVZNBNRCAFSEQJ-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+](C)C ZINC000635811712 346074729 /nfs/dbraw/zinc/07/47/29/346074729.db2.gz HOMBBCXTVJFFND-SNVBAGLBSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000635992381 346142992 /nfs/dbraw/zinc/14/29/92/346142992.db2.gz RXBIOPUIJKVPPN-OUAUKWLOSA-N 2 1 225.336 0.099 20 0 BCADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000635953862 346123282 /nfs/dbraw/zinc/12/32/82/346123282.db2.gz NTDHQWDUTMNAEL-NWDGAFQWSA-N 2 1 241.379 0.642 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628239541 346200453 /nfs/dbraw/zinc/20/04/53/346200453.db2.gz VHYNTQDTUPHJAH-VXGBXAGGSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628239541 346200455 /nfs/dbraw/zinc/20/04/55/346200455.db2.gz VHYNTQDTUPHJAH-VXGBXAGGSA-N 2 1 244.404 0.928 20 0 BCADMP Cn1nccc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000384734449 537960219 /nfs/dbraw/zinc/96/02/19/537960219.db2.gz KMAJALSXZFLSFS-UHFFFAOYSA-N 2 1 208.309 0.384 20 0 BCADMP COC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000684425517 488311390 /nfs/dbraw/zinc/31/13/90/488311390.db2.gz YJVFSAGWGVDKLX-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000636063799 346308092 /nfs/dbraw/zinc/30/80/92/346308092.db2.gz RPJRSNXCAMUFIS-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336374081 187367896 /nfs/dbraw/zinc/36/78/96/187367896.db2.gz ZEUUCFWOENTPEN-OLZOCXBDSA-N 2 1 223.364 0.527 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336374081 187367897 /nfs/dbraw/zinc/36/78/97/187367897.db2.gz ZEUUCFWOENTPEN-OLZOCXBDSA-N 2 1 223.364 0.527 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747622 535047396 /nfs/dbraw/zinc/04/73/96/535047396.db2.gz ZMFWBDKVVOZVFT-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000641797987 362738661 /nfs/dbraw/zinc/73/86/61/362738661.db2.gz BJDSWKWMVFFOND-YPMHNXCESA-N 2 1 234.347 0.646 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000641798570 362744451 /nfs/dbraw/zinc/74/44/51/362744451.db2.gz JQRWCJAHGIFRMG-WCQYABFASA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cncc1CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000641800113 362750696 /nfs/dbraw/zinc/75/06/96/362750696.db2.gz WMFGAHVWMAIBTF-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1cncc1CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000641800113 362750699 /nfs/dbraw/zinc/75/06/99/362750699.db2.gz WMFGAHVWMAIBTF-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1c[nH+]cc1CCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000641798501 362745229 /nfs/dbraw/zinc/74/52/29/362745229.db2.gz NFRUVPVVWCFUGC-ZDUSSCGKSA-N 2 1 234.347 0.789 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000641799212 362746673 /nfs/dbraw/zinc/74/66/73/362746673.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 2 1 222.336 0.633 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cn[nH]c1 ZINC000641798943 362747436 /nfs/dbraw/zinc/74/74/36/362747436.db2.gz RANKKYBFJNENGB-LLVKDONJSA-N 2 1 210.325 0.915 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1cn[nH]c1 ZINC000641799714 362748467 /nfs/dbraw/zinc/74/84/67/362748467.db2.gz PRDJFXIFXOSYBS-SNVBAGLBSA-N 2 1 210.325 0.915 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000641797985 362738806 /nfs/dbraw/zinc/73/88/06/362738806.db2.gz BJDSWKWMVFFOND-DGCLKSJQSA-N 2 1 234.347 0.646 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641796971 362741630 /nfs/dbraw/zinc/74/16/30/362741630.db2.gz OCLOSVIZJYOGKO-GFCCVEGCSA-N 2 1 236.363 0.894 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000641797034 362741657 /nfs/dbraw/zinc/74/16/57/362741657.db2.gz QDSLLIZIPCNPBM-PWSUYJOCSA-N 2 1 238.335 0.011 20 0 BCADMP C[C@@H]1[NH2+]CCN(CCc2c[nH+]cn2C)[C@H]1C ZINC000641800176 362750461 /nfs/dbraw/zinc/75/04/61/362750461.db2.gz XXDXOQNQALSUCT-QWRGUYRKSA-N 2 1 222.336 0.645 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805537 362762770 /nfs/dbraw/zinc/76/27/70/362762770.db2.gz NKWVHZUTGLTIAB-GUBZILKMSA-N 2 1 227.352 0.617 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800674 362751144 /nfs/dbraw/zinc/75/11/44/362751144.db2.gz CWMMAQYPZOWIHG-MNOVXSKESA-N 2 1 239.363 0.570 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641800676 362752131 /nfs/dbraw/zinc/75/21/31/362752131.db2.gz CWMMAQYPZOWIHG-WDEREUQCSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CCc1c[nH+]cn1C ZINC000641800659 362752353 /nfs/dbraw/zinc/75/23/53/362752353.db2.gz CKFUNDOMQQIQGK-VHSXEESVSA-N 2 1 208.309 0.384 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000641801563 362757008 /nfs/dbraw/zinc/75/70/08/362757008.db2.gz SOZUCFRYYYUBKP-NXEZZACHSA-N 2 1 248.330 0.736 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000380157927 346583037 /nfs/dbraw/zinc/58/30/37/346583037.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000380157927 346583040 /nfs/dbraw/zinc/58/30/40/346583040.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000380157927 346583043 /nfs/dbraw/zinc/58/30/43/346583043.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP Cc1cccc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000071349609 179122581 /nfs/dbraw/zinc/12/25/81/179122581.db2.gz HVQQACOHFZRUQS-UHFFFAOYSA-N 2 1 235.331 0.894 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000580196503 346652073 /nfs/dbraw/zinc/65/20/73/346652073.db2.gz OKPREGFBGYYGIG-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000580201562 346658390 /nfs/dbraw/zinc/65/83/90/346658390.db2.gz UGDJQKGDOZSKGH-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000580648163 365843175 /nfs/dbraw/zinc/84/31/75/365843175.db2.gz CPHBXLDIOOTDSM-NKWVEPMBSA-N 2 1 242.348 0.457 20 0 BCADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618503 187370267 /nfs/dbraw/zinc/37/02/67/187370267.db2.gz AUELBWBVOXBHMD-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000577177662 365860153 /nfs/dbraw/zinc/86/01/53/365860153.db2.gz CXGXITXDEGNIOO-IUCAKERBSA-N 2 1 249.305 0.440 20 0 BCADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1CO ZINC000622003593 370653984 /nfs/dbraw/zinc/65/39/84/370653984.db2.gz BZPDBNPLRXYQQT-UWVGGRQHSA-N 2 1 200.326 0.674 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000582063198 347157491 /nfs/dbraw/zinc/15/74/91/347157491.db2.gz UKUGXWZATKLUIH-YPMHNXCESA-N 2 1 242.363 0.050 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000582063198 347157493 /nfs/dbraw/zinc/15/74/93/347157493.db2.gz UKUGXWZATKLUIH-YPMHNXCESA-N 2 1 242.363 0.050 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000582063195 347157699 /nfs/dbraw/zinc/15/76/99/347157699.db2.gz UKUGXWZATKLUIH-AAEUAGOBSA-N 2 1 242.363 0.050 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000582063195 347157700 /nfs/dbraw/zinc/15/77/00/347157700.db2.gz UKUGXWZATKLUIH-AAEUAGOBSA-N 2 1 242.363 0.050 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCc1cn[nH]c1 ZINC000641819918 362771217 /nfs/dbraw/zinc/77/12/17/362771217.db2.gz IDWGIFTWYXABCX-UHFFFAOYSA-N 2 1 226.324 0.120 20 0 BCADMP CC(C)[C@@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641820012 362771441 /nfs/dbraw/zinc/77/14/41/362771441.db2.gz LDHCMBNNHPPXFU-ZDUSSCGKSA-N 2 1 236.363 0.892 20 0 BCADMP Cn1c[nH+]cc1CCN1CC2CC1(C[NH3+])C2 ZINC000641822971 362772386 /nfs/dbraw/zinc/77/23/86/362772386.db2.gz OJSJARRLQLEVGZ-UHFFFAOYSA-N 2 1 220.320 0.386 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280615 347328140 /nfs/dbraw/zinc/32/81/40/347328140.db2.gz PFALQVDNDCYUIE-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252750703 347371496 /nfs/dbraw/zinc/37/14/96/347371496.db2.gz BEEYTMJNBZCQHP-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCC[NH3+] ZINC000020420048 347446975 /nfs/dbraw/zinc/44/69/75/347446975.db2.gz ZCKALXGUDWOHTH-SECBINFHSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC[NH3+] ZINC000020420048 347446978 /nfs/dbraw/zinc/44/69/78/347446978.db2.gz ZCKALXGUDWOHTH-SECBINFHSA-N 2 1 215.341 0.570 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591453049 347664216 /nfs/dbraw/zinc/66/42/16/347664216.db2.gz SDSPXZPHVNYQBJ-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591453049 347664219 /nfs/dbraw/zinc/66/42/19/347664219.db2.gz SDSPXZPHVNYQBJ-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591453049 347664220 /nfs/dbraw/zinc/66/42/20/347664220.db2.gz SDSPXZPHVNYQBJ-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591442530 347662131 /nfs/dbraw/zinc/66/21/31/347662131.db2.gz QYKCTVBINHTXBO-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401741641 347711504 /nfs/dbraw/zinc/71/15/04/347711504.db2.gz RZWASKWMNGUPOL-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401741641 347711506 /nfs/dbraw/zinc/71/15/06/347711506.db2.gz RZWASKWMNGUPOL-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591457873 347665159 /nfs/dbraw/zinc/66/51/59/347665159.db2.gz KMNXOPRXBKJOLJ-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP COC(=O)C1(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000592439093 347779018 /nfs/dbraw/zinc/77/90/18/347779018.db2.gz ZYGVBOYKUZYUTC-NXEZZACHSA-N 2 1 226.320 0.527 20 0 BCADMP COC(=O)C1(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000592439096 347779177 /nfs/dbraw/zinc/77/91/77/347779177.db2.gz ZYGVBOYKUZYUTC-ZJUUUORDSA-N 2 1 226.320 0.527 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000592493352 347787559 /nfs/dbraw/zinc/78/75/59/347787559.db2.gz OZUBRMZEAPTCOX-VHSXEESVSA-N 2 1 214.309 0.337 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000594739274 348110373 /nfs/dbraw/zinc/11/03/73/348110373.db2.gz RTSVUFXSEBIEIC-VHSXEESVSA-N 2 1 223.320 0.030 20 0 BCADMP CN(C)C1(C(=O)NCCc2cn(C)cn2)CC1 ZINC000616208292 348143092 /nfs/dbraw/zinc/14/30/92/348143092.db2.gz XCHDABPXVCDFNA-UHFFFAOYSA-N 2 1 236.319 0.173 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000035139996 358454503 /nfs/dbraw/zinc/45/45/03/358454503.db2.gz PPMPPWNUDFINIG-NSHDSACASA-N 2 1 241.379 0.926 20 0 BCADMP CO[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308966716 323182747 /nfs/dbraw/zinc/18/27/47/323182747.db2.gz WHQDWUPACRYJAR-ZJUUUORDSA-N 2 1 211.309 0.976 20 0 BCADMP CC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308988262 323183568 /nfs/dbraw/zinc/18/35/68/323183568.db2.gz MUQCJQPLRZMTJW-LBPRGKRZSA-N 2 1 212.337 0.974 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000595904772 348396565 /nfs/dbraw/zinc/39/65/65/348396565.db2.gz KQVBBTGXJLOTMH-UTUOFQBUSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)[C@@](C)(CCF)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000595908406 348398153 /nfs/dbraw/zinc/39/81/53/348398153.db2.gz HYQYCERIHVMKCR-CMPLNLGQSA-N 2 1 246.326 0.867 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000596108019 348441615 /nfs/dbraw/zinc/44/16/15/348441615.db2.gz TUFGBBYUURFWHP-KPPDAEKUSA-N 2 1 228.336 0.916 20 0 BCADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812263 490191091 /nfs/dbraw/zinc/19/10/91/490191091.db2.gz CNLNLCKPYDOTJH-XKGSQUFQSA-N 2 1 212.337 0.959 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[NH2+]1 ZINC000420163394 192166117 /nfs/dbraw/zinc/16/61/17/192166117.db2.gz JZPPEXVKMFAIQX-SNVBAGLBSA-N 2 1 249.314 0.844 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000216464601 350001549 /nfs/dbraw/zinc/00/15/49/350001549.db2.gz AJOBILXFWLAPCA-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP C[NH2+]CCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000308879047 349016513 /nfs/dbraw/zinc/01/65/13/349016513.db2.gz PBWVAHJBHCHCQP-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000078750357 490226344 /nfs/dbraw/zinc/22/63/44/490226344.db2.gz BQRXSRYVKLZASY-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCCC1 ZINC000421829898 192387006 /nfs/dbraw/zinc/38/70/06/192387006.db2.gz JGMMVRZBPPGNND-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+]CCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250942901 349181067 /nfs/dbraw/zinc/18/10/67/349181067.db2.gz ZTVAPWMGPLXSBU-NWDGAFQWSA-N 2 1 239.363 0.858 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000252850249 349218613 /nfs/dbraw/zinc/21/86/13/349218613.db2.gz HMQSQMKLXQZWDF-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)[NH3+] ZINC000252851468 349218985 /nfs/dbraw/zinc/21/89/85/349218985.db2.gz IBQUEOKFVAYRRW-KXNHARMFSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H](N[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453150 538034830 /nfs/dbraw/zinc/03/48/30/538034830.db2.gz KSAPQFGJIOEMIJ-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070618880 350027265 /nfs/dbraw/zinc/02/72/65/350027265.db2.gz VZXHMSDIFUSFTC-JQWIXIFHSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCSC1 ZINC000131417934 191012321 /nfs/dbraw/zinc/01/23/21/191012321.db2.gz TYXRDQVEPUEHHY-UWVGGRQHSA-N 2 1 218.366 0.394 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCSC1)C1CC1 ZINC000309119803 350036827 /nfs/dbraw/zinc/03/68/27/350036827.db2.gz SQOIFUXULRPRKE-ONGXEEELSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCSC1)C1CC1 ZINC000309119803 350036829 /nfs/dbraw/zinc/03/68/29/350036829.db2.gz SQOIFUXULRPRKE-ONGXEEELSA-N 2 1 230.377 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563099923 350057481 /nfs/dbraw/zinc/05/74/81/350057481.db2.gz DLWOVEKUAPFCHD-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000604324411 350102318 /nfs/dbraw/zinc/10/23/18/350102318.db2.gz IYMVPLKCSFISBN-QWRGUYRKSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763008 350097483 /nfs/dbraw/zinc/09/74/83/350097483.db2.gz WAPKCSKDGHCTGB-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP CC[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723017 538051970 /nfs/dbraw/zinc/05/19/70/538051970.db2.gz KBVOTZRKVWBDBI-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219942032 350151454 /nfs/dbraw/zinc/15/14/54/350151454.db2.gz IZCNMSMMYWSSIX-UWVGGRQHSA-N 2 1 239.363 0.441 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000304430401 350156659 /nfs/dbraw/zinc/15/66/59/350156659.db2.gz SQHXTHHTMCZOFX-NWDGAFQWSA-N 2 1 222.336 0.861 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430398 350156853 /nfs/dbraw/zinc/15/68/53/350156853.db2.gz SQHXTHHTMCZOFX-NEPJUHHUSA-N 2 1 222.336 0.861 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000304429909 350156965 /nfs/dbraw/zinc/15/69/65/350156965.db2.gz SMIUBQXZNUOJMO-LBPRGKRZSA-N 2 1 222.336 0.862 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219942123 350151394 /nfs/dbraw/zinc/15/13/94/350151394.db2.gz IZCNMSMMYWSSIX-NXEZZACHSA-N 2 1 239.363 0.441 20 0 BCADMP CO[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1O ZINC000314576487 350173577 /nfs/dbraw/zinc/17/35/77/350173577.db2.gz NKGUTWLCKZUEKT-VXGBXAGGSA-N 2 1 239.319 0.044 20 0 BCADMP CO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000314576487 350173578 /nfs/dbraw/zinc/17/35/78/350173578.db2.gz NKGUTWLCKZUEKT-VXGBXAGGSA-N 2 1 239.319 0.044 20 0 BCADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427136094 191054530 /nfs/dbraw/zinc/05/45/30/191054530.db2.gz MAWKECCMJLGRIZ-WCBMZHEXSA-N 2 1 249.305 0.604 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000427163034 191054950 /nfs/dbraw/zinc/05/49/50/191054950.db2.gz FBCPXQUYKNNXHL-UHFFFAOYSA-N 2 1 225.336 0.364 20 0 BCADMP C[C@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000427158591 191055144 /nfs/dbraw/zinc/05/51/44/191055144.db2.gz WKPGVVSKIVVRNA-VIFPVBQESA-N 2 1 235.278 0.086 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040920919 191062774 /nfs/dbraw/zinc/06/27/74/191062774.db2.gz JPAKYEDIDHRTPJ-UHFFFAOYSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484939 323284484 /nfs/dbraw/zinc/28/44/84/323284484.db2.gz JHIHEQYCMQKJAK-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000309234070 350215030 /nfs/dbraw/zinc/21/50/30/350215030.db2.gz JEVGGADWMHXLRO-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000309234070 350215032 /nfs/dbraw/zinc/21/50/32/350215032.db2.gz JEVGGADWMHXLRO-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000309234070 350215034 /nfs/dbraw/zinc/21/50/34/350215034.db2.gz JEVGGADWMHXLRO-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000309234070 350215035 /nfs/dbraw/zinc/21/50/35/350215035.db2.gz JEVGGADWMHXLRO-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC(C)(C)[NH+](C)C ZINC000297475591 180232258 /nfs/dbraw/zinc/23/22/58/180232258.db2.gz ZAGPMNGTEHTPBK-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(C)n1 ZINC000293726408 180236189 /nfs/dbraw/zinc/23/61/89/180236189.db2.gz YVRUBQPQLCFOPU-UHFFFAOYSA-N 2 1 248.334 0.890 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000277098054 180246034 /nfs/dbraw/zinc/24/60/34/180246034.db2.gz SSKYANGVBNCJME-NXEZZACHSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)O ZINC000086274677 180246458 /nfs/dbraw/zinc/24/64/58/180246458.db2.gz SAKYIKRZKIIXIQ-UHFFFAOYSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)O ZINC000086274677 180246460 /nfs/dbraw/zinc/24/64/60/180246460.db2.gz SAKYIKRZKIIXIQ-UHFFFAOYSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CC(N)=O)C(C)(C)C ZINC000270852550 180249606 /nfs/dbraw/zinc/24/96/06/180249606.db2.gz IEGKVXHQXXYFHD-UHFFFAOYSA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CC(N)=O)C(C)(C)C ZINC000270852550 180249608 /nfs/dbraw/zinc/24/96/08/180249608.db2.gz IEGKVXHQXXYFHD-UHFFFAOYSA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000261544350 180258610 /nfs/dbraw/zinc/25/86/10/180258610.db2.gz DTRMKMPOJUJPAA-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[C@@H]([NH3+])C1 ZINC000309526100 180240971 /nfs/dbraw/zinc/24/09/71/180240971.db2.gz BXJNPJMBSNKNGI-LLVKDONJSA-N 2 1 208.309 0.615 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000261544966 180259856 /nfs/dbraw/zinc/25/98/56/180259856.db2.gz FKYTXDAZFDJBKS-GHMZBOCLSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)C1 ZINC000270572194 180242590 /nfs/dbraw/zinc/24/25/90/180242590.db2.gz BDCITJXGKQYWEX-LLVKDONJSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)C1 ZINC000270572194 180242591 /nfs/dbraw/zinc/24/25/91/180242591.db2.gz BDCITJXGKQYWEX-LLVKDONJSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336775870 180261525 /nfs/dbraw/zinc/26/15/25/180261525.db2.gz CXPAYNHIQSOUDJ-PWSUYJOCSA-N 2 1 222.336 0.731 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336775869 180261953 /nfs/dbraw/zinc/26/19/53/180261953.db2.gz CXPAYNHIQSOUDJ-JQWIXIFHSA-N 2 1 222.336 0.731 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](C)[NH3+] ZINC000237423554 180265311 /nfs/dbraw/zinc/26/53/11/180265311.db2.gz UCUYZQJYTFDGJW-RKDXNWHRSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[NH3+] ZINC000178718318 180266803 /nfs/dbraw/zinc/26/68/03/180266803.db2.gz IMMOGQHRHRPDRN-SECBINFHSA-N 2 1 224.308 0.293 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H](C)C[NH3+] ZINC000285789894 180267086 /nfs/dbraw/zinc/26/70/86/180267086.db2.gz ORXIHYKBSOIWJV-VHSXEESVSA-N 2 1 238.335 0.539 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000020315746 180374300 /nfs/dbraw/zinc/37/43/00/180374300.db2.gz BWKNWFMMRGNYOF-LLVKDONJSA-N 2 1 222.336 0.899 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000020315746 180374302 /nfs/dbraw/zinc/37/43/02/180374302.db2.gz BWKNWFMMRGNYOF-LLVKDONJSA-N 2 1 222.336 0.899 20 0 BCADMP CN1CC[C@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583868 350543869 /nfs/dbraw/zinc/54/38/69/350543869.db2.gz SBCSBPHSZMJWIF-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248597465 191108814 /nfs/dbraw/zinc/10/88/14/191108814.db2.gz IJORVWYXHBXQSA-SDDRHHMPSA-N 2 1 239.363 0.522 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000570964171 350668022 /nfs/dbraw/zinc/66/80/22/350668022.db2.gz FYZBIEDXDWVYOK-GFCCVEGCSA-N 2 1 227.352 0.572 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623556854 362977506 /nfs/dbraw/zinc/97/75/06/362977506.db2.gz BFVPSGQGKRMBJK-IJLUTSLNSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623556854 362977510 /nfs/dbraw/zinc/97/75/10/362977510.db2.gz BFVPSGQGKRMBJK-IJLUTSLNSA-N 2 1 242.363 0.863 20 0 BCADMP C[C@@H](O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166161722 133847441 /nfs/dbraw/zinc/84/74/41/133847441.db2.gz UEOLLFJSHKLSEK-PWSUYJOCSA-N 2 1 212.337 0.689 20 0 BCADMP CCOCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000087977983 351445913 /nfs/dbraw/zinc/44/59/13/351445913.db2.gz IEFHEORICMPKET-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000088050110 351532200 /nfs/dbraw/zinc/53/22/00/351532200.db2.gz OISSQCDFHOAVDQ-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CCN(CC[NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000626964466 363065829 /nfs/dbraw/zinc/06/58/29/363065829.db2.gz GODUIOQZANZDMO-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626976636 363074568 /nfs/dbraw/zinc/07/45/68/363074568.db2.gz JMSQNNXKVMGQNY-UHFFFAOYSA-N 2 1 244.383 0.709 20 0 BCADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCC[NH3+] ZINC000637801979 351633926 /nfs/dbraw/zinc/63/39/26/351633926.db2.gz KOWDURORJPLKFK-UHFFFAOYSA-N 2 1 249.358 0.626 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[NH2+]CC1 ZINC000637803112 351638721 /nfs/dbraw/zinc/63/87/21/351638721.db2.gz XXKFXCSOYSCTNX-UHFFFAOYSA-N 2 1 222.292 0.013 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH2+]CC2)CC[N@H+]1C ZINC000637803839 351640468 /nfs/dbraw/zinc/64/04/68/351640468.db2.gz OZOUTHRFRRRNNR-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000637815394 351654836 /nfs/dbraw/zinc/65/48/36/351654836.db2.gz AICOMEUZGWIWBK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817000 351657371 /nfs/dbraw/zinc/65/73/71/351657371.db2.gz QEXCRUPCHCNDLL-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817103 351658079 /nfs/dbraw/zinc/65/80/79/351658079.db2.gz QEXCRUPCHCNDLL-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000637799568 351628874 /nfs/dbraw/zinc/62/88/74/351628874.db2.gz VTFXZEDQKDVWST-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637836188 351687681 /nfs/dbraw/zinc/68/76/81/351687681.db2.gz NDFYPTXWYXGMOU-JTQLQIEISA-N 2 1 222.292 0.012 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH2+]C1 ZINC000637837369 351691517 /nfs/dbraw/zinc/69/15/17/351691517.db2.gz FJENVYPZESNHRZ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000637841112 351696281 /nfs/dbraw/zinc/69/62/81/351696281.db2.gz SMDYAYCUAFGBSO-UWVGGRQHSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844824 351700104 /nfs/dbraw/zinc/70/01/04/351700104.db2.gz ROKPHJMPQFEVAT-NSHDSACASA-N 2 1 238.335 0.681 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637843774 351703032 /nfs/dbraw/zinc/70/30/32/351703032.db2.gz HEJBIJPOWPLNCE-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637843771 351703199 /nfs/dbraw/zinc/70/31/99/351703199.db2.gz HEJBIJPOWPLNCE-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000637822233 351666820 /nfs/dbraw/zinc/66/68/20/351666820.db2.gz ILEMOAQEHKAITI-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637826533 351673280 /nfs/dbraw/zinc/67/32/80/351673280.db2.gz SUEGEEHMXQMQFQ-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000674245747 487535680 /nfs/dbraw/zinc/53/56/80/487535680.db2.gz WCVFAWGZOVLYJR-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749893 366053448 /nfs/dbraw/zinc/05/34/48/366053448.db2.gz CDGYEJHOGAGKMM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637851652 351710309 /nfs/dbraw/zinc/71/03/09/351710309.db2.gz JXCSNWHXMWBJJS-DGCLKSJQSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000637854326 351713052 /nfs/dbraw/zinc/71/30/52/351713052.db2.gz GUDIGMQNFYWEQV-QJPTWQEYSA-N 2 1 239.363 0.570 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637854249 351713057 /nfs/dbraw/zinc/71/30/57/351713057.db2.gz FYWSQDUMJPPYHK-JTQLQIEISA-N 2 1 222.292 0.045 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859213 351715879 /nfs/dbraw/zinc/71/58/79/351715879.db2.gz IKTCKZXJWRSEEC-NEPJUHHUSA-N 2 1 248.330 0.544 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076982 351948504 /nfs/dbraw/zinc/94/85/04/351948504.db2.gz NYPFEYKZAVZGCC-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072229 351944450 /nfs/dbraw/zinc/94/44/50/351944450.db2.gz KZRPSAOEYDVWBZ-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000638072296 351944459 /nfs/dbraw/zinc/94/44/59/351944459.db2.gz MGRJNUMINKYLPK-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072232 351944560 /nfs/dbraw/zinc/94/45/60/351944560.db2.gz KZRPSAOEYDVWBZ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638146368 352007625 /nfs/dbraw/zinc/00/76/25/352007625.db2.gz SVUDNKQNFBKBDP-JTQLQIEISA-N 2 1 238.335 0.718 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077840 351950638 /nfs/dbraw/zinc/95/06/38/351950638.db2.gz BHBRBMHFGPZHKT-WDEREUQCSA-N 2 1 223.320 0.244 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638077730 351951391 /nfs/dbraw/zinc/95/13/91/351951391.db2.gz VUOZPQFBZUJJDI-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000638079530 351952440 /nfs/dbraw/zinc/95/24/40/351952440.db2.gz UGWSOYZLCUWUPE-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098347 351977787 /nfs/dbraw/zinc/97/77/87/351977787.db2.gz BUIXWNYACCSGJX-ONGXEEELSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000638099157 351979149 /nfs/dbraw/zinc/97/91/49/351979149.db2.gz ACSAPZCAICMDAV-GXSJLCMTSA-N 2 1 237.347 0.633 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000638099656 351980145 /nfs/dbraw/zinc/98/01/45/351980145.db2.gz CWSQONBTUPTTSR-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000638125980 351997183 /nfs/dbraw/zinc/99/71/83/351997183.db2.gz HUNPEORFRSLLND-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638126998 351998063 /nfs/dbraw/zinc/99/80/63/351998063.db2.gz FBPYTNVDUFQREG-GFCCVEGCSA-N 2 1 239.363 0.882 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638176842 352043316 /nfs/dbraw/zinc/04/33/16/352043316.db2.gz GIHAZFCKDOPUFG-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000638213455 352075380 /nfs/dbraw/zinc/07/53/80/352075380.db2.gz KGKLZSQBJHVZKX-UTUOFQBUSA-N 2 1 241.379 0.831 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638197110 352059558 /nfs/dbraw/zinc/05/95/58/352059558.db2.gz FULNKBPIXNZIAA-QWRGUYRKSA-N 2 1 236.319 0.578 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638201032 352060989 /nfs/dbraw/zinc/06/09/89/352060989.db2.gz AASJVASLUQEWRC-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638201029 352061145 /nfs/dbraw/zinc/06/11/45/352061145.db2.gz AASJVASLUQEWRC-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638199902 352063093 /nfs/dbraw/zinc/06/30/93/352063093.db2.gz GHBQNZRSQPYNNS-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638199899 352063376 /nfs/dbraw/zinc/06/33/76/352063376.db2.gz GHBQNZRSQPYNNS-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC000638202889 352064351 /nfs/dbraw/zinc/06/43/51/352064351.db2.gz BRTNAXGUJXZYSD-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638204089 352065929 /nfs/dbraw/zinc/06/59/29/352065929.db2.gz IJIHXNGGDJRYNM-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638208891 352071613 /nfs/dbraw/zinc/07/16/13/352071613.db2.gz WHRNZIWVYBBRCH-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638210110 352072712 /nfs/dbraw/zinc/07/27/12/352072712.db2.gz MXPIZPMXEPHOFZ-GXSJLCMTSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638210114 352072991 /nfs/dbraw/zinc/07/29/91/352072991.db2.gz MXPIZPMXEPHOFZ-MWLCHTKSSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638156719 352020349 /nfs/dbraw/zinc/02/03/49/352020349.db2.gz QJYLXGOJQXREHE-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000638158808 352022938 /nfs/dbraw/zinc/02/29/38/352022938.db2.gz STRQBHCYPNCXAA-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH3+])CCC2)CC[N@H+]1C ZINC000638162237 352026344 /nfs/dbraw/zinc/02/63/44/352026344.db2.gz NIYBUGZJDGSYLW-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638211999 352074130 /nfs/dbraw/zinc/07/41/30/352074130.db2.gz XJRYRNOSBPSNMA-ONGXEEELSA-N 2 1 236.319 0.448 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000638168069 352036348 /nfs/dbraw/zinc/03/63/48/352036348.db2.gz BUSXKZFWXWBTTF-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638243658 352091524 /nfs/dbraw/zinc/09/15/24/352091524.db2.gz QPYYDSNWJMVBMZ-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])CC[N@H+]1C ZINC000638257786 352101392 /nfs/dbraw/zinc/10/13/92/352101392.db2.gz WOBLDEQXLVIULM-ZRUFSTJUSA-N 2 1 227.352 0.569 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638266631 352106051 /nfs/dbraw/zinc/10/60/51/352106051.db2.gz CORUJPBUUFUHSV-MNOVXSKESA-N 2 1 236.319 0.435 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638266633 352106378 /nfs/dbraw/zinc/10/63/78/352106378.db2.gz CORUJPBUUFUHSV-WDEREUQCSA-N 2 1 236.319 0.435 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270606 352108748 /nfs/dbraw/zinc/10/87/48/352108748.db2.gz JHPGDLWQXYQGLY-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)C1 ZINC000638335098 352151747 /nfs/dbraw/zinc/15/17/47/352151747.db2.gz GIDMVCYARDUJHS-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000638335096 352151843 /nfs/dbraw/zinc/15/18/43/352151843.db2.gz GIDMVCYARDUJHS-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638335769 352154207 /nfs/dbraw/zinc/15/42/07/352154207.db2.gz RLOFAFQFEASSQR-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638335768 352154434 /nfs/dbraw/zinc/15/44/34/352154434.db2.gz RLOFAFQFEASSQR-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638338195 352157832 /nfs/dbraw/zinc/15/78/32/352157832.db2.gz SYEUZCBIESLYSL-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638368719 352177970 /nfs/dbraw/zinc/17/79/70/352177970.db2.gz MJLMINFMSQZBGK-VWYCJHECSA-N 2 1 227.352 0.713 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638369167 352181755 /nfs/dbraw/zinc/18/17/55/352181755.db2.gz DYICWVBQACPEMJ-BDAKNGLRSA-N 2 1 224.308 0.434 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000638375892 352185737 /nfs/dbraw/zinc/18/57/37/352185737.db2.gz JHKKRVKTKDCQAA-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638388665 352195730 /nfs/dbraw/zinc/19/57/30/352195730.db2.gz ZMKGLUXXOSDIJM-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428563 352237287 /nfs/dbraw/zinc/23/72/87/352237287.db2.gz XKKLTJZFPGBQHI-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638430770 352238573 /nfs/dbraw/zinc/23/85/73/352238573.db2.gz BBOYARLIWMSDOP-JTQLQIEISA-N 2 1 229.368 0.688 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638399033 352206248 /nfs/dbraw/zinc/20/62/48/352206248.db2.gz XRCZZOJPDQRYEF-ONGXEEELSA-N 2 1 236.319 0.530 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404674 352211543 /nfs/dbraw/zinc/21/15/43/352211543.db2.gz JIEYFDSVCKGGBE-VHSXEESVSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000638438776 352245410 /nfs/dbraw/zinc/24/54/10/352245410.db2.gz CNLLQYNUBLSBCK-JQWIXIFHSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)C1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000308972108 187650007 /nfs/dbraw/zinc/65/00/07/187650007.db2.gz FOHMEADJXOVERQ-HTAVTVPLSA-N 2 1 214.353 0.933 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH3+])CC[N@H+]1C ZINC000638512232 352336499 /nfs/dbraw/zinc/33/64/99/352336499.db2.gz GNWZSQKKWKEOGG-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000638572675 352401133 /nfs/dbraw/zinc/40/11/33/352401133.db2.gz UAKJPPODAGJFGB-WDEREUQCSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638638250 352479655 /nfs/dbraw/zinc/47/96/55/352479655.db2.gz BSRFFITUOMFJRH-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C1[C@@H](N[C@H]2CCC[NH2+]C2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013996 352550425 /nfs/dbraw/zinc/55/04/25/352550425.db2.gz WDJXZBNBQDQVHP-RWMBFGLXSA-N 2 1 223.364 0.716 20 0 BCADMP C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013996 352550427 /nfs/dbraw/zinc/55/04/27/352550427.db2.gz WDJXZBNBQDQVHP-RWMBFGLXSA-N 3 1 223.364 0.716 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638730064 352592390 /nfs/dbraw/zinc/59/23/90/352592390.db2.gz RBJLPBKSBUXXMJ-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458548 352598194 /nfs/dbraw/zinc/59/81/94/352598194.db2.gz CSNZCUUSKOQSAD-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCC(CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000044526618 352654569 /nfs/dbraw/zinc/65/45/69/352654569.db2.gz KMYNXZHBUHPPEP-SNVBAGLBSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531395 352654995 /nfs/dbraw/zinc/65/49/95/352654995.db2.gz WFWTVYHPLGVXML-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531395 352654996 /nfs/dbraw/zinc/65/49/96/352654996.db2.gz WFWTVYHPLGVXML-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000334172703 352757191 /nfs/dbraw/zinc/75/71/91/352757191.db2.gz AVOFVNDBFXIONA-TXEJJXNPSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000334172703 352757193 /nfs/dbraw/zinc/75/71/93/352757193.db2.gz AVOFVNDBFXIONA-TXEJJXNPSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000334172703 352757195 /nfs/dbraw/zinc/75/71/95/352757195.db2.gz AVOFVNDBFXIONA-TXEJJXNPSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000334172703 352757197 /nfs/dbraw/zinc/75/71/97/352757197.db2.gz AVOFVNDBFXIONA-TXEJJXNPSA-N 2 1 241.379 0.878 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000334182215 352770738 /nfs/dbraw/zinc/77/07/38/352770738.db2.gz FFIXPPCOEZLUIA-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000334182215 352770740 /nfs/dbraw/zinc/77/07/40/352770740.db2.gz FFIXPPCOEZLUIA-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000334182215 352770743 /nfs/dbraw/zinc/77/07/43/352770743.db2.gz FFIXPPCOEZLUIA-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H](C)C[NH3+] ZINC000420212318 192176367 /nfs/dbraw/zinc/17/63/67/192176367.db2.gz GIELGBFFHDEXSF-SECBINFHSA-N 2 1 237.303 0.687 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000334217665 352818319 /nfs/dbraw/zinc/81/83/19/352818319.db2.gz HOYSAWIEFFBIKZ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000334217665 352818322 /nfs/dbraw/zinc/81/83/22/352818322.db2.gz HOYSAWIEFFBIKZ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373054364 187900364 /nfs/dbraw/zinc/90/03/64/187900364.db2.gz VSDPKSBJGHDNJE-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CO[C@]1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCOC1 ZINC000638838536 353022937 /nfs/dbraw/zinc/02/29/37/353022937.db2.gz LCXOIITYJMCSRK-ZDUSSCGKSA-N 2 1 240.347 0.643 20 0 BCADMP c1ccc(CC[N@H+]2CC[C@H](NC3C[NH2+]C3)C2)cc1 ZINC000583493839 353028899 /nfs/dbraw/zinc/02/88/99/353028899.db2.gz CAACKNRMLYSLLW-AWEZNQCLSA-N 2 1 245.370 0.865 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913654 353072098 /nfs/dbraw/zinc/07/20/98/353072098.db2.gz BADWNXUPZHMXMS-USZNOCQGSA-N 2 1 237.347 0.432 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000261573379 535196915 /nfs/dbraw/zinc/19/69/15/535196915.db2.gz ITEQIEQPVMHNSS-SECBINFHSA-N 2 1 213.325 0.311 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638931777 353092977 /nfs/dbraw/zinc/09/29/77/353092977.db2.gz RUGOSLAAYQXAMM-SCZZXKLOSA-N 2 1 222.292 0.140 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638933262 353095607 /nfs/dbraw/zinc/09/56/07/353095607.db2.gz YAJZRHXOQNYTAL-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000336723560 188013069 /nfs/dbraw/zinc/01/30/69/188013069.db2.gz UDCVHLHFNPAMDB-VIFPVBQESA-N 2 1 249.305 0.522 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000040923779 188042742 /nfs/dbraw/zinc/04/27/42/188042742.db2.gz QNSAZCFAUVTVBN-UHFFFAOYSA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250208401 353269504 /nfs/dbraw/zinc/26/95/04/353269504.db2.gz CGJLNBXIIXGZMU-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251706414 353286881 /nfs/dbraw/zinc/28/68/81/353286881.db2.gz JDXQWJWAQPYQLU-KKZNHRDASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251706414 353286884 /nfs/dbraw/zinc/28/68/84/353286884.db2.gz JDXQWJWAQPYQLU-KKZNHRDASA-N 2 1 225.336 0.323 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356285902 188238673 /nfs/dbraw/zinc/23/86/73/188238673.db2.gz XBRNVFHXSPNNLG-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357412283 188239933 /nfs/dbraw/zinc/23/99/33/188239933.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357412283 188239935 /nfs/dbraw/zinc/23/99/35/188239935.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357412283 188239937 /nfs/dbraw/zinc/23/99/37/188239937.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP C(C[N@H+]1[C@H]2CC[C@@H]1CCC2)N1CC[NH2+]CC1 ZINC000335653184 188256553 /nfs/dbraw/zinc/25/65/53/188256553.db2.gz WMNYAFILCZSFMZ-BETUJISGSA-N 2 1 223.364 0.909 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341889402 188257244 /nfs/dbraw/zinc/25/72/44/188257244.db2.gz RPKSFMHKWCQLCW-AAEUAGOBSA-N 2 1 234.347 0.949 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000126489624 188258241 /nfs/dbraw/zinc/25/82/41/188258241.db2.gz GAHCYEJXHNQUQS-UWVGGRQHSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000251955904 353293663 /nfs/dbraw/zinc/29/36/63/353293663.db2.gz VCLGQFZCLYCOTD-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000165300810 353294303 /nfs/dbraw/zinc/29/43/03/353294303.db2.gz VRRSODKSVUBIRP-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000252373582 353299770 /nfs/dbraw/zinc/29/97/70/353299770.db2.gz SZHOSNJOPBWCLC-GRYCIOLGSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000252392135 353299956 /nfs/dbraw/zinc/29/99/56/353299956.db2.gz SZHOSNJOPBWCLC-IJLUTSLNSA-N 2 1 237.347 0.481 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000042463034 188293907 /nfs/dbraw/zinc/29/39/07/188293907.db2.gz NIOIFYWXTGSRCQ-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770893 353304114 /nfs/dbraw/zinc/30/41/14/353304114.db2.gz IDQGFMOBRNHKDI-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770893 353304117 /nfs/dbraw/zinc/30/41/17/353304117.db2.gz IDQGFMOBRNHKDI-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639033017 353304255 /nfs/dbraw/zinc/30/42/55/353304255.db2.gz CCCRWSHGWAYOHK-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000108329442 188325051 /nfs/dbraw/zinc/32/50/51/188325051.db2.gz FQHFLJKTYUBQBC-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049024 353339921 /nfs/dbraw/zinc/33/99/21/353339921.db2.gz GSMLYRXEBYMQCW-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049024 353339923 /nfs/dbraw/zinc/33/99/23/353339923.db2.gz GSMLYRXEBYMQCW-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639048825 353343514 /nfs/dbraw/zinc/34/35/14/353343514.db2.gz AFNPCWJVCDVLEZ-VXGBXAGGSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639048825 353343517 /nfs/dbraw/zinc/34/35/17/353343517.db2.gz AFNPCWJVCDVLEZ-VXGBXAGGSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CS1 ZINC000639049492 353344166 /nfs/dbraw/zinc/34/41/66/353344166.db2.gz SSUORSZBHNVHOC-MXWKQRLJSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CS1 ZINC000639049492 353344168 /nfs/dbraw/zinc/34/41/68/353344168.db2.gz SSUORSZBHNVHOC-MXWKQRLJSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CS1 ZINC000639049491 353344448 /nfs/dbraw/zinc/34/44/48/353344448.db2.gz SSUORSZBHNVHOC-GMTAPVOTSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CS1 ZINC000639049491 353344449 /nfs/dbraw/zinc/34/44/49/353344449.db2.gz SSUORSZBHNVHOC-GMTAPVOTSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639049570 353344453 /nfs/dbraw/zinc/34/44/53/353344453.db2.gz VFVMYWIWHRDQOW-RNJOBUHISA-N 2 1 224.348 0.689 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639049570 353344455 /nfs/dbraw/zinc/34/44/55/353344455.db2.gz VFVMYWIWHRDQOW-RNJOBUHISA-N 2 1 224.348 0.689 20 0 BCADMP CCOC1CC(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000639049435 353344507 /nfs/dbraw/zinc/34/45/07/353344507.db2.gz RCFIMIKCQLUMOU-BPCQOVAHSA-N 2 1 242.363 0.458 20 0 BCADMP CCOC1CC(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000639049435 353344509 /nfs/dbraw/zinc/34/45/09/353344509.db2.gz RCFIMIKCQLUMOU-BPCQOVAHSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H](CN1CCCC1=O)[NH2+]C1CC[NH+](C)CC1 ZINC000037782258 358478134 /nfs/dbraw/zinc/47/81/34/358478134.db2.gz AMXCYAAXWAIFBD-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049154 353347958 /nfs/dbraw/zinc/34/79/58/353347958.db2.gz JDZIXBQIWPAULH-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049154 353347960 /nfs/dbraw/zinc/34/79/60/353347960.db2.gz JDZIXBQIWPAULH-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120317 188347459 /nfs/dbraw/zinc/34/74/59/188347459.db2.gz DLSKYBWBKXYZQF-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120317 188347460 /nfs/dbraw/zinc/34/74/60/188347460.db2.gz DLSKYBWBKXYZQF-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000236783714 188367478 /nfs/dbraw/zinc/36/74/78/188367478.db2.gz WGDRWWUYLKZHQC-FOGDFJRCSA-N 2 1 239.363 0.711 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000343301766 353467272 /nfs/dbraw/zinc/46/72/72/353467272.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000343301766 353467274 /nfs/dbraw/zinc/46/72/74/353467274.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000343301766 353467278 /nfs/dbraw/zinc/46/72/78/353467278.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174334 353472176 /nfs/dbraw/zinc/47/21/76/353472176.db2.gz DCOLRPRIGZQOBA-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000574986412 353513927 /nfs/dbraw/zinc/51/39/27/353513927.db2.gz ILVKXRTZEVNHHF-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192120244 353543895 /nfs/dbraw/zinc/54/38/95/353543895.db2.gz KSANWLZMZJMFJR-QWRGUYRKSA-N 2 1 245.367 0.054 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193318946 353583769 /nfs/dbraw/zinc/58/37/69/353583769.db2.gz KKDMKZHVNADOTN-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000193300704 353589981 /nfs/dbraw/zinc/58/99/81/353589981.db2.gz JZAVKZAMWUQQRZ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[C@H](C)[NH3+])C1CC1 ZINC000193309283 353590046 /nfs/dbraw/zinc/59/00/46/353590046.db2.gz NEFAUEYDEDOURP-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@]1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000231786615 353655161 /nfs/dbraw/zinc/65/51/61/353655161.db2.gz GFLNBDKCBKUYJD-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@]1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000231786615 353655163 /nfs/dbraw/zinc/65/51/63/353655163.db2.gz GFLNBDKCBKUYJD-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835294 353702975 /nfs/dbraw/zinc/70/29/75/353702975.db2.gz WGISDMCTKVQNQF-SNVBAGLBSA-N 2 1 225.336 0.324 20 0 BCADMP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000232289227 353706162 /nfs/dbraw/zinc/70/61/62/353706162.db2.gz MLUKXMKNIPRWPU-VXGBXAGGSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627096887 363257681 /nfs/dbraw/zinc/25/76/81/363257681.db2.gz FOCFDDOHPOSSAH-BBBLOLIVSA-N 2 1 228.340 0.116 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233512807 353825294 /nfs/dbraw/zinc/82/52/94/353825294.db2.gz IZBBSDUJDNKHGQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627106040 363265005 /nfs/dbraw/zinc/26/50/05/363265005.db2.gz FWCFRZOSSFQZJS-MXWKQRLJSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627106037 363264465 /nfs/dbraw/zinc/26/44/65/363264465.db2.gz FWCFRZOSSFQZJS-GMTAPVOTSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343606400 353931762 /nfs/dbraw/zinc/93/17/62/353931762.db2.gz UIECGERQSNRXLS-IWSPIJDZSA-N 2 1 247.289 0.179 20 0 BCADMP CN(CC[NH+](C)C)CC(C)(C)[NH+]1CCOCC1 ZINC000639167921 354042128 /nfs/dbraw/zinc/04/21/28/354042128.db2.gz NBDGPRQCUNSKAZ-UHFFFAOYSA-N 2 1 243.395 0.591 20 0 BCADMP CC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000334572662 354101428 /nfs/dbraw/zinc/10/14/28/354101428.db2.gz IPBJLFVJPTVNPZ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045574 354119510 /nfs/dbraw/zinc/11/95/10/354119510.db2.gz JVIAOHIWAWDHFP-UHFFFAOYSA-N 2 1 231.384 0.448 20 0 BCADMP C[C@H]1C[C@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000344182382 354176128 /nfs/dbraw/zinc/17/61/28/354176128.db2.gz HKZXGRTXHIPVSQ-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C1CCOCC1 ZINC000334616592 354303674 /nfs/dbraw/zinc/30/36/74/354303674.db2.gz SPJQFQYBVOSVFH-SECBINFHSA-N 2 1 234.290 1.000 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974361 354386093 /nfs/dbraw/zinc/38/60/93/354386093.db2.gz PBJKLILWLSZTOP-SKDRFNHKSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974361 354386098 /nfs/dbraw/zinc/38/60/98/354386098.db2.gz PBJKLILWLSZTOP-SKDRFNHKSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000578013524 366180233 /nfs/dbraw/zinc/18/02/33/366180233.db2.gz RJWSQKWNLQNJHU-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP CN(C(=O)C1([NH3+])CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000334660377 354459242 /nfs/dbraw/zinc/45/92/42/354459242.db2.gz FLALZGRVSSMTLN-JTQLQIEISA-N 2 1 223.320 0.173 20 0 BCADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000334802079 354557828 /nfs/dbraw/zinc/55/78/28/354557828.db2.gz XADLOOZFSZESLK-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335089899 354625318 /nfs/dbraw/zinc/62/53/18/354625318.db2.gz HCINAUGLMMGTTC-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335089899 354625320 /nfs/dbraw/zinc/62/53/20/354625320.db2.gz HCINAUGLMMGTTC-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCOCC2)[C@H](C)CN1C ZINC000351933157 134013958 /nfs/dbraw/zinc/01/39/58/134013958.db2.gz AJRCKWRQUXNACV-CHWSQXEVSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)[C@H](C)CN1C ZINC000351933157 134013959 /nfs/dbraw/zinc/01/39/59/134013959.db2.gz AJRCKWRQUXNACV-CHWSQXEVSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCOCC2)[C@@H](C)CN1C ZINC000351933163 134014200 /nfs/dbraw/zinc/01/42/00/134014200.db2.gz AJRCKWRQUXNACV-OLZOCXBDSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)[C@@H](C)CN1C ZINC000351933163 134014201 /nfs/dbraw/zinc/01/42/01/134014201.db2.gz AJRCKWRQUXNACV-OLZOCXBDSA-N 2 1 241.379 0.343 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335108009 354694171 /nfs/dbraw/zinc/69/41/71/354694171.db2.gz QQLKWHUYGWNKAS-DTWKUNHWSA-N 2 1 247.289 0.052 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+](C)C)CCC[N@H+]1C ZINC000345732455 354746581 /nfs/dbraw/zinc/74/65/81/354746581.db2.gz AYUVPQWPJZYDKX-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)CC[NH3+] ZINC000420227902 192180062 /nfs/dbraw/zinc/18/00/62/192180062.db2.gz PQJMURWLPBZFPN-VIFPVBQESA-N 2 1 237.303 0.829 20 0 BCADMP C[N@@H+](CCCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234276128 363418100 /nfs/dbraw/zinc/41/81/00/363418100.db2.gz OGUWLQCNGPCDIQ-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C)CCC[N@@H+]1C ZINC000346072523 354857422 /nfs/dbraw/zinc/85/74/22/354857422.db2.gz UYIOOWLPXGTDKN-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C)CCC[N@H+]1C ZINC000346072523 354857426 /nfs/dbraw/zinc/85/74/26/354857426.db2.gz UYIOOWLPXGTDKN-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000235469378 363445497 /nfs/dbraw/zinc/44/54/97/363445497.db2.gz CYKDOZDUCXFPPU-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000234844362 363433135 /nfs/dbraw/zinc/43/31/35/363433135.db2.gz TUHPYHRGOOUECY-DCAQKATOSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000234844362 363433141 /nfs/dbraw/zinc/43/31/41/363433141.db2.gz TUHPYHRGOOUECY-DCAQKATOSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@@]1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC[NH2+]C1 ZINC000335164241 354950882 /nfs/dbraw/zinc/95/08/82/354950882.db2.gz URXYKDAUUGOYPN-GXSJLCMTSA-N 2 1 243.376 0.155 20 0 BCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH3+] ZINC000166058619 354951585 /nfs/dbraw/zinc/95/15/85/354951585.db2.gz KBOGKBOGARESPI-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC000346550848 354984998 /nfs/dbraw/zinc/98/49/98/354984998.db2.gz RTFBIKUQDWPLLJ-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000346550848 354985000 /nfs/dbraw/zinc/98/50/00/354985000.db2.gz RTFBIKUQDWPLLJ-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000346550848 354985005 /nfs/dbraw/zinc/98/50/05/354985005.db2.gz RTFBIKUQDWPLLJ-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000335202477 355036939 /nfs/dbraw/zinc/03/69/39/355036939.db2.gz CDUYJOLSLDYGJI-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000335202477 355036941 /nfs/dbraw/zinc/03/69/41/355036941.db2.gz CDUYJOLSLDYGJI-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000335202477 355036945 /nfs/dbraw/zinc/03/69/45/355036945.db2.gz CDUYJOLSLDYGJI-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000335202477 355036946 /nfs/dbraw/zinc/03/69/46/355036946.db2.gz CDUYJOLSLDYGJI-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000166066202 355005830 /nfs/dbraw/zinc/00/58/30/355005830.db2.gz BQHCATAPDPDXBB-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000166067503 355012051 /nfs/dbraw/zinc/01/20/51/355012051.db2.gz BQHCATAPDPDXBB-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639315 355015447 /nfs/dbraw/zinc/01/54/47/355015447.db2.gz JWZMVFGSYZHFGH-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639315 355015450 /nfs/dbraw/zinc/01/54/50/355015450.db2.gz JWZMVFGSYZHFGH-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP [NH3+]CCCOC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000346692482 355076411 /nfs/dbraw/zinc/07/64/11/355076411.db2.gz ZGZHUIKMTQICSG-UHFFFAOYSA-N 2 1 238.335 0.740 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000335220975 355061220 /nfs/dbraw/zinc/06/12/20/355061220.db2.gz YGOSXLROQKTOOX-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000335220975 355061222 /nfs/dbraw/zinc/06/12/22/355061222.db2.gz YGOSXLROQKTOOX-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000335220975 355061223 /nfs/dbraw/zinc/06/12/23/355061223.db2.gz YGOSXLROQKTOOX-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC(=O)NCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346862039 355119372 /nfs/dbraw/zinc/11/93/72/355119372.db2.gz WKXIMHAWAMZNLN-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503603 358493958 /nfs/dbraw/zinc/49/39/58/358493958.db2.gz GHTHKXZUQYQZOI-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830206 355128935 /nfs/dbraw/zinc/12/89/35/355128935.db2.gz KEFQTFQGADACJW-MNOVXSKESA-N 2 1 226.320 0.481 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346835825 355131464 /nfs/dbraw/zinc/13/14/64/355131464.db2.gz OENFHLQAOLKLIA-RYUDHWBXSA-N 2 1 240.347 0.871 20 0 BCADMP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000346844846 355135936 /nfs/dbraw/zinc/13/59/36/355135936.db2.gz LWQDZXSZQVDQOW-NWDGAFQWSA-N 2 1 243.395 0.501 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000346972306 355208338 /nfs/dbraw/zinc/20/83/38/355208338.db2.gz GYVAEUIKEIIIIL-UHFFFAOYSA-N 2 1 237.351 0.727 20 0 BCADMP CCCCC[N@@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000347000045 355196864 /nfs/dbraw/zinc/19/68/64/355196864.db2.gz YGYFPJPAHCXKHX-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CCCCC[N@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000347000045 355196865 /nfs/dbraw/zinc/19/68/65/355196865.db2.gz YGYFPJPAHCXKHX-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503658 358494422 /nfs/dbraw/zinc/49/44/22/358494422.db2.gz VGGXEQNTEUBUKX-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c[nH]1 ZINC000347014253 355204455 /nfs/dbraw/zinc/20/44/55/355204455.db2.gz IJUVMRGVHAUYTE-VIFPVBQESA-N 2 1 237.303 0.582 20 0 BCADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c[nH]1 ZINC000347014253 355204457 /nfs/dbraw/zinc/20/44/57/355204457.db2.gz IJUVMRGVHAUYTE-VIFPVBQESA-N 2 1 237.303 0.582 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000347012150 355204893 /nfs/dbraw/zinc/20/48/93/355204893.db2.gz UUOXRSNPRGCFRX-TUAOUCFPSA-N 2 1 237.347 0.339 20 0 BCADMP CCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515884 355253070 /nfs/dbraw/zinc/25/30/70/355253070.db2.gz NDISXYAXDOMUDH-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC[N@H+]1C ZINC000639245675 355255729 /nfs/dbraw/zinc/25/57/29/355255729.db2.gz ZTHQQCKPLMKAFU-NTZNESFSSA-N 2 1 239.363 0.727 20 0 BCADMP Cn1ncnc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000639245299 355257539 /nfs/dbraw/zinc/25/75/39/355257539.db2.gz VRRVPUICKURFNZ-UHFFFAOYSA-N 2 1 237.351 0.779 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000623226458 355291140 /nfs/dbraw/zinc/29/11/40/355291140.db2.gz BCDHLSGRHTZHJI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623226458 355291145 /nfs/dbraw/zinc/29/11/45/355291145.db2.gz BCDHLSGRHTZHJI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623226458 355291148 /nfs/dbraw/zinc/29/11/48/355291148.db2.gz BCDHLSGRHTZHJI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414669474 191543692 /nfs/dbraw/zinc/54/36/92/191543692.db2.gz BKRFUSNCIMTXQO-SDDRHHMPSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335820993 355539423 /nfs/dbraw/zinc/53/94/23/355539423.db2.gz HNRNNKKJZFBCPB-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000349961597 355540805 /nfs/dbraw/zinc/54/08/05/355540805.db2.gz MSQAIHWARFVKMD-MXWKQRLJSA-N 2 1 227.352 0.713 20 0 BCADMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CC1 ZINC000051691817 181199438 /nfs/dbraw/zinc/19/94/38/181199438.db2.gz ISSQLCRQXWRQSA-SECBINFHSA-N 2 1 222.336 0.747 20 0 BCADMP COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415121044 191682655 /nfs/dbraw/zinc/68/26/55/191682655.db2.gz YVIDKWIAMGHILE-VHSXEESVSA-N 2 1 228.336 0.916 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000166596189 355709762 /nfs/dbraw/zinc/70/97/62/355709762.db2.gz RTXGJCXKPJZTNO-VXGBXAGGSA-N 2 1 232.368 0.968 20 0 BCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000205603950 355685532 /nfs/dbraw/zinc/68/55/32/355685532.db2.gz LYBACXCFCIBHNA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000205603950 355685535 /nfs/dbraw/zinc/68/55/35/355685535.db2.gz LYBACXCFCIBHNA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000381044633 355730719 /nfs/dbraw/zinc/73/07/19/355730719.db2.gz GVCPYUCEAUAMPV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000381044633 355730724 /nfs/dbraw/zinc/73/07/24/355730724.db2.gz GVCPYUCEAUAMPV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000381044633 355730728 /nfs/dbraw/zinc/73/07/28/355730728.db2.gz GVCPYUCEAUAMPV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000381044633 355730730 /nfs/dbraw/zinc/73/07/30/355730730.db2.gz GVCPYUCEAUAMPV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417612715 191906216 /nfs/dbraw/zinc/90/62/16/191906216.db2.gz RPRNFYQBDZUMPR-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000216464649 355995409 /nfs/dbraw/zinc/99/54/09/355995409.db2.gz DIDVEVLTDRDBAO-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000167194178 355968565 /nfs/dbraw/zinc/96/85/65/355968565.db2.gz IMZACFKZTYHTHS-GHMZBOCLSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000167198913 355969747 /nfs/dbraw/zinc/96/97/47/355969747.db2.gz SPNUYTMKJIAADH-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP [NH3+]Cc1noc([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000584350399 356064367 /nfs/dbraw/zinc/06/43/67/356064367.db2.gz HWQPCHSUXDLIDC-JTQLQIEISA-N 2 1 230.271 0.763 20 0 BCADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617553723 356109940 /nfs/dbraw/zinc/10/99/40/356109940.db2.gz OVURQJOWIWPDPV-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617553721 356110540 /nfs/dbraw/zinc/11/05/40/356110540.db2.gz OVURQJOWIWPDPV-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C(=O)C[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000617555134 356111716 /nfs/dbraw/zinc/11/17/16/356111716.db2.gz QIBUNPGNRGVTSK-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH3+] ZINC000418185339 191993161 /nfs/dbraw/zinc/99/31/61/191993161.db2.gz OSRYVMKUVJCDRF-JTQLQIEISA-N 2 1 228.340 0.119 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH2+]C ZINC000418199642 191994396 /nfs/dbraw/zinc/99/43/96/191994396.db2.gz OEWSTFCSTQOHMD-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP Cc1cnc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000351860172 356097968 /nfs/dbraw/zinc/09/79/68/356097968.db2.gz HRNFBAJHOUNGSY-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000351860172 356097973 /nfs/dbraw/zinc/09/79/73/356097973.db2.gz HRNFBAJHOUNGSY-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000351866166 356101980 /nfs/dbraw/zinc/10/19/80/356101980.db2.gz QOWBMUDEQIXYAV-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000351866166 356101982 /nfs/dbraw/zinc/10/19/82/356101982.db2.gz QOWBMUDEQIXYAV-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CN(CC[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000420267870 192193106 /nfs/dbraw/zinc/19/31/06/192193106.db2.gz GEISSXQTULAXCV-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)C[NH3+])n1 ZINC000420218668 192194146 /nfs/dbraw/zinc/19/41/46/192194146.db2.gz PSRBDWGTLLWFHU-VIFPVBQESA-N 2 1 246.318 0.977 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420292649 192203660 /nfs/dbraw/zinc/20/36/60/192203660.db2.gz PTVGENXVUHWYOO-NWDGAFQWSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420292649 192203662 /nfs/dbraw/zinc/20/36/62/192203662.db2.gz PTVGENXVUHWYOO-NWDGAFQWSA-N 2 1 211.353 0.670 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420294133 192203916 /nfs/dbraw/zinc/20/39/16/192203916.db2.gz SLIWOBNOTXABAX-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299669 192207411 /nfs/dbraw/zinc/20/74/11/192207411.db2.gz BGFVJVVUQSUFBK-QJPTWQEYSA-N 2 1 240.347 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420296238 192204290 /nfs/dbraw/zinc/20/42/90/192204290.db2.gz WWFOSMXLUJWVLR-MNOVXSKESA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300970 192206320 /nfs/dbraw/zinc/20/63/20/192206320.db2.gz DLTWVAOJCKYCRS-QWRGUYRKSA-N 2 1 240.347 0.999 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420319545 192195555 /nfs/dbraw/zinc/19/55/55/192195555.db2.gz XQXGDNGVRAOGPR-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCOC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420303533 192206785 /nfs/dbraw/zinc/20/67/85/192206785.db2.gz KOFSNAGKMLGBBL-NSHDSACASA-N 2 1 216.325 0.903 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127627 134093214 /nfs/dbraw/zinc/09/32/14/134093214.db2.gz GAVWISNBIFVIQU-PSASIEDQSA-N 2 1 225.336 0.323 20 0 BCADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000420282053 192199529 /nfs/dbraw/zinc/19/95/29/192199529.db2.gz AKZNFBPSWBBTLH-UPJWGTAASA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000420282053 192199532 /nfs/dbraw/zinc/19/95/32/192199532.db2.gz AKZNFBPSWBBTLH-UPJWGTAASA-N 3 1 223.364 0.812 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420284879 192200002 /nfs/dbraw/zinc/20/00/02/192200002.db2.gz CYGYJSLPIZWYEE-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420284879 192200004 /nfs/dbraw/zinc/20/00/04/192200004.db2.gz CYGYJSLPIZWYEE-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H](C[NH3+])N(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420291444 192202610 /nfs/dbraw/zinc/20/26/10/192202610.db2.gz NNXQEZNFSRYBQO-SDDRHHMPSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H](C[NH3+])N(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420291444 192202612 /nfs/dbraw/zinc/20/26/12/192202612.db2.gz NNXQEZNFSRYBQO-SDDRHHMPSA-N 2 1 227.352 0.129 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420291931 192202937 /nfs/dbraw/zinc/20/29/37/192202937.db2.gz OPFFSRDJMUQDAM-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCCC[C@H]2C[NH3+])CCO1 ZINC000420292009 192202999 /nfs/dbraw/zinc/20/29/99/192202999.db2.gz LFGVMYKNEJYEGL-STQMWFEESA-N 2 1 241.379 0.520 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCCC[C@H]2C[NH3+])CCO1 ZINC000420292009 192203002 /nfs/dbraw/zinc/20/30/02/192203002.db2.gz LFGVMYKNEJYEGL-STQMWFEESA-N 2 1 241.379 0.520 20 0 BCADMP C[NH2+]CCN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420340380 192215542 /nfs/dbraw/zinc/21/55/42/192215542.db2.gz RQTSSXPLIOSZEH-TXEJJXNPSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+]CCN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420340380 192215545 /nfs/dbraw/zinc/21/55/45/192215545.db2.gz RQTSSXPLIOSZEH-TXEJJXNPSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000420340899 192216026 /nfs/dbraw/zinc/21/60/26/192216026.db2.gz SSTUPYFCWOTGNO-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000420340899 192216029 /nfs/dbraw/zinc/21/60/29/192216029.db2.gz SSTUPYFCWOTGNO-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP COCCOCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351719 192217126 /nfs/dbraw/zinc/21/71/26/192217126.db2.gz AFTQRVKERZBXLZ-CYBMUJFWSA-N 2 1 242.363 0.725 20 0 BCADMP COCCOCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351719 192217129 /nfs/dbraw/zinc/21/71/29/192217129.db2.gz AFTQRVKERZBXLZ-CYBMUJFWSA-N 2 1 242.363 0.725 20 0 BCADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349928 192218491 /nfs/dbraw/zinc/21/84/91/192218491.db2.gz FFPDKMWUGIEWDC-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349928 192218494 /nfs/dbraw/zinc/21/84/94/192218494.db2.gz FFPDKMWUGIEWDC-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420349342 192218498 /nfs/dbraw/zinc/21/84/98/192218498.db2.gz CNQZKXSIWBLTCI-TUAOUCFPSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420349342 192218501 /nfs/dbraw/zinc/21/85/01/192218501.db2.gz CNQZKXSIWBLTCI-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420349342 192218502 /nfs/dbraw/zinc/21/85/02/192218502.db2.gz CNQZKXSIWBLTCI-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420349342 192218505 /nfs/dbraw/zinc/21/85/05/192218505.db2.gz CNQZKXSIWBLTCI-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919246 181268045 /nfs/dbraw/zinc/26/80/45/181268045.db2.gz GWGBYWACNLWZSG-RYUDHWBXSA-N 2 1 239.363 0.716 20 0 BCADMP CCOC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390404881 356369076 /nfs/dbraw/zinc/36/90/76/356369076.db2.gz BFXLQXMSIIWHDX-PHIMTYICSA-N 2 1 226.320 0.481 20 0 BCADMP CCOC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390404881 356369081 /nfs/dbraw/zinc/36/90/81/356369081.db2.gz BFXLQXMSIIWHDX-PHIMTYICSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+][C@@H](C)[C@@H]2C)CCO1 ZINC000420315507 192212514 /nfs/dbraw/zinc/21/25/14/192212514.db2.gz RSOZSQAQUGFIBT-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+][C@@H](C)[C@@H]2C)CCO1 ZINC000420315507 192212517 /nfs/dbraw/zinc/21/25/17/192212517.db2.gz RSOZSQAQUGFIBT-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP CNC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000420316958 192212933 /nfs/dbraw/zinc/21/29/33/192212933.db2.gz OCDALTVGVDEUDQ-UHFFFAOYSA-N 2 1 227.352 0.573 20 0 BCADMP CCOC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367150 192225726 /nfs/dbraw/zinc/22/57/26/192225726.db2.gz MPPCSGWTIMBTNV-HOSYDEDBSA-N 2 1 228.336 0.916 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420322697 192227409 /nfs/dbraw/zinc/22/74/09/192227409.db2.gz XBPWAWZHYDSYCD-ZYHUDNBSSA-N 2 1 211.353 0.655 20 0 BCADMP CN(CC[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000420322697 192227410 /nfs/dbraw/zinc/22/74/10/192227410.db2.gz XBPWAWZHYDSYCD-ZYHUDNBSSA-N 2 1 211.353 0.655 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420323486 192228436 /nfs/dbraw/zinc/22/84/36/192228436.db2.gz YCQAIGCKQZFFID-VXGBXAGGSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420323486 192228438 /nfs/dbraw/zinc/22/84/38/192228438.db2.gz YCQAIGCKQZFFID-VXGBXAGGSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1cccn1 ZINC000420372214 192228783 /nfs/dbraw/zinc/22/87/83/192228783.db2.gz QBHDIDKHAAURHM-UTUOFQBUSA-N 2 1 222.336 0.859 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327916 192229994 /nfs/dbraw/zinc/22/99/94/192229994.db2.gz LSCYMIUSFAQSTB-SDDRHHMPSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327916 192229996 /nfs/dbraw/zinc/22/99/96/192229996.db2.gz LSCYMIUSFAQSTB-SDDRHHMPSA-N 2 1 211.353 0.655 20 0 BCADMP C[N@@H+](CCC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000420326965 192230724 /nfs/dbraw/zinc/23/07/24/192230724.db2.gz FTRJKUKZLPXQJV-UHFFFAOYSA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+](CCOC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000420357696 192220609 /nfs/dbraw/zinc/22/06/09/192220609.db2.gz SMNAXEJIIUPGJQ-LBPRGKRZSA-N 2 1 244.379 0.977 20 0 BCADMP C[N@@H+](CCOC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000420357696 192220611 /nfs/dbraw/zinc/22/06/11/192220611.db2.gz SMNAXEJIIUPGJQ-LBPRGKRZSA-N 2 1 244.379 0.977 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCNC(=O)C(C)C ZINC000420363670 192223930 /nfs/dbraw/zinc/22/39/30/192223930.db2.gz BTTBUJGAURICLZ-UHFFFAOYSA-N 2 1 215.341 0.300 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCNC(=O)C(C)C ZINC000420363670 192223933 /nfs/dbraw/zinc/22/39/33/192223933.db2.gz BTTBUJGAURICLZ-UHFFFAOYSA-N 2 1 215.341 0.300 20 0 BCADMP CCC[C@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000420363688 192224408 /nfs/dbraw/zinc/22/44/08/192224408.db2.gz BVXSHFRWYJGIEU-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420391126 192236308 /nfs/dbraw/zinc/23/63/08/192236308.db2.gz YPEUKZBLBVIVQS-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1CCCC1=O ZINC000420373508 192232221 /nfs/dbraw/zinc/23/22/21/192232221.db2.gz RGAKHXGRAHSOFL-NQBHXWOUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1CCCC1=O ZINC000420373506 192232371 /nfs/dbraw/zinc/23/23/71/192232371.db2.gz RGAKHXGRAHSOFL-MDZLAQPJSA-N 2 1 239.363 0.585 20 0 BCADMP Nc1cc(N)nc(SCCn2ccnc2)n1 ZINC000041023839 358504919 /nfs/dbraw/zinc/50/49/19/358504919.db2.gz BQFJZSAYWCWHKY-UHFFFAOYSA-N 2 1 236.304 0.630 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000167590764 134106226 /nfs/dbraw/zinc/10/62/26/134106226.db2.gz POINZBWRPOJIHR-JQWIXIFHSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000167590764 134106227 /nfs/dbraw/zinc/10/62/27/134106227.db2.gz POINZBWRPOJIHR-JQWIXIFHSA-N 2 1 222.336 0.837 20 0 BCADMP Cn1cncc1CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000639554161 356456352 /nfs/dbraw/zinc/45/63/52/356456352.db2.gz BMMRDZKUEFKNKT-GFCCVEGCSA-N 2 1 248.330 0.269 20 0 BCADMP CC[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000019432815 356483172 /nfs/dbraw/zinc/48/31/72/356483172.db2.gz OBKDNKXMSNMVDJ-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843089 356485900 /nfs/dbraw/zinc/48/59/00/356485900.db2.gz ZOHIWJBBYGWYLQ-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843089 356485901 /nfs/dbraw/zinc/48/59/01/356485901.db2.gz ZOHIWJBBYGWYLQ-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000020315741 356488258 /nfs/dbraw/zinc/48/82/58/356488258.db2.gz BWKNWFMMRGNYOF-NSHDSACASA-N 2 1 222.336 0.899 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000020315741 356488262 /nfs/dbraw/zinc/48/82/62/356488262.db2.gz BWKNWFMMRGNYOF-NSHDSACASA-N 2 1 222.336 0.899 20 0 BCADMP NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493591 181279396 /nfs/dbraw/zinc/27/93/96/181279396.db2.gz QZAKYZBDSVVXHF-GHMZBOCLSA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493591 181279397 /nfs/dbraw/zinc/27/93/97/181279397.db2.gz QZAKYZBDSVVXHF-GHMZBOCLSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000639582061 356503118 /nfs/dbraw/zinc/50/31/18/356503118.db2.gz ZTDCQPBXBIFFGU-ZJUUUORDSA-N 2 1 211.309 0.569 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H](CC)C(=O)NC)CC1 ZINC000449773847 202031191 /nfs/dbraw/zinc/03/11/91/202031191.db2.gz KUGSWMFHRSEOND-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)[C@](C)(CO)[NH2+]CCc1c[nH+]cn1C ZINC000639647316 356553387 /nfs/dbraw/zinc/55/33/87/356553387.db2.gz CZHMFQSWXGFMDK-LBPRGKRZSA-N 2 1 225.336 0.959 20 0 BCADMP CC[N@@H+]1CCN(CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000639642479 356555317 /nfs/dbraw/zinc/55/53/17/356555317.db2.gz SBZKFTYKVVVCPD-GFCCVEGCSA-N 2 1 236.363 0.989 20 0 BCADMP CC[N@H+]1CCN(CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000639642479 356555320 /nfs/dbraw/zinc/55/53/20/356555320.db2.gz SBZKFTYKVVVCPD-GFCCVEGCSA-N 2 1 236.363 0.989 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630088266 363482151 /nfs/dbraw/zinc/48/21/51/363482151.db2.gz ANJAZBZNMKTDFE-KOLCDFICSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@@H]1[C@H](O)CCC[N@H+]1CCc1cncn1C ZINC000639663053 356576138 /nfs/dbraw/zinc/57/61/38/356576138.db2.gz PVNTYNZHTCPWNS-ZYHUDNBSSA-N 2 1 223.320 0.808 20 0 BCADMP CC[N@H+]1CCCN(c2ccncc2C(N)=O)CC1 ZINC000302019471 356600792 /nfs/dbraw/zinc/60/07/92/356600792.db2.gz HAPCFIKUHSXNDJ-UHFFFAOYSA-N 2 1 248.330 0.713 20 0 BCADMP CC[N@H+]1CCCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302019471 356600797 /nfs/dbraw/zinc/60/07/97/356600797.db2.gz HAPCFIKUHSXNDJ-UHFFFAOYSA-N 2 1 248.330 0.713 20 0 BCADMP C[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684165 356600827 /nfs/dbraw/zinc/60/08/27/356600827.db2.gz SJHVFHWKROMYBI-LBPRGKRZSA-N 2 1 235.331 0.975 20 0 BCADMP C[C@](O)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000381582838 538468666 /nfs/dbraw/zinc/46/86/66/538468666.db2.gz AYZSKMICEWQYPT-HLTSFMKQSA-N 2 1 238.253 0.451 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423031560 192544845 /nfs/dbraw/zinc/54/48/45/192544845.db2.gz XCUPJSCVPNYDNV-USZNOCQGSA-N 2 1 239.363 0.631 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757568 356663633 /nfs/dbraw/zinc/66/36/33/356663633.db2.gz HYAPWXNNPUAVNO-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627226737 363555441 /nfs/dbraw/zinc/55/54/41/363555441.db2.gz QZCIMYFBJQDNMF-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](CCc3cn[nH]n3)C2)CC1 ZINC000639755198 356658478 /nfs/dbraw/zinc/65/84/78/356658478.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 1 249.362 0.765 20 0 BCADMP C[NH+]1CCC2(CC[N@H+](CCc3c[nH]nn3)C2)CC1 ZINC000639755198 356658482 /nfs/dbraw/zinc/65/84/82/356658482.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 1 249.362 0.765 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](CCc3c[nH]nn3)C2)CC1 ZINC000639755198 356658485 /nfs/dbraw/zinc/65/84/85/356658485.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 1 249.362 0.765 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](CCO)COC)CC1 ZINC000168057218 134155769 /nfs/dbraw/zinc/15/57/69/134155769.db2.gz QLYLEDSZHYQLRF-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@H](C[N@H+]1CCC[C@@](O)(CN(C)C)C1)OC ZINC000639760861 356676062 /nfs/dbraw/zinc/67/60/62/356676062.db2.gz BWKPDESOHXDBRN-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OC ZINC000639760861 356676069 /nfs/dbraw/zinc/67/60/69/356676069.db2.gz BWKPDESOHXDBRN-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC(C)OCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762133 356684877 /nfs/dbraw/zinc/68/48/77/356684877.db2.gz GORFEGTUTSEXGS-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CC(C)OCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762133 356684880 /nfs/dbraw/zinc/68/48/80/356684880.db2.gz GORFEGTUTSEXGS-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CO[C@H](C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769295 356708661 /nfs/dbraw/zinc/70/86/61/356708661.db2.gz XNQCPFCVRHDSOY-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769295 356708662 /nfs/dbraw/zinc/70/86/62/356708662.db2.gz XNQCPFCVRHDSOY-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373256 356882857 /nfs/dbraw/zinc/88/28/57/356882857.db2.gz YJRDYOPIXZDDFC-NXEZZACHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853206 /nfs/dbraw/zinc/85/32/06/356853206.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853208 /nfs/dbraw/zinc/85/32/08/356853208.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853210 /nfs/dbraw/zinc/85/32/10/356853210.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851156 356855112 /nfs/dbraw/zinc/85/51/12/356855112.db2.gz ZHKPBZZROSHQGK-NWDGAFQWSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851156 356855116 /nfs/dbraw/zinc/85/51/16/356855116.db2.gz ZHKPBZZROSHQGK-NWDGAFQWSA-N 2 1 239.319 0.009 20 0 BCADMP CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362361673 356944318 /nfs/dbraw/zinc/94/43/18/356944318.db2.gz ZGOVKOJUUZYEJA-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362361673 356944319 /nfs/dbraw/zinc/94/43/19/356944319.db2.gz ZGOVKOJUUZYEJA-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362361673 356944321 /nfs/dbraw/zinc/94/43/21/356944321.db2.gz ZGOVKOJUUZYEJA-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234862 192643232 /nfs/dbraw/zinc/64/32/32/192643232.db2.gz MJHWOKOUCSPYFF-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000392360972 357148013 /nfs/dbraw/zinc/14/80/13/357148013.db2.gz BGKPTGSJJONGGJ-NXEZZACHSA-N 2 1 223.324 0.515 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392824602 357240053 /nfs/dbraw/zinc/24/00/53/357240053.db2.gz USRJLCFQVMCJGW-NSHDSACASA-N 2 1 237.347 0.505 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392824602 357240054 /nfs/dbraw/zinc/24/00/54/357240054.db2.gz USRJLCFQVMCJGW-NSHDSACASA-N 2 1 237.347 0.505 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392806189 357234958 /nfs/dbraw/zinc/23/49/58/357234958.db2.gz CKTRVLHYWXYDSD-VXGBXAGGSA-N 2 1 237.347 0.363 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)COC ZINC000393729842 357294421 /nfs/dbraw/zinc/29/44/21/357294421.db2.gz DMPHVPIFVDPBKE-JTQLQIEISA-N 2 1 218.341 0.314 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)COC ZINC000393729842 357294425 /nfs/dbraw/zinc/29/44/25/357294425.db2.gz DMPHVPIFVDPBKE-JTQLQIEISA-N 2 1 218.341 0.314 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000393911918 357307025 /nfs/dbraw/zinc/30/70/25/357307025.db2.gz ADLHEGCUJGDOOD-LLVKDONJSA-N 2 1 232.368 0.704 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000393911918 357307029 /nfs/dbraw/zinc/30/70/29/357307029.db2.gz ADLHEGCUJGDOOD-LLVKDONJSA-N 2 1 232.368 0.704 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000393342411 357307755 /nfs/dbraw/zinc/30/77/55/357307755.db2.gz GJGFJKMKMOYZQN-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000393342411 357307757 /nfs/dbraw/zinc/30/77/57/357307757.db2.gz GJGFJKMKMOYZQN-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000393342411 357307760 /nfs/dbraw/zinc/30/77/60/357307760.db2.gz GJGFJKMKMOYZQN-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000393342411 357307763 /nfs/dbraw/zinc/30/77/63/357307763.db2.gz GJGFJKMKMOYZQN-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490293 357319093 /nfs/dbraw/zinc/31/90/93/357319093.db2.gz ACPHNMAPTHDRNC-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000582736714 357377428 /nfs/dbraw/zinc/37/74/28/357377428.db2.gz GOYLTWACBJUKMN-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCOC1)C1CC1 ZINC000397156162 357504860 /nfs/dbraw/zinc/50/48/60/357504860.db2.gz OFWLWVAIRRMDEU-QWHCGFSZSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CCOC1)C1CC1 ZINC000397156162 357504868 /nfs/dbraw/zinc/50/48/68/357504868.db2.gz OFWLWVAIRRMDEU-QWHCGFSZSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCOC1)C1CC1 ZINC000397156160 357505022 /nfs/dbraw/zinc/50/50/22/357505022.db2.gz OFWLWVAIRRMDEU-CHWSQXEVSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCOC1)C1CC1 ZINC000397156160 357505025 /nfs/dbraw/zinc/50/50/25/357505025.db2.gz OFWLWVAIRRMDEU-CHWSQXEVSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000583079826 357473682 /nfs/dbraw/zinc/47/36/82/357473682.db2.gz NIZKBAUJMVBVST-RYUDHWBXSA-N 2 1 243.395 0.371 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCCOC ZINC000397457825 357514596 /nfs/dbraw/zinc/51/45/96/357514596.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCCOC ZINC000397457825 357514599 /nfs/dbraw/zinc/51/45/99/357514599.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCCOC ZINC000397457825 357514601 /nfs/dbraw/zinc/51/46/01/357514601.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCCOC ZINC000397457825 357514603 /nfs/dbraw/zinc/51/46/03/357514603.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 2 1 232.368 0.657 20 0 BCADMP C[C@@H](CCO)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397768985 357683030 /nfs/dbraw/zinc/68/30/30/357683030.db2.gz KJWBHORGWAMXBX-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CCO)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397768985 357683033 /nfs/dbraw/zinc/68/30/33/357683033.db2.gz KJWBHORGWAMXBX-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399074935 357894749 /nfs/dbraw/zinc/89/47/49/357894749.db2.gz PGBXTAREBUBFHU-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398375153 357884646 /nfs/dbraw/zinc/88/46/46/357884646.db2.gz KIERQYHBNPNHBY-YPMHNXCESA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398375153 357884649 /nfs/dbraw/zinc/88/46/49/357884649.db2.gz KIERQYHBNPNHBY-YPMHNXCESA-N 2 1 244.379 0.582 20 0 BCADMP COC[C@@](C)(CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000639957651 357982131 /nfs/dbraw/zinc/98/21/31/357982131.db2.gz RIMIGPXGTWWCEI-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP COC[C@@](C)(CO)[NH2+]CCCn1cc[nH+]c1C ZINC000639957979 357982174 /nfs/dbraw/zinc/98/21/74/357982174.db2.gz XYMIBVACNGCCLA-GFCCVEGCSA-N 2 1 241.335 0.569 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975914 358001292 /nfs/dbraw/zinc/00/12/92/358001292.db2.gz UFVGVLUDSAAQAS-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975878 358001335 /nfs/dbraw/zinc/00/13/35/358001335.db2.gz FCVLIPUEYHCYAS-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000219929009 358010922 /nfs/dbraw/zinc/01/09/22/358010922.db2.gz GPOUDBXQDYUDGZ-VXGBXAGGSA-N 2 1 241.379 0.688 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000220124516 358019374 /nfs/dbraw/zinc/01/93/74/358019374.db2.gz BHLNYYIYLIYNEH-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000583867254 358056616 /nfs/dbraw/zinc/05/66/16/358056616.db2.gz XDKLLSMNZSOUCV-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485368 358073157 /nfs/dbraw/zinc/07/31/57/358073157.db2.gz NYGZQEJURMCWQC-GXSJLCMTSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217557042 134248394 /nfs/dbraw/zinc/24/83/94/134248394.db2.gz WFWTVYHPLGVXML-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217557042 134248395 /nfs/dbraw/zinc/24/83/95/134248395.db2.gz WFWTVYHPLGVXML-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618228 358084195 /nfs/dbraw/zinc/08/41/95/358084195.db2.gz OUAIMLQCIRXUIY-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000584721034 358162200 /nfs/dbraw/zinc/16/22/00/358162200.db2.gz ZYPKQFCHELWXRQ-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000584721034 358162202 /nfs/dbraw/zinc/16/22/02/358162202.db2.gz ZYPKQFCHELWXRQ-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040624260 358243914 /nfs/dbraw/zinc/24/39/14/358243914.db2.gz YWBUNLGKQIDGKS-NEPJUHHUSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624499 358244217 /nfs/dbraw/zinc/24/42/17/358244217.db2.gz OGZXGRVPMIYRHT-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000040624443 358244339 /nfs/dbraw/zinc/24/43/39/358244339.db2.gz AGWAACZGTXWJKZ-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)C[NH3+])C1CC1 ZINC000218864204 134265018 /nfs/dbraw/zinc/26/50/18/134265018.db2.gz NPSFJTZLFIJDHK-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218875245 134265688 /nfs/dbraw/zinc/26/56/88/134265688.db2.gz MPDKQOFEHYXRND-JTQLQIEISA-N 2 1 215.341 0.429 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000226510835 358340963 /nfs/dbraw/zinc/34/09/63/358340963.db2.gz REWUSLOFFSBSFZ-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000226677405 358342933 /nfs/dbraw/zinc/34/29/33/358342933.db2.gz JWROTNGSVGDZOI-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000226677405 358342934 /nfs/dbraw/zinc/34/29/34/358342934.db2.gz JWROTNGSVGDZOI-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000049559651 491128785 /nfs/dbraw/zinc/12/87/85/491128785.db2.gz IIUHVPMDWRTBKN-DTWKUNHWSA-N 2 1 231.365 0.105 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173901413 134278223 /nfs/dbraw/zinc/27/82/23/134278223.db2.gz HAGMTVUPSSNWNP-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173901413 134278224 /nfs/dbraw/zinc/27/82/24/134278224.db2.gz HAGMTVUPSSNWNP-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000044364679 358407830 /nfs/dbraw/zinc/40/78/30/358407830.db2.gz GRSMEWWDRRHHOC-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000173904050 134278631 /nfs/dbraw/zinc/27/86/31/134278631.db2.gz NWMKIBWOMQSEHO-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000043605776 358384585 /nfs/dbraw/zinc/38/45/85/358384585.db2.gz QHKGXEORLNOXEI-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP COC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219273942 134276913 /nfs/dbraw/zinc/27/69/13/134276913.db2.gz FWZOYRVMJRDCHO-WODVXLOZSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538900 358389841 /nfs/dbraw/zinc/38/98/41/358389841.db2.gz RWYFXNVGNQFAJG-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000044538943 358391163 /nfs/dbraw/zinc/39/11/63/358391163.db2.gz PRJIWIYCOXEFBS-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044539001 358391203 /nfs/dbraw/zinc/39/12/03/358391203.db2.gz OPSVMRKQUWZLCQ-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000044725576 358392388 /nfs/dbraw/zinc/39/23/88/358392388.db2.gz QDUZDNVTXACRNN-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693852 358416247 /nfs/dbraw/zinc/41/62/47/358416247.db2.gz OZNJUVRWEIYGGU-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726722 358552991 /nfs/dbraw/zinc/55/29/91/358552991.db2.gz BCSCPJHJYOHSDC-ZYHUDNBSSA-N 2 1 239.363 0.857 20 0 BCADMP CC1(CNC(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]CC1 ZINC000129972378 358602914 /nfs/dbraw/zinc/60/29/14/358602914.db2.gz FJUYLKVAKUQMER-VIFPVBQESA-N 2 1 243.376 0.155 20 0 BCADMP NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972640 358609091 /nfs/dbraw/zinc/60/90/91/358609091.db2.gz GAAQJCHEZILVLJ-UHFFFAOYSA-N 2 1 225.336 0.280 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167429706 358763275 /nfs/dbraw/zinc/76/32/75/358763275.db2.gz YBYLBZCCQXIDPV-QWRGUYRKSA-N 2 1 200.326 0.687 20 0 BCADMP COC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000050120774 358717144 /nfs/dbraw/zinc/71/71/44/358717144.db2.gz XTZOPRLKWCQCTM-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000050120774 358717149 /nfs/dbraw/zinc/71/71/49/358717149.db2.gz XTZOPRLKWCQCTM-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132885003 358737662 /nfs/dbraw/zinc/73/76/62/358737662.db2.gz BLCJVGDLLZILSX-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931465 358921467 /nfs/dbraw/zinc/92/14/67/358921467.db2.gz MQDDIDPOWSNXDI-GXSJLCMTSA-N 2 1 227.352 0.570 20 0 BCADMP OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246489946 359121064 /nfs/dbraw/zinc/12/10/64/359121064.db2.gz HBLRCYCVDMDGMP-DGCLKSJQSA-N 2 1 224.348 0.927 20 0 BCADMP CNC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000072982111 359094210 /nfs/dbraw/zinc/09/42/10/359094210.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)CC1(C)C ZINC000623469686 359742652 /nfs/dbraw/zinc/74/26/52/359742652.db2.gz LFXKSOGGRLYKRE-LLVKDONJSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)COC2)CC1(C)C ZINC000623469687 359743038 /nfs/dbraw/zinc/74/30/38/359743038.db2.gz LFXKSOGGRLYKRE-NSHDSACASA-N 2 1 242.363 0.458 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000163597835 359773423 /nfs/dbraw/zinc/77/34/23/359773423.db2.gz MBMQXMKFMLPORV-VHSXEESVSA-N 2 1 245.392 0.277 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578364845 366539728 /nfs/dbraw/zinc/53/97/28/366539728.db2.gz KUZCANZJRPBDQN-NXEZZACHSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@H]([NH2+]CCOC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000578518518 366588244 /nfs/dbraw/zinc/58/82/44/366588244.db2.gz OCOGNYCFQGKWKC-UPJWGTAASA-N 2 1 242.363 0.912 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]C2(CO)CC2)CC1(C)C ZINC000623471484 359876868 /nfs/dbraw/zinc/87/68/68/359876868.db2.gz AMUASDODXPIQFT-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C2(CO)CC2)CC1(C)C ZINC000623471484 359876872 /nfs/dbraw/zinc/87/68/72/359876872.db2.gz AMUASDODXPIQFT-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578631052 366614019 /nfs/dbraw/zinc/61/40/19/366614019.db2.gz OCAGDRRPDXBYEN-GHMZBOCLSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000087526197 359916945 /nfs/dbraw/zinc/91/69/45/359916945.db2.gz JVHKYINWXHRIJD-NEPJUHHUSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000088091196 359937166 /nfs/dbraw/zinc/93/71/66/359937166.db2.gz GTZIJQLXKYWIIZ-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+]C[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000578782325 366647553 /nfs/dbraw/zinc/64/75/53/366647553.db2.gz WPDHHHLLELHXAR-MRVPVSSYSA-N 2 1 235.278 0.168 20 0 BCADMP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000614038819 363714164 /nfs/dbraw/zinc/71/41/64/363714164.db2.gz DLNBGIGEGDNHPB-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094460238 360308633 /nfs/dbraw/zinc/30/86/33/360308633.db2.gz JASUVJIQZNIHFT-GHMZBOCLSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000306588951 360494257 /nfs/dbraw/zinc/49/42/57/360494257.db2.gz WGPXBAIVRMIXDW-VLEAKVRGSA-N 2 1 200.326 0.672 20 0 BCADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631100522 360537647 /nfs/dbraw/zinc/53/76/47/360537647.db2.gz XGZIHGHFBJCCQX-GFCCVEGCSA-N 2 1 239.319 0.189 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407435 361055495 /nfs/dbraw/zinc/05/54/95/361055495.db2.gz ACXDNYALSGTKEW-DNIRFERGSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629407581 361056299 /nfs/dbraw/zinc/05/62/99/361056299.db2.gz FDINJDNQGNNXAZ-QNWHQSFQSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000629408656 361059218 /nfs/dbraw/zinc/05/92/18/361059218.db2.gz YBUHJOWKOKIDAU-MPPDQPJWSA-N 2 1 223.364 0.952 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629509501 361103829 /nfs/dbraw/zinc/10/38/29/361103829.db2.gz AHCOTMXVVHEQNM-LBPRGKRZSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC2CCOCC2)CC[C@@H]1[NH3+] ZINC000629510270 361107306 /nfs/dbraw/zinc/10/73/06/361107306.db2.gz PDHDLIHDOQNCTF-YPMHNXCESA-N 2 1 242.363 0.851 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000629516447 361113815 /nfs/dbraw/zinc/11/38/15/361113815.db2.gz GAIXHRMQGPTNPY-MWLCHTKSSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000629516447 361113818 /nfs/dbraw/zinc/11/38/18/361113818.db2.gz GAIXHRMQGPTNPY-MWLCHTKSSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccnc1N ZINC000629516501 361114069 /nfs/dbraw/zinc/11/40/69/361114069.db2.gz ILZYWBZVCGVBII-UWVGGRQHSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520363 361116642 /nfs/dbraw/zinc/11/66/42/361116642.db2.gz KNCORPQGKGSDOO-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520363 361116645 /nfs/dbraw/zinc/11/66/45/361116645.db2.gz KNCORPQGKGSDOO-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000629528256 361135542 /nfs/dbraw/zinc/13/55/42/361135542.db2.gz UPWFNEIVMMEBAR-AXFHLTTASA-N 2 1 239.363 0.774 20 0 BCADMP C[NH2+]CCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000629531749 361149282 /nfs/dbraw/zinc/14/92/82/361149282.db2.gz WQNOLGFIGQCDHG-UHFFFAOYSA-N 3 1 241.379 0.439 20 0 BCADMP C[N@H+](CCOC1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000629532128 361151953 /nfs/dbraw/zinc/15/19/53/361151953.db2.gz MXSIPKJIDMVLNO-ZDUSSCGKSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCOC1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000629532128 361151958 /nfs/dbraw/zinc/15/19/58/361151958.db2.gz MXSIPKJIDMVLNO-ZDUSSCGKSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532431 361153137 /nfs/dbraw/zinc/15/31/37/361153137.db2.gz AOHXBFCWRAPGBI-TUAOUCFPSA-N 2 1 227.352 0.047 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000629523158 361124251 /nfs/dbraw/zinc/12/42/51/361124251.db2.gz AIYVHAQDHMZJAR-RQSQLSILSA-N 2 1 245.326 0.985 20 0 BCADMP C[NH2+]C[C@@](C)(O)CN1CCC(CC[NH3+])CC1 ZINC000579132841 366721916 /nfs/dbraw/zinc/72/19/16/366721916.db2.gz OMQFHJBAERDYTE-GFCCVEGCSA-N 2 1 229.368 0.018 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1CCC(CC[NH3+])CC1 ZINC000579132842 366722404 /nfs/dbraw/zinc/72/24/04/366722404.db2.gz OMQFHJBAERDYTE-LBPRGKRZSA-N 2 1 229.368 0.018 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428439900 201018820 /nfs/dbraw/zinc/01/88/20/201018820.db2.gz NAPBNRDVJIQSPD-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H](F)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000579228315 366738480 /nfs/dbraw/zinc/73/84/80/366738480.db2.gz ICFLAYYTLVOZOI-MWLCHTKSSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H](F)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000579228315 366738486 /nfs/dbraw/zinc/73/84/86/366738486.db2.gz ICFLAYYTLVOZOI-MWLCHTKSSA-N 2 1 218.316 0.779 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000622044380 370676770 /nfs/dbraw/zinc/67/67/70/370676770.db2.gz DARSGRQQNCLFEH-WCQGTBRESA-N 2 1 225.336 0.337 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428904086 201046866 /nfs/dbraw/zinc/04/68/66/201046866.db2.gz YHELKBLMYWQECO-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000429142028 201071229 /nfs/dbraw/zinc/07/12/29/201071229.db2.gz MRIIOXKBRWLIMM-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000429142027 201073308 /nfs/dbraw/zinc/07/33/08/201073308.db2.gz MRIIOXKBRWLIMM-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429030686 201060834 /nfs/dbraw/zinc/06/08/34/201060834.db2.gz RVPQVZXHTBYWED-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000429165249 201075588 /nfs/dbraw/zinc/07/55/88/201075588.db2.gz SHUKRAMJXDYTKW-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000429335027 201100579 /nfs/dbraw/zinc/10/05/79/201100579.db2.gz NTZVMZSLBVTCPC-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429562205 201116852 /nfs/dbraw/zinc/11/68/52/201116852.db2.gz YYFUTSVBQLYJQY-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629544092 361413049 /nfs/dbraw/zinc/41/30/49/361413049.db2.gz FANNLEBYRSIRGW-JZRPKSSGSA-N 2 1 223.364 0.715 20 0 BCADMP C[C@@H]([NH2+]CCOCCC[NH3+])c1c[nH+]ccc1N ZINC000629540620 361415243 /nfs/dbraw/zinc/41/52/43/361415243.db2.gz VUSNZKUSMNFANP-SNVBAGLBSA-N 3 1 238.335 0.510 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543104 361421647 /nfs/dbraw/zinc/42/16/47/361421647.db2.gz STODSWWNRWPIRV-UTUOFQBUSA-N 2 1 237.351 0.787 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C1C[NH2+]C1 ZINC000629555869 361448686 /nfs/dbraw/zinc/44/86/86/361448686.db2.gz HKJPTCXVLCLWAZ-BXKDBHETSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629544096 361422189 /nfs/dbraw/zinc/42/21/89/361422189.db2.gz FANNLEBYRSIRGW-ZOLYEBIHSA-N 2 1 223.364 0.715 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000629545623 361426784 /nfs/dbraw/zinc/42/67/84/361426784.db2.gz MHBGBZUZEATOHT-AEJSXWLSSA-N 2 1 225.336 0.384 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629546175 361427748 /nfs/dbraw/zinc/42/77/48/361427748.db2.gz OXUHRYAHHXSKNE-JHJVBQTASA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629546175 361427753 /nfs/dbraw/zinc/42/77/53/361427753.db2.gz OXUHRYAHHXSKNE-JHJVBQTASA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629549439 361441589 /nfs/dbraw/zinc/44/15/89/361441589.db2.gz VOUPBQSBSPSVOK-NNYUYHANSA-N 2 1 211.353 0.809 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000629568076 361460517 /nfs/dbraw/zinc/46/05/17/361460517.db2.gz IODMMFGTDZUXNK-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](OC)C1CCC1 ZINC000629570691 361460532 /nfs/dbraw/zinc/46/05/32/361460532.db2.gz BAMCIRIAGXTYPM-ZDUSSCGKSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCc1cccnc1 ZINC000629569380 361461548 /nfs/dbraw/zinc/46/15/48/361461548.db2.gz BLARFNZCWZPBIN-UHFFFAOYSA-N 2 1 237.347 0.792 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000629569751 361461631 /nfs/dbraw/zinc/46/16/31/361461631.db2.gz ZFKDMQHCWHTSAW-UHFFFAOYSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccnc1 ZINC000629571464 361462823 /nfs/dbraw/zinc/46/28/23/361462823.db2.gz VAMDTAYMCVZGRP-UHFFFAOYSA-N 2 1 223.320 0.749 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1ccnn1C ZINC000629572559 361463709 /nfs/dbraw/zinc/46/37/09/361463709.db2.gz XCDUQHWBCPFXRY-UHFFFAOYSA-N 2 1 226.324 0.088 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccnn1C ZINC000629572559 361463711 /nfs/dbraw/zinc/46/37/11/361463711.db2.gz XCDUQHWBCPFXRY-UHFFFAOYSA-N 2 1 226.324 0.088 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000629572435 361463936 /nfs/dbraw/zinc/46/39/36/361463936.db2.gz SMTZOPKEBMBWCG-GFCCVEGCSA-N 2 1 230.352 0.723 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)COC ZINC000629571945 361463945 /nfs/dbraw/zinc/46/39/45/361463945.db2.gz UOANQBZNSWVNEX-SNVBAGLBSA-N 2 1 204.314 0.189 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCC1CC[NH2+]CC1 ZINC000629578865 361464555 /nfs/dbraw/zinc/46/45/55/361464555.db2.gz WUZKHEPFDLMUKX-UHFFFAOYSA-N 3 1 229.368 0.283 20 0 BCADMP C[C@@H](c1cnccn1)[N@H+](C)CCOCC[NH3+] ZINC000629578214 361464718 /nfs/dbraw/zinc/46/47/18/361464718.db2.gz OSYKRXQXSKFCDH-JTQLQIEISA-N 2 1 224.308 0.445 20 0 BCADMP C[C@@H](c1cnccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629578214 361464725 /nfs/dbraw/zinc/46/47/25/361464725.db2.gz OSYKRXQXSKFCDH-JTQLQIEISA-N 2 1 224.308 0.445 20 0 BCADMP CCc1nc([C@@H](C)N(C)CCOCC[NH3+])n[nH]1 ZINC000629580717 361469339 /nfs/dbraw/zinc/46/93/39/361469339.db2.gz FLMYDGCLZNSUOK-SECBINFHSA-N 2 1 241.339 0.335 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000629581316 361470907 /nfs/dbraw/zinc/47/09/07/361470907.db2.gz VXTREYZFGBJREW-ZSBIGDGJSA-N 2 1 212.337 0.940 20 0 BCADMP CCc1nocc1C[N@H+](C)CCOCC[NH3+] ZINC000629581308 361470971 /nfs/dbraw/zinc/47/09/71/361470971.db2.gz VRSBJURLTIEWHT-UHFFFAOYSA-N 2 1 227.308 0.644 20 0 BCADMP CCc1nocc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581308 361470977 /nfs/dbraw/zinc/47/09/77/361470977.db2.gz VRSBJURLTIEWHT-UHFFFAOYSA-N 2 1 227.308 0.644 20 0 BCADMP CO[C@H](C[N@@H+](C)CCOCC[NH3+])C1CCC1 ZINC000629581347 361471423 /nfs/dbraw/zinc/47/14/23/361471423.db2.gz XERVYMXUZSHGAN-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCc2c(O)cccc2C1 ZINC000629582565 361472257 /nfs/dbraw/zinc/47/22/57/361472257.db2.gz UUFQFIKFITZYOM-UHFFFAOYSA-N 2 1 236.315 0.726 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430940001 201159965 /nfs/dbraw/zinc/15/99/65/201159965.db2.gz IITAALJZOHDTAJ-MWLCHTKSSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430940001 201159966 /nfs/dbraw/zinc/15/99/66/201159966.db2.gz IITAALJZOHDTAJ-MWLCHTKSSA-N 2 1 223.320 0.030 20 0 BCADMP COc1cccc2c1C[N@H+](CCOCC[NH3+])C2 ZINC000629581580 361472568 /nfs/dbraw/zinc/47/25/68/361472568.db2.gz DBYFLWJALILSEO-UHFFFAOYSA-N 2 1 236.315 0.986 20 0 BCADMP COc1cccc2c1C[N@@H+](CCOCC[NH3+])C2 ZINC000629581580 361472573 /nfs/dbraw/zinc/47/25/73/361472573.db2.gz DBYFLWJALILSEO-UHFFFAOYSA-N 2 1 236.315 0.986 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582922 361473130 /nfs/dbraw/zinc/47/31/30/361473130.db2.gz ZIDDGQGENNOTSC-TXEJJXNPSA-N 2 1 239.363 0.572 20 0 BCADMP Cc1cc(C2([NH2+]CCC[NH3+])CCOCC2)on1 ZINC000629589167 361476236 /nfs/dbraw/zinc/47/62/36/361476236.db2.gz ROULSUARTMWMLR-UHFFFAOYSA-N 2 1 239.319 0.927 20 0 BCADMP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629595544 361481903 /nfs/dbraw/zinc/48/19/03/361481903.db2.gz SACJWTSROJTROL-OLZOCXBDSA-N 2 1 239.363 0.587 20 0 BCADMP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629595543 361482165 /nfs/dbraw/zinc/48/21/65/361482165.db2.gz SACJWTSROJTROL-CHWSQXEVSA-N 2 1 239.363 0.587 20 0 BCADMP CN1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629594096 361484866 /nfs/dbraw/zinc/48/48/66/361484866.db2.gz KZIFRBXBDOVDAY-RTXFEEFZSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000629567258 361457786 /nfs/dbraw/zinc/45/77/86/361457786.db2.gz JCAOPNIFMXZEID-GFCCVEGCSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000629567258 361457788 /nfs/dbraw/zinc/45/77/88/361457788.db2.gz JCAOPNIFMXZEID-GFCCVEGCSA-N 2 1 229.368 0.154 20 0 BCADMP CCn1cc(C[N@@H+](C)CCOCC[NH2+]C)cn1 ZINC000629653031 361551321 /nfs/dbraw/zinc/55/13/21/361551321.db2.gz KRRYXJFVUHLANZ-UHFFFAOYSA-N 2 1 240.351 0.571 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000434678170 201232817 /nfs/dbraw/zinc/23/28/17/201232817.db2.gz CRTUJCIVPFVRPR-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000434697570 201234157 /nfs/dbraw/zinc/23/41/57/201234157.db2.gz QEQCFDJBSJQIIU-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434707045 201236182 /nfs/dbraw/zinc/23/61/82/201236182.db2.gz PFZXBEVXLLRBQO-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434707044 201237115 /nfs/dbraw/zinc/23/71/15/201237115.db2.gz PFZXBEVXLLRBQO-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000435881480 201292086 /nfs/dbraw/zinc/29/20/86/201292086.db2.gz BHCVGUAQYXUWQE-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000435879892 201292343 /nfs/dbraw/zinc/29/23/43/201292343.db2.gz GCFXFLPIMPYKHZ-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCCN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000435879892 201292345 /nfs/dbraw/zinc/29/23/45/201292345.db2.gz GCFXFLPIMPYKHZ-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP [NH3+]C1CC[NH+](CCOCC(F)F)CC1 ZINC000236225326 181343332 /nfs/dbraw/zinc/34/33/32/181343332.db2.gz DTLIUBWRTBEMDF-UHFFFAOYSA-N 2 1 208.252 0.691 20 0 BCADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058333 201308059 /nfs/dbraw/zinc/30/80/59/201308059.db2.gz IOCJCQLRTHGLLO-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000435876932 201292913 /nfs/dbraw/zinc/29/29/13/201292913.db2.gz LTNAXAZQJUKCOH-LBPRGKRZSA-N 2 1 237.351 0.600 20 0 BCADMP CC[C@@H]1CN(CCC[NH2+]C)CC[N@H+]1CCOC ZINC000435872542 201293908 /nfs/dbraw/zinc/29/39/08/201293908.db2.gz PIJHNPLQJANHSF-CYBMUJFWSA-N 2 1 243.395 0.639 20 0 BCADMP C[N@H+]1CCCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000630387359 364102199 /nfs/dbraw/zinc/10/21/99/364102199.db2.gz NLKQAVHSUFRKAP-LLVKDONJSA-N 2 1 224.352 0.657 20 0 BCADMP CC[NH+](CC)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605481 364335430 /nfs/dbraw/zinc/33/54/30/364335430.db2.gz JGFAGDSTODWGED-LLVKDONJSA-N 2 1 237.351 0.872 20 0 BCADMP CC[NH+](CC)Cc1cn([C@H](C)C[NH3+])nn1 ZINC000630591781 364306265 /nfs/dbraw/zinc/30/62/65/364306265.db2.gz GNCRRPYLTRUADN-SECBINFHSA-N 2 1 211.313 0.640 20 0 BCADMP [NH3+]CC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000334865538 181364156 /nfs/dbraw/zinc/36/41/56/181364156.db2.gz UZIBMISSSIRYFD-MCIGGMRASA-N 3 1 211.353 0.846 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](CC)C(N)=O)C1 ZINC000245442199 364536012 /nfs/dbraw/zinc/53/60/12/364536012.db2.gz WCFKDCLJQNNMDY-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CN(C)C1(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000615184432 364612844 /nfs/dbraw/zinc/61/28/44/364612844.db2.gz HTEVNUADDAVBFZ-MNOVXSKESA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000615184432 364612848 /nfs/dbraw/zinc/61/28/48/364612848.db2.gz HTEVNUADDAVBFZ-MNOVXSKESA-N 2 1 237.347 0.243 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1nccs1 ZINC000566073555 364712940 /nfs/dbraw/zinc/71/29/40/364712940.db2.gz MKQSIAQDYZMXHE-LLVKDONJSA-N 2 1 243.376 0.588 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1nccs1 ZINC000566073555 364712943 /nfs/dbraw/zinc/71/29/43/364712943.db2.gz MKQSIAQDYZMXHE-LLVKDONJSA-N 2 1 243.376 0.588 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1nccs1 ZINC000566073566 364713402 /nfs/dbraw/zinc/71/34/02/364713402.db2.gz MKQSIAQDYZMXHE-NSHDSACASA-N 2 1 243.376 0.588 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1nccs1 ZINC000566073566 364713408 /nfs/dbraw/zinc/71/34/08/364713408.db2.gz MKQSIAQDYZMXHE-NSHDSACASA-N 2 1 243.376 0.588 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000167747359 364807424 /nfs/dbraw/zinc/80/74/24/364807424.db2.gz RRKUFHURKYMFPU-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000573503206 364850024 /nfs/dbraw/zinc/85/00/24/364850024.db2.gz KSEWIZYDDCTKCT-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000573503206 364850027 /nfs/dbraw/zinc/85/00/27/364850027.db2.gz KSEWIZYDDCTKCT-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000573368577 364811891 /nfs/dbraw/zinc/81/18/91/364811891.db2.gz NPVFCLNWHTZWQU-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000573584113 364868635 /nfs/dbraw/zinc/86/86/35/364868635.db2.gz VPEXGZUWAGNDDU-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1[NH3+] ZINC000328525606 364865528 /nfs/dbraw/zinc/86/55/28/364865528.db2.gz UAJRZGYJBNHKJC-RHYQMDGZSA-N 2 1 212.337 0.817 20 0 BCADMP [NH3+]CCCCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037826990 181374242 /nfs/dbraw/zinc/37/42/42/181374242.db2.gz WQDDNKKENHTGGM-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000154387242 541417483 /nfs/dbraw/zinc/41/74/83/541417483.db2.gz FAXPTYBCOPHMQV-WCQYABFASA-N 3 1 243.395 0.229 20 0 BCADMP CN(C)c1nc(N(C)[C@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000160215087 541429732 /nfs/dbraw/zinc/42/97/32/541429732.db2.gz AWUOAOXPGDNHJA-SNVBAGLBSA-N 2 1 235.335 0.716 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@H](O)CSC)CC1 ZINC000574444081 365061665 /nfs/dbraw/zinc/06/16/65/365061665.db2.gz UPWDUSHHIRMSPH-NSHDSACASA-N 2 1 232.393 0.784 20 0 BCADMP [NH3+]CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019933493 181391610 /nfs/dbraw/zinc/39/16/10/181391610.db2.gz RXPSWFWRVVQDCC-UHFFFAOYSA-N 2 1 237.322 0.902 20 0 BCADMP COC(=O)CC[N@@H+](CCC[NH3+])C[C@@H]1CCCO1 ZINC000574858846 365160049 /nfs/dbraw/zinc/16/00/49/365160049.db2.gz DCJRYYHPKMAPGN-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000574873421 365163562 /nfs/dbraw/zinc/16/35/62/365163562.db2.gz QTOZTPQYRMDMHK-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000574878673 365166411 /nfs/dbraw/zinc/16/64/11/365166411.db2.gz WDEKUURULKCRIE-OLZOCXBDSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)CC(F)(F)C[NH3+] ZINC000574766657 365140324 /nfs/dbraw/zinc/14/03/24/365140324.db2.gz VZQANHKQAUXHNY-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814160 365145866 /nfs/dbraw/zinc/14/58/66/365145866.db2.gz CBJPBOVODMKQRT-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814160 365145870 /nfs/dbraw/zinc/14/58/70/365145870.db2.gz CBJPBOVODMKQRT-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP [NH3+]Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)co1 ZINC000444177245 193039909 /nfs/dbraw/zinc/03/99/09/193039909.db2.gz UFHXEUZTTKSKRP-JTQLQIEISA-N 2 1 249.314 0.705 20 0 BCADMP C[N@@H+](CCNC(=O)c1coc(C[NH3+])c1)C1CC1 ZINC000444192178 193041186 /nfs/dbraw/zinc/04/11/86/193041186.db2.gz YFBSHGAULACCAW-UHFFFAOYSA-N 2 1 237.303 0.562 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000444266325 193043545 /nfs/dbraw/zinc/04/35/45/193043545.db2.gz DIBKBRWGGPKJFU-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444270441 193043821 /nfs/dbraw/zinc/04/38/21/193043821.db2.gz QQGFWJYNKZGCGK-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379786964 365270777 /nfs/dbraw/zinc/27/07/77/365270777.db2.gz IDXUOOLJPAYNDZ-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379786964 365270781 /nfs/dbraw/zinc/27/07/81/365270781.db2.gz IDXUOOLJPAYNDZ-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCO)C(C)C ZINC000379827336 365283422 /nfs/dbraw/zinc/28/34/22/365283422.db2.gz XJCPSIMZIFSAST-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)C(C)C ZINC000379827336 365283425 /nfs/dbraw/zinc/28/34/25/365283425.db2.gz XJCPSIMZIFSAST-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CCO)C(C)C ZINC000379827336 365283430 /nfs/dbraw/zinc/28/34/30/365283430.db2.gz XJCPSIMZIFSAST-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)C(C)C ZINC000379827336 365283437 /nfs/dbraw/zinc/28/34/37/365283437.db2.gz XJCPSIMZIFSAST-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C1C[NH2+]C1 ZINC000579593678 366897390 /nfs/dbraw/zinc/89/73/90/366897390.db2.gz DFDKQCROGCZHNQ-MWLCHTKSSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000579597161 366898879 /nfs/dbraw/zinc/89/88/79/366898879.db2.gz AVAFQZOLFYRKSM-BBBLOLIVSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@@]1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085023 541513559 /nfs/dbraw/zinc/51/35/59/541513559.db2.gz JWMVNTCQNAQVIO-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@@]1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085023 541513565 /nfs/dbraw/zinc/51/35/65/541513565.db2.gz JWMVNTCQNAQVIO-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP COCC[NH2+]C1CC[NH+]([C@H](C)COC)CC1 ZINC000565095569 325856849 /nfs/dbraw/zinc/85/68/49/325856849.db2.gz BGUNXKPEFWVFGC-LLVKDONJSA-N 2 1 230.352 0.722 20 0 BCADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000380971547 367326040 /nfs/dbraw/zinc/32/60/40/367326040.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 1 232.368 0.656 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000381362841 367387762 /nfs/dbraw/zinc/38/77/62/367387762.db2.gz FKLMBQMSAHWEDL-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000381362841 367387766 /nfs/dbraw/zinc/38/77/66/367387766.db2.gz FKLMBQMSAHWEDL-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000381438777 367404264 /nfs/dbraw/zinc/40/42/64/367404264.db2.gz YPLUTMYGKNYEDY-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000381438777 367404268 /nfs/dbraw/zinc/40/42/68/367404268.db2.gz YPLUTMYGKNYEDY-WOPDTQHZSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000381438765 367404281 /nfs/dbraw/zinc/40/42/81/367404281.db2.gz YPLUTMYGKNYEDY-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000381438765 367404283 /nfs/dbraw/zinc/40/42/83/367404283.db2.gz YPLUTMYGKNYEDY-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000565344285 325897950 /nfs/dbraw/zinc/89/79/50/325897950.db2.gz WZKFRANCBNQNMV-VXGBXAGGSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCOC1)C1CC1 ZINC000381245556 367370459 /nfs/dbraw/zinc/37/04/59/367370459.db2.gz NCIWFSKTSKEYHD-CMPLNLGQSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCOC1)C1CC1 ZINC000381245556 367370467 /nfs/dbraw/zinc/37/04/67/367370467.db2.gz NCIWFSKTSKEYHD-CMPLNLGQSA-N 2 1 228.336 0.210 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000382004110 367478477 /nfs/dbraw/zinc/47/84/77/367478477.db2.gz KLDCAWCQLZSUSX-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000581555520 367586917 /nfs/dbraw/zinc/58/69/17/367586917.db2.gz CMLYKZXVOMLSEW-QMMMGPOBSA-N 2 1 249.305 0.475 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000382977712 367578246 /nfs/dbraw/zinc/57/82/46/367578246.db2.gz SWCDEXBAGJMIPD-NSHDSACASA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382965266 367574971 /nfs/dbraw/zinc/57/49/71/367574971.db2.gz PUVXNAKOQUIRLR-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000383486955 367627422 /nfs/dbraw/zinc/62/74/22/367627422.db2.gz BSSCMGKQAMDIKM-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000383486955 367627428 /nfs/dbraw/zinc/62/74/28/367627428.db2.gz BSSCMGKQAMDIKM-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600683 367642917 /nfs/dbraw/zinc/64/29/17/367642917.db2.gz QCZWVLGCFBNUSA-OLZOCXBDSA-N 2 1 244.379 0.702 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600683 367642926 /nfs/dbraw/zinc/64/29/26/367642926.db2.gz QCZWVLGCFBNUSA-OLZOCXBDSA-N 2 1 244.379 0.702 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000581671776 367702023 /nfs/dbraw/zinc/70/20/23/367702023.db2.gz IECWLUPANKWCAV-LBPRGKRZSA-N 2 1 242.363 0.459 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000581671776 367702028 /nfs/dbraw/zinc/70/20/28/367702028.db2.gz IECWLUPANKWCAV-LBPRGKRZSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384798449 367734259 /nfs/dbraw/zinc/73/42/59/367734259.db2.gz BRLXGLNEDZBYAW-GHMZBOCLSA-N 2 1 225.336 0.195 20 0 BCADMP CC/C=C\C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384824345 367737191 /nfs/dbraw/zinc/73/71/91/367737191.db2.gz FVFLVSVHVBNTJW-QMAVJUDZSA-N 2 1 212.337 0.997 20 0 BCADMP CC/C=C\C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384824345 367737200 /nfs/dbraw/zinc/73/72/00/367737200.db2.gz FVFLVSVHVBNTJW-QMAVJUDZSA-N 2 1 212.337 0.997 20 0 BCADMP C[C@@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824323 367832534 /nfs/dbraw/zinc/83/25/34/367832534.db2.gz FZTCDCOJBNNTEV-VXGBXAGGSA-N 3 1 211.353 0.575 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCc1cccnc1)C1CC1 ZINC000386123812 367916201 /nfs/dbraw/zinc/91/62/01/367916201.db2.gz MXLXIYXSWWLCOE-CQSZACIVSA-N 2 1 249.358 0.669 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cccnc1)C1CC1 ZINC000386123812 367916206 /nfs/dbraw/zinc/91/62/06/367916206.db2.gz MXLXIYXSWWLCOE-CQSZACIVSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H](CCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386144200 367919893 /nfs/dbraw/zinc/91/98/93/367919893.db2.gz QWMDVSCRIZEQGF-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)O ZINC000581892183 367882488 /nfs/dbraw/zinc/88/24/88/367882488.db2.gz DNEDZGLMHBOKQL-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)O ZINC000581892183 367882491 /nfs/dbraw/zinc/88/24/91/367882491.db2.gz DNEDZGLMHBOKQL-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000581892183 367882493 /nfs/dbraw/zinc/88/24/93/367882493.db2.gz DNEDZGLMHBOKQL-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000581892183 367882494 /nfs/dbraw/zinc/88/24/94/367882494.db2.gz DNEDZGLMHBOKQL-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000566233420 326019761 /nfs/dbraw/zinc/01/97/61/326019761.db2.gz JPDRYCBIKYLHCM-QWHCGFSZSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386022004 367898788 /nfs/dbraw/zinc/89/87/88/367898788.db2.gz OVSFSHHCVITDHH-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386533422 367986654 /nfs/dbraw/zinc/98/66/54/367986654.db2.gz BBPWGTOLLKOWKM-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000566233421 326019951 /nfs/dbraw/zinc/01/99/51/326019951.db2.gz JPDRYCBIKYLHCM-STQMWFEESA-N 2 1 244.379 0.440 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000386377108 367958920 /nfs/dbraw/zinc/95/89/20/367958920.db2.gz QYZQPKFJWFDZSC-QWHCGFSZSA-N 2 1 244.379 0.440 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615619364 368124129 /nfs/dbraw/zinc/12/41/29/368124129.db2.gz NXWYOCMBPHIKNX-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000615505671 368080828 /nfs/dbraw/zinc/08/08/28/368080828.db2.gz SQXHXIQRKCYLRN-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCn1cccc1)C1CC1 ZINC000581998149 368101892 /nfs/dbraw/zinc/10/18/92/368101892.db2.gz XLVALHWPGBQKAW-ZDUSSCGKSA-N 2 1 237.347 0.533 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCn1cccc1)C1CC1 ZINC000581998149 368101895 /nfs/dbraw/zinc/10/18/95/368101895.db2.gz XLVALHWPGBQKAW-ZDUSSCGKSA-N 2 1 237.347 0.533 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000446369821 201684780 /nfs/dbraw/zinc/68/47/80/201684780.db2.gz OQVMXYUGNLLGJF-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081015485 368567389 /nfs/dbraw/zinc/56/73/89/368567389.db2.gz WJNBSZLJNHEZPT-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243850 203025825 /nfs/dbraw/zinc/02/58/25/203025825.db2.gz QFAYUCDZIDZHJW-MNOVXSKESA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)C1 ZINC000457128106 203010259 /nfs/dbraw/zinc/01/02/59/203010259.db2.gz SAAYVXKUUXSGRG-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)C1 ZINC000457128106 203010263 /nfs/dbraw/zinc/01/02/63/203010263.db2.gz SAAYVXKUUXSGRG-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)C)C1 ZINC000072860470 368782802 /nfs/dbraw/zinc/78/28/02/368782802.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000072860470 368782805 /nfs/dbraw/zinc/78/28/05/368782805.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000072860470 368782807 /nfs/dbraw/zinc/78/28/07/368782807.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000086270762 368877997 /nfs/dbraw/zinc/87/79/97/368877997.db2.gz DWYSSELZBUHJKG-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CCn1ncnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000083977177 368846737 /nfs/dbraw/zinc/84/67/37/368846737.db2.gz MPGHVKYPYOEDLU-UHFFFAOYSA-N 2 1 223.324 0.469 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000111163424 368851227 /nfs/dbraw/zinc/85/12/27/368851227.db2.gz SOOHBFZUVJQWPB-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC(C)(C)C[NH+](C)C ZINC000457851302 203111839 /nfs/dbraw/zinc/11/18/39/203111839.db2.gz UIEKDCIRTYXNHI-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP CN(CCc1c[nH+]cn1C)CC[NH+]1CCCC1 ZINC000459342317 203261759 /nfs/dbraw/zinc/26/17/59/203261759.db2.gz KNMHRJPBAZOYKG-UHFFFAOYSA-N 2 1 236.363 0.990 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000567702037 326248124 /nfs/dbraw/zinc/24/81/24/326248124.db2.gz RRYFPEJDJZOOKV-FRRDWIJNSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000567702037 326248127 /nfs/dbraw/zinc/24/81/27/326248127.db2.gz RRYFPEJDJZOOKV-FRRDWIJNSA-N 2 1 224.348 0.830 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000572586665 326251159 /nfs/dbraw/zinc/25/11/59/326251159.db2.gz CZRAKPKQQXXFSK-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP Cn1c[nH+]cc1CCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852546 369418455 /nfs/dbraw/zinc/41/84/55/369418455.db2.gz VAVAXZODOBOYTA-TXEJJXNPSA-N 2 1 234.347 0.789 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC000405427170 369459870 /nfs/dbraw/zinc/45/98/70/369459870.db2.gz HWZJCMGKDWSAPI-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@H](N)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860638 369470054 /nfs/dbraw/zinc/47/00/54/369470054.db2.gz METXSZUEZBNWDP-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860638 369470062 /nfs/dbraw/zinc/47/00/62/369470062.db2.gz METXSZUEZBNWDP-WOPDTQHZSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860638 369470067 /nfs/dbraw/zinc/47/00/67/369470067.db2.gz METXSZUEZBNWDP-WOPDTQHZSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC000631860638 369470070 /nfs/dbraw/zinc/47/00/70/369470070.db2.gz METXSZUEZBNWDP-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000459750599 203356183 /nfs/dbraw/zinc/35/61/83/203356183.db2.gz HUZBEPUHAXGNLF-QWHCGFSZSA-N 2 1 242.363 0.863 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000631862267 369486428 /nfs/dbraw/zinc/48/64/28/369486428.db2.gz NMCJLPGFWAYSFK-TUAOUCFPSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000631862267 369486432 /nfs/dbraw/zinc/48/64/32/369486432.db2.gz NMCJLPGFWAYSFK-TUAOUCFPSA-N 2 1 227.352 0.129 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165319634 203383062 /nfs/dbraw/zinc/38/30/62/203383062.db2.gz GIGLMGBJAUIDLG-VXGBXAGGSA-N 2 1 241.379 0.770 20 0 BCADMP C[N@@H+](C[C@H](O)CN1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789783 203371459 /nfs/dbraw/zinc/37/14/59/203371459.db2.gz FYILTHBEPJLBJV-SRVKXCTJSA-N 2 1 242.388 0.631 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000166145730 203388555 /nfs/dbraw/zinc/38/85/55/203388555.db2.gz YKQNCPOUCVIHFJ-SDDRHHMPSA-N 2 1 229.368 0.293 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000619899224 369629609 /nfs/dbraw/zinc/62/96/09/369629609.db2.gz PMCLXLPFFWPJSH-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000619899224 369629616 /nfs/dbraw/zinc/62/96/16/369629616.db2.gz PMCLXLPFFWPJSH-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000619899224 369629621 /nfs/dbraw/zinc/62/96/21/369629621.db2.gz PMCLXLPFFWPJSH-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000619900448 369631858 /nfs/dbraw/zinc/63/18/58/369631858.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000619900448 369631863 /nfs/dbraw/zinc/63/18/63/369631863.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000619900448 369631866 /nfs/dbraw/zinc/63/18/66/369631866.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1C[N@@H+](CCCC(=O)OC)CC[C@H]1[NH3+] ZINC000251905282 369980391 /nfs/dbraw/zinc/98/03/91/369980391.db2.gz XFVUEFFJHRIPDN-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697239 370117550 /nfs/dbraw/zinc/11/75/50/370117550.db2.gz GETTWJGLPJCIFQ-USZNOCQGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697239 370117554 /nfs/dbraw/zinc/11/75/54/370117554.db2.gz GETTWJGLPJCIFQ-USZNOCQGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252754841 370122425 /nfs/dbraw/zinc/12/24/25/370122425.db2.gz CZDZAXUTUMIHSB-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252754841 370122428 /nfs/dbraw/zinc/12/24/28/370122428.db2.gz CZDZAXUTUMIHSB-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252754842 370122716 /nfs/dbraw/zinc/12/27/16/370122716.db2.gz CZDZAXUTUMIHSB-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252754842 370122721 /nfs/dbraw/zinc/12/27/21/370122721.db2.gz CZDZAXUTUMIHSB-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621153018 370125289 /nfs/dbraw/zinc/12/52/89/370125289.db2.gz JCMKNOFKDFBWIR-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843652 370135733 /nfs/dbraw/zinc/13/57/33/370135733.db2.gz DFDJBXITIMRTCS-AVGNSLFASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309833359 370259320 /nfs/dbraw/zinc/25/93/20/370259320.db2.gz ZFPMKYQWZAJWRZ-QWRGUYRKSA-N 3 1 215.341 0.021 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000568275508 326339578 /nfs/dbraw/zinc/33/95/78/326339578.db2.gz YKNGXDSWSSDRDU-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CCn1nccc1CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000621774320 370520436 /nfs/dbraw/zinc/52/04/36/370520436.db2.gz QRKVASFLBJTMJZ-GFCCVEGCSA-N 2 1 236.363 0.987 20 0 BCADMP CCn1nccc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621775475 370522716 /nfs/dbraw/zinc/52/27/16/370522716.db2.gz PUFOXQBGLBEEET-TXEJJXNPSA-N 2 1 234.347 0.597 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2C[NH2+]CCO2)C(C)(C)C1 ZINC000621776754 370525368 /nfs/dbraw/zinc/52/53/68/370525368.db2.gz VQXWYTITPMDLPD-NSHDSACASA-N 2 1 227.352 0.001 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC000621782506 370532516 /nfs/dbraw/zinc/53/25/16/370532516.db2.gz PVTNDFCIIWNMTK-UTUOFQBUSA-N 2 1 210.321 0.836 20 0 BCADMP CN1CCC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784117 370535245 /nfs/dbraw/zinc/53/52/45/370535245.db2.gz KDDYWSMDCKJQEN-NTZNESFSSA-N 2 1 237.347 0.420 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784117 370535250 /nfs/dbraw/zinc/53/52/50/370535250.db2.gz KDDYWSMDCKJQEN-NTZNESFSSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)(C(=O)NCC[NH+]1CCC1)c1c[nH]cn1 ZINC000621928649 370604526 /nfs/dbraw/zinc/60/45/26/370604526.db2.gz JEGIIIOCTKJFHX-UHFFFAOYSA-N 2 1 236.319 0.509 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000622613121 371016076 /nfs/dbraw/zinc/01/60/76/371016076.db2.gz IFPBXFMAVCQDSZ-JTQLQIEISA-N 2 1 238.335 0.505 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2C)CC[N@H+]1C ZINC000624174261 371365677 /nfs/dbraw/zinc/36/56/77/371365677.db2.gz UVCCXYHPXAQQDR-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000624131805 371333851 /nfs/dbraw/zinc/33/38/51/371333851.db2.gz ZLSMRIMDKKTLFK-GWOFURMSSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000624131805 371333856 /nfs/dbraw/zinc/33/38/56/371333856.db2.gz ZLSMRIMDKKTLFK-GWOFURMSSA-N 2 1 225.336 0.323 20 0 BCADMP c1n[nH]cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000157022419 371516233 /nfs/dbraw/zinc/51/62/33/371516233.db2.gz MWKMLLOMUMAFRL-UHFFFAOYSA-N 2 1 208.309 0.985 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000627650983 371809434 /nfs/dbraw/zinc/80/94/34/371809434.db2.gz ZJABJFPMCSKLPQ-KXNHARMFSA-N 2 1 237.347 0.099 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000163597972 372016997 /nfs/dbraw/zinc/01/69/97/372016997.db2.gz MBMQXMKFMLPORV-NXEZZACHSA-N 2 1 245.392 0.277 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000171199287 372458947 /nfs/dbraw/zinc/45/89/47/372458947.db2.gz LOIVEFRBDAXZPQ-SNVBAGLBSA-N 2 1 215.341 0.395 20 0 BCADMP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000631674943 372501696 /nfs/dbraw/zinc/50/16/96/372501696.db2.gz ZWLYRDGQTOKHBD-KLPPZKSPSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000171399975 372569927 /nfs/dbraw/zinc/56/99/27/372569927.db2.gz LUQAMJMITZTKFG-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631821176 372594874 /nfs/dbraw/zinc/59/48/74/372594874.db2.gz QTKWWRYQZIJATL-TUAOUCFPSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631821176 372594877 /nfs/dbraw/zinc/59/48/77/372594877.db2.gz QTKWWRYQZIJATL-TUAOUCFPSA-N 2 1 249.362 0.967 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCc2ncnn21 ZINC000631822637 372599353 /nfs/dbraw/zinc/59/93/53/372599353.db2.gz JUWUDYZKNUQLHB-ZYHUDNBSSA-N 2 1 237.351 0.728 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827561 372607273 /nfs/dbraw/zinc/60/72/73/372607273.db2.gz QKJJMZPPDHETDZ-ZJUUUORDSA-N 2 1 237.351 0.728 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828749 372608739 /nfs/dbraw/zinc/60/87/39/372608739.db2.gz XIFPKEYTYRNZGT-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC000631830409 372613391 /nfs/dbraw/zinc/61/33/91/372613391.db2.gz RCQCHTWVJSBFIX-WZRBSPASSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000631830409 372613396 /nfs/dbraw/zinc/61/33/96/372613396.db2.gz RCQCHTWVJSBFIX-WZRBSPASSA-N 2 1 247.346 0.579 20 0 BCADMP CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631836777 372624943 /nfs/dbraw/zinc/62/49/43/372624943.db2.gz GQABFKPXGLKIEZ-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837291 372627337 /nfs/dbraw/zinc/62/73/37/372627337.db2.gz AAIDUHQJIJKGKS-MWLCHTKSSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631838588 372633120 /nfs/dbraw/zinc/63/31/20/372633120.db2.gz QURIGKCMBZXPFM-CHWSQXEVSA-N 2 1 241.379 0.235 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838596 372634320 /nfs/dbraw/zinc/63/43/20/372634320.db2.gz QYMTZHKKKOGMDU-NXEZZACHSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838596 372634322 /nfs/dbraw/zinc/63/43/22/372634322.db2.gz QYMTZHKKKOGMDU-NXEZZACHSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842214 372640128 /nfs/dbraw/zinc/64/01/28/372640128.db2.gz XANZPIANVOTJNS-GMTAPVOTSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000631843202 372641004 /nfs/dbraw/zinc/64/10/04/372641004.db2.gz KITHDGANFOFODR-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000631843202 372641007 /nfs/dbraw/zinc/64/10/07/372641007.db2.gz KITHDGANFOFODR-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP Cc1[nH+]ccn1CCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848749 372646183 /nfs/dbraw/zinc/64/61/83/372646183.db2.gz KFRPBGIGBAHOBI-RYUDHWBXSA-N 2 1 220.320 0.628 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824781 372603987 /nfs/dbraw/zinc/60/39/87/372603987.db2.gz QBDXSEYSPHXPBL-UTUOFQBUSA-N 2 1 249.362 0.825 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000042169444 182017726 /nfs/dbraw/zinc/01/77/26/182017726.db2.gz BXOHPQBETDFVMX-NWDGAFQWSA-N 2 1 237.347 0.435 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000042169442 182027688 /nfs/dbraw/zinc/02/76/88/182027688.db2.gz BXOHPQBETDFVMX-VXGBXAGGSA-N 2 1 237.347 0.435 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)CC[N@H+]1C ZINC000633068036 373283851 /nfs/dbraw/zinc/28/38/51/373283851.db2.gz ZFABIJDHXUQNGW-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000634301117 374128883 /nfs/dbraw/zinc/12/88/83/374128883.db2.gz XAYHULNCWHJQRU-IJLUTSLNSA-N 2 1 241.379 0.768 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300972 374129585 /nfs/dbraw/zinc/12/95/85/374129585.db2.gz SKAZMQHWCGXAQN-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC[NH3+])CC[N@H+]1C ZINC000634301106 374129602 /nfs/dbraw/zinc/12/96/02/374129602.db2.gz WTMHCLFSCBQPBN-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CCC[NH3+])CC[N@H+]1C ZINC000634300917 374129732 /nfs/dbraw/zinc/12/97/32/374129732.db2.gz PLJMEWJQUITFKY-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH2+][C@@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000634556792 374313396 /nfs/dbraw/zinc/31/33/96/374313396.db2.gz DTYSUIBVYHGRAR-SFYZADRCSA-N 2 1 212.297 0.891 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC000246678641 374285505 /nfs/dbraw/zinc/28/55/05/374285505.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424381698 206040120 /nfs/dbraw/zinc/04/01/20/206040120.db2.gz ZJWMAHZVEYAGRV-QJPTWQEYSA-N 2 1 229.368 0.600 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155884763 206071680 /nfs/dbraw/zinc/07/16/80/206071680.db2.gz YXTCKQAQXUHLQB-RYUDHWBXSA-N 2 1 230.352 0.722 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000044726675 182302966 /nfs/dbraw/zinc/30/29/66/182302966.db2.gz MNRZXWQSIHQOMO-KOLCDFICSA-N 2 1 223.320 0.091 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000250527338 182303905 /nfs/dbraw/zinc/30/39/05/182303905.db2.gz QHKNBDVDOOMGAJ-WOPDTQHZSA-N 2 1 237.347 0.481 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446268496 206090554 /nfs/dbraw/zinc/09/05/54/206090554.db2.gz DDYUHUDQSNAEBN-WDEREUQCSA-N 2 1 245.342 0.535 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000044726740 182334106 /nfs/dbraw/zinc/33/41/06/182334106.db2.gz VGGFKDOFYXBXAQ-CMPLNLGQSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726736 182334922 /nfs/dbraw/zinc/33/49/22/182334922.db2.gz LAFKLUBSYFAUAH-MNOVXSKESA-N 2 1 237.347 0.339 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000167203264 206145967 /nfs/dbraw/zinc/14/59/67/206145967.db2.gz LOYCXKUTAMPEHW-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747688 134310993 /nfs/dbraw/zinc/31/09/93/134310993.db2.gz ZVWQOISAAQRFTK-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP OCCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418582 183082473 /nfs/dbraw/zinc/08/24/73/183082473.db2.gz WYEFZKMYSGHMFL-OLZOCXBDSA-N 2 1 242.363 0.602 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000356888862 169068147 /nfs/dbraw/zinc/06/81/47/169068147.db2.gz UZLHTDRCGHBLDC-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000356888862 169068149 /nfs/dbraw/zinc/06/81/49/169068149.db2.gz UZLHTDRCGHBLDC-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356888862 169068151 /nfs/dbraw/zinc/06/81/51/169068151.db2.gz UZLHTDRCGHBLDC-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356888862 169068152 /nfs/dbraw/zinc/06/81/52/169068152.db2.gz UZLHTDRCGHBLDC-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C ZINC000346217972 169068675 /nfs/dbraw/zinc/06/86/75/169068675.db2.gz IGBPVOBKXIXKHV-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C ZINC000346217972 169068678 /nfs/dbraw/zinc/06/86/78/169068678.db2.gz IGBPVOBKXIXKHV-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000346217972 169068681 /nfs/dbraw/zinc/06/86/81/169068681.db2.gz IGBPVOBKXIXKHV-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000346217972 169068683 /nfs/dbraw/zinc/06/86/83/169068683.db2.gz IGBPVOBKXIXKHV-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353383230 169069041 /nfs/dbraw/zinc/06/90/41/169069041.db2.gz IVVGOGWKCZXQPM-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000355601601 169074069 /nfs/dbraw/zinc/07/40/69/169074069.db2.gz ZRWNNUZSTJLNOY-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000336684556 169075343 /nfs/dbraw/zinc/07/53/43/169075343.db2.gz SUDHFCSLBZKAEY-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000358600298 169064975 /nfs/dbraw/zinc/06/49/75/169064975.db2.gz OGBCJEKVBPKBAM-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CC1 ZINC000354075445 169065977 /nfs/dbraw/zinc/06/59/77/169065977.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000354075445 169065979 /nfs/dbraw/zinc/06/59/79/169065979.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000354075445 169065982 /nfs/dbraw/zinc/06/59/82/169065982.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP O[C@H](C[NH2+]Cc1cc[nH]c1)C[NH+]1CCCC1 ZINC000086251639 183224448 /nfs/dbraw/zinc/22/44/48/183224448.db2.gz XMBDZJOTAVLBFH-GFCCVEGCSA-N 2 1 223.320 0.561 20 0 BCADMP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340290092 183209583 /nfs/dbraw/zinc/20/95/83/183209583.db2.gz NQTDKWSSWPMCGQ-FRRDWIJNSA-N 2 1 240.347 0.164 20 0 BCADMP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340290092 183209586 /nfs/dbraw/zinc/20/95/86/183209586.db2.gz NQTDKWSSWPMCGQ-FRRDWIJNSA-N 2 1 240.347 0.164 20 0 BCADMP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415289 183251899 /nfs/dbraw/zinc/25/18/99/183251899.db2.gz VCUGZOOXABFCSJ-AVGNSLFASA-N 2 1 240.347 0.354 20 0 BCADMP CCC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000037482567 169158911 /nfs/dbraw/zinc/15/89/11/169158911.db2.gz NDEAUBGWPFDJII-UHFFFAOYSA-N 2 1 211.353 0.766 20 0 BCADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654313 169194543 /nfs/dbraw/zinc/19/45/43/169194543.db2.gz MASLLOMBTVDVOW-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250391349 169220877 /nfs/dbraw/zinc/22/08/77/169220877.db2.gz HOCFGBUJMJYYEL-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250391349 169220879 /nfs/dbraw/zinc/22/08/79/169220879.db2.gz HOCFGBUJMJYYEL-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074298 169246489 /nfs/dbraw/zinc/24/64/89/169246489.db2.gz KJOIJGQWUCKJRC-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336644479 169369778 /nfs/dbraw/zinc/36/97/78/169369778.db2.gz AMIXHBSHCXCMDO-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336644479 169369779 /nfs/dbraw/zinc/36/97/79/169369779.db2.gz AMIXHBSHCXCMDO-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221160603 134317325 /nfs/dbraw/zinc/31/73/25/134317325.db2.gz RUDVGMSMCUJOQG-NWDGAFQWSA-N 2 1 241.379 0.819 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724095 383840902 /nfs/dbraw/zinc/84/09/02/383840902.db2.gz MCIHDRVYIHVLPG-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)(O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724389 383841371 /nfs/dbraw/zinc/84/13/71/383841371.db2.gz PQFYKOVYPUPHIQ-JTQLQIEISA-N 2 1 200.326 0.818 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724098 383842511 /nfs/dbraw/zinc/84/25/11/383842511.db2.gz MCIHDRVYIHVLPG-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCc1cccnc1 ZINC000301051342 383881642 /nfs/dbraw/zinc/88/16/42/383881642.db2.gz UGVSQOCWTJVWFU-UHFFFAOYSA-N 2 1 223.320 0.531 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840202 383849245 /nfs/dbraw/zinc/84/92/45/383849245.db2.gz UDJSVDLEWAAHRP-JTQLQIEISA-N 2 1 215.341 0.570 20 0 BCADMP O=C(C1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812576 383863286 /nfs/dbraw/zinc/86/32/86/383863286.db2.gz GQIMEQAUJLHCFL-LBPRGKRZSA-N 2 1 237.347 0.293 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827038 383865511 /nfs/dbraw/zinc/86/55/11/383865511.db2.gz UPXPTVRAZZUICW-CYBMUJFWSA-N 2 1 239.363 0.811 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@H]([NH3+])C1 ZINC000401745106 383900671 /nfs/dbraw/zinc/90/06/71/383900671.db2.gz ULGJTTUCDPPEFZ-SNVBAGLBSA-N 2 1 208.309 0.386 20 0 BCADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000643542292 383959689 /nfs/dbraw/zinc/95/96/89/383959689.db2.gz YRAUPFOTBVKHOO-QWHCGFSZSA-N 2 1 225.380 0.914 20 0 BCADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C2CC2)CC1 ZINC000335876417 384050427 /nfs/dbraw/zinc/05/04/27/384050427.db2.gz VNZWNSYIUZSUCS-TZMCWYRMSA-N 2 1 249.358 0.293 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000648129665 384088302 /nfs/dbraw/zinc/08/83/02/384088302.db2.gz TYBXXUIDYFLPMZ-ZJUUUORDSA-N 2 1 238.335 0.860 20 0 BCADMP C[N@@H+](CCNC(=O)C(C)(C)[NH3+])Cc1ccccc1 ZINC000077429279 384069436 /nfs/dbraw/zinc/06/94/36/384069436.db2.gz DNCWXXUNILZPCP-UHFFFAOYSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CCCC[NH3+])C[N@H+]1C1CC1 ZINC000572600401 384081970 /nfs/dbraw/zinc/08/19/70/384081970.db2.gz SLJCYOSURSOSDR-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646883413 384105939 /nfs/dbraw/zinc/10/59/39/384105939.db2.gz AANKYBZTJYINLZ-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000358737933 384116733 /nfs/dbraw/zinc/11/67/33/384116733.db2.gz ALJDNDNTZFBVOP-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1C ZINC000070797703 384137772 /nfs/dbraw/zinc/13/77/72/384137772.db2.gz KPKHSRAZHQMNEU-UHFFFAOYSA-N 2 1 219.292 0.715 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302355546 384147559 /nfs/dbraw/zinc/14/75/59/384147559.db2.gz KMTHFQXLKPDDJC-LLVKDONJSA-N 2 1 245.367 0.150 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302349988 384149238 /nfs/dbraw/zinc/14/92/38/384149238.db2.gz JZNAGGFJCNNQTA-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237400548 384171966 /nfs/dbraw/zinc/17/19/66/384171966.db2.gz XZJXJPHWHVAZMN-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000132429303 384230737 /nfs/dbraw/zinc/23/07/37/384230737.db2.gz AYLCNYJPVZIGDS-STQMWFEESA-N 2 1 247.342 0.849 20 0 BCADMP C[N@H+](Cc1cccc(C(N)=O)c1)C1CC[NH2+]CC1 ZINC000036300734 384235407 /nfs/dbraw/zinc/23/54/07/384235407.db2.gz VLUKYHDCVHECMB-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC[NH2+]CC1 ZINC000036300734 384235410 /nfs/dbraw/zinc/23/54/10/384235410.db2.gz VLUKYHDCVHECMB-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP COC(=O)CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627119 134399713 /nfs/dbraw/zinc/39/97/13/134399713.db2.gz JVJAXLCSKYHJNR-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000133085771 384226801 /nfs/dbraw/zinc/22/68/01/384226801.db2.gz CHHPPCFPGYWOHV-JTQLQIEISA-N 2 1 218.366 0.789 20 0 BCADMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000082432943 384227462 /nfs/dbraw/zinc/22/74/62/384227462.db2.gz JZVWCANOQKQXDX-RYUDHWBXSA-N 2 1 210.321 0.849 20 0 BCADMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000082432943 384227465 /nfs/dbraw/zinc/22/74/65/384227465.db2.gz JZVWCANOQKQXDX-RYUDHWBXSA-N 2 1 210.321 0.849 20 0 BCADMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000082432941 384228637 /nfs/dbraw/zinc/22/86/37/384228637.db2.gz JZVWCANOQKQXDX-NWDGAFQWSA-N 2 1 210.321 0.849 20 0 BCADMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000082432941 384228643 /nfs/dbraw/zinc/22/86/43/384228643.db2.gz JZVWCANOQKQXDX-NWDGAFQWSA-N 2 1 210.321 0.849 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000069626432 384247531 /nfs/dbraw/zinc/24/75/31/384247531.db2.gz WGXYBAVTDKSWDF-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H](C(=O)NCC[NH+]1CCSCC1)[C@H](C)[NH3+] ZINC000235482911 384250110 /nfs/dbraw/zinc/25/01/10/384250110.db2.gz NRLUTOWTMYNUHX-ZJUUUORDSA-N 2 1 245.392 0.135 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000082645531 384252541 /nfs/dbraw/zinc/25/25/41/384252541.db2.gz JJWSVRZDWBYTOT-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082645531 384252546 /nfs/dbraw/zinc/25/25/46/384252546.db2.gz JJWSVRZDWBYTOT-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC[NH2+]CC1CC[NH+](CC(=O)OC)CC1 ZINC000082645685 384253914 /nfs/dbraw/zinc/25/39/14/384253914.db2.gz PYSMXHBPAMQMBY-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000228472479 384257609 /nfs/dbraw/zinc/25/76/09/384257609.db2.gz BMIGAZJTNRHFAK-MVWJERBFSA-N 2 1 237.347 0.324 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471727 384258515 /nfs/dbraw/zinc/25/85/15/384258515.db2.gz YTGAIPBPUWUIBE-CYZMBNFOSA-N 2 1 234.347 0.979 20 0 BCADMP CCSCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313334441 384267020 /nfs/dbraw/zinc/26/70/20/384267020.db2.gz GMNGCCBONSAJFO-SNVBAGLBSA-N 2 1 218.366 0.789 20 0 BCADMP [NH3+]CCCCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000569574404 384267543 /nfs/dbraw/zinc/26/75/43/384267543.db2.gz BHUSAIIOEGDWIR-MRVPVSSYSA-N 2 1 235.278 0.086 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401933847 384314089 /nfs/dbraw/zinc/31/40/89/384314089.db2.gz YXFGIMFCJZDVAQ-KOLCDFICSA-N 2 1 209.293 0.959 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507244 384314577 /nfs/dbraw/zinc/31/45/77/384314577.db2.gz MHKVOUOOVQLBRA-ZYHUDNBSSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507244 384314586 /nfs/dbraw/zinc/31/45/86/384314586.db2.gz MHKVOUOOVQLBRA-ZYHUDNBSSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227922 384317501 /nfs/dbraw/zinc/31/75/01/384317501.db2.gz MUVQWKHGZBZUAE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227922 384317505 /nfs/dbraw/zinc/31/75/05/384317505.db2.gz MUVQWKHGZBZUAE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000173913610 384284596 /nfs/dbraw/zinc/28/45/96/384284596.db2.gz ILFKHOGIQBLRGP-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000173913610 384284599 /nfs/dbraw/zinc/28/45/99/384284599.db2.gz ILFKHOGIQBLRGP-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000173913610 384284601 /nfs/dbraw/zinc/28/46/01/384284601.db2.gz ILFKHOGIQBLRGP-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000173913610 384284606 /nfs/dbraw/zinc/28/46/06/384284606.db2.gz ILFKHOGIQBLRGP-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336633831 384284928 /nfs/dbraw/zinc/28/49/28/384284928.db2.gz ULGWJOJYYIVYIV-DTWKUNHWSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294448 384351449 /nfs/dbraw/zinc/35/14/49/384351449.db2.gz QLLQRKGMXHVZMR-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)F)CC[N@@H+]1C ZINC000300356848 384358427 /nfs/dbraw/zinc/35/84/27/384358427.db2.gz QTAOUXHXEGRUKT-HLTSFMKQSA-N 2 1 222.279 0.685 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)F)CC[N@H+]1C ZINC000300356848 384358430 /nfs/dbraw/zinc/35/84/30/384358430.db2.gz QTAOUXHXEGRUKT-HLTSFMKQSA-N 2 1 222.279 0.685 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000188158043 384366055 /nfs/dbraw/zinc/36/60/55/384366055.db2.gz FCCZZCOBKBHGOU-UHFFFAOYSA-N 2 1 239.319 0.808 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248597464 384407275 /nfs/dbraw/zinc/40/72/75/384407275.db2.gz IJORVWYXHBXQSA-QJPTWQEYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644689 384418749 /nfs/dbraw/zinc/41/87/49/384418749.db2.gz XQBUICQYOXCWRF-HBIQZDMRSA-N 3 1 211.353 0.986 20 0 BCADMP CN(C)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000560954298 384419040 /nfs/dbraw/zinc/41/90/40/384419040.db2.gz MEFLUBRCQVTJKG-GFCCVEGCSA-N 2 1 249.362 0.774 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248851281 384380712 /nfs/dbraw/zinc/38/07/12/384380712.db2.gz JIINUHQGBYVVOU-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000568182543 384464807 /nfs/dbraw/zinc/46/48/07/384464807.db2.gz SIEWCHINXUGJPF-RWMBFGLXSA-N 2 1 246.395 0.686 20 0 BCADMP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000568182543 384464813 /nfs/dbraw/zinc/46/48/13/384464813.db2.gz SIEWCHINXUGJPF-RWMBFGLXSA-N 2 1 246.395 0.686 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000249066461 384476464 /nfs/dbraw/zinc/47/64/64/384476464.db2.gz PVVVFTPTJWVCBN-SRVKXCTJSA-N 2 1 241.379 0.770 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](F)C1)C1CC1 ZINC000518759969 384479330 /nfs/dbraw/zinc/47/93/30/384479330.db2.gz GEDXINKVDYOEQV-JFGNBEQYSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](F)C1)C1CC1 ZINC000518759969 384479337 /nfs/dbraw/zinc/47/93/37/384479337.db2.gz GEDXINKVDYOEQV-JFGNBEQYSA-N 2 1 230.327 0.922 20 0 BCADMP CC[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000647517968 384495812 /nfs/dbraw/zinc/49/58/12/384495812.db2.gz XXRTYMAEKFIGBD-LLVKDONJSA-N 2 1 230.352 0.194 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150819029 384509599 /nfs/dbraw/zinc/50/95/99/384509599.db2.gz PZLCKWDUXYBABS-LBPRGKRZSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150819029 384509600 /nfs/dbraw/zinc/50/96/00/384509600.db2.gz PZLCKWDUXYBABS-LBPRGKRZSA-N 2 1 240.347 0.967 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000648177051 384518526 /nfs/dbraw/zinc/51/85/26/384518526.db2.gz ZHNCSWBPFNHRMB-ZYHUDNBSSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000648177050 384520742 /nfs/dbraw/zinc/52/07/42/384520742.db2.gz ZHNCSWBPFNHRMB-PWSUYJOCSA-N 2 1 248.330 0.292 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CO)CCC1)C1CC1 ZINC000647523505 384555554 /nfs/dbraw/zinc/55/55/54/384555554.db2.gz RQHOOJHONNEOLM-GFCCVEGCSA-N 2 1 242.363 0.194 20 0 BCADMP COCC[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566120032 384538051 /nfs/dbraw/zinc/53/80/51/384538051.db2.gz FBOHVUNWFBYTGV-AAEUAGOBSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566120032 384538053 /nfs/dbraw/zinc/53/80/53/384538053.db2.gz FBOHVUNWFBYTGV-AAEUAGOBSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236647756 384539745 /nfs/dbraw/zinc/53/97/45/384539745.db2.gz PPYVAUPXZKMOTR-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC000309746375 384580415 /nfs/dbraw/zinc/58/04/15/384580415.db2.gz FRDLVZYGQVJFNL-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000309746375 384580421 /nfs/dbraw/zinc/58/04/21/384580421.db2.gz FRDLVZYGQVJFNL-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP CN1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000081554143 384622481 /nfs/dbraw/zinc/62/24/81/384622481.db2.gz YHNGBNKFWFZJRF-UHFFFAOYSA-N 2 1 224.304 0.956 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000336649349 384594404 /nfs/dbraw/zinc/59/44/04/384594404.db2.gz GVBPWFTWZZYKEI-QMMMGPOBSA-N 2 1 235.278 0.179 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534046 384646157 /nfs/dbraw/zinc/64/61/57/384646157.db2.gz FKTPYXXGBGFUMF-OLZOCXBDSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534046 384646158 /nfs/dbraw/zinc/64/61/58/384646158.db2.gz FKTPYXXGBGFUMF-OLZOCXBDSA-N 3 1 223.364 0.670 20 0 BCADMP NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564833 384683427 /nfs/dbraw/zinc/68/34/27/384683427.db2.gz VLPOWHDFERRLOT-ZJUUUORDSA-N 2 1 211.309 0.078 20 0 BCADMP NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564833 384683430 /nfs/dbraw/zinc/68/34/30/384683430.db2.gz VLPOWHDFERRLOT-ZJUUUORDSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000104418512 384686021 /nfs/dbraw/zinc/68/60/21/384686021.db2.gz URIOUKOATVGBCE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000104418512 384686026 /nfs/dbraw/zinc/68/60/26/384686026.db2.gz URIOUKOATVGBCE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000449603443 384687803 /nfs/dbraw/zinc/68/78/03/384687803.db2.gz QUGQRAXEWMLJDR-VLEAKVRGSA-N 2 1 227.352 0.711 20 0 BCADMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCOC1 ZINC000359427361 384726707 /nfs/dbraw/zinc/72/67/07/384726707.db2.gz PGRYPESBZFOEHF-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000236872230 384715560 /nfs/dbraw/zinc/71/55/60/384715560.db2.gz FXLWEVIRAGQZST-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP COC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000234732653 384777934 /nfs/dbraw/zinc/77/79/34/384777934.db2.gz TZICYMQKDWIJCY-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP C([NH2+]C[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000647546439 384729833 /nfs/dbraw/zinc/72/98/33/384729833.db2.gz KHCDHFUHAHOZIH-GFCCVEGCSA-N 3 1 211.353 0.718 20 0 BCADMP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546419 384730038 /nfs/dbraw/zinc/73/00/38/384730038.db2.gz JLEPFRWRSXTKPY-RVMXOQNASA-N 2 1 223.364 0.716 20 0 BCADMP CC(C)(N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546689 384733712 /nfs/dbraw/zinc/73/37/12/384733712.db2.gz VWSUORALJTVHJC-HBNTYKKESA-N 2 1 211.353 0.701 20 0 BCADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000647546988 384736369 /nfs/dbraw/zinc/73/63/69/384736369.db2.gz JLOBRQRQYKPOTH-VXGBXAGGSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547259 384736922 /nfs/dbraw/zinc/73/69/22/384736922.db2.gz TTZYRYSQRVKGMJ-RYUDHWBXSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547261 384737241 /nfs/dbraw/zinc/73/72/41/384737241.db2.gz TTZYRYSQRVKGMJ-VXGBXAGGSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000647549745 384748509 /nfs/dbraw/zinc/74/85/09/384748509.db2.gz OUBAXFKOCVEHIR-HBNTYKKESA-N 2 1 223.324 0.254 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156237 384749253 /nfs/dbraw/zinc/74/92/53/384749253.db2.gz KRSBHHPZMUYQFU-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C1[C@H](N[C@@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547874 384749794 /nfs/dbraw/zinc/74/97/94/384749794.db2.gz JURPRBZPELXCIE-MNOVXSKESA-N 2 1 209.337 0.470 20 0 BCADMP C[C@@H]1CNC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547834 384751363 /nfs/dbraw/zinc/75/13/63/384751363.db2.gz HBXXTVMZOUHAJD-SRVKXCTJSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547834 384751369 /nfs/dbraw/zinc/75/13/69/384751369.db2.gz HBXXTVMZOUHAJD-SRVKXCTJSA-N 3 1 223.364 0.716 20 0 BCADMP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647550954 384765100 /nfs/dbraw/zinc/76/51/00/384765100.db2.gz QEGLEJSYJDZSAU-QWRGUYRKSA-N 2 1 248.392 0.399 20 0 BCADMP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000647550953 384765672 /nfs/dbraw/zinc/76/56/72/384765672.db2.gz QEGLEJSYJDZSAU-MNOVXSKESA-N 2 1 248.392 0.399 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000054132951 384823304 /nfs/dbraw/zinc/82/33/04/384823304.db2.gz ZCKUFTKYWKYARO-ZDUSSCGKSA-N 2 1 249.358 0.624 20 0 BCADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]C1 ZINC000335057581 384787935 /nfs/dbraw/zinc/78/79/35/384787935.db2.gz ITNHPRIXWLTERH-QWRGUYRKSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648191165 384805860 /nfs/dbraw/zinc/80/58/60/384805860.db2.gz YIJSAHUOSVIUBU-LMLFDSFASA-N 2 1 227.352 0.569 20 0 BCADMP CC[C@@H](C[NH2+][C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040017 384809719 /nfs/dbraw/zinc/80/97/19/384809719.db2.gz XNJFFPVEXGARQC-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361487038 384810528 /nfs/dbraw/zinc/81/05/28/384810528.db2.gz UANNNHDFMIUJHV-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP COc1ncncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000647199238 384875196 /nfs/dbraw/zinc/87/51/96/384875196.db2.gz UCZRGFJZGRJFBJ-UHFFFAOYSA-N 2 1 248.330 0.837 20 0 BCADMP COc1ncncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000647199238 384875206 /nfs/dbraw/zinc/87/52/06/384875206.db2.gz UCZRGFJZGRJFBJ-UHFFFAOYSA-N 2 1 248.330 0.837 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844770 /nfs/dbraw/zinc/84/47/70/384844770.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844771 /nfs/dbraw/zinc/84/47/71/384844771.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844772 /nfs/dbraw/zinc/84/47/72/384844772.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844773 /nfs/dbraw/zinc/84/47/73/384844773.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP COCCCC[N@@H+](C)CCOCC[NH3+] ZINC000301051034 384853843 /nfs/dbraw/zinc/85/38/43/384853843.db2.gz TWRGTMXMTSKNPK-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548011 384949740 /nfs/dbraw/zinc/94/97/40/384949740.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CN[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000644548011 384949746 /nfs/dbraw/zinc/94/97/46/384949746.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CN[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000644548011 384949752 /nfs/dbraw/zinc/94/97/52/384949752.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@@H+](C)C(C)C ZINC000101953322 384899700 /nfs/dbraw/zinc/89/97/00/384899700.db2.gz FNCNKQABYNUATO-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP c1[nH]nc2c1cccc2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568486807 384901272 /nfs/dbraw/zinc/90/12/72/384901272.db2.gz ARDUTWSEOORNRT-PJXYFTJBSA-N 2 1 228.299 0.870 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000647603345 384921756 /nfs/dbraw/zinc/92/17/56/384921756.db2.gz RJVYJMIPTYSGHN-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000257744929 384924274 /nfs/dbraw/zinc/92/42/74/384924274.db2.gz DQVWIRSTXWFLEH-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(N)=O)C1 ZINC000644522029 384927216 /nfs/dbraw/zinc/92/72/16/384927216.db2.gz UBMWRCFJYHIUBW-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCSCC1 ZINC000128846693 384966528 /nfs/dbraw/zinc/96/65/28/384966528.db2.gz XTYBCIZWBUKHTK-JTQLQIEISA-N 2 1 218.366 0.394 20 0 BCADMP C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000644563542 384968591 /nfs/dbraw/zinc/96/85/91/384968591.db2.gz VIGFNNANCVKZOF-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226399606 385007765 /nfs/dbraw/zinc/00/77/65/385007765.db2.gz XOAAQPXVQOIIHW-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397566 385009363 /nfs/dbraw/zinc/00/93/63/385009363.db2.gz OSYZMYDNTGPFOO-CYBMUJFWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000226396379 385009466 /nfs/dbraw/zinc/00/94/66/385009466.db2.gz CFQIDHJPZBCMSV-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP COC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304652267 385015742 /nfs/dbraw/zinc/01/57/42/385015742.db2.gz YMRPGZHHAISFQX-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP CO[C@@]1(C[NH2+]C2CC[NH+](C)CC2)CCOC1 ZINC000156905847 385019531 /nfs/dbraw/zinc/01/95/31/385019531.db2.gz DAOJXNXLUDDAKA-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404759378 385051530 /nfs/dbraw/zinc/05/15/30/385051530.db2.gz BGPFNZCWDXBBBS-DCAQKATOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000647640471 385065905 /nfs/dbraw/zinc/06/59/05/385065905.db2.gz LSXRBVUXAQYTKV-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000644665535 385069302 /nfs/dbraw/zinc/06/93/02/385069302.db2.gz FPKNZENCLIKIPZ-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646941366 385069410 /nfs/dbraw/zinc/06/94/10/385069410.db2.gz YMXAJBGGFIXGSS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+](CCOc1ccccc1F)C[C@H](O)C[NH3+] ZINC000310472716 385084770 /nfs/dbraw/zinc/08/47/70/385084770.db2.gz JAZZSXSLAIDUFD-SNVBAGLBSA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1ccccc1F)C[C@H](O)C[NH3+] ZINC000310472716 385084777 /nfs/dbraw/zinc/08/47/77/385084777.db2.gz JAZZSXSLAIDUFD-SNVBAGLBSA-N 2 1 242.294 0.456 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646931296 385075072 /nfs/dbraw/zinc/07/50/72/385075072.db2.gz ZXTORLXLPOOHKL-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646931296 385075080 /nfs/dbraw/zinc/07/50/80/385075080.db2.gz ZXTORLXLPOOHKL-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646931296 385075085 /nfs/dbraw/zinc/07/50/85/385075085.db2.gz ZXTORLXLPOOHKL-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H](C(=O)NCc1nccn1C)[NH+]1CC(C)C1 ZINC000557594373 385030280 /nfs/dbraw/zinc/03/02/80/385030280.db2.gz BHNCXROFDNEXAH-SNVBAGLBSA-N 2 1 236.319 0.377 20 0 BCADMP CC[N@@H+](CCN)CCCc1cncn1C ZINC000314936703 385123798 /nfs/dbraw/zinc/12/37/98/385123798.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 2 1 210.325 0.633 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157266142 385129112 /nfs/dbraw/zinc/12/91/12/385129112.db2.gz OKLPOLJOSDOFNG-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000566246097 385135456 /nfs/dbraw/zinc/13/54/56/385135456.db2.gz FAROVAAAKHUURM-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000566246097 385135461 /nfs/dbraw/zinc/13/54/61/385135461.db2.gz FAROVAAAKHUURM-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246434 385137496 /nfs/dbraw/zinc/13/74/96/385137496.db2.gz ZYTPYHDDSHWDSH-JHJVBQTASA-N 2 1 241.379 0.376 20 0 BCADMP Cn1nccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404830571 385096694 /nfs/dbraw/zinc/09/66/94/385096694.db2.gz IDWMFJVXEMXTCE-NXEZZACHSA-N 2 1 208.309 0.636 20 0 BCADMP C[C@H](C[NH2+]Cc1cnn(C)c1)C[NH+](C)C ZINC000308814134 385181509 /nfs/dbraw/zinc/18/15/09/385181509.db2.gz AMUMCBQCWGJZHK-SNVBAGLBSA-N 2 1 210.325 0.707 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000647022099 385152867 /nfs/dbraw/zinc/15/28/67/385152867.db2.gz XJQMNUHRLBBYRC-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404901347 385154420 /nfs/dbraw/zinc/15/44/20/385154420.db2.gz QDQQACJODQRRIK-DTWKUNHWSA-N 2 1 213.325 0.226 20 0 BCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000336357286 385164129 /nfs/dbraw/zinc/16/41/29/385164129.db2.gz YLNDTNQTATUXGY-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246487216 385171045 /nfs/dbraw/zinc/17/10/45/385171045.db2.gz XBJDOLQEDCXNHU-TUAOUCFPSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000252712007 385212595 /nfs/dbraw/zinc/21/25/95/385212595.db2.gz LFXSVXRBGWYPFQ-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647068261 385213203 /nfs/dbraw/zinc/21/32/03/385213203.db2.gz AEVCVTQSBFHHNA-LPEHRKFASA-N 2 1 213.325 0.323 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000647069152 385215651 /nfs/dbraw/zinc/21/56/51/385215651.db2.gz SROOQGARGCTVQH-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658171 385224319 /nfs/dbraw/zinc/22/43/19/385224319.db2.gz WQBHCZYUYOJEBX-QWRGUYRKSA-N 2 1 227.352 0.381 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157641688 385238875 /nfs/dbraw/zinc/23/88/75/385238875.db2.gz DOHIBUUHHBWMCR-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124535 385240901 /nfs/dbraw/zinc/24/09/01/385240901.db2.gz SJMYKKQYBBYCML-WISYIIOYSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000259321755 385242308 /nfs/dbraw/zinc/24/23/08/385242308.db2.gz XEYWCNUWCVWWBF-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+](Cc1ncc[nH]1)CC1CC[NH2+]CC1 ZINC000308877672 385242699 /nfs/dbraw/zinc/24/26/99/385242699.db2.gz BZTUCIMCEKSTSX-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000308894946 385247752 /nfs/dbraw/zinc/24/77/52/385247752.db2.gz IQPVCOGPOGLNBI-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000308894946 385247754 /nfs/dbraw/zinc/24/77/54/385247754.db2.gz IQPVCOGPOGLNBI-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647648899 385251042 /nfs/dbraw/zinc/25/10/42/385251042.db2.gz XGXTXIIZIBAUBE-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000237031770 385252535 /nfs/dbraw/zinc/25/25/35/385252535.db2.gz XUQFJVYOOIKXHC-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000157964416 385315696 /nfs/dbraw/zinc/31/56/96/385315696.db2.gz CQJYZBHHVPYHDE-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178512808 385293142 /nfs/dbraw/zinc/29/31/42/385293142.db2.gz QWEUZROERBYIPV-PWSUYJOCSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164994314 385334385 /nfs/dbraw/zinc/33/43/85/385334385.db2.gz PYPCRECCRQFSHS-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992838 385334687 /nfs/dbraw/zinc/33/46/87/385334687.db2.gz LOYCBHSIBXVSMP-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006171 385335275 /nfs/dbraw/zinc/33/52/75/385335275.db2.gz HFQWTYUXEVUUAH-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC12CCC2 ZINC000309045208 385389418 /nfs/dbraw/zinc/38/94/18/385389418.db2.gz OBPOTXRNBKJUBJ-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP COCCCC[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000397461369 385356519 /nfs/dbraw/zinc/35/65/19/385356519.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP COCCCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000397461369 385356524 /nfs/dbraw/zinc/35/65/24/385356524.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP COCCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397461369 385356542 /nfs/dbraw/zinc/35/65/42/385356542.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000131752328 385358063 /nfs/dbraw/zinc/35/80/63/385358063.db2.gz IOZAKVVUHSCGGL-CHWFTXMASA-N 2 1 200.326 0.686 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000309011691 385358395 /nfs/dbraw/zinc/35/83/95/385358395.db2.gz SAEWCUNGVXUYQG-VXGBXAGGSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000309011691 385358402 /nfs/dbraw/zinc/35/84/02/385358402.db2.gz SAEWCUNGVXUYQG-VXGBXAGGSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309011691 385358407 /nfs/dbraw/zinc/35/84/07/385358407.db2.gz SAEWCUNGVXUYQG-VXGBXAGGSA-N 2 1 213.369 0.866 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000492840465 385448068 /nfs/dbraw/zinc/44/80/68/385448068.db2.gz PCWSMOGTXQGONE-XOULXFPDSA-N 2 1 248.330 0.501 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405294820 385456854 /nfs/dbraw/zinc/45/68/54/385456854.db2.gz FTUMXPOVXPJPNM-NXEZZACHSA-N 2 1 227.352 0.474 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000405260787 385431028 /nfs/dbraw/zinc/43/10/28/385431028.db2.gz OOQPUMPWTQQHII-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP c1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000275702674 385475294 /nfs/dbraw/zinc/47/52/94/385475294.db2.gz XSLCJFZFCOEFPA-JTQLQIEISA-N 2 1 231.303 0.958 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000257656430 385486632 /nfs/dbraw/zinc/48/66/32/385486632.db2.gz CKKANVLPXNFTAC-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000257750173 385495874 /nfs/dbraw/zinc/49/58/74/385495874.db2.gz YJWXMQLMWYARJP-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000257753728 385496060 /nfs/dbraw/zinc/49/60/60/385496060.db2.gz ODYWCGRUUZYOQA-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000257751327 385497080 /nfs/dbraw/zinc/49/70/80/385497080.db2.gz GPAHGNRGEGCNSD-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257692119 385489027 /nfs/dbraw/zinc/48/90/27/385489027.db2.gz LZZCRSPUAOHUBZ-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000257708762 385489586 /nfs/dbraw/zinc/48/95/86/385489586.db2.gz QCQLKXRBGPWSME-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257706926 385490065 /nfs/dbraw/zinc/49/00/65/385490065.db2.gz QGKKFELOMALKMF-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)CC[N@@H+]1C ZINC000157869062 385530958 /nfs/dbraw/zinc/53/09/58/385530958.db2.gz ZDHVRBUWNMELKU-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)CC[N@H+]1C ZINC000157869062 385530961 /nfs/dbraw/zinc/53/09/61/385530961.db2.gz ZDHVRBUWNMELKU-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000054076743 385594923 /nfs/dbraw/zinc/59/49/23/385594923.db2.gz XACGCHKTCMXVMR-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000647705989 385580488 /nfs/dbraw/zinc/58/04/88/385580488.db2.gz ZZTJQHCNATYETF-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CCCSCC1)C1CC1 ZINC000309460765 385592015 /nfs/dbraw/zinc/59/20/15/385592015.db2.gz RSKUIPYOSZFKRK-LBPRGKRZSA-N 2 1 244.404 0.880 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309486734 385614290 /nfs/dbraw/zinc/61/42/90/385614290.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 1 230.352 0.408 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309486734 385614295 /nfs/dbraw/zinc/61/42/95/385614295.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 1 230.352 0.408 20 0 BCADMP CCn1nccc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414848523 385610930 /nfs/dbraw/zinc/61/09/30/385610930.db2.gz XCQNKGBLCPQMLX-JTQLQIEISA-N 2 1 210.325 0.848 20 0 BCADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309486507 385612501 /nfs/dbraw/zinc/61/25/01/385612501.db2.gz VQEZVHCJNTXHHD-RYUDHWBXSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309486507 385612506 /nfs/dbraw/zinc/61/25/06/385612506.db2.gz VQEZVHCJNTXHHD-RYUDHWBXSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](C[NH2+]CC1([NH3+])CCC1)CS(C)(=O)=O ZINC000336733964 385648794 /nfs/dbraw/zinc/64/87/94/385648794.db2.gz GYCIZMCMENHQAN-SECBINFHSA-N 2 1 234.365 0.138 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000309514715 385654865 /nfs/dbraw/zinc/65/48/65/385654865.db2.gz YIHHLKSWYPLWHM-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP C(CN1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309537362 385675827 /nfs/dbraw/zinc/67/58/27/385675827.db2.gz FLMIOWCQQKAOGD-STQMWFEESA-N 2 1 223.364 0.909 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[NH+]1CCC1 ZINC000337510246 385691208 /nfs/dbraw/zinc/69/12/08/385691208.db2.gz DUVNZZZLMJWTLF-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP C[N@H+](C/C=C/c1ccccc1)C[C@H](O)C[NH3+] ZINC000309594080 385717923 /nfs/dbraw/zinc/71/79/23/385717923.db2.gz VSLRXJNUXABNQW-OQHXTRMZSA-N 2 1 220.316 0.951 20 0 BCADMP C[N@@H+](C/C=C/c1ccccc1)C[C@H](O)C[NH3+] ZINC000309594080 385717927 /nfs/dbraw/zinc/71/79/27/385717927.db2.gz VSLRXJNUXABNQW-OQHXTRMZSA-N 2 1 220.316 0.951 20 0 BCADMP C[N@H+](C/C=C/c1ccccc1)C[C@@H](O)C[NH3+] ZINC000309594079 385718041 /nfs/dbraw/zinc/71/80/41/385718041.db2.gz VSLRXJNUXABNQW-LJLILKBBSA-N 2 1 220.316 0.951 20 0 BCADMP C[N@@H+](C/C=C/c1ccccc1)C[C@@H](O)C[NH3+] ZINC000309594079 385718046 /nfs/dbraw/zinc/71/80/46/385718046.db2.gz VSLRXJNUXABNQW-LJLILKBBSA-N 2 1 220.316 0.951 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000647793422 385700054 /nfs/dbraw/zinc/70/00/54/385700054.db2.gz XMZCBKBORAQWPU-RVMXOQNASA-N 2 1 242.363 0.362 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC000337456143 385670074 /nfs/dbraw/zinc/67/00/74/385670074.db2.gz JXKIYGFOMUELOY-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000337456143 385670079 /nfs/dbraw/zinc/67/00/79/385670079.db2.gz JXKIYGFOMUELOY-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C)[C@@H](C)C1 ZINC000414859815 385739193 /nfs/dbraw/zinc/73/91/93/385739193.db2.gz NXGOWGFHKOAHSV-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C)[C@@H](C)C1 ZINC000414859815 385739195 /nfs/dbraw/zinc/73/91/95/385739195.db2.gz NXGOWGFHKOAHSV-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C)[C@@H](C)C1 ZINC000414859815 385739198 /nfs/dbraw/zinc/73/91/98/385739198.db2.gz NXGOWGFHKOAHSV-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340132142 385740750 /nfs/dbraw/zinc/74/07/50/385740750.db2.gz XXBVPZVOTMCROI-UHFFFAOYSA-N 2 1 229.368 0.960 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000186494494 385765791 /nfs/dbraw/zinc/76/57/91/385765791.db2.gz ZPUVQDFRMDNZRS-AAOUONPWSA-N 2 1 212.337 0.997 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCCC2)CC[N@H+]1C ZINC000647806267 385850788 /nfs/dbraw/zinc/85/07/88/385850788.db2.gz BMXYMCFBQFWMFC-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP CNC(=O)c1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000647848117 385898448 /nfs/dbraw/zinc/89/84/48/385898448.db2.gz FGFWNJLCNYHCIA-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP CNC(=O)c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000647848117 385898451 /nfs/dbraw/zinc/89/84/51/385898451.db2.gz FGFWNJLCNYHCIA-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647858640 385914214 /nfs/dbraw/zinc/91/42/14/385914214.db2.gz WCMWGIFZNHXLDT-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000331759729 385917532 /nfs/dbraw/zinc/91/75/32/385917532.db2.gz JWSFPNGCBJQTNN-BBBLOLIVSA-N 2 1 240.351 0.258 20 0 BCADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH3+] ZINC000236826301 259678136 /nfs/dbraw/zinc/67/81/36/259678136.db2.gz TTZPRACUJXLWSJ-UHFFFAOYSA-N 2 1 224.308 0.472 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335032300 385921851 /nfs/dbraw/zinc/92/18/51/385921851.db2.gz NQDWFLFNIQKKCO-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000335037405 385927724 /nfs/dbraw/zinc/92/77/24/385927724.db2.gz JSTLQCMJJOMHJG-WDEREUQCSA-N 2 1 231.299 0.470 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272003874 385868529 /nfs/dbraw/zinc/86/85/29/385868529.db2.gz SBLUSJCUAGORCC-SNAWJCMRSA-N 2 1 237.347 0.482 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[N@H+]1C ZINC000647817012 385871171 /nfs/dbraw/zinc/87/11/71/385871171.db2.gz YKRDRHOZAALQEW-IRCOFANPSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647820869 385871389 /nfs/dbraw/zinc/87/13/89/385871389.db2.gz HKBAZIYIEXSENU-CYBMUJFWSA-N 2 1 249.358 0.817 20 0 BCADMP COC(=O)c1coc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000414873714 385879425 /nfs/dbraw/zinc/87/94/25/385879425.db2.gz HTDPIUJRZFDCPB-QMMMGPOBSA-N 2 1 226.276 0.751 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865398 385994827 /nfs/dbraw/zinc/99/48/27/385994827.db2.gz IETFVQRKWSDKRB-SRVKXCTJSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865398 385994830 /nfs/dbraw/zinc/99/48/30/385994830.db2.gz IETFVQRKWSDKRB-SRVKXCTJSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H](CS(C)(=O)=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336749007 385990495 /nfs/dbraw/zinc/99/04/95/385990495.db2.gz TVIUNCJTLJQROK-JTQLQIEISA-N 2 1 246.376 0.271 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251674184 385990850 /nfs/dbraw/zinc/99/08/50/385990850.db2.gz VGAJAENJJNTYIQ-AXFHLTTASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251674184 385990854 /nfs/dbraw/zinc/99/08/54/385990854.db2.gz VGAJAENJJNTYIQ-AXFHLTTASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251674185 385991427 /nfs/dbraw/zinc/99/14/27/385991427.db2.gz VGAJAENJJNTYIQ-HBNTYKKESA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251674185 385991431 /nfs/dbraw/zinc/99/14/31/385991431.db2.gz VGAJAENJJNTYIQ-HBNTYKKESA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1(C)CC1 ZINC000336749175 385992115 /nfs/dbraw/zinc/99/21/15/385992115.db2.gz FBDZIYMZWQRFFC-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(C)CC1 ZINC000336749175 385992118 /nfs/dbraw/zinc/99/21/18/385992118.db2.gz FBDZIYMZWQRFFC-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144927 385992813 /nfs/dbraw/zinc/99/28/13/385992813.db2.gz UGEQQOJIGQJWSP-NOOOWODRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144927 385992820 /nfs/dbraw/zinc/99/28/20/385992820.db2.gz UGEQQOJIGQJWSP-NOOOWODRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cn[nH]c1 ZINC000309009027 385933573 /nfs/dbraw/zinc/93/35/73/385933573.db2.gz OHJNQYHJDQDRHQ-ONGXEEELSA-N 2 1 208.309 0.621 20 0 BCADMP C[N@H+](CCCCS(C)(=O)=O)C1CC([NH3+])C1 ZINC000647982682 385937959 /nfs/dbraw/zinc/93/79/59/385937959.db2.gz WJPSRGPQZQIYAM-UHFFFAOYSA-N 2 1 234.365 0.233 20 0 BCADMP C[N@@H+](CCCCS(C)(=O)=O)C1CC([NH3+])C1 ZINC000647982682 385937964 /nfs/dbraw/zinc/93/79/64/385937964.db2.gz WJPSRGPQZQIYAM-UHFFFAOYSA-N 2 1 234.365 0.233 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647748065 385993199 /nfs/dbraw/zinc/99/31/99/385993199.db2.gz AZLVVPALGYECLS-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924065 385939994 /nfs/dbraw/zinc/93/99/94/385939994.db2.gz BGXCISISJTTYON-VIFPVBQESA-N 2 1 213.325 0.276 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417443968 385947904 /nfs/dbraw/zinc/94/79/04/385947904.db2.gz BMBJOYOOTNGKMX-UWVGGRQHSA-N 2 1 230.356 0.363 20 0 BCADMP CC[NH2+]CCNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000417446470 385953832 /nfs/dbraw/zinc/95/38/32/385953832.db2.gz LNNBUGBZQSAXMY-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417449156 385958105 /nfs/dbraw/zinc/95/81/05/385958105.db2.gz XNLGTBXUJVZZBE-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417446802 385958335 /nfs/dbraw/zinc/95/83/35/385958335.db2.gz NHGKKHYJNZEVGU-MNOVXSKESA-N 2 1 244.383 0.705 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417447850 385961165 /nfs/dbraw/zinc/96/11/65/385961165.db2.gz RWEQPWJYLHYOSA-QWRGUYRKSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@@H](O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314497833 385965192 /nfs/dbraw/zinc/96/51/92/385965192.db2.gz DXJSSSAFDYDDFH-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314497833 385965195 /nfs/dbraw/zinc/96/51/95/385965195.db2.gz DXJSSSAFDYDDFH-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]CC2(C)COC2)CC1 ZINC000336747039 385968925 /nfs/dbraw/zinc/96/89/25/385968925.db2.gz BOJXQTMRHSTVJX-UHFFFAOYSA-N 2 1 210.321 0.874 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000128279386 385970492 /nfs/dbraw/zinc/97/04/92/385970492.db2.gz QYEHHQLOQSTPFQ-BXKDBHETSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000128279386 385970498 /nfs/dbraw/zinc/97/04/98/385970498.db2.gz QYEHHQLOQSTPFQ-BXKDBHETSA-N 2 1 222.336 0.898 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309272819 386001840 /nfs/dbraw/zinc/00/18/40/386001840.db2.gz LLFPCMKGWZPZTO-NWDGAFQWSA-N 2 1 220.320 0.636 20 0 BCADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750386 386003452 /nfs/dbraw/zinc/00/34/52/386003452.db2.gz UUJLVSOLAXPFKC-MWLCHTKSSA-N 2 1 241.360 0.860 20 0 BCADMP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417459256 386010784 /nfs/dbraw/zinc/01/07/84/386010784.db2.gz IWJWUPYNVLYIKD-NSHDSACASA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336770703 386013490 /nfs/dbraw/zinc/01/34/90/386013490.db2.gz WVINVMSISYELCG-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336770703 386013498 /nfs/dbraw/zinc/01/34/98/386013498.db2.gz WVINVMSISYELCG-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP COC[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000338476676 386014200 /nfs/dbraw/zinc/01/42/00/386014200.db2.gz GYFBTFOCGGCOKJ-NSHDSACASA-N 2 1 239.319 0.245 20 0 BCADMP O=C(NCc1cnc[nH]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000335069503 386016254 /nfs/dbraw/zinc/01/62/54/386016254.db2.gz LXYMYRFHKHFOPP-GXFFZTMASA-N 2 1 248.330 0.806 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978268 386039297 /nfs/dbraw/zinc/03/92/97/386039297.db2.gz RKHOIBWLBDWJRR-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000647754518 386102328 /nfs/dbraw/zinc/10/23/28/386102328.db2.gz KLECTWCWPOUHDW-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000647968911 386110977 /nfs/dbraw/zinc/11/09/77/386110977.db2.gz BBZUDZKCCQPSNU-NEPJUHHUSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000647968911 386110983 /nfs/dbraw/zinc/11/09/83/386110983.db2.gz BBZUDZKCCQPSNU-NEPJUHHUSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000647968911 386110991 /nfs/dbraw/zinc/11/09/91/386110991.db2.gz BBZUDZKCCQPSNU-NEPJUHHUSA-N 2 1 246.395 0.638 20 0 BCADMP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)C1C[NH2+]C1 ZINC000129230402 386066907 /nfs/dbraw/zinc/06/69/07/386066907.db2.gz JLWQTRXZRCXKEE-VIFPVBQESA-N 2 1 225.336 0.052 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414651701 386073389 /nfs/dbraw/zinc/07/33/89/386073389.db2.gz FWGVDFJMGSWUFY-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000414651701 386073397 /nfs/dbraw/zinc/07/33/97/386073397.db2.gz FWGVDFJMGSWUFY-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673080 386145145 /nfs/dbraw/zinc/14/51/45/386145145.db2.gz BNJDDEFOPREFMX-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673075 386145402 /nfs/dbraw/zinc/14/54/02/386145402.db2.gz BNJDDEFOPREFMX-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000414673129 386145522 /nfs/dbraw/zinc/14/55/22/386145522.db2.gz QHLRRBONSZGRNA-UWVGGRQHSA-N 2 1 213.325 0.167 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000414673129 386145523 /nfs/dbraw/zinc/14/55/23/386145523.db2.gz QHLRRBONSZGRNA-UWVGGRQHSA-N 2 1 213.325 0.167 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676163 386149716 /nfs/dbraw/zinc/14/97/16/386149716.db2.gz UUTFSVVLAXZXLZ-WOPDTQHZSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000414892228 386151363 /nfs/dbraw/zinc/15/13/63/386151363.db2.gz XNOSWGLRIXBXBD-OLZOCXBDSA-N 2 1 240.395 0.012 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000334476059 386153539 /nfs/dbraw/zinc/15/35/39/386153539.db2.gz OLNYYAOQUAVMJR-PWSUYJOCSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334476059 386153545 /nfs/dbraw/zinc/15/35/45/386153545.db2.gz OLNYYAOQUAVMJR-PWSUYJOCSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334476059 386153550 /nfs/dbraw/zinc/15/35/50/386153550.db2.gz OLNYYAOQUAVMJR-PWSUYJOCSA-N 2 1 237.347 0.434 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088191 386153971 /nfs/dbraw/zinc/15/39/71/386153971.db2.gz ZQZRPYIDITVDRC-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346182023 386160305 /nfs/dbraw/zinc/16/03/05/386160305.db2.gz CHYLZIVRFCQXTO-SNVBAGLBSA-N 2 1 215.341 0.393 20 0 BCADMP CCOC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414678703 386160804 /nfs/dbraw/zinc/16/08/04/386160804.db2.gz QVJZXZZVIPSHRN-WDEREUQCSA-N 2 1 228.336 0.869 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000346139736 386165470 /nfs/dbraw/zinc/16/54/70/386165470.db2.gz OMTCGVZTZUKKIL-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000346157096 386171557 /nfs/dbraw/zinc/17/15/57/386171557.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346157096 386171562 /nfs/dbraw/zinc/17/15/62/386171562.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346157096 386171567 /nfs/dbraw/zinc/17/15/67/386171567.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414686446 386173731 /nfs/dbraw/zinc/17/37/31/386173731.db2.gz ASKIFPKYIXTLNG-WDEREUQCSA-N 2 1 228.336 0.869 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414693848 386191045 /nfs/dbraw/zinc/19/10/45/386191045.db2.gz FLQYNEUBTOQCOP-SECBINFHSA-N 2 1 200.282 0.363 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H](C)C[NH+](C)C)C1CC1 ZINC000346238000 386178806 /nfs/dbraw/zinc/17/88/06/386178806.db2.gz ZJYFDDFYTANHRQ-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879498 386179802 /nfs/dbraw/zinc/17/98/02/386179802.db2.gz BGYNTVGAOPYYPK-PWSUYJOCSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879498 386179808 /nfs/dbraw/zinc/17/98/08/386179808.db2.gz BGYNTVGAOPYYPK-PWSUYJOCSA-N 2 1 237.347 0.339 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414891740 386143152 /nfs/dbraw/zinc/14/31/52/386143152.db2.gz WWNDESOMUPWAEZ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702312 386208120 /nfs/dbraw/zinc/20/81/20/386208120.db2.gz IHEPNAJIEUVLJO-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH3+])C1 ZINC000414702631 386210556 /nfs/dbraw/zinc/21/05/56/386210556.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 2 1 213.369 0.999 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131738315 386215222 /nfs/dbraw/zinc/21/52/22/386215222.db2.gz DSUPUTNNAVTPDQ-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131738315 386215231 /nfs/dbraw/zinc/21/52/31/386215231.db2.gz DSUPUTNNAVTPDQ-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000414705772 386216172 /nfs/dbraw/zinc/21/61/72/386216172.db2.gz XKGXQOIGJDFYGZ-JGVFFNPUSA-N 2 1 226.242 0.723 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000414705772 386216175 /nfs/dbraw/zinc/21/61/75/386216175.db2.gz XKGXQOIGJDFYGZ-JGVFFNPUSA-N 2 1 226.242 0.723 20 0 BCADMP C[C@H]1SCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000132420009 386234152 /nfs/dbraw/zinc/23/41/52/386234152.db2.gz VRNGDZONYRYKGI-NWDGAFQWSA-N 2 1 243.420 0.717 20 0 BCADMP C[C@]1(C(=O)NCC(F)(F)C[NH3+])CCCC[NH2+]1 ZINC000190245597 386244860 /nfs/dbraw/zinc/24/48/60/386244860.db2.gz NXUJVLZLPMOSAZ-SECBINFHSA-N 2 1 235.278 0.229 20 0 BCADMP CCCC(=O)NC1CC[NH+](CCC[NH2+]C)CC1 ZINC000647880289 386194881 /nfs/dbraw/zinc/19/48/81/386194881.db2.gz ARSDHVITPHJGCZ-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695138 386198680 /nfs/dbraw/zinc/19/86/80/386198680.db2.gz OEBDJPSKICXIGC-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000414698090 386198961 /nfs/dbraw/zinc/19/89/61/386198961.db2.gz RUKOZHQHLCNGFG-CYBMUJFWSA-N 2 1 241.379 0.379 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](CCC[NH3+])C1CC1 ZINC000414698378 386199309 /nfs/dbraw/zinc/19/93/09/386199309.db2.gz DEJADVCXQNVNKS-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP C[N@H+](CCOCCO)CC[C@@H]1CCC[NH+]1C ZINC000336666968 386293993 /nfs/dbraw/zinc/29/39/93/386293993.db2.gz OCKUFULRWSUYKH-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[N@@H+](CCOCCO)CC[C@@H]1CCC[NH+]1C ZINC000336666968 386293996 /nfs/dbraw/zinc/29/39/96/386293996.db2.gz OCKUFULRWSUYKH-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](CCOCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336666968 386293999 /nfs/dbraw/zinc/29/39/99/386293999.db2.gz OCKUFULRWSUYKH-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](CCOCCO)CC[C@@H]1CCC[N@H+]1C ZINC000336666968 386294003 /nfs/dbraw/zinc/29/40/03/386294003.db2.gz OCKUFULRWSUYKH-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CC[NH+](CC)CCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347294067 386294669 /nfs/dbraw/zinc/29/46/69/386294669.db2.gz QHNAWDOFTDVWAJ-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP Cc1nnc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988409 386301979 /nfs/dbraw/zinc/30/19/79/386301979.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 1 249.362 0.902 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334509274 386308150 /nfs/dbraw/zinc/30/81/50/386308150.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334509274 386308156 /nfs/dbraw/zinc/30/81/56/386308156.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334509274 386308159 /nfs/dbraw/zinc/30/81/59/386308159.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 2 1 234.347 0.911 20 0 BCADMP CN(C(=O)C[NH+](C)C)C(C)(C)C[NH+]1CCCC1 ZINC000416335705 386261891 /nfs/dbraw/zinc/26/18/91/386261891.db2.gz WHAUTFACRMJUCQ-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H](O)C[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336656818 386274947 /nfs/dbraw/zinc/27/49/47/386274947.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)C[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336656818 386274953 /nfs/dbraw/zinc/27/49/53/386274953.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)C[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336656818 386274958 /nfs/dbraw/zinc/27/49/58/386274958.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000647987577 386276046 /nfs/dbraw/zinc/27/60/46/386276046.db2.gz FNDNDOZQZFLGTQ-GFCCVEGCSA-N 3 1 229.368 0.018 20 0 BCADMP COC[C@@H]1CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339290050 386341200 /nfs/dbraw/zinc/34/12/00/386341200.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 2 1 228.336 0.162 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@@H]1CC[NH2+]C1 ZINC000647989994 386386256 /nfs/dbraw/zinc/38/62/56/386386256.db2.gz MYUHPLNJAJJAQD-LLVKDONJSA-N 2 1 220.320 0.560 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@@H]1CC[NH2+]C1 ZINC000647989994 386386264 /nfs/dbraw/zinc/38/62/64/386386264.db2.gz MYUHPLNJAJJAQD-LLVKDONJSA-N 2 1 220.320 0.560 20 0 BCADMP C[C@H]1CC2(C[N@H+]1CC(N)=O)CC[NH2+]CC2 ZINC000335277510 386342915 /nfs/dbraw/zinc/34/29/15/386342915.db2.gz IUIMNGXMOUIFJG-VIFPVBQESA-N 2 1 211.309 0.986 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000647989572 386359027 /nfs/dbraw/zinc/35/90/27/386359027.db2.gz GHFFJLVUCBSAOA-JTQLQIEISA-N 2 1 209.297 0.134 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000647989572 386359031 /nfs/dbraw/zinc/35/90/31/386359031.db2.gz GHFFJLVUCBSAOA-JTQLQIEISA-N 2 1 209.297 0.134 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C(=O)[C@@H]2C)CC[NH2+]1 ZINC000414748057 386359126 /nfs/dbraw/zinc/35/91/26/386359126.db2.gz VWANEBGIJONVFE-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890061 386359335 /nfs/dbraw/zinc/35/93/35/386359335.db2.gz KOPCVVXEGZJTMV-QWHCGFSZSA-N 2 1 242.363 0.581 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336691247 386360265 /nfs/dbraw/zinc/36/02/65/386360265.db2.gz FICCZYXKJQDVPJ-LBPRGKRZSA-N 2 1 236.363 0.846 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1OC ZINC000336692699 386366944 /nfs/dbraw/zinc/36/69/44/386366944.db2.gz HSDNEVWIHNIUQX-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1OC ZINC000336692699 386366949 /nfs/dbraw/zinc/36/69/49/386366949.db2.gz HSDNEVWIHNIUQX-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC[NH3+])C1 ZINC000414749859 386367288 /nfs/dbraw/zinc/36/72/88/386367288.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 2 1 225.380 0.999 20 0 BCADMP C[C@H](CNC(=O)N[C@@H](C)CC[NH3+])[N@@H+](C)C1CC1 ZINC000417556167 386380314 /nfs/dbraw/zinc/38/03/14/386380314.db2.gz ZXYODESCDDWLOO-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP C[NH+](C)C1(C[NH2+]CC2(C)COC2)CCOCC1 ZINC000347394285 386382213 /nfs/dbraw/zinc/38/22/13/386382213.db2.gz XLXLDSWGKDLGNE-UHFFFAOYSA-N 2 1 242.363 0.723 20 0 BCADMP CO[C@@H]1C[N@@H+](CCn2ccnc2)C[C@@H]1OC ZINC000276853959 386384404 /nfs/dbraw/zinc/38/44/04/386384404.db2.gz JJBBQEMXFMOVHI-PHIMTYICSA-N 2 1 225.292 0.229 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)CN(C)C)CC1 ZINC000334484383 386326344 /nfs/dbraw/zinc/32/63/44/386326344.db2.gz ZWUTYORQJHARPI-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000334484383 386326356 /nfs/dbraw/zinc/32/63/56/386326356.db2.gz ZWUTYORQJHARPI-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP C[C@@]1(C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414903184 386334506 /nfs/dbraw/zinc/33/45/06/386334506.db2.gz JGMQQOLAFPGLKP-NEPJUHHUSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@]1(C[NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414903186 386335629 /nfs/dbraw/zinc/33/56/29/386335629.db2.gz JGMQQOLAFPGLKP-VXGBXAGGSA-N 3 1 211.353 0.718 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000414755366 386395250 /nfs/dbraw/zinc/39/52/50/386395250.db2.gz HKMTWVRHUNSPQD-GARJFASQSA-N 2 1 200.326 0.815 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000414755366 386395256 /nfs/dbraw/zinc/39/52/56/386395256.db2.gz HKMTWVRHUNSPQD-GARJFASQSA-N 2 1 200.326 0.815 20 0 BCADMP C[C@H](CNC(=O)CCC[NH3+])[N@@H+](C)C1CC1 ZINC000226399594 386398728 /nfs/dbraw/zinc/39/87/28/386398728.db2.gz PLOZGIAOCOWOHE-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1c(C[NH2+]CC[C@H]2CCC[NH2+]2)cnn1C ZINC000414911113 386451353 /nfs/dbraw/zinc/45/13/53/386451353.db2.gz WDRKPICCNLDQKV-GFCCVEGCSA-N 2 1 222.336 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417584125 386408462 /nfs/dbraw/zinc/40/84/62/386408462.db2.gz MEQFSUNSEQHHDW-LLVKDONJSA-N 2 1 242.367 0.509 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760229 386413602 /nfs/dbraw/zinc/41/36/02/386413602.db2.gz GUUMQBUJJWONIS-KKOKHZNYSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1N ZINC000414760229 386413605 /nfs/dbraw/zinc/41/36/05/386413605.db2.gz GUUMQBUJJWONIS-KKOKHZNYSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1N ZINC000414760229 386413607 /nfs/dbraw/zinc/41/36/07/386413607.db2.gz GUUMQBUJJWONIS-KKOKHZNYSA-N 2 1 211.353 0.654 20 0 BCADMP CCOCC[N@H+]1CCN(C[C@@H](C)[NH3+])C[C@H]1CC ZINC000442664853 386417622 /nfs/dbraw/zinc/41/76/22/386417622.db2.gz XMSGEIHRKMWOCC-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000417584949 386419108 /nfs/dbraw/zinc/41/91/08/386419108.db2.gz NTAXNTVVEHGLFH-SNVBAGLBSA-N 2 1 228.340 0.119 20 0 BCADMP C[N@@H+](CCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000134560311 386424263 /nfs/dbraw/zinc/42/42/63/386424263.db2.gz PKPKESIPNNGPKS-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](CCOCCO)CC[C@@H]1CCC[NH+]1C ZINC000336713926 386430105 /nfs/dbraw/zinc/43/01/05/386430105.db2.gz RXEPSRLZVBSJGZ-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CC[NH+](CCOCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336713926 386430108 /nfs/dbraw/zinc/43/01/08/386430108.db2.gz RXEPSRLZVBSJGZ-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000417243118 386466179 /nfs/dbraw/zinc/46/61/79/386466179.db2.gz VDKPPZYOGBYYTP-GHMZBOCLSA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417626998 386466356 /nfs/dbraw/zinc/46/63/56/386466356.db2.gz OXNZSARHDOWBLT-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417276325 386468917 /nfs/dbraw/zinc/46/89/17/386468917.db2.gz DOLXLPBYFCKDPS-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774745 386470472 /nfs/dbraw/zinc/47/04/72/386470472.db2.gz FWJXRFOGCQDXQF-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417284875 386472607 /nfs/dbraw/zinc/47/26/07/386472607.db2.gz KLBVFHNUYLTPPD-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417284872 386474013 /nfs/dbraw/zinc/47/40/13/386474013.db2.gz KLBVFHNUYLTPPD-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417286449 386476139 /nfs/dbraw/zinc/47/61/39/386476139.db2.gz MXKDHLFRMPPUHX-WDEREUQCSA-N 2 1 242.367 0.235 20 0 BCADMP C[NH+](C)CCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290881037 386483670 /nfs/dbraw/zinc/48/36/70/386483670.db2.gz MBZLYQOTQCUPBQ-UHFFFAOYSA-N 2 1 233.319 0.999 20 0 BCADMP C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@H](C)[NH3+] ZINC000415011133 386484426 /nfs/dbraw/zinc/48/44/26/386484426.db2.gz QEQDSHJWQZOZIE-DTWKUNHWSA-N 2 1 233.319 0.794 20 0 BCADMP C[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000062010159 386491561 /nfs/dbraw/zinc/49/15/61/386491561.db2.gz PGSBJKDAAWVAMU-SNVBAGLBSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)CO ZINC000339628244 386496185 /nfs/dbraw/zinc/49/61/85/386496185.db2.gz RYLLOOVBQUWUHL-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)CO ZINC000339628244 386496191 /nfs/dbraw/zinc/49/61/91/386496191.db2.gz RYLLOOVBQUWUHL-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)CO ZINC000339628244 386496195 /nfs/dbraw/zinc/49/61/95/386496195.db2.gz RYLLOOVBQUWUHL-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)CO ZINC000339628244 386496201 /nfs/dbraw/zinc/49/62/01/386496201.db2.gz RYLLOOVBQUWUHL-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000062896513 386529572 /nfs/dbraw/zinc/52/95/72/386529572.db2.gz BOEVAAIKRRNEBM-ZDUSSCGKSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049791 386507217 /nfs/dbraw/zinc/50/72/17/386507217.db2.gz BHPJUSNVLGHBAM-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049791 386507221 /nfs/dbraw/zinc/50/72/21/386507221.db2.gz BHPJUSNVLGHBAM-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513632 /nfs/dbraw/zinc/51/36/32/386513632.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513637 /nfs/dbraw/zinc/51/36/37/386513637.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 2 1 208.309 0.887 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447621 386515278 /nfs/dbraw/zinc/51/52/78/386515278.db2.gz FGVNDUHRSHXJBX-QWRGUYRKSA-N 3 1 209.337 0.409 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447621 386515283 /nfs/dbraw/zinc/51/52/83/386515283.db2.gz FGVNDUHRSHXJBX-QWRGUYRKSA-N 3 1 209.337 0.409 20 0 BCADMP Cc1cn[nH]c1CN(C)C1CC[NH2+]CC1 ZINC000335449135 386516686 /nfs/dbraw/zinc/51/66/86/386516686.db2.gz VROIOLDNAHPGSC-UHFFFAOYSA-N 2 1 208.309 0.902 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417134107 386453330 /nfs/dbraw/zinc/45/33/30/386453330.db2.gz IFCKSPWQCDFMBE-AXFHLTTASA-N 2 1 240.351 0.260 20 0 BCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000417626583 386465405 /nfs/dbraw/zinc/46/54/05/386465405.db2.gz ODLKMRPKCKPCLA-LLVKDONJSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647779674 386585105 /nfs/dbraw/zinc/58/51/05/386585105.db2.gz FJXNCHYODVLCEG-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905613 386594797 /nfs/dbraw/zinc/59/47/97/386594797.db2.gz KXRDWVQGMRVVKM-JQWIXIFHSA-N 2 1 235.331 0.554 20 0 BCADMP CC[C@@H]1C[C@H](C[N@H+](CCN)CCO)CCO1 ZINC000414917252 386530892 /nfs/dbraw/zinc/53/08/92/386530892.db2.gz VNRRUSQQODZACI-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@H](C[N@@H+](CCN)CCO)CCO1 ZINC000414917252 386530894 /nfs/dbraw/zinc/53/08/94/386530894.db2.gz VNRRUSQQODZACI-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@H](C[N@H+](CC[NH3+])CCO)CCO1 ZINC000414917252 386530900 /nfs/dbraw/zinc/53/09/00/386530900.db2.gz VNRRUSQQODZACI-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@H](C[N@@H+](CC[NH3+])CCO)CCO1 ZINC000414917252 386530906 /nfs/dbraw/zinc/53/09/06/386530906.db2.gz VNRRUSQQODZACI-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902558 386532378 /nfs/dbraw/zinc/53/23/78/386532378.db2.gz LXBXADPUNNTOBY-GWCFXTLKSA-N 2 1 237.347 0.339 20 0 BCADMP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000415056836 386537160 /nfs/dbraw/zinc/53/71/60/386537160.db2.gz OSQLSMXPAWDSPN-LLVKDONJSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000415056836 386537169 /nfs/dbraw/zinc/53/71/69/386537169.db2.gz OSQLSMXPAWDSPN-LLVKDONJSA-N 2 1 226.295 0.886 20 0 BCADMP c1cnc(N[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995345 386538040 /nfs/dbraw/zinc/53/80/40/386538040.db2.gz QNBLHRWVDPQJLK-NWDGAFQWSA-N 2 1 247.346 0.572 20 0 BCADMP c1cnc(N[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995345 386538046 /nfs/dbraw/zinc/53/80/46/386538046.db2.gz QNBLHRWVDPQJLK-NWDGAFQWSA-N 2 1 247.346 0.572 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415058333 386540334 /nfs/dbraw/zinc/54/03/34/386540334.db2.gz VLMKRLAVQUIGKP-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415058333 386540340 /nfs/dbraw/zinc/54/03/40/386540340.db2.gz VLMKRLAVQUIGKP-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP COCc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415060013 386542170 /nfs/dbraw/zinc/54/21/70/386542170.db2.gz SXZBQXXKBYLOPE-CYBMUJFWSA-N 2 1 238.331 0.584 20 0 BCADMP COCc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415060013 386542173 /nfs/dbraw/zinc/54/21/73/386542173.db2.gz SXZBQXXKBYLOPE-CYBMUJFWSA-N 2 1 238.331 0.584 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000335464754 386550419 /nfs/dbraw/zinc/55/04/19/386550419.db2.gz METUWCLVXVMRKB-WDEREUQCSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415068849 386551566 /nfs/dbraw/zinc/55/15/66/386551566.db2.gz NRBKAAFHHPFSCQ-YPMHNXCESA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071723 386564495 /nfs/dbraw/zinc/56/44/95/386564495.db2.gz UJQPGRBXPIJPSR-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000335409908 386572254 /nfs/dbraw/zinc/57/22/54/386572254.db2.gz QXTONCVAHVEWNB-RYUDHWBXSA-N 2 1 237.347 0.245 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335409908 386572259 /nfs/dbraw/zinc/57/22/59/386572259.db2.gz QXTONCVAHVEWNB-RYUDHWBXSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906586 386636145 /nfs/dbraw/zinc/63/61/45/386636145.db2.gz HDELQMUNJXJOMH-CMPLNLGQSA-N 2 1 235.331 0.554 20 0 BCADMP CO[C@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336646659 386638728 /nfs/dbraw/zinc/63/87/28/386638728.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP CO[C@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336646659 386638733 /nfs/dbraw/zinc/63/87/33/386638733.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@H](O)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143400 386638699 /nfs/dbraw/zinc/63/86/99/386638699.db2.gz SMZHTHSANMEWOX-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000337195608 386645094 /nfs/dbraw/zinc/64/50/94/386645094.db2.gz WAVDAKLQGCRPRO-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647937768 386646883 /nfs/dbraw/zinc/64/68/83/386646883.db2.gz ATDXIXUVMQHJAT-STQMWFEESA-N 2 1 249.358 0.945 20 0 BCADMP OCCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCC1 ZINC000415086073 386604190 /nfs/dbraw/zinc/60/41/90/386604190.db2.gz RPKVHFWQSNXSOJ-LLVKDONJSA-N 2 1 212.337 0.881 20 0 BCADMP OCCC1(C[NH2+][C@H]2CC[NH2+]C2)CCCC1 ZINC000415086075 386605161 /nfs/dbraw/zinc/60/51/61/386605161.db2.gz RPKVHFWQSNXSOJ-NSHDSACASA-N 2 1 212.337 0.881 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820136 386664639 /nfs/dbraw/zinc/66/46/39/386664639.db2.gz AKKQPFQPBRWGMT-SNVBAGLBSA-N 2 1 228.336 0.917 20 0 BCADMP COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343248536 386658856 /nfs/dbraw/zinc/65/88/56/386658856.db2.gz INYHCEMPTSUSBC-JHJVBQTASA-N 2 1 242.363 0.770 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414830799 386709262 /nfs/dbraw/zinc/70/92/62/386709262.db2.gz OGEXUOLXUAKIPG-HBNTYKKESA-N 2 1 210.321 0.753 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414830795 386710015 /nfs/dbraw/zinc/71/00/15/386710015.db2.gz OGEXUOLXUAKIPG-GMTAPVOTSA-N 2 1 210.321 0.753 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(C)c1C ZINC000414829047 386701225 /nfs/dbraw/zinc/70/12/25/386701225.db2.gz AGXXPHVVVXAIOC-VIFPVBQESA-N 2 1 224.352 0.982 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC)C[C@@H]1C ZINC000520603942 386705754 /nfs/dbraw/zinc/70/57/54/386705754.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CC)C[C@@H]1C ZINC000520603942 386705757 /nfs/dbraw/zinc/70/57/57/386705757.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CC)C[C@@H]1C ZINC000520603942 386705766 /nfs/dbraw/zinc/70/57/66/386705766.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP O=C1[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC1 ZINC000357069031 386708755 /nfs/dbraw/zinc/70/87/55/386708755.db2.gz FECLHDSTJNKQMH-NQBHXWOUSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC1 ZINC000357069031 386708760 /nfs/dbraw/zinc/70/87/60/386708760.db2.gz FECLHDSTJNKQMH-NQBHXWOUSA-N 2 1 249.358 0.291 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357085245 386714719 /nfs/dbraw/zinc/71/47/19/386714719.db2.gz QSDOPTAHTJIPEU-CYBMUJFWSA-N 2 1 242.363 0.854 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357240156 386746108 /nfs/dbraw/zinc/74/61/08/386746108.db2.gz JRCCGHIGTJPZNA-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000357348659 386763365 /nfs/dbraw/zinc/76/33/65/386763365.db2.gz RFWCKDHJKZSUEW-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269252086 386766453 /nfs/dbraw/zinc/76/64/53/386766453.db2.gz HJJJXWFJDGDMEI-ZETCQYMHSA-N 2 1 208.265 0.433 20 0 BCADMP CN(C)c1cc(NC(=O)C2([NH3+])CC2)cc[nH+]1 ZINC000269240527 386768514 /nfs/dbraw/zinc/76/85/14/386768514.db2.gz ARPWUOZEXFMUCQ-UHFFFAOYSA-N 2 1 220.276 0.577 20 0 BCADMP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000394992529 386793380 /nfs/dbraw/zinc/79/33/80/386793380.db2.gz GDHYOZIBNPVHDZ-MROQNXINSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@H+]1C ZINC000639273652 386776434 /nfs/dbraw/zinc/77/64/34/386776434.db2.gz TVBQVJPHHOHAPT-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC[NH3+] ZINC000417811821 386781712 /nfs/dbraw/zinc/78/17/12/386781712.db2.gz KFUJXWOAFPSJSH-UHFFFAOYSA-N 2 1 230.356 0.318 20 0 BCADMP CO[C@@H](C)C[N@@H+](CCOCC[NH3+])C(C)C ZINC000336671675 386818077 /nfs/dbraw/zinc/81/80/77/386818077.db2.gz GCKOQJUCCAEFSD-NSHDSACASA-N 2 1 218.341 0.707 20 0 BCADMP C[C@H]1[C@H](NC(=O)NCCCC[NH3+])CCC[N@H+]1C ZINC000418001885 386820721 /nfs/dbraw/zinc/82/07/21/386820721.db2.gz LHSVKJZYNUJREQ-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@H+]1C ZINC000417997357 386805286 /nfs/dbraw/zinc/80/52/86/386805286.db2.gz FTOXZAYBIPPEPS-GXSJLCMTSA-N 2 1 240.351 0.082 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000417996242 386805353 /nfs/dbraw/zinc/80/53/53/386805353.db2.gz DRMRMYSUFVAWLO-QWRGUYRKSA-N 2 1 242.367 0.378 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000417857001 386806077 /nfs/dbraw/zinc/80/60/77/386806077.db2.gz NOEKMZYIMGUQQZ-NXEZZACHSA-N 2 1 240.351 0.130 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935398 386812052 /nfs/dbraw/zinc/81/20/52/386812052.db2.gz VOONZCCWOWPUCP-BDAKNGLRSA-N 2 1 221.295 0.701 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538781 386832856 /nfs/dbraw/zinc/83/28/56/386832856.db2.gz JJNCQGUDLDTSQA-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NCCC[NH3+])CCC[N@H+]1C ZINC000418004224 386848233 /nfs/dbraw/zinc/84/82/33/386848233.db2.gz NXLOJYNCPFRLIR-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336675165 386854672 /nfs/dbraw/zinc/85/46/72/386854672.db2.gz VCTLBEMMRIHCDT-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418005064 386855190 /nfs/dbraw/zinc/85/51/90/386855190.db2.gz OYYAFTFSVZBKEY-VWYCJHECSA-N 2 1 242.367 0.506 20 0 BCADMP CCC1(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CCOCC1 ZINC000357953627 386872198 /nfs/dbraw/zinc/87/21/98/386872198.db2.gz CQVAACULSLGBSN-LBPRGKRZSA-N 2 1 242.363 0.853 20 0 BCADMP CCC1(C[N@H+]2CCO[C@@H](C[NH3+])C2)CCOCC1 ZINC000357953627 386872206 /nfs/dbraw/zinc/87/22/06/386872206.db2.gz CQVAACULSLGBSN-LBPRGKRZSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)CC[N@H+]1C ZINC000358049303 386885314 /nfs/dbraw/zinc/88/53/14/386885314.db2.gz QSRITLQOLPTHGK-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](CO)[C@@H]2CCOC2)CC1 ZINC000341373003 386896219 /nfs/dbraw/zinc/89/62/19/386896219.db2.gz OVRTUVHQERINTA-VXGBXAGGSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852867 386902744 /nfs/dbraw/zinc/90/27/44/386902744.db2.gz BKJNDGJXJNLGIV-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP Cc1nccn1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334853549 386903973 /nfs/dbraw/zinc/90/39/73/386903973.db2.gz XNVPNDZLQZUNPL-LLVKDONJSA-N 2 1 221.304 0.648 20 0 BCADMP CCN1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000335767219 386909345 /nfs/dbraw/zinc/90/93/45/386909345.db2.gz IFTDRFMQKVVONG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336763094 386946974 /nfs/dbraw/zinc/94/69/74/386946974.db2.gz LXQFGKPVMLGAJZ-RYUDHWBXSA-N 2 1 232.368 0.560 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CCC[N@H+]1C ZINC000418013791 386921940 /nfs/dbraw/zinc/92/19/40/386921940.db2.gz ZQPVRIPNUXOEKC-VWYCJHECSA-N 2 1 240.351 0.130 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336762272 386925108 /nfs/dbraw/zinc/92/51/08/386925108.db2.gz NNKSVIDSBZJBEK-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336762272 386925112 /nfs/dbraw/zinc/92/51/12/386925112.db2.gz NNKSVIDSBZJBEK-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871701 386932780 /nfs/dbraw/zinc/93/27/80/386932780.db2.gz ZPOJTERPCMMQRE-QYNFOATHSA-N 2 1 212.337 0.830 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335833853 386935032 /nfs/dbraw/zinc/93/50/32/386935032.db2.gz WZFHLIPZGIILTB-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000341777003 386959023 /nfs/dbraw/zinc/95/90/23/386959023.db2.gz OWPQEVZPJQGCGS-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341777003 386959029 /nfs/dbraw/zinc/95/90/29/386959029.db2.gz OWPQEVZPJQGCGS-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000125986115 386963668 /nfs/dbraw/zinc/96/36/68/386963668.db2.gz UOIXTMIAVMRRPL-SNVBAGLBSA-N 2 1 221.304 0.932 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368610123 386994617 /nfs/dbraw/zinc/99/46/17/386994617.db2.gz DDTZBRHSNCCWED-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368610123 386994620 /nfs/dbraw/zinc/99/46/20/386994620.db2.gz DDTZBRHSNCCWED-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000358709974 386999057 /nfs/dbraw/zinc/99/90/57/386999057.db2.gz AZGHITOUICTBLW-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000358709974 386999064 /nfs/dbraw/zinc/99/90/64/386999064.db2.gz AZGHITOUICTBLW-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000104418485 387004607 /nfs/dbraw/zinc/00/46/07/387004607.db2.gz YWJVTTDCPQVGQL-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2ncnn2C1)[C@H]1CCCC[NH2+]1 ZINC000333346468 387030397 /nfs/dbraw/zinc/03/03/97/387030397.db2.gz ZIGXACVIHGGJSJ-SDDRHHMPSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000648106105 387031281 /nfs/dbraw/zinc/03/12/81/387031281.db2.gz ALKTVIIHNDQEIJ-IEBDPFPHSA-N 2 1 225.336 0.180 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334955434 387033649 /nfs/dbraw/zinc/03/36/49/387033649.db2.gz HKKKUMSLGKGDEF-WDEREUQCSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334960702 387041463 /nfs/dbraw/zinc/04/14/63/387041463.db2.gz XFGGIWQHQNKIED-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334960702 387041467 /nfs/dbraw/zinc/04/14/67/387041467.db2.gz XFGGIWQHQNKIED-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334960702 387041470 /nfs/dbraw/zinc/04/14/70/387041470.db2.gz XFGGIWQHQNKIED-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP [NH3+]C[C@H](NC(=O)[C@H]1CSC[NH2+]1)C1CCCC1 ZINC000333579066 387043606 /nfs/dbraw/zinc/04/36/06/387043606.db2.gz NLQVBORDZQATQM-VHSXEESVSA-N 2 1 243.376 0.283 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000648108008 387051735 /nfs/dbraw/zinc/05/17/35/387051735.db2.gz LGPUMLHALRWNFM-NNYUYHANSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)N1CCC[C@H]([N@H+](C)C2CC([NH3+])C2)C1=O ZINC000334969251 387052397 /nfs/dbraw/zinc/05/23/97/387052397.db2.gz AZKIDNOYWBYIPQ-MCIGGMRASA-N 2 1 239.363 0.807 20 0 BCADMP CC(C)N1CCC[C@H]([N@@H+](C)C2CC([NH3+])C2)C1=O ZINC000334969251 387052402 /nfs/dbraw/zinc/05/24/02/387052402.db2.gz AZKIDNOYWBYIPQ-MCIGGMRASA-N 2 1 239.363 0.807 20 0 BCADMP COCC[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313388942 387053126 /nfs/dbraw/zinc/05/31/26/387053126.db2.gz LWLHCIULHGENBD-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430946364 387057776 /nfs/dbraw/zinc/05/77/76/387057776.db2.gz AICONLJMCCQAFY-NSHDSACASA-N 2 1 225.336 0.135 20 0 BCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430946364 387057785 /nfs/dbraw/zinc/05/77/85/387057785.db2.gz AICONLJMCCQAFY-NSHDSACASA-N 2 1 225.336 0.135 20 0 BCADMP C[C@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000228058603 387064047 /nfs/dbraw/zinc/06/40/47/387064047.db2.gz HKHRDHDGUACDAV-PWSUYJOCSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]([NH2+]CCC(N)=O)C1=CC[N@@H+](C)CC1 ZINC000519144222 387019667 /nfs/dbraw/zinc/01/96/67/387019667.db2.gz SYSLBKCUCTXKCP-SECBINFHSA-N 2 1 211.309 0.102 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000368927384 387020266 /nfs/dbraw/zinc/02/02/66/387020266.db2.gz RPDNAKYDBKZYPJ-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000368927384 387020270 /nfs/dbraw/zinc/02/02/70/387020270.db2.gz RPDNAKYDBKZYPJ-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648105651 387025724 /nfs/dbraw/zinc/02/57/24/387025724.db2.gz PAUZPEHVNUMZHC-DDHJBXDOSA-N 2 1 239.363 0.522 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000648105906 387028808 /nfs/dbraw/zinc/02/88/08/387028808.db2.gz GMEOCNKUFSVOIW-LBPRGKRZSA-N 2 1 249.314 0.031 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@H]1CCCC[NH2+]1 ZINC000333346466 387029904 /nfs/dbraw/zinc/02/99/04/387029904.db2.gz ZIGXACVIHGGJSJ-IJLUTSLNSA-N 2 1 249.362 0.713 20 0 BCADMP COC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359224904 387069085 /nfs/dbraw/zinc/06/90/85/387069085.db2.gz TZLWYMMYTHKKOX-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@H](CO)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766763 387070219 /nfs/dbraw/zinc/07/02/19/387070219.db2.gz OROGFPDSAAVXBO-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H](CO)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766763 387070222 /nfs/dbraw/zinc/07/02/22/387070222.db2.gz OROGFPDSAAVXBO-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000111380502 387077848 /nfs/dbraw/zinc/07/78/48/387077848.db2.gz ZOZGGHDFRHCYHN-LBPRGKRZSA-N 2 1 239.363 0.812 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000111380502 387077851 /nfs/dbraw/zinc/07/78/51/387077851.db2.gz ZOZGGHDFRHCYHN-LBPRGKRZSA-N 2 1 239.363 0.812 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695676 387084227 /nfs/dbraw/zinc/08/42/27/387084227.db2.gz PZTHTAFKXGNQHA-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695676 387084230 /nfs/dbraw/zinc/08/42/30/387084230.db2.gz PZTHTAFKXGNQHA-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000417426339 387085426 /nfs/dbraw/zinc/08/54/26/387085426.db2.gz GFRCOLWADUNQQZ-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000417426341 387085579 /nfs/dbraw/zinc/08/55/79/387085579.db2.gz GFRCOLWADUNQQZ-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+](CCNC(=O)CCC[NH3+])C1CCCC1 ZINC000070946131 387086190 /nfs/dbraw/zinc/08/61/90/387086190.db2.gz RRLZSJMPYIFZQT-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000071378424 387101619 /nfs/dbraw/zinc/10/16/19/387101619.db2.gz YLRDMICILQVRAD-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOC1 ZINC000228662164 387103986 /nfs/dbraw/zinc/10/39/86/387103986.db2.gz NQTRJQNIMDKNRJ-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370304257 387106173 /nfs/dbraw/zinc/10/61/73/387106173.db2.gz XKWDHAUCPGLCGX-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193395637 387117298 /nfs/dbraw/zinc/11/72/98/387117298.db2.gz OHFODIOHADNRQW-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC000336766738 387118917 /nfs/dbraw/zinc/11/89/17/387118917.db2.gz SJJHWGSTVGWPCR-NOOOWODRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC000336766738 387118921 /nfs/dbraw/zinc/11/89/21/387118921.db2.gz SJJHWGSTVGWPCR-NOOOWODRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336286714 387120536 /nfs/dbraw/zinc/12/05/36/387120536.db2.gz JCZBBWRZUGMKOQ-SCZZXKLOSA-N 2 1 211.309 0.029 20 0 BCADMP CN(CC[N@H+](C)CCn1ccnc1)C1CC1 ZINC000186765738 387132338 /nfs/dbraw/zinc/13/23/38/387132338.db2.gz VOPBESIOGHMFNO-UHFFFAOYSA-N 2 1 222.336 0.909 20 0 BCADMP CN(CC[N@@H+](C)CCn1ccnc1)C1CC1 ZINC000186765738 387132339 /nfs/dbraw/zinc/13/23/39/387132339.db2.gz VOPBESIOGHMFNO-UHFFFAOYSA-N 2 1 222.336 0.909 20 0 BCADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423299715 387128785 /nfs/dbraw/zinc/12/87/85/387128785.db2.gz QMXXUDPJXFZRCC-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423305683 387142137 /nfs/dbraw/zinc/14/21/37/387142137.db2.gz CCOPLZGMONJLBC-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP CCC[NH2+]CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000423307296 387142615 /nfs/dbraw/zinc/14/26/15/387142615.db2.gz GRCVLWCYOYKYSJ-LLVKDONJSA-N 2 1 239.367 0.991 20 0 BCADMP CCC[NH2+]CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423309301 387145735 /nfs/dbraw/zinc/14/57/35/387145735.db2.gz KWRCIRFUYMBQDQ-SNVBAGLBSA-N 2 1 227.352 0.633 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353391857 387192683 /nfs/dbraw/zinc/19/26/83/387192683.db2.gz DXKOAFQLPHJZEO-DDHJBXDOSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062887208 387176141 /nfs/dbraw/zinc/17/61/41/387176141.db2.gz FUYXKNYOSFFCOB-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062889605 387177662 /nfs/dbraw/zinc/17/76/62/387177662.db2.gz NLUQRDAWXDYXTK-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+][C@@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000571820547 387177711 /nfs/dbraw/zinc/17/77/11/387177711.db2.gz SHHDFDHAOORRAL-QMMMGPOBSA-N 2 1 222.292 0.694 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261762 387184714 /nfs/dbraw/zinc/18/47/14/387184714.db2.gz CRMCSGUUJVWIQA-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942811 387187086 /nfs/dbraw/zinc/18/70/86/387187086.db2.gz YTHSOZORAFRGBW-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH2+]CCOC)C1 ZINC000423343895 387192141 /nfs/dbraw/zinc/19/21/41/387192141.db2.gz WJPNAXWEDLZHCA-NWDGAFQWSA-N 2 1 229.368 0.152 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NCC2([NH3+])CCC2)C1 ZINC000423343143 387192178 /nfs/dbraw/zinc/19/21/78/387192178.db2.gz ZGGVVLOOXYHLQN-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000423343143 387192182 /nfs/dbraw/zinc/19/21/82/387192182.db2.gz ZGGVVLOOXYHLQN-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000643494826 387137582 /nfs/dbraw/zinc/13/75/82/387137582.db2.gz LVVUTJBDGJDVDQ-UTUOFQBUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1CCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000643494827 387138742 /nfs/dbraw/zinc/13/87/42/387138742.db2.gz LVVUTJBDGJDVDQ-WOPDTQHZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](C[NH3+])CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423305006 387138985 /nfs/dbraw/zinc/13/89/85/387138985.db2.gz ZXECVMNEDAPHCW-VWYCJHECSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423305006 387138987 /nfs/dbraw/zinc/13/89/87/387138987.db2.gz ZXECVMNEDAPHCW-VWYCJHECSA-N 2 1 211.353 0.796 20 0 BCADMP O=C1NCC[C@@H]1N1CCC(c2c[nH]cn2)CC1 ZINC000336315468 387141194 /nfs/dbraw/zinc/14/11/94/387141194.db2.gz LNKBEHVOSNDYAN-NSHDSACASA-N 2 1 234.303 0.478 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336374080 387206026 /nfs/dbraw/zinc/20/60/26/387206026.db2.gz ZEUUCFWOENTPEN-CHWSQXEVSA-N 3 1 223.364 0.527 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336374080 387206030 /nfs/dbraw/zinc/20/60/30/387206030.db2.gz ZEUUCFWOENTPEN-CHWSQXEVSA-N 2 1 223.364 0.527 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418200446 387211587 /nfs/dbraw/zinc/21/15/87/387211587.db2.gz QDVVHUWTXIGOPL-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000418200444 387212768 /nfs/dbraw/zinc/21/27/68/387212768.db2.gz QDVVHUWTXIGOPL-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH3+] ZINC000572015995 387214304 /nfs/dbraw/zinc/21/43/04/387214304.db2.gz ZORFQDQTPOVSSP-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418210280 387222551 /nfs/dbraw/zinc/22/25/51/387222551.db2.gz XLMGEEZJSWRGGU-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H](C)C[NH3+] ZINC000423326310 387228838 /nfs/dbraw/zinc/22/88/38/387228838.db2.gz MMZKQGFCDHYBNR-GHMZBOCLSA-N 2 1 210.325 0.845 20 0 BCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)CC(F)(F)C[NH3+] ZINC000572130207 387233602 /nfs/dbraw/zinc/23/36/02/387233602.db2.gz XAKLIXOMTCDWAK-VIFPVBQESA-N 2 1 249.305 0.523 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000572102397 387234546 /nfs/dbraw/zinc/23/45/46/387234546.db2.gz QMIVHCNECGVNCI-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406847 387243455 /nfs/dbraw/zinc/24/34/55/387243455.db2.gz VEBNLCBNETVXPI-WUHRBBMRSA-N 2 1 225.380 0.914 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406847 387243459 /nfs/dbraw/zinc/24/34/59/387243459.db2.gz VEBNLCBNETVXPI-WUHRBBMRSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410903 387245115 /nfs/dbraw/zinc/24/51/15/387245115.db2.gz ARAAPPVANLOZFR-OPDFLTKYSA-N 2 1 249.358 0.434 20 0 BCADMP COC[C@]1(C[NH2+][C@@H](C)CCCC[NH3+])CCCN1 ZINC000423412582 387246993 /nfs/dbraw/zinc/24/69/93/387246993.db2.gz IAZBOLVDMFEBHB-QWHCGFSZSA-N 2 1 243.395 0.862 20 0 BCADMP COC[C@]1(CN[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412582 387246994 /nfs/dbraw/zinc/24/69/94/387246994.db2.gz IAZBOLVDMFEBHB-QWHCGFSZSA-N 2 1 243.395 0.862 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@H+]1C1CC1 ZINC000423419714 387249463 /nfs/dbraw/zinc/24/94/63/387249463.db2.gz AMHVNOFOUKLEGO-BIAAXOCRSA-N 2 1 249.358 0.480 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423767 387250162 /nfs/dbraw/zinc/25/01/62/387250162.db2.gz FDPRGHHYEZFOEX-WSLQDRLSSA-N 2 1 221.348 0.277 20 0 BCADMP COC[C@]1(C[NH2+][C@H](C)[C@H]2CCCO2)CCC[NH2+]1 ZINC000423422869 387250310 /nfs/dbraw/zinc/25/03/10/387250310.db2.gz ZIZCFOBBZGDCQN-JHJVBQTASA-N 2 1 242.363 0.912 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NCC(F)(F)C[NH3+] ZINC000423349410 387200808 /nfs/dbraw/zinc/20/08/08/387200808.db2.gz WNRUDNSHAMPYHX-DTWKUNHWSA-N 2 1 221.295 0.688 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000423467330 387315134 /nfs/dbraw/zinc/31/51/34/387315134.db2.gz DQICVUHWZGEZHE-GARJFASQSA-N 2 1 247.333 0.913 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000423467331 387315209 /nfs/dbraw/zinc/31/52/09/387315209.db2.gz DQICVUHWZGEZHE-HBNTYKKESA-N 2 1 247.333 0.913 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423374635 387255039 /nfs/dbraw/zinc/25/50/39/387255039.db2.gz COHXIJRFANOYCP-ZJUUUORDSA-N 2 1 227.352 0.631 20 0 BCADMP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[N@@H+](C)C1CC1 ZINC000188166902 387256692 /nfs/dbraw/zinc/25/66/92/387256692.db2.gz RZNKXWHRCZUNTB-VIFPVBQESA-N 2 1 248.330 0.876 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378693 387259005 /nfs/dbraw/zinc/25/90/05/387259005.db2.gz MPMAIXKTOGJIHO-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378773 387260045 /nfs/dbraw/zinc/26/00/45/387260045.db2.gz ZVFUBLCUTNALFJ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378773 387260047 /nfs/dbraw/zinc/26/00/47/387260047.db2.gz ZVFUBLCUTNALFJ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423379218 387260607 /nfs/dbraw/zinc/26/06/07/387260607.db2.gz MQOIIVXBHODTLL-QCNOEVLYSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423379218 387260611 /nfs/dbraw/zinc/26/06/11/387260611.db2.gz MQOIIVXBHODTLL-QCNOEVLYSA-N 2 1 211.353 0.667 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000520825063 387274732 /nfs/dbraw/zinc/27/47/32/387274732.db2.gz UGKIEHJAGHJDMC-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000643498949 387276952 /nfs/dbraw/zinc/27/69/52/387276952.db2.gz ZSCLVFMNUXPRJV-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000643498949 387276953 /nfs/dbraw/zinc/27/69/53/387276953.db2.gz ZSCLVFMNUXPRJV-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000643498949 387276956 /nfs/dbraw/zinc/27/69/56/387276956.db2.gz ZSCLVFMNUXPRJV-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000572247063 387278808 /nfs/dbraw/zinc/27/88/08/387278808.db2.gz SVCHIPOKHKJNFS-LLVKDONJSA-N 2 1 235.335 0.402 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000572247063 387278813 /nfs/dbraw/zinc/27/88/13/387278813.db2.gz SVCHIPOKHKJNFS-LLVKDONJSA-N 2 1 235.335 0.402 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000423433220 387284015 /nfs/dbraw/zinc/28/40/15/387284015.db2.gz NCPKVIXYANOAAO-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[NH2+]1 ZINC000400356291 387284964 /nfs/dbraw/zinc/28/49/64/387284964.db2.gz APNKZGOWMWJQEZ-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP COC[C@]1(CN[C@@H]2C[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423439194 387288027 /nfs/dbraw/zinc/28/80/27/387288027.db2.gz VIUZVQNTCSIUOP-JHJVBQTASA-N 2 1 241.379 0.295 20 0 BCADMP COC[C@]1(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439197 387288829 /nfs/dbraw/zinc/28/88/29/387288829.db2.gz VIUZVQNTCSIUOP-YNEHKIRRSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423450567 387300576 /nfs/dbraw/zinc/30/05/76/387300576.db2.gz FDPRGHHYEZFOEX-AHRFKUBPSA-N 2 1 221.348 0.277 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258848041 387303338 /nfs/dbraw/zinc/30/33/38/387303338.db2.gz QWGDSSYVSLZVMQ-WDEREUQCSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@@H]1C ZINC000423524176 387355695 /nfs/dbraw/zinc/35/56/95/387355695.db2.gz SQHZNJADHYQLBM-KKOKHZNYSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502087 387356607 /nfs/dbraw/zinc/35/66/07/387356607.db2.gz XFFOKQRVZSBIKP-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)[C@@H](C(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH3+] ZINC000423540346 387365630 /nfs/dbraw/zinc/36/56/30/387365630.db2.gz JTTXKIRKTHLJMQ-JGVFFNPUSA-N 2 1 237.294 0.316 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000423554197 387372919 /nfs/dbraw/zinc/37/29/19/387372919.db2.gz LKRNSWLWSGEORK-YPMHNXCESA-N 2 1 241.379 0.485 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000423554195 387373164 /nfs/dbraw/zinc/37/31/64/387373164.db2.gz LKRNSWLWSGEORK-WCQYABFASA-N 2 1 241.379 0.485 20 0 BCADMP COCC[N@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423570874 387379891 /nfs/dbraw/zinc/37/98/91/387379891.db2.gz XGTATZQUBHACBO-CYBMUJFWSA-N 2 1 241.379 0.439 20 0 BCADMP COCCN1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423570874 387379894 /nfs/dbraw/zinc/37/98/94/387379894.db2.gz XGTATZQUBHACBO-CYBMUJFWSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000354156108 387338317 /nfs/dbraw/zinc/33/83/17/387338317.db2.gz VPSKSYROLJBGEQ-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423502765 387343783 /nfs/dbraw/zinc/34/37/83/387343783.db2.gz FIRKYFSRZYXFPZ-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000515223184 387347965 /nfs/dbraw/zinc/34/79/65/387347965.db2.gz JMQLBSCSWFHZNL-MNOVXSKESA-N 2 1 242.367 0.317 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374157923 387426467 /nfs/dbraw/zinc/42/64/67/387426467.db2.gz GPQWTKCHCYRUBS-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000374157923 387426470 /nfs/dbraw/zinc/42/64/70/387426470.db2.gz GPQWTKCHCYRUBS-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000374157923 387426473 /nfs/dbraw/zinc/42/64/73/387426473.db2.gz GPQWTKCHCYRUBS-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP c1ncn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000374188448 387429782 /nfs/dbraw/zinc/42/97/82/387429782.db2.gz WYWMVENXWXUVRB-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP c1ncn(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000374188448 387429786 /nfs/dbraw/zinc/42/97/86/387429786.db2.gz WYWMVENXWXUVRB-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423842257 387433894 /nfs/dbraw/zinc/43/38/94/387433894.db2.gz GZYXNJKSJJUWLH-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837566 387434729 /nfs/dbraw/zinc/43/47/29/387434729.db2.gz AOPWKGNJTWYTTQ-JTQLQIEISA-N 2 1 227.352 0.395 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423850560 387437931 /nfs/dbraw/zinc/43/79/31/387437931.db2.gz QIHDNEKMKNRVGN-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]CCCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423850992 387449624 /nfs/dbraw/zinc/44/96/24/387449624.db2.gz QYEQKPKMQOUDEO-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000354985263 387458967 /nfs/dbraw/zinc/45/89/67/387458967.db2.gz SAEMJKADUYFSEO-CHWSQXEVSA-N 2 1 242.363 0.864 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423967927 387460638 /nfs/dbraw/zinc/46/06/38/387460638.db2.gz TXIRVTKSPLZCFO-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000423769238 387419117 /nfs/dbraw/zinc/41/91/17/387419117.db2.gz GAZDSRMHUALZBO-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH3+] ZINC000423766112 387419183 /nfs/dbraw/zinc/41/91/83/387419183.db2.gz CHKXWYRLLGECHH-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP C[C@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474905 387496266 /nfs/dbraw/zinc/49/62/66/387496266.db2.gz MDAMZZNTSZATSU-WUHRBBMRSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474905 387496271 /nfs/dbraw/zinc/49/62/71/387496271.db2.gz MDAMZZNTSZATSU-WUHRBBMRSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304648804 387498915 /nfs/dbraw/zinc/49/89/15/387498915.db2.gz YCDHOIQHHSSEFQ-PWSUYJOCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304648804 387498920 /nfs/dbraw/zinc/49/89/20/387498920.db2.gz YCDHOIQHHSSEFQ-PWSUYJOCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304648808 387499669 /nfs/dbraw/zinc/49/96/69/387499669.db2.gz YCDHOIQHHSSEFQ-ZYHUDNBSSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304648808 387499673 /nfs/dbraw/zinc/49/96/73/387499673.db2.gz YCDHOIQHHSSEFQ-ZYHUDNBSSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(CCOC)C1 ZINC000514680529 387543036 /nfs/dbraw/zinc/54/30/36/387543036.db2.gz ZFYKOHDKGLJTPW-LBPRGKRZSA-N 2 1 244.379 0.657 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375257529 387518001 /nfs/dbraw/zinc/51/80/01/387518001.db2.gz YUQQSHLVEVOXSE-CNDDSTCGSA-N 2 1 239.363 0.807 20 0 BCADMP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000300129811 387518422 /nfs/dbraw/zinc/51/84/22/387518422.db2.gz ADBNJBKMMCRFDJ-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000424016062 387465668 /nfs/dbraw/zinc/46/56/68/387465668.db2.gz BBOGDXFGXBTXEF-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H](C(=O)N(C)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000424010532 387466573 /nfs/dbraw/zinc/46/65/73/387466573.db2.gz OLJQBKYLJNZHEN-LBPRGKRZSA-N 2 1 249.358 0.924 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507197 387476185 /nfs/dbraw/zinc/47/61/85/387476185.db2.gz VNVFJIJJSVVZSB-MFKMUULPSA-N 2 1 223.364 0.811 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426686565 387585931 /nfs/dbraw/zinc/58/59/31/387585931.db2.gz GAOZNKKHGVPZTD-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424127488 387603237 /nfs/dbraw/zinc/60/32/37/387603237.db2.gz DIZSPGFFGBWDQA-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422603798 387606089 /nfs/dbraw/zinc/60/60/89/387606089.db2.gz ADFSFYYMYVYADX-QWRGUYRKSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422614450 387606964 /nfs/dbraw/zinc/60/69/64/387606964.db2.gz YQVCKGUWZKYXKO-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CCOC(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632966 387611302 /nfs/dbraw/zinc/61/13/02/387611302.db2.gz HMKJJZFIYIXXOO-UHFFFAOYSA-N 2 1 226.320 0.768 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@](C)(CN)C1CC1 ZINC000430591769 387629423 /nfs/dbraw/zinc/62/94/23/387629423.db2.gz BRQRSHBUCQHGFL-CYBMUJFWSA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCC[NH2+]1 ZINC000422712459 387626037 /nfs/dbraw/zinc/62/60/37/387626037.db2.gz OFWPOYOYJJVPQS-SRVKXCTJSA-N 2 1 228.336 0.522 20 0 BCADMP CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000422038867 387545161 /nfs/dbraw/zinc/54/51/61/387545161.db2.gz QSDGLYUZQHBILJ-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430548922 387627348 /nfs/dbraw/zinc/62/73/48/387627348.db2.gz WUAIPDQYVWJHAH-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000399626341 387564172 /nfs/dbraw/zinc/56/41/72/387564172.db2.gz DREROQHYDLTPDK-CMPLNLGQSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305688377 387627634 /nfs/dbraw/zinc/62/76/34/387627634.db2.gz QSDGZZGQADSNHY-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375723335 387574954 /nfs/dbraw/zinc/57/49/54/387574954.db2.gz PEULXZVUCNJAJA-MXWKQRLJSA-N 2 1 226.320 0.289 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H](C)C[NH+](C)C)C1CC1 ZINC000355752082 387577412 /nfs/dbraw/zinc/57/74/12/387577412.db2.gz ZTBAHBONCCSBRF-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@@](C)(CN)C1CC1 ZINC000430591771 387629814 /nfs/dbraw/zinc/62/98/14/387629814.db2.gz BRQRSHBUCQHGFL-ZDUSSCGKSA-N 2 1 239.363 0.572 20 0 BCADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000430606726 387633655 /nfs/dbraw/zinc/63/36/55/387633655.db2.gz AKLJNRUJKAJWQG-UHFFFAOYSA-N 2 1 248.330 0.113 20 0 BCADMP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725662 387635589 /nfs/dbraw/zinc/63/55/89/387635589.db2.gz YJTNVIZOFUKESZ-RYUDHWBXSA-N 3 1 225.380 0.916 20 0 BCADMP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725663 387636634 /nfs/dbraw/zinc/63/66/34/387636634.db2.gz YJTNVIZOFUKESZ-VXGBXAGGSA-N 3 1 225.380 0.916 20 0 BCADMP CC[C@@H](C(=O)NCC[N@@H+](CC)C1CC1)[NH+](C)C ZINC000125114711 387643006 /nfs/dbraw/zinc/64/30/06/387643006.db2.gz SEGCDRZHUDOBJK-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000430720833 387644688 /nfs/dbraw/zinc/64/46/88/387644688.db2.gz NJKMPBFNTLLDMI-LLVKDONJSA-N 2 1 248.330 0.528 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000430783608 387651206 /nfs/dbraw/zinc/65/12/06/387651206.db2.gz MZVHILXFVFFRAM-UWVGGRQHSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000430783609 387652289 /nfs/dbraw/zinc/65/22/89/387652289.db2.gz MZVHILXFVFFRAM-VHSXEESVSA-N 2 1 225.336 0.419 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)C[C@H]1C ZINC000430796236 387652489 /nfs/dbraw/zinc/65/24/89/387652489.db2.gz KBFMNTYSUZPYOJ-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000430802243 387653640 /nfs/dbraw/zinc/65/36/40/387653640.db2.gz KTNALVGEXCFZTA-GFCCVEGCSA-N 2 1 239.363 0.396 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000430802804 387654477 /nfs/dbraw/zinc/65/44/77/387654477.db2.gz OFXGRIOYBZKCSS-TUAOUCFPSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000362769641 387658077 /nfs/dbraw/zinc/65/80/77/387658077.db2.gz NCCKYKRGZWIMEP-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362769641 387658082 /nfs/dbraw/zinc/65/80/82/387658082.db2.gz NCCKYKRGZWIMEP-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362769641 387658088 /nfs/dbraw/zinc/65/80/88/387658088.db2.gz NCCKYKRGZWIMEP-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430899587 387658765 /nfs/dbraw/zinc/65/87/65/387658765.db2.gz MECWOTGCYAKNGR-ONGXEEELSA-N 2 1 225.336 0.419 20 0 BCADMP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430917059 387660332 /nfs/dbraw/zinc/66/03/32/387660332.db2.gz JBGUGDACUZUKNM-SNVBAGLBSA-N 2 1 241.360 0.499 20 0 BCADMP Cc1csc(=O)n1CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430917059 387660338 /nfs/dbraw/zinc/66/03/38/387660338.db2.gz JBGUGDACUZUKNM-SNVBAGLBSA-N 2 1 241.360 0.499 20 0 BCADMP C[C@@H]1C[N@@H+](CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919575 387661124 /nfs/dbraw/zinc/66/11/24/387661124.db2.gz LRJNCNGQJAOXFF-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932885 387663896 /nfs/dbraw/zinc/66/38/96/387663896.db2.gz GRRUMFLVXGIYCF-IJLUTSLNSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932885 387663900 /nfs/dbraw/zinc/66/39/00/387663900.db2.gz GRRUMFLVXGIYCF-IJLUTSLNSA-N 2 1 239.363 0.665 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968665 387664633 /nfs/dbraw/zinc/66/46/33/387664633.db2.gz ATTUKYNWUPOYQR-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424137959 387667410 /nfs/dbraw/zinc/66/74/10/387667410.db2.gz CQJOTKRCHNQRGG-WYUUTHIRSA-N 2 1 239.363 0.522 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424137956 387667464 /nfs/dbraw/zinc/66/74/64/387667464.db2.gz CQJOTKRCHNQRGG-USZNOCQGSA-N 2 1 239.363 0.522 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305966089 387668394 /nfs/dbraw/zinc/66/83/94/387668394.db2.gz XUJIOXPHUDYDNB-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])C[N@H+]1C1CC1 ZINC000431027954 387669526 /nfs/dbraw/zinc/66/95/26/387669526.db2.gz ZPAHDVCCEIZOHM-VHSXEESVSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])C[N@H+]1C1CC1 ZINC000431027953 387671080 /nfs/dbraw/zinc/67/10/80/387671080.db2.gz ZPAHDVCCEIZOHM-UWVGGRQHSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422780040 387678052 /nfs/dbraw/zinc/67/80/52/387678052.db2.gz JQYBMPXTTVPWFO-GRYCIOLGSA-N 2 1 214.353 0.981 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377739768 387747310 /nfs/dbraw/zinc/74/73/10/387747310.db2.gz BPQSCDIRBPWXKG-RYUDHWBXSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000422871528 387749656 /nfs/dbraw/zinc/74/96/56/387749656.db2.gz DABCFPYVAVJJSH-SCVCMEIPSA-N 2 1 209.337 0.421 20 0 BCADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000441374704 387754658 /nfs/dbraw/zinc/75/46/58/387754658.db2.gz GOGNIYJNGLTYPB-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000441374704 387754662 /nfs/dbraw/zinc/75/46/62/387754662.db2.gz GOGNIYJNGLTYPB-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127034966 387702664 /nfs/dbraw/zinc/70/26/64/387702664.db2.gz CCGDZFOOOKSKRW-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422801810 387703027 /nfs/dbraw/zinc/70/30/27/387703027.db2.gz AQLFUHMSHFTCML-NEPJUHHUSA-N 2 1 211.353 0.942 20 0 BCADMP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367811728 387755234 /nfs/dbraw/zinc/75/52/34/387755234.db2.gz VJVQCEKBSSDBPS-XQQFMLRXSA-N 2 1 249.358 0.149 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142006 387720473 /nfs/dbraw/zinc/72/04/73/387720473.db2.gz HQBLYCIDLXBQOU-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424142523 387732771 /nfs/dbraw/zinc/73/27/71/387732771.db2.gz YKHXNEBCUBMROU-CHWFTXMASA-N 2 1 223.320 0.077 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852229 387738005 /nfs/dbraw/zinc/73/80/05/387738005.db2.gz XSDVHFYMTWFICM-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852227 387738834 /nfs/dbraw/zinc/73/88/34/387738834.db2.gz XSDVHFYMTWFICM-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892903 387762263 /nfs/dbraw/zinc/76/22/63/387762263.db2.gz ZSDWLCWJDGTOBS-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129282265 387766337 /nfs/dbraw/zinc/76/63/37/387766337.db2.gz MHYKSFJBTOZOCN-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]1 ZINC000422897771 387766767 /nfs/dbraw/zinc/76/67/67/387766767.db2.gz CSTRFOWYWHOWTK-IJLUTSLNSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000643529318 387777879 /nfs/dbraw/zinc/77/78/79/387777879.db2.gz YMGXPCQSPJZSGX-ZJUUUORDSA-N 2 1 246.318 0.660 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422927713 387779160 /nfs/dbraw/zinc/77/91/60/387779160.db2.gz ZWNUTWATGFDFEH-SRVKXCTJSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)CC[N@H+]1C ZINC000527958149 387785319 /nfs/dbraw/zinc/78/53/19/387785319.db2.gz UZGDUKBZNPFVMZ-NDBYEHHHSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000157355378 387787908 /nfs/dbraw/zinc/78/79/08/387787908.db2.gz AHLIZCMHGWHKRJ-AEJSXWLSSA-N 2 1 213.325 0.132 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422979067 387788187 /nfs/dbraw/zinc/78/81/87/387788187.db2.gz LEQAHFRMEQAKLF-SRVKXCTJSA-N 2 1 230.352 0.362 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422981226 387791043 /nfs/dbraw/zinc/79/10/43/387791043.db2.gz SIHODQYCDHWVOF-FRRDWIJNSA-N 2 1 244.379 0.894 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424151602 387793166 /nfs/dbraw/zinc/79/31/66/387793166.db2.gz IBUQLLWTKURFTJ-KXNHARMFSA-N 2 1 237.347 0.419 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422981840 387794275 /nfs/dbraw/zinc/79/42/75/387794275.db2.gz UOVGMJRKYYGHKT-XWLWVQCSSA-N 2 1 232.393 0.686 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422982916 387794400 /nfs/dbraw/zinc/79/44/00/387794400.db2.gz YEFAKYWGYIPQPM-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990240 387800859 /nfs/dbraw/zinc/80/08/59/387800859.db2.gz MYZUIOXGLABICH-NOOOWODRSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990242 387801087 /nfs/dbraw/zinc/80/10/87/387801087.db2.gz MYZUIOXGLABICH-WISYIIOYSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@H]([NH3+])CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000442650374 387811682 /nfs/dbraw/zinc/81/16/82/387811682.db2.gz PBLDIFYHPHFPFH-QWHCGFSZSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@H]([NH3+])CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000442665723 387819809 /nfs/dbraw/zinc/81/98/09/387819809.db2.gz NPQJSBUAYJELLR-LBPRGKRZSA-N 2 1 249.358 0.857 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1CCCC[NH2+]1 ZINC000422973583 387823324 /nfs/dbraw/zinc/82/33/24/387823324.db2.gz CDAMGGJCKPPXAC-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCSCCCO ZINC000422973940 387824275 /nfs/dbraw/zinc/82/42/75/387824275.db2.gz CYNMDFLXZWLCBP-WDEREUQCSA-N 2 1 232.393 0.690 20 0 BCADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000643459010 387831147 /nfs/dbraw/zinc/83/11/47/387831147.db2.gz DIJFFDUEOXYSNW-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423009385 387831949 /nfs/dbraw/zinc/83/19/49/387831949.db2.gz VLDNOPBFRUPJST-TUAOUCFPSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1COC1 ZINC000528026868 387832265 /nfs/dbraw/zinc/83/22/65/387832265.db2.gz REUAJOCJXHCRLE-SCVCMEIPSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000442759050 387834573 /nfs/dbraw/zinc/83/45/73/387834573.db2.gz JYAGQVVIDMCQKG-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC1CC1 ZINC000442759050 387834580 /nfs/dbraw/zinc/83/45/80/387834580.db2.gz JYAGQVVIDMCQKG-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000442759048 387835736 /nfs/dbraw/zinc/83/57/36/387835736.db2.gz JYAGQVVIDMCQKG-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC1CC1 ZINC000442759048 387835738 /nfs/dbraw/zinc/83/57/38/387835738.db2.gz JYAGQVVIDMCQKG-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCCC1=O ZINC000442774853 387836655 /nfs/dbraw/zinc/83/66/55/387836655.db2.gz DNIWCFIUNNGXTD-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H](C(N)=O)c1ccccc1 ZINC000442784370 387838429 /nfs/dbraw/zinc/83/84/29/387838429.db2.gz VTHGJKYSSIVNJY-NTZNESFSSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H](C(N)=O)c1ccccc1 ZINC000442784370 387838432 /nfs/dbraw/zinc/83/84/32/387838432.db2.gz VTHGJKYSSIVNJY-NTZNESFSSA-N 2 1 247.342 0.882 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423015043 387838975 /nfs/dbraw/zinc/83/89/75/387838975.db2.gz QFYIXEAIFWMESP-NWDGAFQWSA-N 2 1 241.379 0.736 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000442789399 387840900 /nfs/dbraw/zinc/84/09/00/387840900.db2.gz ZDJJHNMMPUEHIM-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000442789394 387841600 /nfs/dbraw/zinc/84/16/00/387841600.db2.gz ZDJJHNMMPUEHIM-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442794564 387842379 /nfs/dbraw/zinc/84/23/79/387842379.db2.gz TZBCZGSHPODVQO-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CCNC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075740 387873770 /nfs/dbraw/zinc/87/37/70/387873770.db2.gz XSYFXSVQYJSBMQ-VXGBXAGGSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423028573 387846832 /nfs/dbraw/zinc/84/68/32/387846832.db2.gz GSMKACKPQWNZIE-VPOLOUISSA-N 2 1 200.326 0.733 20 0 BCADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033441 387849708 /nfs/dbraw/zinc/84/97/08/387849708.db2.gz GRQNZEXYXHDOEF-FRRDWIJNSA-N 2 1 241.379 0.173 20 0 BCADMP CC[NH+](CC)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193610516 387859863 /nfs/dbraw/zinc/85/98/63/387859863.db2.gz CKXLGPYNVMHITK-BETUJISGSA-N 2 1 225.380 0.822 20 0 BCADMP CC(C)CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193658049 387860287 /nfs/dbraw/zinc/86/02/87/387860287.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000423074320 387874622 /nfs/dbraw/zinc/87/46/22/387874622.db2.gz UNQJKNAKTOZMGL-KXNHARMFSA-N 2 1 212.337 0.735 20 0 BCADMP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423065174 387866833 /nfs/dbraw/zinc/86/68/33/387866833.db2.gz AXEZJJDORZBODG-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP C[NH+](C)CCOCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423065174 387866838 /nfs/dbraw/zinc/86/68/38/387866838.db2.gz AXEZJJDORZBODG-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)COCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422969665 387818236 /nfs/dbraw/zinc/81/82/36/387818236.db2.gz DDABCXAEAXPYEO-UHTWSYAYSA-N 2 1 242.363 0.504 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181704 387897533 /nfs/dbraw/zinc/89/75/33/387897533.db2.gz RYKFVIFYEGHEGG-WYUUTHIRSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH+]1CCC1 ZINC000443971054 387879790 /nfs/dbraw/zinc/87/97/90/387879790.db2.gz KMPQTYJECKJWEV-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423086532 387880026 /nfs/dbraw/zinc/88/00/26/387880026.db2.gz MAGMQDKIMUBVHV-GMKTYKIGSA-N 2 1 242.363 0.647 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423086534 387881169 /nfs/dbraw/zinc/88/11/69/387881169.db2.gz MAGMQDKIMUBVHV-QCXCNERSSA-N 2 1 242.363 0.647 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745885 387884140 /nfs/dbraw/zinc/88/41/40/387884140.db2.gz UFUHYSQVJAAULN-SNVBAGLBSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000423095244 387885920 /nfs/dbraw/zinc/88/59/20/387885920.db2.gz LTDVYGBIVFBPTD-CHWSQXEVSA-N 2 1 223.364 0.836 20 0 BCADMP Cc1nccnc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423139672 387918763 /nfs/dbraw/zinc/91/87/63/387918763.db2.gz WFYHKMJYPOERER-ZWNOBZJWSA-N 2 1 234.347 0.915 20 0 BCADMP CC(=O)NCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000195026735 387902172 /nfs/dbraw/zinc/90/21/72/387902172.db2.gz SFIHZHNOPUWNNP-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)CC)[C@@H]1CCC[NH2+]1 ZINC000423132257 387909818 /nfs/dbraw/zinc/90/98/18/387909818.db2.gz PCOICTOSPPOROU-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444710935 387915236 /nfs/dbraw/zinc/91/52/36/387915236.db2.gz WDKWKCBUHFBNNQ-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423156965 387937273 /nfs/dbraw/zinc/93/72/73/387937273.db2.gz LUXYVHUNBLWSHA-WYUUTHIRSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423156963 387936794 /nfs/dbraw/zinc/93/67/94/387936794.db2.gz LUXYVHUNBLWSHA-WHOHXGKFSA-N 2 1 212.337 0.735 20 0 BCADMP COC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000237164959 387924580 /nfs/dbraw/zinc/92/45/80/387924580.db2.gz HTPNAKABNQRDER-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@H+]1CCO ZINC000423149578 387927858 /nfs/dbraw/zinc/92/78/58/387927858.db2.gz XUPNWBODHGOJFY-AVGNSLFASA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000423149578 387927862 /nfs/dbraw/zinc/92/78/62/387927862.db2.gz XUPNWBODHGOJFY-AVGNSLFASA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H](CCO)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423148780 387927905 /nfs/dbraw/zinc/92/79/05/387927905.db2.gz WMYCTBMBIZNCOY-TUAOUCFPSA-N 2 1 214.353 0.983 20 0 BCADMP COCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400457945 387955620 /nfs/dbraw/zinc/95/56/20/387955620.db2.gz QOHOTBFTTQMEDH-QJPTWQEYSA-N 2 1 230.352 0.768 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000156222960 387942624 /nfs/dbraw/zinc/94/26/24/387942624.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222960 387942631 /nfs/dbraw/zinc/94/26/31/387942631.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222960 387942636 /nfs/dbraw/zinc/94/26/36/387942636.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 2 1 243.395 0.637 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000158784275 387962877 /nfs/dbraw/zinc/96/28/77/387962877.db2.gz FZFFEUOCBCYWMG-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000158784275 387962879 /nfs/dbraw/zinc/96/28/79/387962879.db2.gz FZFFEUOCBCYWMG-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000158784275 387962882 /nfs/dbraw/zinc/96/28/82/387962882.db2.gz FZFFEUOCBCYWMG-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@@H]([NH2+]CC[NH3+])c1ccccc1-n1ccnn1 ZINC000423186902 387970841 /nfs/dbraw/zinc/97/08/41/387970841.db2.gz OOQXQGKEXKESAE-SNVBAGLBSA-N 2 1 231.303 0.877 20 0 BCADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH3+])C[C@H]1C ZINC000423195282 387979133 /nfs/dbraw/zinc/97/91/33/387979133.db2.gz ZFOUDIMLRMTLIK-OUAUKWLOSA-N 2 1 228.336 0.903 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196999 387981607 /nfs/dbraw/zinc/98/16/07/387981607.db2.gz XENIDKKPRFSLPM-WZRBSPASSA-N 2 1 223.364 0.811 20 0 BCADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423189180 387972980 /nfs/dbraw/zinc/97/29/80/387972980.db2.gz MRTYEZGPNSJSJA-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423189180 387972985 /nfs/dbraw/zinc/97/29/85/387972985.db2.gz MRTYEZGPNSJSJA-SRVKXCTJSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423189180 387972986 /nfs/dbraw/zinc/97/29/86/387972986.db2.gz MRTYEZGPNSJSJA-SRVKXCTJSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400511176 387985102 /nfs/dbraw/zinc/98/51/02/387985102.db2.gz FLXCCVAVLKCWPF-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000424375583 387998788 /nfs/dbraw/zinc/99/87/88/387998788.db2.gz KLYSDBZKQFKOJP-WDEREUQCSA-N 2 1 248.392 0.399 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000423217482 387999899 /nfs/dbraw/zinc/99/98/99/387999899.db2.gz UGOFLYPCPCCUEY-RWMBFGLXSA-N 2 1 225.380 0.916 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000423217482 387999905 /nfs/dbraw/zinc/99/99/05/387999905.db2.gz UGOFLYPCPCCUEY-RWMBFGLXSA-N 2 1 225.380 0.916 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217483 388000486 /nfs/dbraw/zinc/00/04/86/388000486.db2.gz UGOFLYPCPCCUEY-XQQFMLRXSA-N 2 1 225.380 0.916 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217483 388000490 /nfs/dbraw/zinc/00/04/90/388000490.db2.gz UGOFLYPCPCCUEY-XQQFMLRXSA-N 2 1 225.380 0.916 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423222209 388002810 /nfs/dbraw/zinc/00/28/10/388002810.db2.gz AFMOLAURXMYNRC-MXWKQRLJSA-N 2 1 212.337 0.999 20 0 BCADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423242925 388025515 /nfs/dbraw/zinc/02/55/15/388025515.db2.gz JQDKHFOXHBEUNR-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253196017 135123685 /nfs/dbraw/zinc/12/36/85/135123685.db2.gz SGHOMHGISUMJJO-GARJFASQSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250490 388033357 /nfs/dbraw/zinc/03/33/57/388033357.db2.gz QJIOSZOGKDGSFE-IJLUTSLNSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250491 388034004 /nfs/dbraw/zinc/03/40/04/388034004.db2.gz QJIOSZOGKDGSFE-UTUOFQBUSA-N 3 1 211.353 0.574 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423256201 388037137 /nfs/dbraw/zinc/03/71/37/388037137.db2.gz BMMSIJQCHRXKFI-CYZMBNFOSA-N 2 1 241.379 0.199 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000082645514 388038993 /nfs/dbraw/zinc/03/89/93/388038993.db2.gz ABSABHSCHMXMCO-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000082645514 388038996 /nfs/dbraw/zinc/03/89/96/388038996.db2.gz ABSABHSCHMXMCO-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423264008 388041605 /nfs/dbraw/zinc/04/16/05/388041605.db2.gz PLKBKJPOCPRKEL-KOLCDFICSA-N 2 1 227.352 0.748 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370172 388055885 /nfs/dbraw/zinc/05/58/85/388055885.db2.gz QPNJGTHSBWJSDV-LVEVGFFFSA-N 2 1 212.337 0.828 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277349 388058374 /nfs/dbraw/zinc/05/83/74/388058374.db2.gz PXLXMLBCRWYYSP-WOPDTQHZSA-N 2 1 213.369 0.772 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277349 388058377 /nfs/dbraw/zinc/05/83/77/388058377.db2.gz PXLXMLBCRWYYSP-WOPDTQHZSA-N 2 1 213.369 0.772 20 0 BCADMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083834690 388063210 /nfs/dbraw/zinc/06/32/10/388063210.db2.gz ZJVRBCNEHVFSTB-VIFPVBQESA-N 2 1 223.320 0.078 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423285274 388068506 /nfs/dbraw/zinc/06/85/06/388068506.db2.gz YZPUEHKUKQQGMF-TUAOUCFPSA-N 2 1 213.369 0.900 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH3+])C1CC1 ZINC000423285483 388069859 /nfs/dbraw/zinc/06/98/59/388069859.db2.gz YFXVYQBXCNSFPF-ICCXJUOJSA-N 2 1 223.364 0.796 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423285270 388069998 /nfs/dbraw/zinc/06/99/98/388069998.db2.gz YZPUEHKUKQQGMF-SDDRHHMPSA-N 2 1 213.369 0.900 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000085368460 388086263 /nfs/dbraw/zinc/08/62/63/388086263.db2.gz MOBNGBUJBDDESE-GRYCIOLGSA-N 2 1 237.347 0.420 20 0 BCADMP C(C[NH2+][C@@H]1CC[NH2+]C1)COC[C@@H]1CCCO1 ZINC000086725493 388107454 /nfs/dbraw/zinc/10/74/54/388107454.db2.gz VNUAOKGYJSQRNP-NEPJUHHUSA-N 2 1 228.336 0.524 20 0 BCADMP C(C[NH2+][C@@H]1CC[NH2+]C1)COC[C@H]1CCCO1 ZINC000086725490 388108161 /nfs/dbraw/zinc/10/81/61/388108161.db2.gz VNUAOKGYJSQRNP-VXGBXAGGSA-N 2 1 228.336 0.524 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086930500 388111396 /nfs/dbraw/zinc/11/13/96/388111396.db2.gz ILZJCSCUHIDZHP-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000646210407 388165224 /nfs/dbraw/zinc/16/52/24/388165224.db2.gz IVDITEBHJLRDHJ-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070708 388136716 /nfs/dbraw/zinc/13/67/16/388136716.db2.gz KTBMNYFTNPNLAK-QWRGUYRKSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000449078814 388140086 /nfs/dbraw/zinc/14/00/86/388140086.db2.gz YTYOOZCJEMZDLV-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000449124425 388145544 /nfs/dbraw/zinc/14/55/44/388145544.db2.gz QFXWPPXDJRRCNW-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000449124425 388145547 /nfs/dbraw/zinc/14/55/47/388145547.db2.gz QFXWPPXDJRRCNW-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661772 388249723 /nfs/dbraw/zinc/24/97/23/388249723.db2.gz DHOMPDGDQWLGNW-VIFPVBQESA-N 2 1 249.305 0.440 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166161614 388254426 /nfs/dbraw/zinc/25/44/26/388254426.db2.gz UEOLLFJSHKLSEK-JQWIXIFHSA-N 2 1 212.337 0.689 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449575389 388236657 /nfs/dbraw/zinc/23/66/57/388236657.db2.gz MFRHDZXTSQHAPD-CMPLNLGQSA-N 2 1 245.342 0.535 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCNC[C@](C)(F)C1 ZINC000449578129 388237068 /nfs/dbraw/zinc/23/70/68/388237068.db2.gz ZKOGKFQQHMTWBQ-LBPRGKRZSA-N 2 1 245.342 0.488 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449578129 388237072 /nfs/dbraw/zinc/23/70/72/388237072.db2.gz ZKOGKFQQHMTWBQ-LBPRGKRZSA-N 2 1 245.342 0.488 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576035 388237108 /nfs/dbraw/zinc/23/71/08/388237108.db2.gz PKYXEDRTNDNGDH-CKYFFXLPSA-N 2 1 243.326 0.002 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449599824 388239952 /nfs/dbraw/zinc/23/99/52/388239952.db2.gz HRVNKSKRYZKYNB-HBNTYKKESA-N 2 1 227.352 0.713 20 0 BCADMP COCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643313 388241860 /nfs/dbraw/zinc/24/18/60/388241860.db2.gz VRCWCNJNNQSDDA-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449623447 388244105 /nfs/dbraw/zinc/24/41/05/388244105.db2.gz LRRPFTUKRMLERJ-QMMMGPOBSA-N 2 1 237.294 0.425 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640439 388247756 /nfs/dbraw/zinc/24/77/56/388247756.db2.gz BFEPTCZBFJZUFS-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP O[C@@H](C[NH2+]CCOCCF)C[NH+]1CCCC1 ZINC000629585559 388283166 /nfs/dbraw/zinc/28/31/66/388283166.db2.gz WONAAIZELNVWEL-NSHDSACASA-N 2 1 234.315 0.019 20 0 BCADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163426506 388287677 /nfs/dbraw/zinc/28/76/77/388287677.db2.gz LXVFVWSVHNUJRP-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C\C[NH+](C)C ZINC000491883754 388326094 /nfs/dbraw/zinc/32/60/94/388326094.db2.gz LMIGQTQRNWMPAM-FOQNGQEVSA-N 2 1 239.363 0.514 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336368 388262508 /nfs/dbraw/zinc/26/25/08/388262508.db2.gz QAXLCNYODHNZRA-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953299 388269406 /nfs/dbraw/zinc/26/94/06/388269406.db2.gz ONGZMFVVHITJGL-JTQLQIEISA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646417776 388354425 /nfs/dbraw/zinc/35/44/25/388354425.db2.gz DSWVHMXNHDZWEW-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@@H+](CC1(CO)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261532520 135163209 /nfs/dbraw/zinc/16/32/09/135163209.db2.gz ALKJYJJZNKZZRM-LLVKDONJSA-N 2 1 212.337 0.690 20 0 BCADMP Nc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000309586625 388368348 /nfs/dbraw/zinc/36/83/48/388368348.db2.gz VYOMGIODBLQTGM-QMMMGPOBSA-N 2 1 226.349 0.896 20 0 BCADMP Nc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000309586625 388368350 /nfs/dbraw/zinc/36/83/50/388368350.db2.gz VYOMGIODBLQTGM-QMMMGPOBSA-N 2 1 226.349 0.896 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000524720920 388377170 /nfs/dbraw/zinc/37/71/70/388377170.db2.gz MTWXWQAXAWNALT-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000524720920 388377172 /nfs/dbraw/zinc/37/71/72/388377172.db2.gz MTWXWQAXAWNALT-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000524720920 388377175 /nfs/dbraw/zinc/37/71/75/388377175.db2.gz MTWXWQAXAWNALT-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557632 388381418 /nfs/dbraw/zinc/38/14/18/388381418.db2.gz BVWQLFONFGBDIL-LLVKDONJSA-N 2 1 237.347 0.363 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000646557632 388381419 /nfs/dbraw/zinc/38/14/19/388381419.db2.gz BVWQLFONFGBDIL-LLVKDONJSA-N 2 1 237.347 0.363 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236764495 388382938 /nfs/dbraw/zinc/38/29/38/388382938.db2.gz BCENZLDKVQAILS-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]C)C(C)C ZINC000236858122 388384668 /nfs/dbraw/zinc/38/46/68/388384668.db2.gz ADXLDNHFPWEDQI-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]CCOC)C(C)C ZINC000236858366 388385100 /nfs/dbraw/zinc/38/51/00/388385100.db2.gz IHZPPBXVBIBUIZ-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH+](C)C ZINC000646604828 388393647 /nfs/dbraw/zinc/39/36/47/388393647.db2.gz MZLVAYUVQUMEQU-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646620032 388395894 /nfs/dbraw/zinc/39/58/94/388395894.db2.gz OQPMCQTUWARHKZ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000237574989 388397165 /nfs/dbraw/zinc/39/71/65/388397165.db2.gz JGUPSTHVMZYOAH-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000492229702 388338701 /nfs/dbraw/zinc/33/87/01/388338701.db2.gz NPTZPTXQMDVNDW-ONGXEEELSA-N 2 1 241.335 0.367 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000492229702 388338702 /nfs/dbraw/zinc/33/87/02/388338702.db2.gz NPTZPTXQMDVNDW-ONGXEEELSA-N 2 1 241.335 0.367 20 0 BCADMP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000492284498 388340143 /nfs/dbraw/zinc/34/01/43/388340143.db2.gz RAHSVDGSTJLTLQ-JIVBQCDMSA-N 2 1 239.363 0.655 20 0 BCADMP COC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551809 388456323 /nfs/dbraw/zinc/45/63/23/388456323.db2.gz GELJUDBGEAYUOL-MXWKQRLJSA-N 2 1 226.320 0.479 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000514861409 388460336 /nfs/dbraw/zinc/46/03/36/388460336.db2.gz FQHUSWVSACSWAE-RWMBFGLXSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000514861407 388460499 /nfs/dbraw/zinc/46/04/99/388460499.db2.gz FQHUSWVSACSWAE-AVGNSLFASA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H]1[C@H](C(=O)Nc2ccncc2[O-])CC[N@@H+]1C ZINC000648842526 388465776 /nfs/dbraw/zinc/46/57/76/388465776.db2.gz AVAJKSIZMBFUEB-RKDXNWHRSA-N 2 1 235.287 0.488 20 0 BCADMP C[C@@H]1[C@H](C(=O)Nc2ccncc2[O-])CC[N@H+]1C ZINC000648842526 388465780 /nfs/dbraw/zinc/46/57/80/388465780.db2.gz AVAJKSIZMBFUEB-RKDXNWHRSA-N 2 1 235.287 0.488 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467456 /nfs/dbraw/zinc/46/74/56/388467456.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467459 /nfs/dbraw/zinc/46/74/59/388467459.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000397475944 388472518 /nfs/dbraw/zinc/47/25/18/388472518.db2.gz GTNLNXDPGPXDFD-GMTAPVOTSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnnn2C)C[C@H]1C[NH3+] ZINC000397475944 388472520 /nfs/dbraw/zinc/47/25/20/388472520.db2.gz GTNLNXDPGPXDFD-GMTAPVOTSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000397475947 388473268 /nfs/dbraw/zinc/47/32/68/388473268.db2.gz GTNLNXDPGPXDFD-VWYCJHECSA-N 2 1 237.351 0.620 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000397475947 388473270 /nfs/dbraw/zinc/47/32/70/388473270.db2.gz GTNLNXDPGPXDFD-VWYCJHECSA-N 2 1 237.351 0.620 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686820 388416261 /nfs/dbraw/zinc/41/62/61/388416261.db2.gz VHYRTFJEJHMNJO-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]C1CC1 ZINC000649270770 388481905 /nfs/dbraw/zinc/48/19/05/388481905.db2.gz SRQVUMRQHJCKAX-PHIMTYICSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393611268 388434933 /nfs/dbraw/zinc/43/49/33/388434933.db2.gz XAYIZRVPJARGPG-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246029419 388436313 /nfs/dbraw/zinc/43/63/13/388436313.db2.gz XQMDIAPYVNXUII-QWRGUYRKSA-N 2 1 212.337 0.974 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159455 388539381 /nfs/dbraw/zinc/53/93/81/388539381.db2.gz ROBTUSQIKMGOIE-GRYCIOLGSA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159463 388540123 /nfs/dbraw/zinc/54/01/23/388540123.db2.gz ROBTUSQIKMGOIE-TUAOUCFPSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000261532363 388546308 /nfs/dbraw/zinc/54/63/08/388546308.db2.gz AHLIZCMHGWHKRJ-UTLUCORTSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000261532362 388546548 /nfs/dbraw/zinc/54/65/48/388546548.db2.gz AHLIZCMHGWHKRJ-KXUCPTDWSA-N 2 1 213.325 0.132 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000034754753 388482438 /nfs/dbraw/zinc/48/24/38/388482438.db2.gz KLHMAELHTCGRPJ-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310506210 388483593 /nfs/dbraw/zinc/48/35/93/388483593.db2.gz JDYTXTDNZPHRSB-YNEHKIRRSA-N 2 1 242.363 0.599 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310506210 388483597 /nfs/dbraw/zinc/48/35/97/388483597.db2.gz JDYTXTDNZPHRSB-YNEHKIRRSA-N 2 1 242.363 0.599 20 0 BCADMP CC[C@]1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000378736176 388489993 /nfs/dbraw/zinc/48/99/93/388489993.db2.gz GGVYBIXAQMQDTM-STQMWFEESA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000086495482 256795240 /nfs/dbraw/zinc/79/52/40/256795240.db2.gz BFKPDMVPWZYUND-OUAUKWLOSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000648932409 388505798 /nfs/dbraw/zinc/50/57/98/388505798.db2.gz SXICNWNZPNLZRR-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346845706 388520284 /nfs/dbraw/zinc/52/02/84/388520284.db2.gz KWQRPQRBSMQPIV-MVWJERBFSA-N 2 1 235.335 0.374 20 0 BCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346845706 388520285 /nfs/dbraw/zinc/52/02/85/388520285.db2.gz KWQRPQRBSMQPIV-MVWJERBFSA-N 2 1 235.335 0.374 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378853564 388521592 /nfs/dbraw/zinc/52/15/92/388521592.db2.gz WXTURGVIWPLNCJ-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378853564 388521596 /nfs/dbraw/zinc/52/15/96/388521596.db2.gz WXTURGVIWPLNCJ-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCO)[C@H](C)C1 ZINC000079462382 388534914 /nfs/dbraw/zinc/53/49/14/388534914.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCO)[C@H](C)C1 ZINC000079462382 388534917 /nfs/dbraw/zinc/53/49/17/388534917.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCO)[C@H](C)C1 ZINC000079462382 388534920 /nfs/dbraw/zinc/53/49/20/388534920.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312653 388600886 /nfs/dbraw/zinc/60/08/86/388600886.db2.gz FHOLIKKDFQKPGD-GDNZZTSVSA-N 2 1 239.363 0.300 20 0 BCADMP CN(C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530025224 388605471 /nfs/dbraw/zinc/60/54/71/388605471.db2.gz PUWMDYAECCTTNC-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530025224 388605473 /nfs/dbraw/zinc/60/54/73/388605473.db2.gz PUWMDYAECCTTNC-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358125725 388553000 /nfs/dbraw/zinc/55/30/00/388553000.db2.gz IOAAQHIFLBBEKF-RYUDHWBXSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368611731 388569563 /nfs/dbraw/zinc/56/95/63/388569563.db2.gz DSROZCGHSRTCBS-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297730 388575572 /nfs/dbraw/zinc/57/55/72/388575572.db2.gz UGMBHUNOFOMPQF-FHUSYTEZSA-N 2 1 249.358 0.195 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297540 388576082 /nfs/dbraw/zinc/57/60/82/388576082.db2.gz AMWTUIYQRHXHTL-SJHCENCUSA-N 2 1 249.358 0.480 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577299 /nfs/dbraw/zinc/57/72/99/388577299.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577302 /nfs/dbraw/zinc/57/73/02/388577302.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577303 /nfs/dbraw/zinc/57/73/03/388577303.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP C[C@H]1NCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261541469 388579997 /nfs/dbraw/zinc/57/99/97/388579997.db2.gz GADIZCQTGUNUAJ-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1[NH2+]CCN(CC2CC[NH2+]CC2)[C@H]1C ZINC000261541469 388579998 /nfs/dbraw/zinc/57/99/98/388579998.db2.gz GADIZCQTGUNUAJ-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(COC)C1 ZINC000521643407 388621734 /nfs/dbraw/zinc/62/17/34/388621734.db2.gz DWYBVSUBDFWAEH-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP CCOC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530205209 388626239 /nfs/dbraw/zinc/62/62/39/388626239.db2.gz DQRZVRINRWVGKY-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213559 388628729 /nfs/dbraw/zinc/62/87/29/388628729.db2.gz AEORXKDVHWZUEH-VXGBXAGGSA-N 2 1 249.362 0.931 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219407 388631884 /nfs/dbraw/zinc/63/18/84/388631884.db2.gz LSCRFNDXMZFPOO-GRYCIOLGSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219411 388631960 /nfs/dbraw/zinc/63/19/60/388631960.db2.gz LSCRFNDXMZFPOO-UTUOFQBUSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220376 388632250 /nfs/dbraw/zinc/63/22/50/388632250.db2.gz NTCHYVXUWMFALA-DTWKUNHWSA-N 2 1 211.309 0.125 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226165 388635778 /nfs/dbraw/zinc/63/57/78/388635778.db2.gz NVFWSGPIMVCXNC-SNVBAGLBSA-N 2 1 200.326 0.674 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222707548 388643257 /nfs/dbraw/zinc/64/32/57/388643257.db2.gz MEHACJLCGCGDMK-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000530345493 388651307 /nfs/dbraw/zinc/65/13/07/388651307.db2.gz MUYWNGKYBWTBRJ-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CCOCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212314 388735688 /nfs/dbraw/zinc/73/56/88/388735688.db2.gz RSQGBPBNTWGPKJ-GFCCVEGCSA-N 2 1 242.363 0.710 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCn2ccnc2)CC[N@H+]1C ZINC000648733115 388755397 /nfs/dbraw/zinc/75/53/97/388755397.db2.gz DBTNEHHMOXVZGA-GHMZBOCLSA-N 2 1 236.319 0.340 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522185179 388717666 /nfs/dbraw/zinc/71/76/66/388717666.db2.gz BVWCCXCPSMFPJZ-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402702 388718577 /nfs/dbraw/zinc/71/85/77/388718577.db2.gz AGVOFGJOZDXFDY-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402702 388718581 /nfs/dbraw/zinc/71/85/81/388718581.db2.gz AGVOFGJOZDXFDY-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)COC ZINC000253133529 388804721 /nfs/dbraw/zinc/80/47/21/388804721.db2.gz YCMXTVZZSVNLKT-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)COC ZINC000253133529 388804726 /nfs/dbraw/zinc/80/47/26/388804726.db2.gz YCMXTVZZSVNLKT-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250485571 388790253 /nfs/dbraw/zinc/79/02/53/388790253.db2.gz YQEWDFQGNJLOBP-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000564797596 388890464 /nfs/dbraw/zinc/89/04/64/388890464.db2.gz NQXXTCUQEHWWHE-SECBINFHSA-N 2 1 222.292 0.823 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(N)=O ZINC000564844431 388892602 /nfs/dbraw/zinc/89/26/02/388892602.db2.gz IQWVUYLIIBDZEJ-SECBINFHSA-N 2 1 224.308 0.293 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564994147 388906557 /nfs/dbraw/zinc/90/65/57/388906557.db2.gz NNLHJLDZCQHOGT-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000565040648 388909807 /nfs/dbraw/zinc/90/98/07/388909807.db2.gz NSSHRDCFKPZOES-SDDRHHMPSA-N 2 1 239.363 0.524 20 0 BCADMP [NH3+]C[C@H]1CCCCN1C(=O)CC(F)(F)C[NH3+] ZINC000565147133 388917685 /nfs/dbraw/zinc/91/76/85/388917685.db2.gz HUQGLQOPKQTZGD-MRVPVSSYSA-N 2 1 235.278 0.310 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000565206363 388925906 /nfs/dbraw/zinc/92/59/06/388925906.db2.gz BPXSBYDRGJZNCK-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000565206363 388925909 /nfs/dbraw/zinc/92/59/09/388925909.db2.gz BPXSBYDRGJZNCK-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)OC[C@@H]1C ZINC000565664856 388961633 /nfs/dbraw/zinc/96/16/33/388961633.db2.gz CAMDWDVLXFIYDV-RYUDHWBXSA-N 2 1 244.379 0.798 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC12CCOCC2 ZINC000565344282 388938414 /nfs/dbraw/zinc/93/84/14/388938414.db2.gz WZKFRANCBNQNMV-NEPJUHHUSA-N 2 1 242.363 0.458 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416611 388943265 /nfs/dbraw/zinc/94/32/65/388943265.db2.gz FKLPHISZRFHDKZ-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000262672357 388945663 /nfs/dbraw/zinc/94/56/63/388945663.db2.gz PFISQAIHJLOXSU-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCO[C@H](C)C1 ZINC000566069134 388985944 /nfs/dbraw/zinc/98/59/44/388985944.db2.gz WRIUHTPNRSHROP-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1Cc1nncn1C)CC[NH2+]CC2 ZINC000566096430 388987298 /nfs/dbraw/zinc/98/72/98/388987298.db2.gz QVCSFXFUKWQRQU-LLVKDONJSA-N 2 1 249.362 0.779 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000566091317 388987390 /nfs/dbraw/zinc/98/73/90/388987390.db2.gz XFFYOTIXNJLCIJ-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP CSC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000566108665 388987784 /nfs/dbraw/zinc/98/77/84/388987784.db2.gz XORSYDCXTFSDFX-SNVBAGLBSA-N 2 1 218.366 0.394 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261535702 533378094 /nfs/dbraw/zinc/37/80/94/533378094.db2.gz PCHQMAAFDZHCGV-GRYCIOLGSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000400417462 533498246 /nfs/dbraw/zinc/49/82/46/533498246.db2.gz VPOQEPLEDTUYLG-MMWGEVLESA-N 2 1 200.326 0.876 20 0 BCADMP C(C1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000335448370 133848973 /nfs/dbraw/zinc/84/89/73/133848973.db2.gz ONBUGCGPHDFUMV-UHFFFAOYSA-N 2 1 223.364 0.814 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000167521395 134002353 /nfs/dbraw/zinc/00/23/53/134002353.db2.gz UBZGJGYVHUHOCN-QWRGUYRKSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000335953737 134022536 /nfs/dbraw/zinc/02/25/36/134022536.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000335953737 134022537 /nfs/dbraw/zinc/02/25/37/134022537.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000335953737 134022538 /nfs/dbraw/zinc/02/25/38/134022538.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000335953737 134022539 /nfs/dbraw/zinc/02/25/39/134022539.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335970506 134029641 /nfs/dbraw/zinc/02/96/41/134029641.db2.gz ZFLRMJCSSLZFMJ-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH+](CCC[N@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352220529 134109006 /nfs/dbraw/zinc/10/90/06/134109006.db2.gz IFBKPKMKTKTJGZ-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](CCC[N@H+](CC)C[C@H](C)O)C[C@@H](C)O ZINC000352220529 134109007 /nfs/dbraw/zinc/10/90/07/134109007.db2.gz IFBKPKMKTKTJGZ-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](CCC[N@@H+](CC)C[C@H](C)O)C[C@@H](C)O ZINC000352220529 134109008 /nfs/dbraw/zinc/10/90/08/134109008.db2.gz IFBKPKMKTKTJGZ-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000167594434 134116447 /nfs/dbraw/zinc/11/64/47/134116447.db2.gz MXJZNYBGAAPUQI-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000167594434 134116448 /nfs/dbraw/zinc/11/64/48/134116448.db2.gz MXJZNYBGAAPUQI-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213353 134135630 /nfs/dbraw/zinc/13/56/30/134135630.db2.gz NRHZXORENDBSKJ-ONGXEEELSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000218868814 134265555 /nfs/dbraw/zinc/26/55/55/134265555.db2.gz KFNLIKCSVREANL-BDAKNGLRSA-N 2 1 213.325 0.180 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)C ZINC000172819808 134269904 /nfs/dbraw/zinc/26/99/04/134269904.db2.gz WVZUIVJATRNPQT-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747181 134310721 /nfs/dbraw/zinc/31/07/21/134310721.db2.gz BCSWSDVVEAKFEP-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220947516 134315302 /nfs/dbraw/zinc/31/53/02/134315302.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220947516 134315303 /nfs/dbraw/zinc/31/53/03/134315303.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220947516 134315304 /nfs/dbraw/zinc/31/53/04/134315304.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@H+]1C ZINC000178816119 134315455 /nfs/dbraw/zinc/31/54/55/134315455.db2.gz SMDSNDWVJDQHSV-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222660190 134333742 /nfs/dbraw/zinc/33/37/42/134333742.db2.gz KJBSCQSYMALURO-DCAQKATOSA-N 2 1 200.326 0.545 20 0 BCADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223584793 134340346 /nfs/dbraw/zinc/34/03/46/134340346.db2.gz LIKSHQMZLVBYJP-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CO)[C@@H](C)C1 ZINC000224299622 134346090 /nfs/dbraw/zinc/34/60/90/134346090.db2.gz BYPJZLPKGFKBCN-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP COC[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000227712346 134385098 /nfs/dbraw/zinc/38/50/98/134385098.db2.gz LQWFKBQSXRQCSL-LLVKDONJSA-N 2 1 216.325 0.332 20 0 BCADMP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000235363743 134592512 /nfs/dbraw/zinc/59/25/12/134592512.db2.gz ADBNJBKMMCRFDJ-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(N(C)C)n1 ZINC000130611708 134621264 /nfs/dbraw/zinc/62/12/64/134621264.db2.gz CTXDTPCKCGSQKY-VIFPVBQESA-N 2 1 223.324 0.905 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931522 134791680 /nfs/dbraw/zinc/79/16/80/134791680.db2.gz JNFGGLDDRHUSFE-JTQLQIEISA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250208405 135050733 /nfs/dbraw/zinc/05/07/33/135050733.db2.gz CGJLNBXIIXGZMU-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251041615 135061883 /nfs/dbraw/zinc/06/18/83/135061883.db2.gz LLMDEEHJTSSGNA-BJDJZHNGSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251193615 135066511 /nfs/dbraw/zinc/06/65/11/135066511.db2.gz JNABZFOLBXJJQB-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251611050 135072651 /nfs/dbraw/zinc/07/26/51/135072651.db2.gz DMIXMQCSUZVZQA-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251611050 135072653 /nfs/dbraw/zinc/07/26/53/135072653.db2.gz DMIXMQCSUZVZQA-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000251739090 135076662 /nfs/dbraw/zinc/07/66/62/135076662.db2.gz CSBZQVLPBFQWOV-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC(C)(C)O1 ZINC000086435610 135084167 /nfs/dbraw/zinc/08/41/67/135084167.db2.gz FJSGYSHDEQBDHB-SNVBAGLBSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1CSCC[N@H+]1CCOCC[NH3+] ZINC000086435814 135084229 /nfs/dbraw/zinc/08/42/29/135084229.db2.gz XZKUYFJJRZHDJO-SECBINFHSA-N 2 1 204.339 0.399 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])C[C@H]1CCCO1 ZINC000086435491 135084273 /nfs/dbraw/zinc/08/42/73/135084273.db2.gz FCOQCUVWKDNXKU-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC(C)(C)O1 ZINC000086435611 135084550 /nfs/dbraw/zinc/08/45/50/135084550.db2.gz FJSGYSHDEQBDHB-JTQLQIEISA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000252210418 135086936 /nfs/dbraw/zinc/08/69/36/135086936.db2.gz XZMRGPZWUMIJBC-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000252440010 135088806 /nfs/dbraw/zinc/08/88/06/135088806.db2.gz VXSQCQOFBYSDOU-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000252447639 135089732 /nfs/dbraw/zinc/08/97/32/135089732.db2.gz NCIBPKFXBZASDC-WISYIIOYSA-N 2 1 239.363 0.583 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252464840 135090462 /nfs/dbraw/zinc/09/04/62/135090462.db2.gz MWDXAOQTVWLLLE-DDHJBXDOSA-N 2 1 230.352 0.312 20 0 BCADMP COC(=O)C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000086593915 135091149 /nfs/dbraw/zinc/09/11/49/135091149.db2.gz WXUFHUZOTBWIFC-UHFFFAOYSA-N 2 1 228.336 0.869 20 0 BCADMP CC[C@H](C(N)=O)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252687226 135096914 /nfs/dbraw/zinc/09/69/14/135096914.db2.gz KYHCMEQZAAJGIY-VHSXEESVSA-N 2 1 215.341 0.556 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252687226 135096915 /nfs/dbraw/zinc/09/69/15/135096915.db2.gz KYHCMEQZAAJGIY-VHSXEESVSA-N 2 1 215.341 0.556 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252686200 135097050 /nfs/dbraw/zinc/09/70/50/135097050.db2.gz JHOWHZJEFBPWOB-CYDGBPFRSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252686200 135097051 /nfs/dbraw/zinc/09/70/51/135097051.db2.gz JHOWHZJEFBPWOB-CYDGBPFRSA-N 2 1 240.347 0.617 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CO)[C@H](C)C1 ZINC000252708593 135098021 /nfs/dbraw/zinc/09/80/21/135098021.db2.gz AMSMNRKEOMHBLC-TUAOUCFPSA-N 2 1 214.353 0.935 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000252709195 135098086 /nfs/dbraw/zinc/09/80/86/135098086.db2.gz CGIFUJONGZLMAW-IJLUTSLNSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711707 135099042 /nfs/dbraw/zinc/09/90/42/135099042.db2.gz KJBSCQSYMALURO-AXFHLTTASA-N 2 1 200.326 0.545 20 0 BCADMP C[NH2+]CCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086929837 135103367 /nfs/dbraw/zinc/10/33/67/135103367.db2.gz MDFOQUWWQSQKPU-GFCCVEGCSA-N 2 1 211.353 0.766 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252744610 135106170 /nfs/dbraw/zinc/10/61/70/135106170.db2.gz SHFKVNCYYWLTOG-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252744610 135106171 /nfs/dbraw/zinc/10/61/71/135106171.db2.gz SHFKVNCYYWLTOG-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000252844483 135112672 /nfs/dbraw/zinc/11/26/72/135112672.db2.gz DOQZBQIDZFEGDS-RWMBFGLXSA-N 2 1 234.347 0.979 20 0 BCADMP COC(=O)C(C)(C)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261915537 135113038 /nfs/dbraw/zinc/11/30/38/135113038.db2.gz JVBWECRXKAAHSQ-PHIMTYICSA-N 2 1 240.347 0.727 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252848064 135113147 /nfs/dbraw/zinc/11/31/47/135113147.db2.gz GKGTVZTYFKPGBH-SDDRHHMPSA-N 2 1 240.347 0.999 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCO ZINC000253283537 135126453 /nfs/dbraw/zinc/12/64/53/135126453.db2.gz MCSXLZAGVWFVQI-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000257697831 135140085 /nfs/dbraw/zinc/14/00/85/135140085.db2.gz NLFJEJOSPQIOQD-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000260219623 135147727 /nfs/dbraw/zinc/14/77/27/135147727.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000260219623 135147728 /nfs/dbraw/zinc/14/77/28/135147728.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000260219623 135147730 /nfs/dbraw/zinc/14/77/30/135147730.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261545708 135150319 /nfs/dbraw/zinc/15/03/19/135150319.db2.gz KERXZRKXILKGAW-WPRPVWTQSA-N 2 1 208.309 0.887 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261545765 135151125 /nfs/dbraw/zinc/15/11/25/135151125.db2.gz KJBFMBFCAJKYIX-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261532059 135162045 /nfs/dbraw/zinc/16/20/45/135162045.db2.gz IYRAEGPLEMPERM-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261532274 135162334 /nfs/dbraw/zinc/16/23/34/135162334.db2.gz AAZWRTBWENFGER-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261532274 135162335 /nfs/dbraw/zinc/16/23/35/135162335.db2.gz AAZWRTBWENFGER-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534175 135167046 /nfs/dbraw/zinc/16/70/46/135167046.db2.gz NYLCQAUHIAQXSK-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261539796 135178940 /nfs/dbraw/zinc/17/89/40/135178940.db2.gz DDTZQKOGGKUYAH-VXGBXAGGSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000261540381 135179584 /nfs/dbraw/zinc/17/95/84/135179584.db2.gz GIOFIMSFRWTMTO-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000261540381 135179585 /nfs/dbraw/zinc/17/95/85/135179585.db2.gz GIOFIMSFRWTMTO-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545081 135186951 /nfs/dbraw/zinc/18/69/51/135186951.db2.gz JOKKITZUDDUNRA-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1(C)CCC1 ZINC000261550257 135188987 /nfs/dbraw/zinc/18/89/87/135188987.db2.gz LDGCORWTBAPDBR-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CC1(C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551148 135189837 /nfs/dbraw/zinc/18/98/37/135189837.db2.gz QFIANAOPNFPWSO-CMPLNLGQSA-N 2 1 212.337 0.689 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084221018 135193349 /nfs/dbraw/zinc/19/33/49/135193349.db2.gz ABQALDPPKGBVKO-DMDPSCGWSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084221018 135193351 /nfs/dbraw/zinc/19/33/51/135193351.db2.gz ABQALDPPKGBVKO-DMDPSCGWSA-N 2 1 223.364 0.940 20 0 BCADMP CN(CCOCC[NH3+])CC[C@@H]1CCCC[N@H+]1C ZINC000261553835 135193559 /nfs/dbraw/zinc/19/35/59/135193559.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 2 1 243.395 0.768 20 0 BCADMP C[N@H+](CCOCC[NH3+])CC[C@@H]1CCCC[NH+]1C ZINC000261553835 135193561 /nfs/dbraw/zinc/19/35/61/135193561.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 3 1 243.395 0.768 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCCC[NH+]1C ZINC000261553835 135193563 /nfs/dbraw/zinc/19/35/63/135193563.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 3 1 243.395 0.768 20 0 BCADMP C[NH+](CCOCC[NH3+])CC[C@@H]1CCCC[N@@H+]1C ZINC000261553835 135193564 /nfs/dbraw/zinc/19/35/64/135193564.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 3 1 243.395 0.768 20 0 BCADMP C[NH+](CCOCC[NH3+])CC[C@@H]1CCCC[N@H+]1C ZINC000261553835 135193566 /nfs/dbraw/zinc/19/35/66/135193566.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 3 1 243.395 0.768 20 0 BCADMP O[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CC2 ZINC000261559435 135200114 /nfs/dbraw/zinc/20/01/14/135200114.db2.gz ZDIRYHAIDNICHB-LLVKDONJSA-N 2 1 210.321 0.443 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261560504 135200753 /nfs/dbraw/zinc/20/07/53/135200753.db2.gz URQMMTDSDVPPIW-ZWNOBZJWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261560504 135200754 /nfs/dbraw/zinc/20/07/54/135200754.db2.gz URQMMTDSDVPPIW-ZWNOBZJWSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261560612 135200807 /nfs/dbraw/zinc/20/08/07/135200807.db2.gz ADDXZNDOCLHJBG-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261560612 135200808 /nfs/dbraw/zinc/20/08/08/135200808.db2.gz ADDXZNDOCLHJBG-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000261560435 135201293 /nfs/dbraw/zinc/20/12/93/135201293.db2.gz UPNKZIAZFPXTTD-MNOVXSKESA-N 2 1 236.319 0.435 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261571999 135213996 /nfs/dbraw/zinc/21/39/96/135213996.db2.gz HYIQAPIZJDBAPC-ZYHUDNBSSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261571999 135213998 /nfs/dbraw/zinc/21/39/98/135213998.db2.gz HYIQAPIZJDBAPC-ZYHUDNBSSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1C[C@H](C)[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380629 135225326 /nfs/dbraw/zinc/22/53/26/135225326.db2.gz VOLIIZQXENCANE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261588865 135229339 /nfs/dbraw/zinc/22/93/39/135229339.db2.gz SRPVUFAECBQFQJ-MNOVXSKESA-N 3 1 215.341 0.163 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261588865 135229340 /nfs/dbraw/zinc/22/93/40/135229340.db2.gz SRPVUFAECBQFQJ-MNOVXSKESA-N 3 1 215.341 0.163 20 0 BCADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261593452 135233347 /nfs/dbraw/zinc/23/33/47/135233347.db2.gz WWZZCQROCBYQLC-CHWSQXEVSA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000261595776 135236241 /nfs/dbraw/zinc/23/62/41/135236241.db2.gz YLSPMISEDUTDFN-UHFFFAOYSA-N 2 1 210.281 0.991 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000261595477 135236383 /nfs/dbraw/zinc/23/63/83/135236383.db2.gz YFGYENUOAPAKCG-UHFFFAOYSA-N 3 1 213.369 0.903 20 0 BCADMP C[N@H+](CC1CC[NH2+]CC1)CC(C)(C)CN ZINC000261595477 135236385 /nfs/dbraw/zinc/23/63/85/135236385.db2.gz YFGYENUOAPAKCG-UHFFFAOYSA-N 2 1 213.369 0.903 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(C)CN ZINC000261595477 135236386 /nfs/dbraw/zinc/23/63/86/135236386.db2.gz YFGYENUOAPAKCG-UHFFFAOYSA-N 2 1 213.369 0.903 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261677605 135245169 /nfs/dbraw/zinc/24/51/69/135245169.db2.gz GQBDEYSWKKLFNO-JQWIXIFHSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689489 135246008 /nfs/dbraw/zinc/24/60/08/135246008.db2.gz AZRYIHQVPLUKSE-NQBHXWOUSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689490 135246097 /nfs/dbraw/zinc/24/60/97/135246097.db2.gz AZRYIHQVPLUKSE-WZRBSPASSA-N 2 1 240.347 0.869 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745021 135249162 /nfs/dbraw/zinc/24/91/62/135249162.db2.gz MCMMPQZFQIMYKK-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000261774732 135251255 /nfs/dbraw/zinc/25/12/55/135251255.db2.gz JBNYFUXCLHTDOX-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254443 /nfs/dbraw/zinc/25/44/43/135254443.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 3 1 223.364 0.479 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254444 /nfs/dbraw/zinc/25/44/44/135254444.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 3 1 223.364 0.479 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254446 /nfs/dbraw/zinc/25/44/46/135254446.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 2 1 223.364 0.479 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254448 /nfs/dbraw/zinc/25/44/48/135254448.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 2 1 223.364 0.479 20 0 BCADMP CN1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254449 /nfs/dbraw/zinc/25/44/49/135254449.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 2 1 223.364 0.479 20 0 BCADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261811341 135254700 /nfs/dbraw/zinc/25/47/00/135254700.db2.gz HREOSDDXRROIIQ-WOPDTQHZSA-N 2 1 239.363 0.429 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261852166 135257144 /nfs/dbraw/zinc/25/71/44/135257144.db2.gz OVLWCLIQVQONAC-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875135 135258670 /nfs/dbraw/zinc/25/86/70/135258670.db2.gz POTSMMIMBLARCW-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875135 135258672 /nfs/dbraw/zinc/25/86/72/135258672.db2.gz POTSMMIMBLARCW-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875140 135259116 /nfs/dbraw/zinc/25/91/16/135259116.db2.gz POTSMMIMBLARCW-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875140 135259118 /nfs/dbraw/zinc/25/91/18/135259118.db2.gz POTSMMIMBLARCW-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(Cn2cncn2)CC1 ZINC000261948521 135265160 /nfs/dbraw/zinc/26/51/60/135265160.db2.gz NOIBVFRSMJIDMX-UHFFFAOYSA-N 2 1 237.351 0.727 20 0 BCADMP Cn1nccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261976531 135268698 /nfs/dbraw/zinc/26/86/98/135268698.db2.gz IVJLEOYEKDFYDO-UHFFFAOYSA-N 2 1 234.347 0.996 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262018219 135272769 /nfs/dbraw/zinc/27/27/69/135272769.db2.gz ACKNLJNAKHNLHF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262030013 135274323 /nfs/dbraw/zinc/27/43/23/135274323.db2.gz BMHIVURRARWBLT-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262178074 135283723 /nfs/dbraw/zinc/28/37/23/135283723.db2.gz WFMOUWWEYKYKMI-JHJVBQTASA-N 2 1 223.364 0.622 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262263261 135288734 /nfs/dbraw/zinc/28/87/34/135288734.db2.gz XTRFKOZBGFOOFT-TXEJJXNPSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000262266003 135288955 /nfs/dbraw/zinc/28/89/55/135288955.db2.gz SAZXZARKUQTRNP-ONGXEEELSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000342637661 135299730 /nfs/dbraw/zinc/29/97/30/135299730.db2.gz BQOJZUOKZTZBHW-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342732729 135316602 /nfs/dbraw/zinc/31/66/02/135316602.db2.gz LTLHEFNTDAXVAK-ZDUSSCGKSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000263260667 135343351 /nfs/dbraw/zinc/34/33/51/135343351.db2.gz SKYWHXNIPDHQEY-PHIMTYICSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000335301369 136020595 /nfs/dbraw/zinc/02/05/95/136020595.db2.gz OFSVXGCYZNBDSG-MNOVXSKESA-N 2 1 240.351 0.071 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000335307850 136027137 /nfs/dbraw/zinc/02/71/37/136027137.db2.gz WHOWBGBRJVIOBG-ZJUUUORDSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335356577 136061921 /nfs/dbraw/zinc/06/19/21/136061921.db2.gz FFJBRZJYFLJCFB-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341397 136064309 /nfs/dbraw/zinc/06/43/09/136064309.db2.gz KHZZQIDVKVADGV-GXSJLCMTSA-N 2 1 231.315 0.274 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335402012 136085288 /nfs/dbraw/zinc/08/52/88/136085288.db2.gz WZNSVXWRGSLFQE-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335375216 136085540 /nfs/dbraw/zinc/08/55/40/136085540.db2.gz MMCYFLBMAGOKIO-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000335387752 136089576 /nfs/dbraw/zinc/08/95/76/136089576.db2.gz UDBCOEQEVYCTBO-UHFFFAOYSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554047 136098607 /nfs/dbraw/zinc/09/86/07/136098607.db2.gz AGXRNHOPAMAFPI-KOLCDFICSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554049 136098906 /nfs/dbraw/zinc/09/89/06/136098906.db2.gz AGXRNHOPAMAFPI-ONGXEEELSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335569348 136108709 /nfs/dbraw/zinc/10/87/09/136108709.db2.gz XUSMAQHWCCJSHX-GXSJLCMTSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335569348 136108710 /nfs/dbraw/zinc/10/87/10/136108710.db2.gz XUSMAQHWCCJSHX-GXSJLCMTSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000166196579 136116562 /nfs/dbraw/zinc/11/65/62/136116562.db2.gz OTWOFXRTKHIRNT-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000166196579 136116563 /nfs/dbraw/zinc/11/65/63/136116563.db2.gz OTWOFXRTKHIRNT-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308952318 397843454 /nfs/dbraw/zinc/84/34/54/397843454.db2.gz PLMXBXGIKBFITA-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308952318 397843456 /nfs/dbraw/zinc/84/34/56/397843456.db2.gz PLMXBXGIKBFITA-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308952319 397843643 /nfs/dbraw/zinc/84/36/43/397843643.db2.gz PLMXBXGIKBFITA-GMTAPVOTSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308952319 397843647 /nfs/dbraw/zinc/84/36/47/397843647.db2.gz PLMXBXGIKBFITA-GMTAPVOTSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC[NH+](C)C ZINC000309102216 397851279 /nfs/dbraw/zinc/85/12/79/397851279.db2.gz GJEPOEXOGMFSGK-CMPLNLGQSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH+](C)C ZINC000309102216 397851283 /nfs/dbraw/zinc/85/12/83/397851283.db2.gz GJEPOEXOGMFSGK-CMPLNLGQSA-N 2 1 211.353 0.620 20 0 BCADMP CC(C)(C)[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309253040 397855027 /nfs/dbraw/zinc/85/50/27/397855027.db2.gz FPFKKAYRHFHMIG-LURJTMIESA-N 2 1 223.267 0.070 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000182175539 397824638 /nfs/dbraw/zinc/82/46/38/397824638.db2.gz HKQQBENJINGZDC-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000182175539 397824641 /nfs/dbraw/zinc/82/46/41/397824641.db2.gz HKQQBENJINGZDC-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CO[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182171628 397824855 /nfs/dbraw/zinc/82/48/55/397824855.db2.gz FXUPILFFBFSEIT-WDEREUQCSA-N 2 1 200.326 0.905 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361216 397947480 /nfs/dbraw/zinc/94/74/80/397947480.db2.gz YZKCFKPIIMPVKR-HOSYDEDBSA-N 2 1 237.347 0.195 20 0 BCADMP CN(C)c1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000382417503 397947527 /nfs/dbraw/zinc/94/75/27/397947527.db2.gz HZEZTYBGSQKDFZ-NXEZZACHSA-N 2 1 235.335 0.646 20 0 BCADMP CN(C)c1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000382417534 397948276 /nfs/dbraw/zinc/94/82/76/397948276.db2.gz HZEZTYBGSQKDFZ-ZJUUUORDSA-N 2 1 235.335 0.646 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000054133011 397903692 /nfs/dbraw/zinc/90/36/92/397903692.db2.gz KGFPVLAGTWVNDY-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CCC(=O)N1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647881144 397915092 /nfs/dbraw/zinc/91/50/92/397915092.db2.gz GUYVMRIUFXHIID-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CCC(=O)N1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647881144 397915093 /nfs/dbraw/zinc/91/50/93/397915093.db2.gz GUYVMRIUFXHIID-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649530909 397922283 /nfs/dbraw/zinc/92/22/83/397922283.db2.gz PCXGNKILIFFLMH-CHWSQXEVSA-N 2 1 225.380 0.964 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530979 397922698 /nfs/dbraw/zinc/92/26/98/397922698.db2.gz RXIVFAUMJUTZCI-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530979 397922705 /nfs/dbraw/zinc/92/27/05/397922705.db2.gz RXIVFAUMJUTZCI-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000649616238 397997932 /nfs/dbraw/zinc/99/79/32/397997932.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000649616238 397997934 /nfs/dbraw/zinc/99/79/34/397997934.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000649616238 397997936 /nfs/dbraw/zinc/99/79/36/397997936.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 2 1 223.364 0.717 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000383194889 398010310 /nfs/dbraw/zinc/01/03/10/398010310.db2.gz VFRGEBJZMQYDSL-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000414671136 398013805 /nfs/dbraw/zinc/01/38/05/398013805.db2.gz NDDPGACTUJRPSF-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705225 398021187 /nfs/dbraw/zinc/02/11/87/398021187.db2.gz NSCOJXBHMGSBRK-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705219 398021866 /nfs/dbraw/zinc/02/18/66/398021866.db2.gz NSCOJXBHMGSBRK-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP CCC[C@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685239 398035639 /nfs/dbraw/zinc/03/56/39/398035639.db2.gz TYANTGVQVVZUNL-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000383759324 398036642 /nfs/dbraw/zinc/03/66/42/398036642.db2.gz LECDEZXKLIMUDQ-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000383759324 398036643 /nfs/dbraw/zinc/03/66/43/398036643.db2.gz LECDEZXKLIMUDQ-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688572 398036716 /nfs/dbraw/zinc/03/67/16/398036716.db2.gz HNBKVKJSGGTPDP-UHFFFAOYSA-N 2 1 213.325 0.101 20 0 BCADMP CC(C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688572 398036717 /nfs/dbraw/zinc/03/67/17/398036717.db2.gz HNBKVKJSGGTPDP-UHFFFAOYSA-N 2 1 213.325 0.101 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148927 398037969 /nfs/dbraw/zinc/03/79/69/398037969.db2.gz IXNFCBDTORKHLA-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP COC[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341739 398043521 /nfs/dbraw/zinc/04/35/21/398043521.db2.gz FXPPIFGYPVPKKG-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048388 398066525 /nfs/dbraw/zinc/06/65/25/398066525.db2.gz OETKGIRHAMEJMW-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP COc1cc(C)[nH+]c(CN2CC[NH2+]CC2)c1 ZINC000083021113 398067633 /nfs/dbraw/zinc/06/76/33/398067633.db2.gz QIGFAXJBHZJYTM-UHFFFAOYSA-N 2 1 221.304 0.804 20 0 BCADMP C[C@H](CNC(=O)/C=C\C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000491853795 398075355 /nfs/dbraw/zinc/07/53/55/398075355.db2.gz WFCOYQRRELYSLP-ISALQUGTSA-N 2 1 239.363 0.703 20 0 BCADMP C[C@H](CNC(=O)/C=C/C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000491853796 398075562 /nfs/dbraw/zinc/07/55/62/398075562.db2.gz WFCOYQRRELYSLP-MVIFTORASA-N 2 1 239.363 0.703 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418419312 398087999 /nfs/dbraw/zinc/08/79/99/398087999.db2.gz YTHLIKJIUQWXHK-NSHDSACASA-N 2 1 242.367 0.317 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000309202943 398114047 /nfs/dbraw/zinc/11/40/47/398114047.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000309202943 398114049 /nfs/dbraw/zinc/11/40/49/398114049.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000309202943 398114050 /nfs/dbraw/zinc/11/40/50/398114050.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000309202943 398114051 /nfs/dbraw/zinc/11/40/51/398114051.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP COCC(COC)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000385027343 398128009 /nfs/dbraw/zinc/12/80/09/398128009.db2.gz JRDOLXHZKPUDFI-GHMZBOCLSA-N 2 1 230.352 0.720 20 0 BCADMP COCC(COC)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385027343 398128010 /nfs/dbraw/zinc/12/80/10/398128010.db2.gz JRDOLXHZKPUDFI-GHMZBOCLSA-N 2 1 230.352 0.720 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000336711450 398134513 /nfs/dbraw/zinc/13/45/13/398134513.db2.gz RGLQRHNSQVYEPL-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCCNC2=O)C1 ZINC000336711450 398134515 /nfs/dbraw/zinc/13/45/15/398134515.db2.gz RGLQRHNSQVYEPL-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCC[N@H+]1CCSC[C@@H]1CCO ZINC000308894082 173347177 /nfs/dbraw/zinc/34/71/77/173347177.db2.gz YXBRLVMMGZQKLZ-JTQLQIEISA-N 2 1 218.366 0.396 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122316678 167054871 /nfs/dbraw/zinc/05/48/71/167054871.db2.gz SBZJTQPYHQCEMM-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122316678 167054874 /nfs/dbraw/zinc/05/48/74/167054874.db2.gz SBZJTQPYHQCEMM-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC(C)(C)C ZINC000301050375 487572120 /nfs/dbraw/zinc/57/21/20/487572120.db2.gz SHUNAGQJRASCDD-UHFFFAOYSA-N 2 1 218.341 0.709 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419995 487574930 /nfs/dbraw/zinc/57/49/30/487574930.db2.gz MNFOIZOAJPVYEW-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420001 487574725 /nfs/dbraw/zinc/57/47/25/487574725.db2.gz ODKBSQFBBOBMTR-WDEREUQCSA-N 2 1 229.368 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420001 487574728 /nfs/dbraw/zinc/57/47/28/487574728.db2.gz ODKBSQFBBOBMTR-WDEREUQCSA-N 2 1 229.368 0.960 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419995 487574923 /nfs/dbraw/zinc/57/49/23/487574923.db2.gz MNFOIZOAJPVYEW-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000082303081 487590747 /nfs/dbraw/zinc/59/07/47/487590747.db2.gz HIJCGCHIPNZZHV-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP OCC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000238673281 487592216 /nfs/dbraw/zinc/59/22/16/487592216.db2.gz HDKJLGAUJWLBNT-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP COC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662264795 409561375 /nfs/dbraw/zinc/56/13/75/409561375.db2.gz MFTOSJBHLHKKIK-ZGVCCVRISA-N 2 1 242.363 0.863 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662266261 409563956 /nfs/dbraw/zinc/56/39/56/409563956.db2.gz LAFZUYMLVBAFOA-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662265733 409564672 /nfs/dbraw/zinc/56/46/72/409564672.db2.gz IBRMMQCGRPXFAO-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662265733 409564684 /nfs/dbraw/zinc/56/46/84/409564684.db2.gz IBRMMQCGRPXFAO-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243798 409531234 /nfs/dbraw/zinc/53/12/34/409531234.db2.gz KGKNFTAOHXSOAC-IJLUTSLNSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243798 409531240 /nfs/dbraw/zinc/53/12/40/409531240.db2.gz KGKNFTAOHXSOAC-IJLUTSLNSA-N 2 1 239.363 0.177 20 0 BCADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000662315972 409636899 /nfs/dbraw/zinc/63/68/99/409636899.db2.gz RWBDBSOIBRBVGO-UTUOFQBUSA-N 2 1 222.332 0.849 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CC[C@@H]1[NH3+] ZINC000662269811 409573875 /nfs/dbraw/zinc/57/38/75/409573875.db2.gz FRDNNVSTZYVLIB-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CC[C@@H]1[NH3+] ZINC000662269811 409573887 /nfs/dbraw/zinc/57/38/87/409573887.db2.gz FRDNNVSTZYVLIB-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000662277212 409589463 /nfs/dbraw/zinc/58/94/63/409589463.db2.gz NHELYNMRTXRVDH-NWDGAFQWSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H](O)C[NH3+] ZINC000259123616 409732321 /nfs/dbraw/zinc/73/23/21/409732321.db2.gz TYDJURINOBPCSQ-GFCCVEGCSA-N 2 1 236.315 0.373 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H](O)C[NH3+] ZINC000259123616 409732332 /nfs/dbraw/zinc/73/23/32/409732332.db2.gz TYDJURINOBPCSQ-GFCCVEGCSA-N 2 1 236.315 0.373 20 0 BCADMP COC[C@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000308507505 409766810 /nfs/dbraw/zinc/76/68/10/409766810.db2.gz JJFWIWVZKVLEHY-SNVBAGLBSA-N 2 1 204.314 0.176 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662681263 409832358 /nfs/dbraw/zinc/83/23/58/409832358.db2.gz DLBGHGKJVNPSAN-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC(F)(F)C[NH3+] ZINC000653126982 409836209 /nfs/dbraw/zinc/83/62/09/409836209.db2.gz RMZKYWZHDHUVJJ-YUMQZZPRSA-N 2 1 235.278 0.166 20 0 BCADMP C[NH+](C)C1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000653125542 409836496 /nfs/dbraw/zinc/83/64/96/409836496.db2.gz DKXXJQWSWWQOTL-UHFFFAOYSA-N 2 1 249.305 0.523 20 0 BCADMP CC[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@H]1[NH3+] ZINC000653134683 409852594 /nfs/dbraw/zinc/85/25/94/409852594.db2.gz HJKCQBVSEBGVCB-DTWKUNHWSA-N 2 1 249.305 0.556 20 0 BCADMP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662775452 409895811 /nfs/dbraw/zinc/89/58/11/409895811.db2.gz WFLQJDDDRNYXJD-QUBYGPBYSA-N 2 1 243.257 0.428 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834190 409943542 /nfs/dbraw/zinc/94/35/42/409943542.db2.gz FOBMYXJRFKQLLM-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839720 409948065 /nfs/dbraw/zinc/94/80/65/409948065.db2.gz UCGWOIOALRTGJO-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839717 409948862 /nfs/dbraw/zinc/94/88/62/409948862.db2.gz UCGWOIOALRTGJO-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000257902523 487613873 /nfs/dbraw/zinc/61/38/73/487613873.db2.gz DSYDGJAWSUGYPN-BDAKNGLRSA-N 2 1 222.292 0.913 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[NH3+] ZINC000653175850 410153383 /nfs/dbraw/zinc/15/33/83/410153383.db2.gz CRIPYAWVKLCHAF-UHFFFAOYSA-N 2 1 215.341 0.429 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538953 410199480 /nfs/dbraw/zinc/19/94/80/410199480.db2.gz BAZFUDSHGWZUKR-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@@H+]1CCN(C(=O)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000653254592 410237595 /nfs/dbraw/zinc/23/75/95/410237595.db2.gz VUJVLJUROVGEGG-CYBMUJFWSA-N 2 1 247.342 0.330 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000653254592 410237601 /nfs/dbraw/zinc/23/76/01/410237601.db2.gz VUJVLJUROVGEGG-CYBMUJFWSA-N 2 1 247.342 0.330 20 0 BCADMP C[N@@H+]1CCN(C(=O)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000653254593 410237752 /nfs/dbraw/zinc/23/77/52/410237752.db2.gz VUJVLJUROVGEGG-ZDUSSCGKSA-N 2 1 247.342 0.330 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000653254593 410237760 /nfs/dbraw/zinc/23/77/60/410237760.db2.gz VUJVLJUROVGEGG-ZDUSSCGKSA-N 2 1 247.342 0.330 20 0 BCADMP C[N@H+](Cc1cccc2c1CCC2)C[C@H](O)C[NH3+] ZINC000650704169 410336059 /nfs/dbraw/zinc/33/60/59/410336059.db2.gz LEYMWQPBOXRVPL-CYBMUJFWSA-N 2 1 234.343 0.927 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707518 410338083 /nfs/dbraw/zinc/33/80/83/410338083.db2.gz HTQHPTFOMOLBMU-AVGNSLFASA-N 3 1 241.379 0.554 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC(C)(C)COC)C[C@H]1C[NH3+] ZINC000650714581 410346632 /nfs/dbraw/zinc/34/66/32/410346632.db2.gz PFUDZQFPBXCZGQ-VXGBXAGGSA-N 2 1 244.379 0.955 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130172199 410394715 /nfs/dbraw/zinc/39/47/15/410394715.db2.gz ZFWVEROFDCSFEO-LLVKDONJSA-N 2 1 248.330 0.364 20 0 BCADMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000394487743 410573413 /nfs/dbraw/zinc/57/34/13/410573413.db2.gz IPNDATGBKQGDNV-YUMQZZPRSA-N 2 1 209.297 0.690 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nc1 ZINC000653279924 410631687 /nfs/dbraw/zinc/63/16/87/410631687.db2.gz LKRSLJGUQVUCEE-KOLCDFICSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)nc1 ZINC000653279924 410631692 /nfs/dbraw/zinc/63/16/92/410631692.db2.gz LKRSLJGUQVUCEE-KOLCDFICSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nc1 ZINC000653279925 410632131 /nfs/dbraw/zinc/63/21/31/410632131.db2.gz LKRSLJGUQVUCEE-MWLCHTKSSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)nc1 ZINC000653279925 410632136 /nfs/dbraw/zinc/63/21/36/410632136.db2.gz LKRSLJGUQVUCEE-MWLCHTKSSA-N 2 1 220.320 0.806 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000665273897 410743197 /nfs/dbraw/zinc/74/31/97/410743197.db2.gz GKBULXNFVUWTKJ-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000393813915 410760668 /nfs/dbraw/zinc/76/06/68/410760668.db2.gz UDVFKNWSAJOWKY-GFCCVEGCSA-N 2 1 220.320 0.638 20 0 BCADMP COCC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000309304955 410792267 /nfs/dbraw/zinc/79/22/67/410792267.db2.gz VHEPZTIGUXEJHH-TXEJJXNPSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000655489698 410797783 /nfs/dbraw/zinc/79/77/83/410797783.db2.gz ZYCVDZLIDOVWOR-AEJSXWLSSA-N 2 1 243.376 0.105 20 0 BCADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019486891 169773869 /nfs/dbraw/zinc/77/38/69/169773869.db2.gz XLZCNBLNVKGHGQ-JTQLQIEISA-N 2 1 245.392 0.497 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673636 410883272 /nfs/dbraw/zinc/88/32/72/410883272.db2.gz SLDDHWCVFFIMCI-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741191 410895540 /nfs/dbraw/zinc/89/55/40/410895540.db2.gz QJRXPOUXGTZISJ-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC(C)[NH2+]CCN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000377068679 167104794 /nfs/dbraw/zinc/10/47/94/167104794.db2.gz SQNALXKKAHSATA-CYBMUJFWSA-N 2 1 243.395 0.373 20 0 BCADMP CC(C)OC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336735639 167254121 /nfs/dbraw/zinc/25/41/21/167254121.db2.gz IGIUQLLYBXJURL-NEPJUHHUSA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482593 167368443 /nfs/dbraw/zinc/36/84/43/167368443.db2.gz KAPNGEUVKSTQNH-GFCCVEGCSA-N 2 1 213.369 0.868 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044808500 167397621 /nfs/dbraw/zinc/39/76/21/167397621.db2.gz NNTYKIKJIUBFHF-ZYHUDNBSSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)N(C)C ZINC000042516086 411012821 /nfs/dbraw/zinc/01/28/21/411012821.db2.gz IWOVFJUEPKUARV-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(CO)CC1 ZINC000661619303 411062522 /nfs/dbraw/zinc/06/25/22/411062522.db2.gz LPUJHFZNMSEYAX-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(CO)CC1 ZINC000661619303 411062527 /nfs/dbraw/zinc/06/25/27/411062527.db2.gz LPUJHFZNMSEYAX-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000652025226 411080204 /nfs/dbraw/zinc/08/02/04/411080204.db2.gz WTEHPTSLSAXHIF-SDDRHHMPSA-N 2 1 230.327 0.923 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000044538840 411137175 /nfs/dbraw/zinc/13/71/75/411137175.db2.gz SOMOVYFBDOJDTF-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726825 411140134 /nfs/dbraw/zinc/14/01/34/411140134.db2.gz IEFITJFYOJKWMI-DTWKUNHWSA-N 2 1 211.309 0.077 20 0 BCADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000652151698 411161830 /nfs/dbraw/zinc/16/18/30/411161830.db2.gz ZYGHGHDYPXBAQC-NWDGAFQWSA-N 2 1 246.395 0.950 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300357327 411118067 /nfs/dbraw/zinc/11/80/67/411118067.db2.gz XIUJSVBFFLOZJB-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300357327 411118069 /nfs/dbraw/zinc/11/80/69/411118069.db2.gz XIUJSVBFFLOZJB-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000401039609 411173435 /nfs/dbraw/zinc/17/34/35/411173435.db2.gz GDEAWIQWQCJSDA-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000061678251 411178109 /nfs/dbraw/zinc/17/81/09/411178109.db2.gz RMXMQDFBIUWFDN-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000061678251 411178113 /nfs/dbraw/zinc/17/81/13/411178113.db2.gz RMXMQDFBIUWFDN-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309597506 411179177 /nfs/dbraw/zinc/17/91/77/411179177.db2.gz VDCOLQXDOPJFHW-AXFHLTTASA-N 2 1 225.336 0.182 20 0 BCADMP C[N@@H+](CCNC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000062010150 411186397 /nfs/dbraw/zinc/18/63/97/411186397.db2.gz IWKQUMOIQJJVSG-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151923 411187524 /nfs/dbraw/zinc/18/75/24/411187524.db2.gz OXLSXUCBDVHVSS-WCQYABFASA-N 2 1 242.363 0.267 20 0 BCADMP CCN(C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151923 411187526 /nfs/dbraw/zinc/18/75/26/411187526.db2.gz OXLSXUCBDVHVSS-WCQYABFASA-N 2 1 242.363 0.267 20 0 BCADMP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193871 411199351 /nfs/dbraw/zinc/19/93/51/411199351.db2.gz WMHVJIPJCXHERE-FRRDWIJNSA-N 2 1 241.379 0.111 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000656193168 411199395 /nfs/dbraw/zinc/19/93/95/411199395.db2.gz WJCHGNPZGLXFAL-WOPDTQHZSA-N 3 1 211.353 0.988 20 0 BCADMP C1C[C@@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@@H+]2C1 ZINC000310066879 411201544 /nfs/dbraw/zinc/20/15/44/411201544.db2.gz BTELLSHBTBNHKF-WCQYABFASA-N 2 1 240.347 0.618 20 0 BCADMP C1C[C@@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@H+]2C1 ZINC000310066879 411201545 /nfs/dbraw/zinc/20/15/45/411201545.db2.gz BTELLSHBTBNHKF-WCQYABFASA-N 2 1 240.347 0.618 20 0 BCADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@](C)(O)C[NH2+]C ZINC000652337105 411203627 /nfs/dbraw/zinc/20/36/27/411203627.db2.gz KAPQFBITQONNRJ-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H](O)C[NH3+] ZINC000652341096 411205608 /nfs/dbraw/zinc/20/56/08/411205608.db2.gz BPGDVOXUETYJMD-AWEZNQCLSA-N 3 1 249.358 0.084 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H](O)C[NH3+] ZINC000652341096 411205609 /nfs/dbraw/zinc/20/56/09/411205609.db2.gz BPGDVOXUETYJMD-AWEZNQCLSA-N 3 1 249.358 0.084 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029135 411205637 /nfs/dbraw/zinc/20/56/37/411205637.db2.gz GOZNTCUDPHZNFG-ODWCKFRGSA-N 2 1 249.362 0.881 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349250 411211110 /nfs/dbraw/zinc/21/11/10/411211110.db2.gz HVDDOKXVRZOAJX-QJPTWQEYSA-N 2 1 227.352 0.163 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349250 411211112 /nfs/dbraw/zinc/21/11/12/411211112.db2.gz HVDDOKXVRZOAJX-QJPTWQEYSA-N 2 1 227.352 0.163 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355975 411215361 /nfs/dbraw/zinc/21/53/61/411215361.db2.gz OIPUSRZBZGEIRO-VXGBXAGGSA-N 3 1 229.368 0.411 20 0 BCADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000658052303 411220350 /nfs/dbraw/zinc/22/03/50/411220350.db2.gz BSEKUDATUMPVTI-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659295455 411225530 /nfs/dbraw/zinc/22/55/30/411225530.db2.gz SEAKIFXZRRYEFA-LBPRGKRZSA-N 2 1 239.363 0.680 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655785697 411227662 /nfs/dbraw/zinc/22/76/62/411227662.db2.gz NDUVEUHFGMHDGG-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000655786038 411229102 /nfs/dbraw/zinc/22/91/02/411229102.db2.gz NRNCSEKGEKOION-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422884535 411233448 /nfs/dbraw/zinc/23/34/48/411233448.db2.gz XFYCVSAMCSYKIH-NWDGAFQWSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658086629 411233782 /nfs/dbraw/zinc/23/37/82/411233782.db2.gz CXAROCDIPIPHON-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612356 411236226 /nfs/dbraw/zinc/23/62/26/411236226.db2.gz WDLJTHMKBDDHCT-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)OC)[C@H](C)C1 ZINC000655787464 411236304 /nfs/dbraw/zinc/23/63/04/411236304.db2.gz WEKLEHODSRCPKP-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000310422144 411236586 /nfs/dbraw/zinc/23/65/86/411236586.db2.gz QVIBSFNSRAYOOJ-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000310422144 411236587 /nfs/dbraw/zinc/23/65/87/411236587.db2.gz QVIBSFNSRAYOOJ-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000310422144 411236589 /nfs/dbraw/zinc/23/65/89/411236589.db2.gz QVIBSFNSRAYOOJ-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000310477353 411237981 /nfs/dbraw/zinc/23/79/81/411237981.db2.gz CBOLPLWELUXRSP-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CS1 ZINC000655713366 411267127 /nfs/dbraw/zinc/26/71/27/411267127.db2.gz ZPHDXXMNEUIIEC-MXWKQRLJSA-N 2 1 232.393 0.783 20 0 BCADMP C[C@H](C[NH3+])n1cc(C[NH+]2CCCC2)nn1 ZINC000656458307 411267706 /nfs/dbraw/zinc/26/77/06/411267706.db2.gz UYWFTGQKXBXDNH-SECBINFHSA-N 2 1 209.297 0.394 20 0 BCADMP C[C@@H]([NH3+])Cn1cc(C[NH+]2CCCC2)nn1 ZINC000656462246 411270984 /nfs/dbraw/zinc/27/09/84/411270984.db2.gz BGVROIKWFVBBRP-SECBINFHSA-N 2 1 209.297 0.221 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH3+] ZINC000652559423 411271914 /nfs/dbraw/zinc/27/19/14/411271914.db2.gz PTIJFXKZPQKCLC-UHFFFAOYSA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659642456 411277606 /nfs/dbraw/zinc/27/76/06/411277606.db2.gz KOVQFQPUKLEUSO-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466401 411278073 /nfs/dbraw/zinc/27/80/73/411278073.db2.gz DMSTURSSQXGEBX-NSHDSACASA-N 2 1 221.308 0.408 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328069 411278850 /nfs/dbraw/zinc/27/88/50/411278850.db2.gz MCIHDRVYIHVLPG-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656467924 411279600 /nfs/dbraw/zinc/27/96/00/411279600.db2.gz HAJBQJZIRNEBPT-LBPRGKRZSA-N 2 1 235.335 0.798 20 0 BCADMP CCNC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919224 411286348 /nfs/dbraw/zinc/28/63/48/411286348.db2.gz TYFPHOWUZKUHRB-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CN(C)c1nc(N2CC3CC2(C[NH3+])C3)cc[nH+]1 ZINC000656611061 411310419 /nfs/dbraw/zinc/31/04/19/411310419.db2.gz RDJVISMYXQHJLD-UHFFFAOYSA-N 2 1 233.319 0.470 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259669 411318049 /nfs/dbraw/zinc/31/80/49/411318049.db2.gz NGGNMRYGWZBUBD-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](C)CO)CC1 ZINC000653727549 411257946 /nfs/dbraw/zinc/25/79/46/411257946.db2.gz DDKZARFKXFKOOR-GFCCVEGCSA-N 2 1 244.379 0.440 20 0 BCADMP [NH3+][C@H](c1cn(-c2cc[nH+]cc2)nn1)[C@@H]1CCCO1 ZINC000656440777 411259039 /nfs/dbraw/zinc/25/90/39/411259039.db2.gz NJRMFKHZVRSSKI-NWDGAFQWSA-N 2 1 245.286 0.841 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000631838993 411259941 /nfs/dbraw/zinc/25/99/41/411259941.db2.gz YAUNRGUTNJJPHI-MWLCHTKSSA-N 2 1 220.320 0.690 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])[C@@H](CC)CO1 ZINC000403791896 411360091 /nfs/dbraw/zinc/36/00/91/411360091.db2.gz IQCQJDOTOHGTAF-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000656790727 411370343 /nfs/dbraw/zinc/37/03/43/411370343.db2.gz LZYQGHGYXHKUKN-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000656790727 411370345 /nfs/dbraw/zinc/37/03/45/411370345.db2.gz LZYQGHGYXHKUKN-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2COCCO2)CC[NH2+]1 ZINC000656790583 411370676 /nfs/dbraw/zinc/37/06/76/411370676.db2.gz BSEVCROAIRLBNZ-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP CC(C)([NH3+])CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656791115 411370744 /nfs/dbraw/zinc/37/07/44/411370744.db2.gz UBCTVEJKSHNEGL-LLVKDONJSA-N 2 1 227.352 0.130 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710568 411335749 /nfs/dbraw/zinc/33/57/49/411335749.db2.gz KAFOOKPBFRNRKS-VHSXEESVSA-N 2 1 236.306 0.934 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000069839785 411371994 /nfs/dbraw/zinc/37/19/94/411371994.db2.gz AILKYRUDLVTWTG-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cn(C)nn2)CC[NH2+]1 ZINC000656792136 411372138 /nfs/dbraw/zinc/37/21/38/411372138.db2.gz OCDGGQFMIQGMDQ-QWRGUYRKSA-N 2 1 237.351 0.635 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249241 168295481 /nfs/dbraw/zinc/29/54/81/168295481.db2.gz WFILDPGXIYGOCM-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249241 168295482 /nfs/dbraw/zinc/29/54/82/168295482.db2.gz WFILDPGXIYGOCM-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633395 411457235 /nfs/dbraw/zinc/45/72/35/411457235.db2.gz IHKISYDZKVHMJR-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633763 411457683 /nfs/dbraw/zinc/45/76/83/411457683.db2.gz HDMUCWVRHZOXBF-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243814 411459208 /nfs/dbraw/zinc/45/92/08/411459208.db2.gz CSQMCBRPOUSGNB-LLVKDONJSA-N 2 1 248.330 0.450 20 0 BCADMP C[C@H]1CCC[N@@H+](CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413792 411394668 /nfs/dbraw/zinc/39/46/68/411394668.db2.gz ZPKQQIRBGZZKIB-NWDGAFQWSA-N 2 1 237.351 0.727 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404436055 411396313 /nfs/dbraw/zinc/39/63/13/411396313.db2.gz RKDUCOVTRWDPMU-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]CC1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000653044195 411401649 /nfs/dbraw/zinc/40/16/49/411401649.db2.gz WNSGGFTWGAWYTO-UHFFFAOYSA-N 2 1 235.278 0.168 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046195 411402404 /nfs/dbraw/zinc/40/24/04/411402404.db2.gz NITNMQPIKXSRCE-QMMMGPOBSA-N 2 1 235.278 0.229 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000126883928 411461525 /nfs/dbraw/zinc/46/15/25/411461525.db2.gz DQODFOPTIOEVDE-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CCNC(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653498731 411413122 /nfs/dbraw/zinc/41/31/22/411413122.db2.gz KJIVQZGSZDMSPJ-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP CCNC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653498731 411413124 /nfs/dbraw/zinc/41/31/24/411413124.db2.gz KJIVQZGSZDMSPJ-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659456777 411417267 /nfs/dbraw/zinc/41/72/67/411417267.db2.gz SFSIYPAFPMCLNH-UWVGGRQHSA-N 2 1 240.351 0.130 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659456779 411417368 /nfs/dbraw/zinc/41/73/68/411417368.db2.gz SFSIYPAFPMCLNH-ZJUUUORDSA-N 2 1 240.351 0.130 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564745 411422632 /nfs/dbraw/zinc/42/26/32/411422632.db2.gz KFKMETUCRZJPBS-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564745 411422633 /nfs/dbraw/zinc/42/26/33/411422633.db2.gz KFKMETUCRZJPBS-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000653564745 411422634 /nfs/dbraw/zinc/42/26/34/411422634.db2.gz KFKMETUCRZJPBS-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1COC ZINC000653564745 411422635 /nfs/dbraw/zinc/42/26/35/411422635.db2.gz KFKMETUCRZJPBS-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659529899 411430430 /nfs/dbraw/zinc/43/04/30/411430430.db2.gz MRCLHBCWNMKUJX-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513485 411432873 /nfs/dbraw/zinc/43/28/73/411432873.db2.gz GNUCMPZQOUIYHK-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611148 411441415 /nfs/dbraw/zinc/44/14/15/411441415.db2.gz PTOWBAKJDYTUGX-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405827619 411441934 /nfs/dbraw/zinc/44/19/34/411441934.db2.gz YMHVFJLAIZRFGQ-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000405825356 411442758 /nfs/dbraw/zinc/44/27/58/411442758.db2.gz XUQZKWSRMGMKMN-ZIAGYGMSSA-N 2 1 249.358 0.920 20 0 BCADMP Cc1[nH+]cc(CNCCC[NH+](C)C)n1C ZINC000657287844 411446753 /nfs/dbraw/zinc/44/67/53/411446753.db2.gz YPTWNEMLYMEZOQ-UHFFFAOYSA-N 2 1 210.325 0.770 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000659647574 411447728 /nfs/dbraw/zinc/44/77/28/411447728.db2.gz VHYYQAURDHNXIV-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979549 411478682 /nfs/dbraw/zinc/47/86/82/411478682.db2.gz UMPIJDJYPTXYLW-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000655051500 411485494 /nfs/dbraw/zinc/48/54/94/411485494.db2.gz DDOBNDQQWRPRPN-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000655051500 411485498 /nfs/dbraw/zinc/48/54/98/411485498.db2.gz DDOBNDQQWRPRPN-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000655051500 411485501 /nfs/dbraw/zinc/48/55/01/411485501.db2.gz DDOBNDQQWRPRPN-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP COC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000659947058 411507415 /nfs/dbraw/zinc/50/74/15/411507415.db2.gz JNUUQPXCHKVTJB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000659947058 411507418 /nfs/dbraw/zinc/50/74/18/411507418.db2.gz JNUUQPXCHKVTJB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000659947058 411507419 /nfs/dbraw/zinc/50/74/19/411507419.db2.gz JNUUQPXCHKVTJB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547112 411517053 /nfs/dbraw/zinc/51/70/53/411517053.db2.gz AUTZHMRIFXFOFZ-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547115 411517217 /nfs/dbraw/zinc/51/72/17/411517217.db2.gz AUTZHMRIFXFOFZ-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527266 /nfs/dbraw/zinc/52/72/66/411527266.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527269 /nfs/dbraw/zinc/52/72/69/411527269.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527270 /nfs/dbraw/zinc/52/72/70/411527270.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527273 /nfs/dbraw/zinc/52/72/73/411527273.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527274 /nfs/dbraw/zinc/52/72/74/411527274.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527276 /nfs/dbraw/zinc/52/72/76/411527276.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527278 /nfs/dbraw/zinc/52/72/78/411527278.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 1 249.362 0.763 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484131 170008131 /nfs/dbraw/zinc/00/81/31/170008131.db2.gz KQCMRFTWAQBPCZ-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000356990366 170008270 /nfs/dbraw/zinc/00/82/70/170008270.db2.gz MEBKSJMKTCOPSP-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCO)C[C@@H]1C ZINC000336670381 170010784 /nfs/dbraw/zinc/01/07/84/170010784.db2.gz GJAIFTYDOFSICW-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCO)C[C@@H]1C ZINC000336670381 170010785 /nfs/dbraw/zinc/01/07/85/170010785.db2.gz GJAIFTYDOFSICW-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000044802678 170015163 /nfs/dbraw/zinc/01/51/63/170015163.db2.gz CGJLNBXIIXGZMU-VHSXEESVSA-N 2 1 213.325 0.039 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000356990379 170015676 /nfs/dbraw/zinc/01/56/76/170015676.db2.gz MEBKSJMKTCOPSP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000356990379 170015677 /nfs/dbraw/zinc/01/56/77/170015677.db2.gz MEBKSJMKTCOPSP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000356990379 170015678 /nfs/dbraw/zinc/01/56/78/170015678.db2.gz MEBKSJMKTCOPSP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195364 170016708 /nfs/dbraw/zinc/01/67/08/170016708.db2.gz UAJSUKJGWPIBRH-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000082394290 170017068 /nfs/dbraw/zinc/01/70/68/170017068.db2.gz AQHRMLKOEICWPN-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000082394290 170017070 /nfs/dbraw/zinc/01/70/70/170017070.db2.gz AQHRMLKOEICWPN-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018396 /nfs/dbraw/zinc/01/83/96/170018396.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018398 /nfs/dbraw/zinc/01/83/98/170018398.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018399 /nfs/dbraw/zinc/01/83/99/170018399.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 3 1 243.395 0.624 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018401 /nfs/dbraw/zinc/01/84/01/170018401.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 2 1 243.395 0.624 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018402 /nfs/dbraw/zinc/01/84/02/170018402.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 2 1 243.395 0.624 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130879 170020643 /nfs/dbraw/zinc/02/06/43/170020643.db2.gz MZNYLUSXAQBZNU-AVGNSLFASA-N 2 1 243.395 0.229 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@H](C)C1 ZINC000336778402 170020869 /nfs/dbraw/zinc/02/08/69/170020869.db2.gz LHIZJRSNACUMCZ-KXUCPTDWSA-N 2 1 236.306 0.932 20 0 BCADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C)[C@H](C)C1 ZINC000308864805 170021468 /nfs/dbraw/zinc/02/14/68/170021468.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864805 170021470 /nfs/dbraw/zinc/02/14/70/170021470.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864805 170021472 /nfs/dbraw/zinc/02/14/72/170021472.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000043497659 170056119 /nfs/dbraw/zinc/05/61/19/170056119.db2.gz DEGHXUVSQBGVDS-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366409839 170114860 /nfs/dbraw/zinc/11/48/60/170114860.db2.gz ZUBZWXURLXRQDO-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000042409178 170257781 /nfs/dbraw/zinc/25/77/81/170257781.db2.gz HLNLPRPWAKHWQI-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000042409178 170257783 /nfs/dbraw/zinc/25/77/83/170257783.db2.gz HLNLPRPWAKHWQI-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946162 411562911 /nfs/dbraw/zinc/56/29/11/411562911.db2.gz XXQNMIJRLYJCMR-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000332485990 170331308 /nfs/dbraw/zinc/33/13/08/170331308.db2.gz WPNFTZSPWDWLIB-CQLXCSJHSA-N 2 1 242.363 0.504 20 0 BCADMP CCOCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336680200 170374432 /nfs/dbraw/zinc/37/44/32/170374432.db2.gz IXHADOCFGBJOSQ-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657809009 411601869 /nfs/dbraw/zinc/60/18/69/411601869.db2.gz RVMQPDCUVLLQQQ-DDHJBXDOSA-N 2 1 210.321 0.726 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836914 411609315 /nfs/dbraw/zinc/60/93/15/411609315.db2.gz XVHBZMZDPSBIGG-NWDGAFQWSA-N 2 1 249.362 0.741 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836915 411609407 /nfs/dbraw/zinc/60/94/07/411609407.db2.gz XVHBZMZDPSBIGG-RYUDHWBXSA-N 2 1 249.362 0.741 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659374 411614346 /nfs/dbraw/zinc/61/43/46/411614346.db2.gz ORVPHAGNRNXCMI-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659374 411614347 /nfs/dbraw/zinc/61/43/47/411614347.db2.gz ORVPHAGNRNXCMI-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659374 411614349 /nfs/dbraw/zinc/61/43/49/411614349.db2.gz ORVPHAGNRNXCMI-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCSCC1 ZINC000657876515 411614989 /nfs/dbraw/zinc/61/49/89/411614989.db2.gz XJHHKHFDIOTJLV-QWRGUYRKSA-N 2 1 232.393 0.784 20 0 BCADMP c1cn(CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cn1 ZINC000661145414 411718697 /nfs/dbraw/zinc/71/86/97/411718697.db2.gz LLZBEWFWTTWJHM-GFCCVEGCSA-N 2 1 246.318 0.497 20 0 BCADMP C[N@@H+](CCOC(C)(C)C)CCN1CC[NH2+]CC1 ZINC000133348854 411716848 /nfs/dbraw/zinc/71/68/48/411716848.db2.gz DRVJGUQILQRUAZ-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP [NH3+]CC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663493433 411672416 /nfs/dbraw/zinc/67/24/16/411672416.db2.gz BPEFZMNQIIHSFC-NEPJUHHUSA-N 2 1 209.337 0.267 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000663494285 411672654 /nfs/dbraw/zinc/67/26/54/411672654.db2.gz NHQLUCASYGAOOO-XJFOESAGSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000663494285 411672659 /nfs/dbraw/zinc/67/26/59/411672659.db2.gz NHQLUCASYGAOOO-XJFOESAGSA-N 2 1 237.391 0.916 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506116 411687162 /nfs/dbraw/zinc/68/71/62/411687162.db2.gz QAQXCQQVGGFYBU-NNYUYHANSA-N 2 1 229.343 0.746 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506117 411687280 /nfs/dbraw/zinc/68/72/80/411687280.db2.gz QAQXCQQVGGFYBU-WRWGMCAJSA-N 2 1 229.343 0.746 20 0 BCADMP CC[C@@H](O)C[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000644582883 411730151 /nfs/dbraw/zinc/73/01/51/411730151.db2.gz ILOLGTFSUYCBFR-GFCCVEGCSA-N 2 1 237.347 1.553 20 0 BCADMP Cc1nc(N[C@H](C)[C@@H](C)[NH3+])c(C)c(C)[nH+]1 ZINC000420261075 411759657 /nfs/dbraw/zinc/75/96/57/411759657.db2.gz KFGVHEGCDKWJGM-VXNVDRBHSA-N 2 1 208.309 1.549 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000394487731 411825197 /nfs/dbraw/zinc/82/51/97/411825197.db2.gz IPNDATGBKQGDNV-HTQZYQBOSA-N 2 1 209.297 0.690 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859267 /nfs/dbraw/zinc/85/92/67/411859267.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859268 /nfs/dbraw/zinc/85/92/68/411859268.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859273 /nfs/dbraw/zinc/85/92/73/411859273.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 2 1 224.348 0.927 20 0 BCADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccnc(N)c1 ZINC000420367459 411862256 /nfs/dbraw/zinc/86/22/56/411862256.db2.gz SFSQFNFENJUYBI-SNVBAGLBSA-N 2 1 222.336 1.127 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccnc(N)c1 ZINC000420367459 411862265 /nfs/dbraw/zinc/86/22/65/411862265.db2.gz SFSQFNFENJUYBI-SNVBAGLBSA-N 2 1 222.336 1.127 20 0 BCADMP CN1CCN(CC[C@H]2CCC[N@H+]2C)CCC1=O ZINC000661807117 411887581 /nfs/dbraw/zinc/88/75/81/411887581.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC1([NH2+]Cc2cnc(N)s2)CC[NH2+]CC1 ZINC000572523006 411890623 /nfs/dbraw/zinc/89/06/23/411890623.db2.gz RMDCEIQZKNZPME-UHFFFAOYSA-N 2 1 226.349 0.957 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647493398 411901928 /nfs/dbraw/zinc/90/19/28/411901928.db2.gz LSZWGUGUWUSRKC-LLVKDONJSA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647493398 411901931 /nfs/dbraw/zinc/90/19/31/411901931.db2.gz LSZWGUGUWUSRKC-LLVKDONJSA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(N)s1 ZINC000572762687 411901982 /nfs/dbraw/zinc/90/19/82/411901982.db2.gz ALZLTLSQIOSWMK-ZETCQYMHSA-N 2 1 214.338 0.670 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647551711 411907320 /nfs/dbraw/zinc/90/73/20/411907320.db2.gz DYWWJDMDPPSSEX-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000568983418 411909563 /nfs/dbraw/zinc/90/95/63/411909563.db2.gz JLVYPHFQSCXGCX-APPZFPTMSA-N 2 1 226.349 0.813 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N)nc2)CC[NH2+]1 ZINC000647547094 411911598 /nfs/dbraw/zinc/91/15/98/411911598.db2.gz NLWPGOZMGHVLGO-MWLCHTKSSA-N 2 1 220.320 0.894 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)(CO)C1 ZINC000661948256 411918735 /nfs/dbraw/zinc/91/87/35/411918735.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC(CO)(CO)C1 ZINC000661948256 411918737 /nfs/dbraw/zinc/91/87/37/411918737.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC(CO)(CO)C1 ZINC000661948256 411918739 /nfs/dbraw/zinc/91/87/39/411918739.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP Nc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000567049329 411939983 /nfs/dbraw/zinc/93/99/83/411939983.db2.gz ODKOTDCNDFVFOP-ZDUSSCGKSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000567049329 411939989 /nfs/dbraw/zinc/93/99/89/411939989.db2.gz ODKOTDCNDFVFOP-ZDUSSCGKSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000647979545 411941592 /nfs/dbraw/zinc/94/15/92/411941592.db2.gz NMDKJSILXBFSQM-BETUJISGSA-N 2 1 246.358 1.095 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000665669513 411987870 /nfs/dbraw/zinc/98/78/70/411987870.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000665669513 411987879 /nfs/dbraw/zinc/98/78/79/411987879.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000665669513 411987882 /nfs/dbraw/zinc/98/78/82/411987882.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000665669513 411987887 /nfs/dbraw/zinc/98/78/87/411987887.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153146 412008430 /nfs/dbraw/zinc/00/84/30/412008430.db2.gz OIGQVLOKSKXICT-WCQYABFASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153146 412008432 /nfs/dbraw/zinc/00/84/32/412008432.db2.gz OIGQVLOKSKXICT-WCQYABFASA-N 2 1 242.363 0.146 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149319 412009041 /nfs/dbraw/zinc/00/90/41/412009041.db2.gz MWFAFLADLSKGPK-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662149319 412009044 /nfs/dbraw/zinc/00/90/44/412009044.db2.gz MWFAFLADLSKGPK-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149088 412009771 /nfs/dbraw/zinc/00/97/71/412009771.db2.gz MWFAFLADLSKGPK-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662149088 412009773 /nfs/dbraw/zinc/00/97/73/412009773.db2.gz MWFAFLADLSKGPK-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000664718254 412012806 /nfs/dbraw/zinc/01/28/06/412012806.db2.gz BFNZOVLHLQHFKH-PHIMTYICSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033217 411950989 /nfs/dbraw/zinc/95/09/89/411950989.db2.gz IXKLZTGDZRJDFO-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033217 411950993 /nfs/dbraw/zinc/95/09/93/411950993.db2.gz IXKLZTGDZRJDFO-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033217 411950995 /nfs/dbraw/zinc/95/09/95/411950995.db2.gz IXKLZTGDZRJDFO-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033217 411950999 /nfs/dbraw/zinc/95/09/99/411950999.db2.gz IXKLZTGDZRJDFO-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662246409 412042731 /nfs/dbraw/zinc/04/27/31/412042731.db2.gz RTXGKQTZSMIMQP-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249712 412046465 /nfs/dbraw/zinc/04/64/65/412046465.db2.gz YIKYFLFRANKPDO-WDEREUQCSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249712 412046469 /nfs/dbraw/zinc/04/64/69/412046469.db2.gz YIKYFLFRANKPDO-WDEREUQCSA-N 2 1 226.320 0.228 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248947 412047682 /nfs/dbraw/zinc/04/76/82/412047682.db2.gz MFXSHFPHKPVIFI-JTQLQIEISA-N 2 1 214.309 0.086 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249706 412047848 /nfs/dbraw/zinc/04/78/48/412047848.db2.gz YHVVGQLVYFWPAE-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)CO1 ZINC000662252011 412050153 /nfs/dbraw/zinc/05/01/53/412050153.db2.gz LAVWOKHBCSFORW-TUAOUCFPSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255252 412051503 /nfs/dbraw/zinc/05/15/03/412051503.db2.gz BOCLAASHNSJMQA-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP CCN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257192 412051700 /nfs/dbraw/zinc/05/17/00/412051700.db2.gz BJLJJPFUIKFVSB-GFCCVEGCSA-N 2 1 239.363 0.145 20 0 BCADMP C[N@@H+](Cc1cnccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261471 412053257 /nfs/dbraw/zinc/05/32/57/412053257.db2.gz ZJRYNALDNSUMIL-GFCCVEGCSA-N 2 1 248.330 0.429 20 0 BCADMP C[N@H+](Cc1cnccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261471 412053261 /nfs/dbraw/zinc/05/32/61/412053261.db2.gz ZJRYNALDNSUMIL-GFCCVEGCSA-N 2 1 248.330 0.429 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259002 412054173 /nfs/dbraw/zinc/05/41/73/412054173.db2.gz NYEPJBJXRJYCOA-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP CC1([NH3+])CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662270049 412060458 /nfs/dbraw/zinc/06/04/58/412060458.db2.gz HKUBPTZHJZXVNF-NSHDSACASA-N 2 1 239.363 0.321 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308613482 171043645 /nfs/dbraw/zinc/04/36/45/171043645.db2.gz RFRCYJGFUDRCBD-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CC1([NH3+])CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662270048 412061333 /nfs/dbraw/zinc/06/13/33/412061333.db2.gz HKUBPTZHJZXVNF-LLVKDONJSA-N 2 1 239.363 0.321 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662270115 412061410 /nfs/dbraw/zinc/06/14/10/412061410.db2.gz IJOGDHAFHOSHRO-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](CN)C1CC1 ZINC000662272651 412062144 /nfs/dbraw/zinc/06/21/44/412062144.db2.gz HKNOYPGYDJQYOJ-NWDGAFQWSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](CN)C1CC1 ZINC000662272651 412062147 /nfs/dbraw/zinc/06/21/47/412062147.db2.gz HKNOYPGYDJQYOJ-NWDGAFQWSA-N 2 1 239.363 0.177 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C ZINC000370768135 171099071 /nfs/dbraw/zinc/09/90/71/171099071.db2.gz YMPWUUVPALFSLM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000245918395 171099525 /nfs/dbraw/zinc/09/95/25/171099525.db2.gz GSPXXSMGUOXOFC-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000245918389 171100130 /nfs/dbraw/zinc/10/01/30/171100130.db2.gz GSPXXSMGUOXOFC-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662273756 412064500 /nfs/dbraw/zinc/06/45/00/412064500.db2.gz ZWGJNEINKKNYRM-NWDGAFQWSA-N 2 1 227.352 0.036 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CNCCO1 ZINC000662273199 412064968 /nfs/dbraw/zinc/06/49/68/412064968.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CNCCO1 ZINC000662273199 412064976 /nfs/dbraw/zinc/06/49/76/412064976.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 2 1 227.352 0.178 20 0 BCADMP COC[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)OC ZINC000662273734 412065626 /nfs/dbraw/zinc/06/56/26/412065626.db2.gz ZIFGJYIDTBNCDU-NWDGAFQWSA-N 2 1 230.352 0.709 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCC1 ZINC000662275607 412067093 /nfs/dbraw/zinc/06/70/93/412067093.db2.gz CYQFNCOPTXQCOZ-GHMZBOCLSA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000353474227 171148489 /nfs/dbraw/zinc/14/84/89/171148489.db2.gz VOXBXTADWROICB-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000662276903 412068896 /nfs/dbraw/zinc/06/88/96/412068896.db2.gz NDEVHCMDURRTPB-OLZOCXBDSA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)OC ZINC000662282057 412072248 /nfs/dbraw/zinc/07/22/48/412072248.db2.gz CKJWBPFLIWSPDI-LLVKDONJSA-N 2 1 228.336 0.476 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OC ZINC000662282619 412073266 /nfs/dbraw/zinc/07/32/66/412073266.db2.gz PDQFWEYNNFHKQX-TUAOUCFPSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OC ZINC000662284204 412075015 /nfs/dbraw/zinc/07/50/15/412075015.db2.gz GATFSVOTRIGTND-XQQFMLRXSA-N 2 1 242.363 0.709 20 0 BCADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662300786 412085778 /nfs/dbraw/zinc/08/57/78/412085778.db2.gz JOGMMXWECHYYKH-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662294917 412083988 /nfs/dbraw/zinc/08/39/88/412083988.db2.gz GYPRGSUOQAPVIN-NSHDSACASA-N 2 1 223.324 0.210 20 0 BCADMP CC[C@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273329 171304881 /nfs/dbraw/zinc/30/48/81/171304881.db2.gz GPXZAWSZBFGUBT-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273329 171304883 /nfs/dbraw/zinc/30/48/83/171304883.db2.gz GPXZAWSZBFGUBT-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000248875144 171306956 /nfs/dbraw/zinc/30/69/56/171306956.db2.gz QKINOFYTZWYNRU-QWRGUYRKSA-N 2 1 229.368 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074210 171325812 /nfs/dbraw/zinc/32/58/12/171325812.db2.gz HQVBZERFBOSMGL-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP Nc1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662287037 412080203 /nfs/dbraw/zinc/08/02/03/412080203.db2.gz QMLOFRZZCJKBMS-UHFFFAOYSA-N 2 1 235.331 0.473 20 0 BCADMP NCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291944 412081482 /nfs/dbraw/zinc/08/14/82/412081482.db2.gz AUUTVTWYXJKPGA-GFCCVEGCSA-N 2 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291944 412081486 /nfs/dbraw/zinc/08/14/86/412081486.db2.gz AUUTVTWYXJKPGA-GFCCVEGCSA-N 2 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291944 412081490 /nfs/dbraw/zinc/08/14/90/412081490.db2.gz AUUTVTWYXJKPGA-GFCCVEGCSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291944 412081493 /nfs/dbraw/zinc/08/14/93/412081493.db2.gz AUUTVTWYXJKPGA-GFCCVEGCSA-N 3 1 211.353 0.657 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300354458 171369844 /nfs/dbraw/zinc/36/98/44/171369844.db2.gz AGVOFGJOZDXFDY-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224046669 171370691 /nfs/dbraw/zinc/37/06/91/171370691.db2.gz OQQQKSNVYKXHSN-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133201 171371240 /nfs/dbraw/zinc/37/12/40/171371240.db2.gz SOSFHJFTKIUKQD-VHSXEESVSA-N 2 1 215.341 0.428 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380461 171395030 /nfs/dbraw/zinc/39/50/30/171395030.db2.gz ARFQBLDTNXMOJA-QWRGUYRKSA-N 2 1 245.367 0.054 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662303391 412088187 /nfs/dbraw/zinc/08/81/87/412088187.db2.gz BULJLAFFYQEOGG-PNESKVBLSA-N 3 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662303391 412088189 /nfs/dbraw/zinc/08/81/89/412088189.db2.gz BULJLAFFYQEOGG-PNESKVBLSA-N 2 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662303391 412088192 /nfs/dbraw/zinc/08/81/92/412088192.db2.gz BULJLAFFYQEOGG-PNESKVBLSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]CC12CC(C1)CN2CC[C@H]1CCC[NH2+]C1 ZINC000662303391 412088195 /nfs/dbraw/zinc/08/81/95/412088195.db2.gz BULJLAFFYQEOGG-PNESKVBLSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CCOCC1 ZINC000662304201 412088382 /nfs/dbraw/zinc/08/83/82/412088382.db2.gz MPZVJCUPWHUHNF-UHFFFAOYSA-N 2 1 210.321 0.836 20 0 BCADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662302589 412088399 /nfs/dbraw/zinc/08/83/99/412088399.db2.gz NBKMHGSKTINPLF-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662303390 412089893 /nfs/dbraw/zinc/08/98/93/412089893.db2.gz BULJLAFFYQEOGG-HIFPTAJRSA-N 3 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662303390 412089896 /nfs/dbraw/zinc/08/98/96/412089896.db2.gz BULJLAFFYQEOGG-HIFPTAJRSA-N 2 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662303390 412089900 /nfs/dbraw/zinc/08/99/00/412089900.db2.gz BULJLAFFYQEOGG-HIFPTAJRSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]CC12CC(C1)CN2CC[C@@H]1CCC[NH2+]C1 ZINC000662303390 412089904 /nfs/dbraw/zinc/08/99/04/412089904.db2.gz BULJLAFFYQEOGG-HIFPTAJRSA-N 2 1 223.364 0.799 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC3CC2(C[NH3+])C3)CCO1 ZINC000662305279 412090790 /nfs/dbraw/zinc/09/07/90/412090790.db2.gz HAOZIFRTCRIMGE-PNESKVBLSA-N 2 1 239.363 0.130 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC3CC2(C[NH3+])C3)CCO1 ZINC000662305279 412090795 /nfs/dbraw/zinc/09/07/95/412090795.db2.gz HAOZIFRTCRIMGE-PNESKVBLSA-N 2 1 239.363 0.130 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312204 412093791 /nfs/dbraw/zinc/09/37/91/412093791.db2.gz XMPJXTAEXQJKFU-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662318015 412097976 /nfs/dbraw/zinc/09/79/76/412097976.db2.gz VYJHELDVIASTGM-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP c1cnc2c(n1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662318366 412099304 /nfs/dbraw/zinc/09/93/04/412099304.db2.gz ZGEOUZXCSRNNNE-LLVKDONJSA-N 2 1 232.331 0.834 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000662389434 412141898 /nfs/dbraw/zinc/14/18/98/412141898.db2.gz XIZNJNVNQZFTEJ-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]([NH2+]C/C=C/CO)c1c[nH+]ccc1N ZINC000665239119 412181155 /nfs/dbraw/zinc/18/11/55/412181155.db2.gz MFQVMMDUBPSXSL-GKQMSVHHSA-N 2 1 207.277 0.693 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000662457592 412181441 /nfs/dbraw/zinc/18/14/41/412181441.db2.gz AYJQHJGQHGPONG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000665243354 412186980 /nfs/dbraw/zinc/18/69/80/412186980.db2.gz AXYINMFMNVBZLU-GARJFASQSA-N 2 1 209.337 0.563 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662497430 412193710 /nfs/dbraw/zinc/19/37/10/412193710.db2.gz IESDRMMPOMUNOJ-WCABBAIRSA-N 2 1 225.336 0.193 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662539918 412208146 /nfs/dbraw/zinc/20/81/46/412208146.db2.gz OAMDPZQLNAEEHS-NHCYSSNCSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662539920 412208285 /nfs/dbraw/zinc/20/82/85/412208285.db2.gz OAMDPZQLNAEEHS-UMNHJUIQSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000662410561 412154554 /nfs/dbraw/zinc/15/45/54/412154554.db2.gz SHVIIBQBQLUXIX-ONGXEEELSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681163 412269515 /nfs/dbraw/zinc/26/95/15/412269515.db2.gz VPCYDFLXVVGOSJ-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704213 412276346 /nfs/dbraw/zinc/27/63/46/412276346.db2.gz WRMDXHLUVHFRIH-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662731468 412286672 /nfs/dbraw/zinc/28/66/72/412286672.db2.gz DFWHCWPBYBRLAT-DBIOUOCHSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H](C)O1 ZINC000665280063 412225124 /nfs/dbraw/zinc/22/51/24/412225124.db2.gz SDRBDRGUNSBZME-GRGSRKJBSA-N 2 1 210.321 0.894 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000662585547 412231153 /nfs/dbraw/zinc/23/11/53/412231153.db2.gz JXKNURNBBFBBLW-SECBINFHSA-N 2 1 222.292 0.366 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593561 412233292 /nfs/dbraw/zinc/23/32/92/412233292.db2.gz PHUOUVXHQFNHRB-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662592713 412233444 /nfs/dbraw/zinc/23/34/44/412233444.db2.gz JQKZWFAJLQUVSV-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593620 412233731 /nfs/dbraw/zinc/23/37/31/412233731.db2.gz PQACUYZOGJMESC-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000662593564 412233990 /nfs/dbraw/zinc/23/39/90/412233990.db2.gz PIEYUOXZLPIFTH-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662608209 412238385 /nfs/dbraw/zinc/23/83/85/412238385.db2.gz JVVVCKIRSPCOII-UHFFFAOYSA-N 2 1 215.341 0.522 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619955 412244293 /nfs/dbraw/zinc/24/42/93/412244293.db2.gz RLOGMNPQFWMKTO-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621846 412244369 /nfs/dbraw/zinc/24/43/69/412244369.db2.gz XMIUPZRYNLVASF-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662838148 412316578 /nfs/dbraw/zinc/31/65/78/412316578.db2.gz MCIPNLXRLHLLKV-NWDGAFQWSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662838147 412316589 /nfs/dbraw/zinc/31/65/89/412316589.db2.gz MCIPNLXRLHLLKV-NEPJUHHUSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837776 412317011 /nfs/dbraw/zinc/31/70/11/412317011.db2.gz KZICEJBNLOMQAC-DCAQKATOSA-N 2 1 225.336 0.467 20 0 BCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840082 412318443 /nfs/dbraw/zinc/31/84/43/412318443.db2.gz XNKDHWHFMXNZTH-TUAOUCFPSA-N 2 1 237.347 0.481 20 0 BCADMP [NH3+]CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000573 412366764 /nfs/dbraw/zinc/36/67/64/412366764.db2.gz JVNGBXRRJOMMLW-LLVKDONJSA-N 2 1 225.336 0.183 20 0 BCADMP Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)CN)no1 ZINC000382981247 412341342 /nfs/dbraw/zinc/34/13/42/412341342.db2.gz UNIRYGPMNAFJJI-MRVPVSSYSA-N 2 1 240.307 0.591 20 0 BCADMP Cc1cc(NC(=O)CC[N@H+](C)[C@H](C)CN)no1 ZINC000382981247 412341343 /nfs/dbraw/zinc/34/13/43/412341343.db2.gz UNIRYGPMNAFJJI-MRVPVSSYSA-N 2 1 240.307 0.591 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000132922016 412358847 /nfs/dbraw/zinc/35/88/47/412358847.db2.gz RZJIMMLDNPRCAC-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000662746229 412289990 /nfs/dbraw/zinc/28/99/90/412289990.db2.gz SBTFOVBRLNDWKA-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662747289 412290265 /nfs/dbraw/zinc/29/02/65/412290265.db2.gz YZYWPXZIPVMLGK-FIQHERPVSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999889 412365956 /nfs/dbraw/zinc/36/59/56/412365956.db2.gz CWHVKDUVLJZTTM-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999888 412365989 /nfs/dbraw/zinc/36/59/89/412365989.db2.gz CWHVKDUVLJZTTM-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662784002 412301967 /nfs/dbraw/zinc/30/19/67/412301967.db2.gz OICNFWONSCQMQC-SNVBAGLBSA-N 2 1 229.299 0.028 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795127 412305071 /nfs/dbraw/zinc/30/50/71/412305071.db2.gz XAQWVDNWXXWZMI-KKOKHZNYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CC[N@H+]1C ZINC000132971657 412378135 /nfs/dbraw/zinc/37/81/35/412378135.db2.gz HQYFURLOBGHIJY-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663234442 412396168 /nfs/dbraw/zinc/39/61/68/412396168.db2.gz SJAPDZPZATXLKE-JTQLQIEISA-N 2 1 210.325 0.591 20 0 BCADMP NC(=[NH2+])N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663234918 412396282 /nfs/dbraw/zinc/39/62/82/412396282.db2.gz WCFQNDAPTLWVGR-NXEZZACHSA-N 2 1 238.335 0.113 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304633459 172358455 /nfs/dbraw/zinc/35/84/55/172358455.db2.gz VVHBGAHWODAVBM-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397038 172365080 /nfs/dbraw/zinc/36/50/80/172365080.db2.gz SFAOUWHZTMKIQU-PHIMTYICSA-N 2 1 225.336 0.006 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000309204173 173012047 /nfs/dbraw/zinc/01/20/47/173012047.db2.gz MBSMDCSHGPUZJH-QMMMGPOBSA-N 2 1 235.278 0.133 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CC(N)=O ZINC000309544291 173027113 /nfs/dbraw/zinc/02/71/13/173027113.db2.gz GNKGSSWNCHGUMN-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000232228643 173030635 /nfs/dbraw/zinc/03/06/35/173030635.db2.gz SSBUTFQFLWPDJW-SECBINFHSA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000232228643 173030636 /nfs/dbraw/zinc/03/06/36/173030636.db2.gz SSBUTFQFLWPDJW-SECBINFHSA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262369 173032783 /nfs/dbraw/zinc/03/27/83/173032783.db2.gz LGEQTKZOYYBGFR-GHMZBOCLSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261585 173035044 /nfs/dbraw/zinc/03/50/44/173035044.db2.gz AWGADRZJBCYAAS-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@H]3O)CC[C@H]21 ZINC000310212398 173036987 /nfs/dbraw/zinc/03/69/87/173036987.db2.gz HCJCTDSGZZUSMI-FDYHWXHSSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3COC[C@H]3O)CC[C@H]21 ZINC000310212398 173036990 /nfs/dbraw/zinc/03/69/90/173036990.db2.gz HCJCTDSGZZUSMI-FDYHWXHSSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3COC[C@H]3O)CC[C@H]21 ZINC000310212398 173036991 /nfs/dbraw/zinc/03/69/91/173036991.db2.gz HCJCTDSGZZUSMI-FDYHWXHSSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000354291774 173050675 /nfs/dbraw/zinc/05/06/75/173050675.db2.gz PEJNUMALFPYHOH-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567326 173053626 /nfs/dbraw/zinc/05/36/26/173053626.db2.gz ULOFPQZHDOMSEW-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567326 173053629 /nfs/dbraw/zinc/05/36/29/173053629.db2.gz ULOFPQZHDOMSEW-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567326 173053633 /nfs/dbraw/zinc/05/36/33/173053633.db2.gz ULOFPQZHDOMSEW-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424845 173055184 /nfs/dbraw/zinc/05/51/84/173055184.db2.gz XXQABRKUHWBNPB-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309221328 173057462 /nfs/dbraw/zinc/05/74/62/173057462.db2.gz YEAFOXKKCHNACM-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP C[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000019518393 173066945 /nfs/dbraw/zinc/06/69/45/173066945.db2.gz DJVHYRYJCAAGDA-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070251779 173070866 /nfs/dbraw/zinc/07/08/66/173070866.db2.gz SBVHJGCDZAWZND-LLVKDONJSA-N 2 1 237.347 0.150 20 0 BCADMP CN1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000266707264 173118955 /nfs/dbraw/zinc/11/89/55/173118955.db2.gz DXULNKBPQKONTI-LLVKDONJSA-N 2 1 248.330 0.820 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC[C@H]2CCOC2)C1 ZINC000336756422 173138399 /nfs/dbraw/zinc/13/83/99/173138399.db2.gz HANIANQPSFWIRM-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC[C@H]2CCOC2)C1 ZINC000336756422 173138400 /nfs/dbraw/zinc/13/84/00/173138400.db2.gz HANIANQPSFWIRM-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCCOC2)C1 ZINC000309444214 173138503 /nfs/dbraw/zinc/13/85/03/173138503.db2.gz JIFIUZJDJAQZLC-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCCOC2)C1 ZINC000309444214 173138506 /nfs/dbraw/zinc/13/85/06/173138506.db2.gz JIFIUZJDJAQZLC-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335642444 173139367 /nfs/dbraw/zinc/13/93/67/173139367.db2.gz FREOYVBCBKEBQX-WCQYABFASA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335642444 173139369 /nfs/dbraw/zinc/13/93/69/173139369.db2.gz FREOYVBCBKEBQX-WCQYABFASA-N 2 1 224.348 0.975 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCCCC2)C1 ZINC000308845704 173139623 /nfs/dbraw/zinc/13/96/23/173139623.db2.gz ABFFRSCQWIPOJR-GFCCVEGCSA-N 2 1 212.337 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCCCC2)C1 ZINC000308845704 173139624 /nfs/dbraw/zinc/13/96/24/173139624.db2.gz ABFFRSCQWIPOJR-GFCCVEGCSA-N 2 1 212.337 0.975 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(C)(C)C2)C1 ZINC000308899222 173139968 /nfs/dbraw/zinc/13/99/68/173139968.db2.gz AYQFWRXKMYWJDT-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(C)(C)C2)C1 ZINC000308899222 173139969 /nfs/dbraw/zinc/13/99/69/173139969.db2.gz AYQFWRXKMYWJDT-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037655367 173145237 /nfs/dbraw/zinc/14/52/37/173145237.db2.gz KIHAIHZQMWWFCK-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC3OCCO3)[C@H]2C1 ZINC000375249572 173160541 /nfs/dbraw/zinc/16/05/41/173160541.db2.gz QCAXEJIQHOSECW-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@H]2CC[NH+](CCC3OCCO3)[C@H]2C1 ZINC000375249572 173160542 /nfs/dbraw/zinc/16/05/42/173160542.db2.gz QCAXEJIQHOSECW-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2CC[N@H+](CCC3OCCO3)[C@H]2C1 ZINC000375249572 173160543 /nfs/dbraw/zinc/16/05/43/173160543.db2.gz QCAXEJIQHOSECW-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC3OCCO3)[C@H]2C1 ZINC000375249572 173160545 /nfs/dbraw/zinc/16/05/45/173160545.db2.gz QCAXEJIQHOSECW-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCSC2)C1 ZINC000307417096 173164165 /nfs/dbraw/zinc/16/41/65/173164165.db2.gz KMUKPDPVDAWBLY-ZJUUUORDSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCSC2)C1 ZINC000307417096 173164167 /nfs/dbraw/zinc/16/41/67/173164167.db2.gz KMUKPDPVDAWBLY-ZJUUUORDSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@@H+]1CC[C@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000336732906 173166703 /nfs/dbraw/zinc/16/67/03/173166703.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 2 1 235.335 0.306 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000336732906 173166704 /nfs/dbraw/zinc/16/67/04/173166704.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 2 1 235.335 0.306 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000336732906 173166705 /nfs/dbraw/zinc/16/67/05/173166705.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 2 1 235.335 0.306 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000336732906 173166706 /nfs/dbraw/zinc/16/67/06/173166706.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 2 1 235.335 0.306 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359089656 173282178 /nfs/dbraw/zinc/28/21/78/173282178.db2.gz BSTVUVJDGVUCAE-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336769442 173282652 /nfs/dbraw/zinc/28/26/52/173282652.db2.gz RYNAGCGCBDTBSL-HBNTYKKESA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336769442 173282653 /nfs/dbraw/zinc/28/26/53/173282653.db2.gz RYNAGCGCBDTBSL-HBNTYKKESA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000042561634 173303542 /nfs/dbraw/zinc/30/35/42/173303542.db2.gz JHAMDVCITGAUHW-CHWFTXMASA-N 2 1 227.352 0.439 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000042561634 173303544 /nfs/dbraw/zinc/30/35/44/173303544.db2.gz JHAMDVCITGAUHW-CHWFTXMASA-N 2 1 227.352 0.439 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497667 173307489 /nfs/dbraw/zinc/30/74/89/173307489.db2.gz FSLCOLAGLZSTLO-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000108329445 173325996 /nfs/dbraw/zinc/32/59/96/173325996.db2.gz GAKLBEQHQSRLJG-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000237222529 173328390 /nfs/dbraw/zinc/32/83/90/173328390.db2.gz KHFXNZXPPOIEDT-UHFFFAOYSA-N 2 1 236.319 0.528 20 0 BCADMP C[NH2+]CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000237220744 173328420 /nfs/dbraw/zinc/32/84/20/173328420.db2.gz GWYNPEHUCQNGLG-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237230366 173329570 /nfs/dbraw/zinc/32/95/70/173329570.db2.gz RJZZNEZGHVSIBX-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000043599762 173340138 /nfs/dbraw/zinc/34/01/38/173340138.db2.gz DCECCZYMFNQLLM-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000285752202 173340771 /nfs/dbraw/zinc/34/07/71/173340771.db2.gz JHICUQGQAQTURP-JTQLQIEISA-N 2 1 238.335 0.553 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368561504 173343802 /nfs/dbraw/zinc/34/38/02/173343802.db2.gz LYXMUZXJARYECD-QMMMGPOBSA-N 2 1 235.278 0.052 20 0 BCADMP C[NH2+]CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094459951 173344066 /nfs/dbraw/zinc/34/40/66/173344066.db2.gz WBRDFRRXMYBHRU-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726834 173344984 /nfs/dbraw/zinc/34/49/84/173344984.db2.gz LLKLYSGJQCKSPJ-JTQLQIEISA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCn1cc(C)cn1 ZINC000336663630 173346406 /nfs/dbraw/zinc/34/64/06/173346406.db2.gz CQIIGKZDIFLIHO-UHFFFAOYSA-N 2 1 210.325 0.733 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCn1cc(C)cn1 ZINC000336663630 173346408 /nfs/dbraw/zinc/34/64/08/173346408.db2.gz CQIIGKZDIFLIHO-UHFFFAOYSA-N 2 1 210.325 0.733 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000204536569 173346963 /nfs/dbraw/zinc/34/69/63/173346963.db2.gz ACSZCFDDFHQTAF-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCSC[C@@H]1CCO ZINC000308894082 173347176 /nfs/dbraw/zinc/34/71/76/173347176.db2.gz YXBRLVMMGZQKLZ-JTQLQIEISA-N 2 1 218.366 0.396 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000336733167 173350091 /nfs/dbraw/zinc/35/00/91/173350091.db2.gz MDTUGBUZEKADFU-QMMMGPOBSA-N 2 1 201.314 0.086 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000237280970 173351061 /nfs/dbraw/zinc/35/10/61/173351061.db2.gz YUBLUGLCSNLHJO-UHFFFAOYSA-N 2 1 201.314 0.004 20 0 BCADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000237192464 173367719 /nfs/dbraw/zinc/36/77/19/173367719.db2.gz ITSUCPBLBRJGCJ-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000237187216 173368273 /nfs/dbraw/zinc/36/82/73/173368273.db2.gz ITSUCPBLBRJGCJ-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000071146032 173370755 /nfs/dbraw/zinc/37/07/55/173370755.db2.gz DLHBJQSEWMIWGM-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460243 173374191 /nfs/dbraw/zinc/37/41/91/173374191.db2.gz FYJQDRFOWVEZEX-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394658 173374327 /nfs/dbraw/zinc/37/43/27/173374327.db2.gz MDPIFUYNFITDKD-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000092133863 173374397 /nfs/dbraw/zinc/37/43/97/173374397.db2.gz VUXIEMUGYLVDPV-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP COC1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCCC1 ZINC000359701192 174002761 /nfs/dbraw/zinc/00/27/61/174002761.db2.gz RLERXROOYBGMSL-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP COC1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCCC1 ZINC000359701192 174002764 /nfs/dbraw/zinc/00/27/64/174002764.db2.gz RLERXROOYBGMSL-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP COC1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000357080757 174021867 /nfs/dbraw/zinc/02/18/67/174021867.db2.gz VBRKSVNWJUDGMC-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP COCCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000339430804 174224434 /nfs/dbraw/zinc/22/44/34/174224434.db2.gz OFWPFLNHBBGXNF-UHFFFAOYSA-N 2 1 230.352 0.317 20 0 BCADMP COCCCOCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340707694 174254470 /nfs/dbraw/zinc/25/44/70/174254470.db2.gz ISXGTAYCGIPSJB-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309940047 174263606 /nfs/dbraw/zinc/26/36/06/174263606.db2.gz BJUZXAWZXDUIEL-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309940047 174263607 /nfs/dbraw/zinc/26/36/07/174263607.db2.gz BJUZXAWZXDUIEL-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309940051 174263788 /nfs/dbraw/zinc/26/37/88/174263788.db2.gz BJUZXAWZXDUIEL-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309940051 174263789 /nfs/dbraw/zinc/26/37/89/174263789.db2.gz BJUZXAWZXDUIEL-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000358344661 174304561 /nfs/dbraw/zinc/30/45/61/174304561.db2.gz WRUKDNLPMISJLT-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP COCC[NH+]1CCC([NH2+]C[C@H](C)OC)CC1 ZINC000336782443 174305288 /nfs/dbraw/zinc/30/52/88/174305288.db2.gz XQOSCPNOSAJBBX-NSHDSACASA-N 2 1 230.352 0.722 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)O)CC1 ZINC000341266250 174305359 /nfs/dbraw/zinc/30/53/59/174305359.db2.gz BJYSGXKPMRAXGK-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070026698 174353742 /nfs/dbraw/zinc/35/37/42/174353742.db2.gz VPBQYZYYLYLHDU-RYUDHWBXSA-N 2 1 230.352 0.709 20 0 BCADMP C[N@@H+](CC[C@H]1CCCO1)CCN1CC[NH2+]CC1 ZINC000087266424 487629448 /nfs/dbraw/zinc/62/94/48/487629448.db2.gz JMRYMSGMAWOEDQ-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[NH+](CC)CC1 ZINC000383489544 487629981 /nfs/dbraw/zinc/62/99/81/487629981.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CCC[N@H+](CC)CC1 ZINC000383489544 487629985 /nfs/dbraw/zinc/62/99/85/487629985.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CCC[N@@H+](CC)CC1 ZINC000383489544 487629990 /nfs/dbraw/zinc/62/99/90/487629990.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256747 176037731 /nfs/dbraw/zinc/03/77/31/176037731.db2.gz DOGVBFXHVIVBEO-UWVGGRQHSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256747 176037733 /nfs/dbraw/zinc/03/77/33/176037733.db2.gz DOGVBFXHVIVBEO-UWVGGRQHSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247188 176066086 /nfs/dbraw/zinc/06/60/86/176066086.db2.gz GKYCLXOOCJTTQD-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247188 176066088 /nfs/dbraw/zinc/06/60/88/176066088.db2.gz GKYCLXOOCJTTQD-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237678123 176070910 /nfs/dbraw/zinc/07/09/10/176070910.db2.gz GJXNVXFLCHEJFT-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[NH3+] ZINC000019471020 176071304 /nfs/dbraw/zinc/07/13/04/176071304.db2.gz BHJJZDCIMMNNJI-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352495056 176268295 /nfs/dbraw/zinc/26/82/95/176268295.db2.gz IHAJKOKABQRDMJ-NEPJUHHUSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352495059 176268584 /nfs/dbraw/zinc/26/85/84/176268584.db2.gz IHAJKOKABQRDMJ-VXGBXAGGSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000105480555 176269126 /nfs/dbraw/zinc/26/91/26/176269126.db2.gz YQJODKQTHUTKOX-PWSUYJOCSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000105480555 176269127 /nfs/dbraw/zinc/26/91/27/176269127.db2.gz YQJODKQTHUTKOX-PWSUYJOCSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000362615723 176272207 /nfs/dbraw/zinc/27/22/07/176272207.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000362615723 176272208 /nfs/dbraw/zinc/27/22/08/176272208.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000362615723 176272209 /nfs/dbraw/zinc/27/22/09/176272209.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454401 176272680 /nfs/dbraw/zinc/27/26/80/176272680.db2.gz MVUQLVSUUUOUAV-MNOVXSKESA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C ZINC000362763384 176272731 /nfs/dbraw/zinc/27/27/31/176272731.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000362763384 176272732 /nfs/dbraw/zinc/27/27/32/176272732.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000362763384 176272733 /nfs/dbraw/zinc/27/27/33/176272733.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000362819319 176275465 /nfs/dbraw/zinc/27/54/65/176275465.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000362819319 176275467 /nfs/dbraw/zinc/27/54/67/176275467.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000362819319 176275469 /nfs/dbraw/zinc/27/54/69/176275469.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000362585017 176276095 /nfs/dbraw/zinc/27/60/95/176276095.db2.gz AYBMAQYUSVADMC-GRYCIOLGSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000362585017 176276096 /nfs/dbraw/zinc/27/60/96/176276096.db2.gz AYBMAQYUSVADMC-GRYCIOLGSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000362585017 176276098 /nfs/dbraw/zinc/27/60/98/176276098.db2.gz AYBMAQYUSVADMC-GRYCIOLGSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875586 176276353 /nfs/dbraw/zinc/27/63/53/176276353.db2.gz MFPJCHPLBNWYDW-GHMZBOCLSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000108357043 176288600 /nfs/dbraw/zinc/28/86/00/176288600.db2.gz HESIQTFRXVCZCY-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000108357043 176288602 /nfs/dbraw/zinc/28/86/02/176288602.db2.gz HESIQTFRXVCZCY-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCO ZINC000305067903 176297246 /nfs/dbraw/zinc/29/72/46/176297246.db2.gz JQVVKRBKMXNELM-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@]1(C)C[NH3+] ZINC000309433705 176308810 /nfs/dbraw/zinc/30/88/10/176308810.db2.gz MJHMHZBXLNGSNN-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@]1(C)C[NH3+] ZINC000309433705 176308811 /nfs/dbraw/zinc/30/88/11/176308811.db2.gz MJHMHZBXLNGSNN-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251551293 176316830 /nfs/dbraw/zinc/31/68/30/176316830.db2.gz BFWOSDOHVZBAHZ-MXWKQRLJSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251551293 176316832 /nfs/dbraw/zinc/31/68/32/176316832.db2.gz BFWOSDOHVZBAHZ-MXWKQRLJSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000235283328 176330137 /nfs/dbraw/zinc/33/01/37/176330137.db2.gz QTPVTWDRJBJFMP-GMTAPVOTSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000235283328 176330140 /nfs/dbraw/zinc/33/01/40/176330140.db2.gz QTPVTWDRJBJFMP-GMTAPVOTSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000132918368 176373092 /nfs/dbraw/zinc/37/30/92/176373092.db2.gz TYCFHPUPRDKBDP-BDAKNGLRSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000132939040 176373973 /nfs/dbraw/zinc/37/39/73/176373973.db2.gz XFKIVMXRIBYQGM-NTZNESFSSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336647259 176383246 /nfs/dbraw/zinc/38/32/46/176383246.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336647259 176383247 /nfs/dbraw/zinc/38/32/47/176383247.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336647259 176383249 /nfs/dbraw/zinc/38/32/49/176383249.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000309514712 176857843 /nfs/dbraw/zinc/85/78/43/176857843.db2.gz YIHHLKSWYPLWHM-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]1CC2(C[N@H+]1CCC[NH3+])CC[NH2+]CC2 ZINC000335276513 177068135 /nfs/dbraw/zinc/06/81/35/177068135.db2.gz FDNNNYGCLQRXSO-NSHDSACASA-N 3 1 211.353 0.799 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237510049 177075526 /nfs/dbraw/zinc/07/55/26/177075526.db2.gz BYHFSAHWZBPQAD-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237498604 177098643 /nfs/dbraw/zinc/09/86/43/177098643.db2.gz DTVKHXLHZDETBL-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1CCNC(=O)[C@@H]1NCc1cncn1C ZINC000309739135 177173970 /nfs/dbraw/zinc/17/39/70/177173970.db2.gz CYIIXZYGPRQWNY-WCBMZHEXSA-N 2 1 222.292 0.034 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346229977 177185961 /nfs/dbraw/zinc/18/59/61/177185961.db2.gz SUGRZBMCZUUYGI-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226401994 177232576 /nfs/dbraw/zinc/23/25/76/177232576.db2.gz AHXWJBYBLMTZPR-JQWIXIFHSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226401994 177232578 /nfs/dbraw/zinc/23/25/78/177232578.db2.gz AHXWJBYBLMTZPR-JQWIXIFHSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000226401359 177232823 /nfs/dbraw/zinc/23/28/23/177232823.db2.gz HQUPWFBDANAVHJ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000226401359 177232824 /nfs/dbraw/zinc/23/28/24/177232824.db2.gz HQUPWFBDANAVHJ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000235725763 177232880 /nfs/dbraw/zinc/23/28/80/177232880.db2.gz OQTAITCEPKNWGJ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000235725763 177232881 /nfs/dbraw/zinc/23/28/81/177232881.db2.gz OQTAITCEPKNWGJ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605719 177236449 /nfs/dbraw/zinc/23/64/49/177236449.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 2 1 223.364 0.788 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000168676061 177265477 /nfs/dbraw/zinc/26/54/77/177265477.db2.gz WJSTUFZWGWIJGM-LBPRGKRZSA-N 2 1 247.342 0.678 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000168676061 177265478 /nfs/dbraw/zinc/26/54/78/177265478.db2.gz WJSTUFZWGWIJGM-LBPRGKRZSA-N 2 1 247.342 0.678 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227411632 177280831 /nfs/dbraw/zinc/28/08/31/177280831.db2.gz OWWCSQBRLBTKBL-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1COCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336780538 177296485 /nfs/dbraw/zinc/29/64/85/177296485.db2.gz RPJBMDRMNCFGBC-CMPLNLGQSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000228659139 177324494 /nfs/dbraw/zinc/32/44/94/177324494.db2.gz KMSWJDVTJPBVCL-JQWIXIFHSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[N@H+]1C ZINC000133150785 177329002 /nfs/dbraw/zinc/32/90/02/177329002.db2.gz KYPUKFULLNOADH-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000331759730 177330100 /nfs/dbraw/zinc/33/01/00/177330100.db2.gz JWSFPNGCBJQTNN-KXUCPTDWSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N(C)C ZINC000037751912 177331061 /nfs/dbraw/zinc/33/10/61/177331061.db2.gz KDNWHEHKQPFKGQ-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncn1C ZINC000122327542 177361279 /nfs/dbraw/zinc/36/12/79/177361279.db2.gz AKQJKWNQLARQEY-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncn1C ZINC000122327542 177361280 /nfs/dbraw/zinc/36/12/80/177361280.db2.gz AKQJKWNQLARQEY-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CC1 ZINC000122311197 177361809 /nfs/dbraw/zinc/36/18/09/177361809.db2.gz HEMZREOWDOYXAC-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1CC1 ZINC000122311197 177361812 /nfs/dbraw/zinc/36/18/12/177361812.db2.gz HEMZREOWDOYXAC-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000237637965 177366915 /nfs/dbraw/zinc/36/69/15/177366915.db2.gz KMUMTAGCFPKNHL-IUCAKERBSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000132935682 177368180 /nfs/dbraw/zinc/36/81/80/177368180.db2.gz OKLPOLJOSDOFNG-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226864109 177368348 /nfs/dbraw/zinc/36/83/48/177368348.db2.gz MSNJCURMHZQZBY-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000132917231 177368381 /nfs/dbraw/zinc/36/83/81/177368381.db2.gz TVIMEBFVRVYYOQ-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000237564830 177368530 /nfs/dbraw/zinc/36/85/30/177368530.db2.gz FKNVQCUKBXYISZ-AXFHLTTASA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358084527 177372110 /nfs/dbraw/zinc/37/21/10/177372110.db2.gz RRKHONOHMNEOPY-GRYCIOLGSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358084527 177372112 /nfs/dbraw/zinc/37/21/12/177372112.db2.gz RRKHONOHMNEOPY-GRYCIOLGSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478951460 225173149 /nfs/dbraw/zinc/17/31/49/225173149.db2.gz AFRSBEZGIVYQIR-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478951460 225173154 /nfs/dbraw/zinc/17/31/54/225173154.db2.gz AFRSBEZGIVYQIR-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP O=C(C=Cc1c[nH]cn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000492899384 226077826 /nfs/dbraw/zinc/07/78/26/226077826.db2.gz MDJVKTXBUHCGCX-MVZIDQBPSA-N 2 1 246.314 0.730 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]cn2)CC[N@@H+]1C ZINC000493364572 226195853 /nfs/dbraw/zinc/19/58/53/226195853.db2.gz GSBPOQFHDDMRME-ZJRFNNFUSA-N 2 1 248.330 0.974 20 0 BCADMP O=C(C=Cc1c[nH]cn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493798137 226254651 /nfs/dbraw/zinc/25/46/51/226254651.db2.gz WCRHZAQQPIFIAJ-CLUFZFBRSA-N 2 1 246.314 0.776 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400417468 226343130 /nfs/dbraw/zinc/34/31/30/226343130.db2.gz VPOQEPLEDTUYLG-XWLWVQCSSA-N 2 1 200.326 0.876 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400466960 226344389 /nfs/dbraw/zinc/34/43/89/226344389.db2.gz TXPYLUDXLFFLPZ-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CCC[NH2+]1 ZINC000400508772 226345203 /nfs/dbraw/zinc/34/52/03/226345203.db2.gz KUHLFMOZTBGBTR-ZDCRXTMVSA-N 2 1 212.337 0.876 20 0 BCADMP CN(CCCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000313872404 487651377 /nfs/dbraw/zinc/65/13/77/487651377.db2.gz ABAKAALESDWQKR-GFCCVEGCSA-N 2 1 222.336 0.646 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000227433620 262710729 /nfs/dbraw/zinc/71/07/29/262710729.db2.gz JXUNNJVAHQHWJQ-ZDUSSCGKSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047576 487653402 /nfs/dbraw/zinc/65/34/02/487653402.db2.gz FGDDRODDPRZQON-CHWSQXEVSA-N 2 1 241.379 0.127 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[NH+](C)CC1 ZINC000383637285 487654194 /nfs/dbraw/zinc/65/41/94/487654194.db2.gz YOVVJYZEFYULMG-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP CCC(C)(C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000655274193 487663713 /nfs/dbraw/zinc/66/37/13/487663713.db2.gz ZCRHTSHZORNOEH-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC[C@@H]([NH3+])C1 ZINC000314863020 487669102 /nfs/dbraw/zinc/66/91/02/487669102.db2.gz JOXXSYPHUNNIMN-SNVBAGLBSA-N 2 1 208.309 0.386 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000383732791 487669140 /nfs/dbraw/zinc/66/91/40/487669140.db2.gz HGOUQXSECQHFLA-NSHDSACASA-N 2 1 246.395 0.827 20 0 BCADMP C[C@H]1C[NH2+]CCN1CCCc1c[nH+]cn1C ZINC000314916809 487670246 /nfs/dbraw/zinc/67/02/46/487670246.db2.gz OYUGTIISKKYRPF-NSHDSACASA-N 2 1 222.336 0.646 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673227 /nfs/dbraw/zinc/67/32/27/487673227.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673229 /nfs/dbraw/zinc/67/32/29/487673229.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673231 /nfs/dbraw/zinc/67/32/31/487673231.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673235 /nfs/dbraw/zinc/67/32/35/487673235.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000383786601 487674166 /nfs/dbraw/zinc/67/41/66/487674166.db2.gz QEMIBADFEGIFHO-GFCCVEGCSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000226271873 487700526 /nfs/dbraw/zinc/70/05/26/487700526.db2.gz OPJPOVPPFLZNFQ-WYUUTHIRSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000226271873 487700530 /nfs/dbraw/zinc/70/05/30/487700530.db2.gz OPJPOVPPFLZNFQ-WYUUTHIRSA-N 2 1 212.337 0.972 20 0 BCADMP CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC([NH3+])C1 ZINC000669402959 487703810 /nfs/dbraw/zinc/70/38/10/487703810.db2.gz BZTLYTWTRKHWQF-HSOILSAZSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403190 487706250 /nfs/dbraw/zinc/70/62/50/487706250.db2.gz OIVNJJXMLQYDDI-GHMZBOCLSA-N 2 1 242.367 0.363 20 0 BCADMP COC(=O)CC1([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903932396 584824711 /nfs/dbraw/zinc/82/47/11/584824711.db2.gz QSCSILVNESTZCL-SSDOTTSWSA-N 2 1 236.262 0.654 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000669406693 487726088 /nfs/dbraw/zinc/72/60/88/487726088.db2.gz UOIGGHORXWWJAX-WDEREUQCSA-N 2 1 242.367 0.365 20 0 BCADMP Cc1ccncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000354662230 487725812 /nfs/dbraw/zinc/72/58/12/487725812.db2.gz WPZBCCSLZSUHPO-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ccncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000354662230 487725817 /nfs/dbraw/zinc/72/58/17/487725817.db2.gz WPZBCCSLZSUHPO-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669406690 487726168 /nfs/dbraw/zinc/72/61/68/487726168.db2.gz UOIGGHORXWWJAX-GHMZBOCLSA-N 2 1 242.367 0.365 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000082772398 487731452 /nfs/dbraw/zinc/73/14/52/487731452.db2.gz CFMAJKZJIARGCS-SECBINFHSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](CNC(=O)C1([NH3+])CCCC1)[N@@H+](C)C1CC1 ZINC000226398894 487734479 /nfs/dbraw/zinc/73/44/79/487734479.db2.gz BJCZWBYPYKSZCO-JTQLQIEISA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399040 487734971 /nfs/dbraw/zinc/73/49/71/487734971.db2.gz ABJQLUIEUSCPPD-MWLCHTKSSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582294 487735664 /nfs/dbraw/zinc/73/56/64/487735664.db2.gz GEOQCBJKXFMHQQ-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635489 487737513 /nfs/dbraw/zinc/73/75/13/487737513.db2.gz SADCWKMZYUOLLO-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000675499168 487742635 /nfs/dbraw/zinc/74/26/35/487742635.db2.gz OELLZQIZOWJLEQ-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000675499168 487742637 /nfs/dbraw/zinc/74/26/37/487742637.db2.gz OELLZQIZOWJLEQ-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675499168 487742639 /nfs/dbraw/zinc/74/26/39/487742639.db2.gz OELLZQIZOWJLEQ-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675499168 487742641 /nfs/dbraw/zinc/74/26/41/487742641.db2.gz OELLZQIZOWJLEQ-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP COC[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000163538090 487743808 /nfs/dbraw/zinc/74/38/08/487743808.db2.gz RKOPQAJTDIKKOP-GFCCVEGCSA-N 2 1 229.368 0.106 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649593224 487768021 /nfs/dbraw/zinc/76/80/21/487768021.db2.gz IYMWJOLPGLXAGX-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649593224 487768027 /nfs/dbraw/zinc/76/80/27/487768027.db2.gz IYMWJOLPGLXAGX-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251597278 487775118 /nfs/dbraw/zinc/77/51/18/487775118.db2.gz CXYSGKWJHJUDNK-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251597278 487775123 /nfs/dbraw/zinc/77/51/23/487775123.db2.gz CXYSGKWJHJUDNK-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000674286530 487777146 /nfs/dbraw/zinc/77/71/46/487777146.db2.gz ZOUBWYLGFIRDEO-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1C ZINC000648111277 487786201 /nfs/dbraw/zinc/78/62/01/487786201.db2.gz CMHSOIIRUNKQLV-ZYHUDNBSSA-N 2 1 237.347 0.363 20 0 BCADMP Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000681390712 487790874 /nfs/dbraw/zinc/79/08/74/487790874.db2.gz OLMUFDYRFMGSNA-WCQYABFASA-N 2 1 235.331 0.943 20 0 BCADMP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000681390712 487790876 /nfs/dbraw/zinc/79/08/76/487790876.db2.gz OLMUFDYRFMGSNA-WCQYABFASA-N 2 1 235.331 0.943 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000251799405 487798318 /nfs/dbraw/zinc/79/83/18/487798318.db2.gz NZMRKIGNMPZRDQ-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000251799405 487798325 /nfs/dbraw/zinc/79/83/25/487798325.db2.gz NZMRKIGNMPZRDQ-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106388 487814782 /nfs/dbraw/zinc/81/47/82/487814782.db2.gz ZHYBRKKYFWNATC-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000234407406 487819216 /nfs/dbraw/zinc/81/92/16/487819216.db2.gz YOBJUTLXEMDLQB-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@@]1(CO)CCC[N@@H+](CCC[NH3+])C1 ZINC000414752710 487821770 /nfs/dbraw/zinc/82/17/70/487821770.db2.gz CLTNPQTUPYSHPS-LLVKDONJSA-N 2 1 200.326 0.820 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000252599362 487827973 /nfs/dbraw/zinc/82/79/73/487827973.db2.gz KRZNIQOLKGCAMM-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP [NH3+]CCC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000415111994 487838344 /nfs/dbraw/zinc/83/83/44/487838344.db2.gz VEPSJQWJJRVTNO-CYBMUJFWSA-N 2 1 236.315 0.595 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000876749784 590237481 /nfs/dbraw/zinc/23/74/81/590237481.db2.gz QOHAGVCHFYOVKP-LLVKDONJSA-N 2 1 229.368 0.831 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CC1)C1CC1 ZINC000668151532 487852626 /nfs/dbraw/zinc/85/26/26/487852626.db2.gz GTBHOBXEKXPULY-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224902935 487868811 /nfs/dbraw/zinc/86/88/11/487868811.db2.gz RFVZFHMYSPLBAE-AXFHLTTASA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224907615 487868893 /nfs/dbraw/zinc/86/88/93/487868893.db2.gz YHRGXKDFFOLXKL-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669451457 487896186 /nfs/dbraw/zinc/89/61/86/487896186.db2.gz HAXUPNLVWOZWKM-NXEZZACHSA-N 2 1 230.356 0.363 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907710 /nfs/dbraw/zinc/90/77/10/487907710.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 2 1 240.347 0.020 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907713 /nfs/dbraw/zinc/90/77/13/487907713.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907718 /nfs/dbraw/zinc/90/77/18/487907718.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907722 /nfs/dbraw/zinc/90/77/22/487907722.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 2 1 240.347 0.020 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000669463797 487908836 /nfs/dbraw/zinc/90/88/36/487908836.db2.gz WSBDREHIIYYCRA-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CNC(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000653493119 487926698 /nfs/dbraw/zinc/92/66/98/487926698.db2.gz KUSJGXGHRPURQB-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP FC1(F)C[C@]12CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000652364513 487934452 /nfs/dbraw/zinc/93/44/52/487934452.db2.gz WGLILBUMTNGNQK-NSHDSACASA-N 2 1 245.317 0.623 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000676949298 487949407 /nfs/dbraw/zinc/94/94/07/487949407.db2.gz YBERGLSMUPMYAZ-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1C ZINC000677172016 487951537 /nfs/dbraw/zinc/95/15/37/487951537.db2.gz CGTNREVLCZKWIM-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000677172016 487951542 /nfs/dbraw/zinc/95/15/42/487951542.db2.gz CGTNREVLCZKWIM-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000677172016 487951547 /nfs/dbraw/zinc/95/15/47/487951547.db2.gz CGTNREVLCZKWIM-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000566475303 323000428 /nfs/dbraw/zinc/00/04/28/323000428.db2.gz YJXVZSPZXVBJAK-JTQLQIEISA-N 2 1 233.315 0.731 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479751 323017736 /nfs/dbraw/zinc/01/77/36/323017736.db2.gz LLDICWZQRXVMEI-GRYCIOLGSA-N 2 1 237.351 0.583 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853723 323019188 /nfs/dbraw/zinc/01/91/88/323019188.db2.gz RYWYSAVSDYUVJJ-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000569723619 323038716 /nfs/dbraw/zinc/03/87/16/323038716.db2.gz GACMCZWXHHHPFL-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@@H]1CCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000569723619 323038717 /nfs/dbraw/zinc/03/87/17/323038717.db2.gz GACMCZWXHHHPFL-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@H](C)C1 ZINC000569738332 323039369 /nfs/dbraw/zinc/03/93/69/323039369.db2.gz AWDRMPHOTXHAPS-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000569738332 323039370 /nfs/dbraw/zinc/03/93/70/323039370.db2.gz AWDRMPHOTXHAPS-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CSC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000570323543 323056045 /nfs/dbraw/zinc/05/60/45/323056045.db2.gz WAJULOUTLDTDOV-SNVBAGLBSA-N 2 1 229.349 0.505 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000570424832 323059285 /nfs/dbraw/zinc/05/92/85/323059285.db2.gz SRUVHBWUHTZWGV-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000570424832 323059286 /nfs/dbraw/zinc/05/92/86/323059286.db2.gz SRUVHBWUHTZWGV-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000570424832 323059287 /nfs/dbraw/zinc/05/92/87/323059287.db2.gz SRUVHBWUHTZWGV-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP Cn1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000570642523 323065776 /nfs/dbraw/zinc/06/57/76/323065776.db2.gz VUTQJGCIDXVUPF-UHFFFAOYSA-N 2 1 246.318 0.465 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000570667425 323066482 /nfs/dbraw/zinc/06/64/82/323066482.db2.gz NQOJLRUOZDXSAU-HBNTYKKESA-N 2 1 242.367 0.458 20 0 BCADMP C[N@H+](CCOC[C@@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682815 323066983 /nfs/dbraw/zinc/06/69/83/323066983.db2.gz ANIOOTRJWNXPJJ-QWHCGFSZSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCOC[C@@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682815 323066984 /nfs/dbraw/zinc/06/69/84/323066984.db2.gz ANIOOTRJWNXPJJ-QWHCGFSZSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000570685969 323067216 /nfs/dbraw/zinc/06/72/16/323067216.db2.gz BUUFZTHEPRJPHS-ZJUUUORDSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000570685968 323067280 /nfs/dbraw/zinc/06/72/80/323067280.db2.gz BUUFZTHEPRJPHS-VHSXEESVSA-N 2 1 213.325 0.039 20 0 BCADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(N)=O)C1 ZINC000570921278 323074324 /nfs/dbraw/zinc/07/43/24/323074324.db2.gz UQMRMUBMQYEKAZ-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000562981445 323077930 /nfs/dbraw/zinc/07/79/30/323077930.db2.gz LYIFCZNSGCMAIH-GMTAPVOTSA-N 2 1 227.352 0.380 20 0 BCADMP COC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000562987350 323078196 /nfs/dbraw/zinc/07/81/96/323078196.db2.gz HLGAASZCYQVUJD-NSHDSACASA-N 2 1 227.308 0.179 20 0 BCADMP CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000518775789 323081531 /nfs/dbraw/zinc/08/15/31/323081531.db2.gz VRPIJSJJAWHRKQ-TXEJJXNPSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000319240744 323084394 /nfs/dbraw/zinc/08/43/94/323084394.db2.gz WKHJCDGUXIPYHP-TUAOUCFPSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000040490582 323089944 /nfs/dbraw/zinc/08/99/44/323089944.db2.gz XNDBNJDIBYVZHK-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000563118707 323093755 /nfs/dbraw/zinc/09/37/55/323093755.db2.gz BGLDYKDQZVEBOH-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1(C)CC1 ZINC000563129676 323094281 /nfs/dbraw/zinc/09/42/81/323094281.db2.gz KVGCSWCIHNVDIB-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136747 323094859 /nfs/dbraw/zinc/09/48/59/323094859.db2.gz UDLGWLOZIXGHIR-UTUOFQBUSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136747 323094860 /nfs/dbraw/zinc/09/48/60/323094860.db2.gz UDLGWLOZIXGHIR-UTUOFQBUSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567891961 323097192 /nfs/dbraw/zinc/09/71/92/323097192.db2.gz ASOISRZRRGSHEF-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000563215643 323102929 /nfs/dbraw/zinc/10/29/29/323102929.db2.gz ULMQLZZQIWXMRY-OLZOCXBDSA-N 2 1 249.362 0.600 20 0 BCADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nnc2n1CCC2 ZINC000563215666 323102968 /nfs/dbraw/zinc/10/29/68/323102968.db2.gz VDIWZSGCVBSUID-LLVKDONJSA-N 2 1 249.362 0.656 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1nnc2n1CCC2 ZINC000563215666 323102969 /nfs/dbraw/zinc/10/29/69/323102969.db2.gz VDIWZSGCVBSUID-LLVKDONJSA-N 2 1 249.362 0.656 20 0 BCADMP CC[N@@H+](C[C@H](O)CN(C)CCOC)C1CCC1 ZINC000563351059 323120018 /nfs/dbraw/zinc/12/00/18/323120018.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC[NH2+]C(C)C ZINC000310416936 323131061 /nfs/dbraw/zinc/13/10/61/323131061.db2.gz NGSFEMIJGDIIIW-UHFFFAOYSA-N 2 1 238.335 0.696 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308984115 323183447 /nfs/dbraw/zinc/18/34/47/323183447.db2.gz GAOBHQADWPXZIJ-UWVGGRQHSA-N 2 1 212.293 0.091 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000563968687 323335074 /nfs/dbraw/zinc/33/50/74/323335074.db2.gz NLUBNVULLMMQND-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC(F)(F)CN)CC[N@H+]1C ZINC000563968687 323335065 /nfs/dbraw/zinc/33/50/65/323335065.db2.gz NLUBNVULLMMQND-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000571909135 323496166 /nfs/dbraw/zinc/49/61/66/323496166.db2.gz ZXZACLWZQSHTSE-CMPLNLGQSA-N 2 1 248.330 0.149 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000041679538 487959458 /nfs/dbraw/zinc/95/94/58/487959458.db2.gz SBYPJKRFFFCBNF-SECBINFHSA-N 2 1 231.365 0.107 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000537214679 324038379 /nfs/dbraw/zinc/03/83/79/324038379.db2.gz QMXYUEQWIPGYFB-UHFFFAOYSA-N 2 1 229.368 0.738 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397338432 324213026 /nfs/dbraw/zinc/21/30/26/324213026.db2.gz ZEDIGUHTEZIZBC-AGIUHOORSA-N 2 1 244.379 0.955 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000529174649 324256963 /nfs/dbraw/zinc/25/69/63/324256963.db2.gz KLALQICCKKGMQW-UHFFFAOYSA-N 2 1 248.330 0.356 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000529194602 324258717 /nfs/dbraw/zinc/25/87/17/324258717.db2.gz DEXUKVPTSBIPPV-TXEJJXNPSA-N 2 1 248.330 0.212 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000529194602 324258722 /nfs/dbraw/zinc/25/87/22/324258722.db2.gz DEXUKVPTSBIPPV-TXEJJXNPSA-N 2 1 248.330 0.212 20 0 BCADMP CCn1nncc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000530211682 324527688 /nfs/dbraw/zinc/52/76/88/324527688.db2.gz PLBRLQBQNSKJRC-ZYHUDNBSSA-N 2 1 237.351 0.776 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913539 487965522 /nfs/dbraw/zinc/96/55/22/487965522.db2.gz YIDIZSUUUFLUHJ-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC[NH3+])C1 ZINC000083913561 487966409 /nfs/dbraw/zinc/96/64/09/487966409.db2.gz JZDPZKJPDOPVNZ-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CSC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000564845274 325815908 /nfs/dbraw/zinc/81/59/08/325815908.db2.gz VPDMHLAXMUTZIT-GFCCVEGCSA-N 2 1 244.404 0.927 20 0 BCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC000566195158 326010846 /nfs/dbraw/zinc/01/08/46/326010846.db2.gz BLXNXWXBPCRUME-SNVBAGLBSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000566248556 326023219 /nfs/dbraw/zinc/02/32/19/326023219.db2.gz DMVSEYBCDXZTHA-RYUDHWBXSA-N 2 1 248.330 0.292 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CC(O)C1 ZINC000566416828 326042794 /nfs/dbraw/zinc/04/27/94/326042794.db2.gz PHWRAJGMMRIZJX-UHFFFAOYSA-N 2 1 223.320 0.808 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CC(O)C1 ZINC000566416828 326042796 /nfs/dbraw/zinc/04/27/96/326042796.db2.gz PHWRAJGMMRIZJX-UHFFFAOYSA-N 2 1 223.320 0.808 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000566428698 326045616 /nfs/dbraw/zinc/04/56/16/326045616.db2.gz JKGWZADFWVHPBI-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000566428698 326045618 /nfs/dbraw/zinc/04/56/18/326045618.db2.gz JKGWZADFWVHPBI-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000566428709 326045676 /nfs/dbraw/zinc/04/56/76/326045676.db2.gz JKGWZADFWVHPBI-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000566428709 326045678 /nfs/dbraw/zinc/04/56/78/326045678.db2.gz JKGWZADFWVHPBI-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566442907 326048390 /nfs/dbraw/zinc/04/83/90/326048390.db2.gz VQUMUKLIZDTRIY-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCn3cncc3C2)C1 ZINC000566452824 326050117 /nfs/dbraw/zinc/05/01/17/326050117.db2.gz PZVGQKKPNDBLKX-NSHDSACASA-N 2 1 248.330 0.567 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000567275530 326154788 /nfs/dbraw/zinc/15/47/88/326154788.db2.gz PCYMLEPBLIOMRM-ZNSHCXBVSA-N 2 1 237.347 0.465 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310250755 326188011 /nfs/dbraw/zinc/18/80/11/326188011.db2.gz NZJXIZZAWVUTME-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP c1ncn(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000567990712 326292816 /nfs/dbraw/zinc/29/28/16/326292816.db2.gz YPXRSSJPAVKLLL-GFCCVEGCSA-N 2 1 235.335 0.354 20 0 BCADMP c1ncn(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000567990712 326292817 /nfs/dbraw/zinc/29/28/17/326292817.db2.gz YPXRSSJPAVKLLL-GFCCVEGCSA-N 2 1 235.335 0.354 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000568050857 326300752 /nfs/dbraw/zinc/30/07/52/326300752.db2.gz JTCFBRMOEVCEHP-NWDGAFQWSA-N 2 1 214.353 0.935 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CCC[NH3+])C(C)C ZINC000568057940 326301590 /nfs/dbraw/zinc/30/15/90/326301590.db2.gz GBYUKWQBFGJDDY-UHFFFAOYSA-N 2 1 244.383 0.707 20 0 BCADMP CC[C@@H]1OCC[C@H]1NC[C@H](O)C[N@H+](C)CC ZINC000568181480 326321568 /nfs/dbraw/zinc/32/15/68/326321568.db2.gz UEVMWXHYEMBLLO-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1NC[C@H](O)C[N@@H+](C)CC ZINC000568181480 326321570 /nfs/dbraw/zinc/32/15/70/326321570.db2.gz UEVMWXHYEMBLLO-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000568181480 326321572 /nfs/dbraw/zinc/32/15/72/326321572.db2.gz UEVMWXHYEMBLLO-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000568181480 326321574 /nfs/dbraw/zinc/32/15/74/326321574.db2.gz UEVMWXHYEMBLLO-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH+]1CCC(CCO)(NCC2(F)CC2)CC1 ZINC000568239701 326332938 /nfs/dbraw/zinc/33/29/38/326332938.db2.gz QVWQEGGWQPHLFI-UHFFFAOYSA-N 2 1 230.327 0.925 20 0 BCADMP C[N@H+]1CCC[C@H](CCNC2=[NH+]CCCN2)C1 ZINC000568256302 326335888 /nfs/dbraw/zinc/33/58/88/326335888.db2.gz LSRPGGHVVCFSKR-LLVKDONJSA-N 2 1 224.352 0.657 20 0 BCADMP CC(C)[NH2+]CCCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568381412 326351463 /nfs/dbraw/zinc/35/14/63/326351463.db2.gz JQXZRJDUXPJRGX-QWHCGFSZSA-N 2 1 243.395 0.731 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000568499515 326359823 /nfs/dbraw/zinc/35/98/23/326359823.db2.gz KKJXHBNNHPUOGS-IJLUTSLNSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)CC ZINC000568527089 326363254 /nfs/dbraw/zinc/36/32/54/326363254.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)CC ZINC000568527089 326363257 /nfs/dbraw/zinc/36/32/57/326363257.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000568527089 326363259 /nfs/dbraw/zinc/36/32/59/326363259.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363297 /nfs/dbraw/zinc/36/32/97/326363297.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 1 200.326 0.639 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363298 /nfs/dbraw/zinc/36/32/98/326363298.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 1 200.326 0.639 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)O ZINC000568621329 326368127 /nfs/dbraw/zinc/36/81/27/326368127.db2.gz XXAIQPCLXHXSHF-JTQLQIEISA-N 2 1 211.309 0.942 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000568621817 326368172 /nfs/dbraw/zinc/36/81/72/326368172.db2.gz LBSIISGNQQVREC-WCQYABFASA-N 2 1 242.363 0.624 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000569243781 326397364 /nfs/dbraw/zinc/39/73/64/326397364.db2.gz NBXVIIVOHKSLFY-SNVBAGLBSA-N 2 1 243.326 0.275 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000573262703 326438443 /nfs/dbraw/zinc/43/84/43/326438443.db2.gz VHGRNOXTNSBMSH-YUMQZZPRSA-N 2 1 235.278 0.227 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000677171055 487987148 /nfs/dbraw/zinc/98/71/48/487987148.db2.gz CBKXMXPHIZQKGW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000677171055 487987151 /nfs/dbraw/zinc/98/71/51/487987151.db2.gz CBKXMXPHIZQKGW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000677171055 487987157 /nfs/dbraw/zinc/98/71/57/487987157.db2.gz CBKXMXPHIZQKGW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000677171055 487987161 /nfs/dbraw/zinc/98/71/61/487987161.db2.gz CBKXMXPHIZQKGW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000134773501 487998239 /nfs/dbraw/zinc/99/82/39/487998239.db2.gz WTMJDKPCASZNTA-NEPJUHHUSA-N 2 1 228.336 0.209 20 0 BCADMP COc1c(N)ncnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000134866519 488002883 /nfs/dbraw/zinc/00/28/83/488002883.db2.gz HUFVFYDARYJDPP-QMMMGPOBSA-N 2 1 249.318 0.716 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396746125 488003003 /nfs/dbraw/zinc/00/30/03/488003003.db2.gz YTGLBORCILZGCI-PWSUYJOCSA-N 2 1 225.336 0.183 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682615955 488003043 /nfs/dbraw/zinc/00/30/43/488003043.db2.gz XMNSCZQQEAJPEE-XQQFMLRXSA-N 2 1 242.363 0.314 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCCOC)CC[C@@H]1[NH3+] ZINC000147480331 488027802 /nfs/dbraw/zinc/02/78/02/488027802.db2.gz CZZGAKYLIZBVCY-NEPJUHHUSA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034308 /nfs/dbraw/zinc/03/43/08/488034308.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034313 /nfs/dbraw/zinc/03/43/13/488034313.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034315 /nfs/dbraw/zinc/03/43/15/488034315.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034319 /nfs/dbraw/zinc/03/43/19/488034319.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 2 1 230.352 0.000 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000310503669 488035060 /nfs/dbraw/zinc/03/50/60/488035060.db2.gz IQBRBEWPRVRIQQ-QWHCGFSZSA-N 2 1 246.395 0.948 20 0 BCADMP C(N1CCC([C@H]2CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495295 488045128 /nfs/dbraw/zinc/04/51/28/488045128.db2.gz WWNWRZDCEUCRGP-ZNMIVQPWSA-N 2 1 249.402 0.917 20 0 BCADMP CC1([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663497447 488046745 /nfs/dbraw/zinc/04/67/45/488046745.db2.gz ORDZKIFHTGMNAU-PWSUYJOCSA-N 3 1 209.337 0.328 20 0 BCADMP COCC[N@@H+](CCO)Cc1cnc(C)n1C ZINC000667590303 488053868 /nfs/dbraw/zinc/05/38/68/488053868.db2.gz RJSTXOSKCDQUIA-UHFFFAOYSA-N 2 1 227.308 0.169 20 0 BCADMP COCCN(CCO)Cc1c[nH+]c(C)n1C ZINC000667590303 488053872 /nfs/dbraw/zinc/05/38/72/488053872.db2.gz RJSTXOSKCDQUIA-UHFFFAOYSA-N 2 1 227.308 0.169 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000663510024 488055344 /nfs/dbraw/zinc/05/53/44/488055344.db2.gz NSVNYHZDVZQWFV-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP Cn1c2cc(C[N@@H+](C)CCC[NH3+])ccc2oc1=O ZINC000084575947 488064888 /nfs/dbraw/zinc/06/48/88/488064888.db2.gz ZLIGCRWMNHXJJA-UHFFFAOYSA-N 2 1 249.314 0.912 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538850 488071177 /nfs/dbraw/zinc/07/11/77/488071177.db2.gz BYXRZXVFZCJYNV-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C([C@H]1CNCCO1)[N@H+]1CCC2(C1)CCOCC2 ZINC000310200877 488071204 /nfs/dbraw/zinc/07/12/04/488071204.db2.gz BOQDHPSVXFLNSE-GFCCVEGCSA-N 2 1 240.347 0.477 20 0 BCADMP O[C@H](C[NH2+]CCOCC1CC1)C[NH+]1CCCC1 ZINC000236558986 488071271 /nfs/dbraw/zinc/07/12/71/488071271.db2.gz ZKSQVALUILVZQZ-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC000310159226 488072060 /nfs/dbraw/zinc/07/20/60/488072060.db2.gz QVAFSAXURUUMNV-GWCFXTLKSA-N 2 1 237.347 0.326 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC000310159226 488072062 /nfs/dbraw/zinc/07/20/62/488072062.db2.gz QVAFSAXURUUMNV-GWCFXTLKSA-N 2 1 237.347 0.326 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000389138955 488079812 /nfs/dbraw/zinc/07/98/12/488079812.db2.gz GNLACGJSRWLMAL-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169808 488080118 /nfs/dbraw/zinc/08/01/18/488080118.db2.gz NNACNANAMJMRME-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1 ZINC000257781800 488088829 /nfs/dbraw/zinc/08/88/29/488088829.db2.gz JIMHHWCVNHDMAY-QWHCGFSZSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000257781800 488088832 /nfs/dbraw/zinc/08/88/32/488088832.db2.gz JIMHHWCVNHDMAY-QWHCGFSZSA-N 2 1 225.380 0.916 20 0 BCADMP OCC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000389481901 488098509 /nfs/dbraw/zinc/09/85/09/488098509.db2.gz HDKJLGAUJWLBNT-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cncs1 ZINC000166659158 488100668 /nfs/dbraw/zinc/10/06/68/488100668.db2.gz NPWUBXZNHGIDLP-UHFFFAOYSA-N 2 1 240.376 0.480 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cncs1 ZINC000166659158 488100673 /nfs/dbraw/zinc/10/06/73/488100673.db2.gz NPWUBXZNHGIDLP-UHFFFAOYSA-N 2 1 240.376 0.480 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000389661824 488104511 /nfs/dbraw/zinc/10/45/11/488104511.db2.gz RYARRDAZJMHPPR-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649397 488104479 /nfs/dbraw/zinc/10/44/79/488104479.db2.gz NOWMJNYJBNNQBP-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690323 488105751 /nfs/dbraw/zinc/10/57/51/488105751.db2.gz ZUSIGONXOHUYAW-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccnn1C ZINC000230775532 488110410 /nfs/dbraw/zinc/11/04/10/488110410.db2.gz BOXPYVJGXXTONR-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP O=C(CC[NH2+]C1CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726835 488111601 /nfs/dbraw/zinc/11/16/01/488111601.db2.gz XRWJXBFTPFXGTO-LLVKDONJSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000674264493 487542886 /nfs/dbraw/zinc/54/28/86/487542886.db2.gz XDYOVHVWKUALPO-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@@H+](CCNC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000094571637 487545646 /nfs/dbraw/zinc/54/56/46/487545646.db2.gz GZRPXKOTZDNEHI-UHFFFAOYSA-N 2 1 237.303 0.562 20 0 BCADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1CCO ZINC000662302278 487546698 /nfs/dbraw/zinc/54/66/98/487546698.db2.gz LRNALSWOWCSAHE-WDEREUQCSA-N 2 1 200.326 0.818 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227153321 487556110 /nfs/dbraw/zinc/55/61/10/487556110.db2.gz VTGTYPJGAXWSJR-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP Cc1noc(C[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000086703014 487531154 /nfs/dbraw/zinc/53/11/54/487531154.db2.gz BVOXKRDWHJFBIL-UHFFFAOYSA-N 2 1 224.308 0.809 20 0 BCADMP Cc1noc(C[N@@H+](C)CC2CC[NH2+]CC2)n1 ZINC000086703014 487531155 /nfs/dbraw/zinc/53/11/55/487531155.db2.gz BVOXKRDWHJFBIL-UHFFFAOYSA-N 2 1 224.308 0.809 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCSCC2)C1 ZINC000657975131 487501644 /nfs/dbraw/zinc/50/16/44/487501644.db2.gz XYTYZKPOOOBAHS-RYUDHWBXSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCSCC2)C1 ZINC000657975131 487501646 /nfs/dbraw/zinc/50/16/46/487501646.db2.gz XYTYZKPOOOBAHS-RYUDHWBXSA-N 2 1 244.404 0.928 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)OC ZINC000662266624 487503354 /nfs/dbraw/zinc/50/33/54/487503354.db2.gz NREQEQKXPSXYIA-DCAQKATOSA-N 2 1 216.325 0.317 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000161608782 487506782 /nfs/dbraw/zinc/50/67/82/487506782.db2.gz DYXBCIODODQUAN-IWSPIJDZSA-N 2 1 229.349 0.035 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccncc1 ZINC000086435401 487506925 /nfs/dbraw/zinc/50/69/25/487506925.db2.gz XJBVKEWGVOISSI-UHFFFAOYSA-N 2 1 209.293 0.489 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300400304 487512913 /nfs/dbraw/zinc/51/29/13/487512913.db2.gz WAFCIAGJDXZSOC-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(C)C)C1CC1 ZINC000167204435 488146174 /nfs/dbraw/zinc/14/61/74/488146174.db2.gz XXOIOPJVAMFQLY-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000669524650 488164823 /nfs/dbraw/zinc/16/48/23/488164823.db2.gz NSVFLLLKXVILCQ-AEJSXWLSSA-N 2 1 240.351 0.258 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396627619 487989263 /nfs/dbraw/zinc/98/92/63/487989263.db2.gz CKWZFCNEUXOYEZ-NWDGAFQWSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000257732503 488086490 /nfs/dbraw/zinc/08/64/90/488086490.db2.gz WMRQXHNTFNJDBZ-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434566 488096193 /nfs/dbraw/zinc/09/61/93/488096193.db2.gz ZMGAWGQPKAKBNF-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379446572 488137435 /nfs/dbraw/zinc/13/74/35/488137435.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379446572 488137437 /nfs/dbraw/zinc/13/74/37/488137437.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379446572 488137440 /nfs/dbraw/zinc/13/74/40/488137440.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1C[NH2+]CCO1 ZINC000258991485 488145681 /nfs/dbraw/zinc/14/56/81/488145681.db2.gz VPAOGBOAOZFPGN-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C1CC[NH+](CCc2ccnn2C)CC1 ZINC000230745383 488150523 /nfs/dbraw/zinc/15/05/23/488150523.db2.gz JPVGZPCJCVTVFC-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775654 488156782 /nfs/dbraw/zinc/15/67/82/488156782.db2.gz UZTIIHPDGZEECP-RYUDHWBXSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775576 488156956 /nfs/dbraw/zinc/15/69/56/488156956.db2.gz FZHIHBBOYKWGGQ-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000678040947 488177406 /nfs/dbraw/zinc/17/74/06/488177406.db2.gz VXBJBADNSPFIPJ-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000678040947 488177409 /nfs/dbraw/zinc/17/74/09/488177409.db2.gz VXBJBADNSPFIPJ-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000678040947 488177414 /nfs/dbraw/zinc/17/74/14/488177414.db2.gz VXBJBADNSPFIPJ-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP Cc1ncc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000668012164 488183960 /nfs/dbraw/zinc/18/39/60/488183960.db2.gz UMQVWOFARKCNBW-CABZTGNLSA-N 2 1 223.320 0.931 20 0 BCADMP COCCC[N@@H+](CCO)Cc1cnc(C)n1C ZINC000668031657 488190689 /nfs/dbraw/zinc/19/06/89/488190689.db2.gz BNHXHVSLKFSCBW-UHFFFAOYSA-N 2 1 241.335 0.559 20 0 BCADMP COCCCN(CCO)Cc1cnc(C)n1C ZINC000668031657 488190691 /nfs/dbraw/zinc/19/06/91/488190691.db2.gz BNHXHVSLKFSCBW-UHFFFAOYSA-N 2 1 241.335 0.559 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000398109417 488211160 /nfs/dbraw/zinc/21/11/60/488211160.db2.gz WSUIFRNTOWYCSV-WDEREUQCSA-N 2 1 237.347 0.611 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398110612 488211233 /nfs/dbraw/zinc/21/12/33/488211233.db2.gz YIWSYCCKPAYPDM-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398136266 488212024 /nfs/dbraw/zinc/21/20/24/488212024.db2.gz XRNCBFBGADPVBM-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000678343268 488243290 /nfs/dbraw/zinc/24/32/90/488243290.db2.gz OXOKDWALTUYILM-STQMWFEESA-N 2 1 246.358 0.799 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000684396130 488305768 /nfs/dbraw/zinc/30/57/68/488305768.db2.gz SZKCOJIZHBMQSS-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000684396130 488305769 /nfs/dbraw/zinc/30/57/69/488305769.db2.gz SZKCOJIZHBMQSS-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](CO)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120591669 490064986 /nfs/dbraw/zinc/06/49/86/490064986.db2.gz NGFAQHLDOPEXTM-CYBMUJFWSA-N 2 1 243.395 0.184 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000054128975 490106717 /nfs/dbraw/zinc/10/67/17/490106717.db2.gz AVNDHWFOKVTWPE-UHFFFAOYSA-N 2 1 215.341 0.428 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000078668218 490215987 /nfs/dbraw/zinc/21/59/87/490215987.db2.gz GSCVGJGQHVDFSR-NSHDSACASA-N 2 1 245.367 0.021 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000078747792 490224696 /nfs/dbraw/zinc/22/46/96/490224696.db2.gz VDBCWYAESJDGDW-NWDGAFQWSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000078747792 490224704 /nfs/dbraw/zinc/22/47/04/490224704.db2.gz VDBCWYAESJDGDW-NWDGAFQWSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000078757518 490228581 /nfs/dbraw/zinc/22/85/81/490228581.db2.gz FWNDDSNFALDPSY-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000070913724 490248796 /nfs/dbraw/zinc/24/87/96/490248796.db2.gz NHNPUTPCEBZWDI-UHFFFAOYSA-N 2 1 221.304 0.586 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705108 491084774 /nfs/dbraw/zinc/08/47/74/491084774.db2.gz SVKKFSHAKHBAEA-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705108 491084775 /nfs/dbraw/zinc/08/47/75/491084775.db2.gz SVKKFSHAKHBAEA-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705108 491084776 /nfs/dbraw/zinc/08/47/76/491084776.db2.gz SVKKFSHAKHBAEA-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705108 491084777 /nfs/dbraw/zinc/08/47/77/491084777.db2.gz SVKKFSHAKHBAEA-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](NCC[NH+]2CCCC2)C1 ZINC000086402304 491123857 /nfs/dbraw/zinc/12/38/57/491123857.db2.gz HRZZKTIHSNFAQZ-NEPJUHHUSA-N 2 1 211.353 0.942 20 0 BCADMP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)O[C@H]1CCCCO1 ZINC000090322537 491124376 /nfs/dbraw/zinc/12/43/76/491124376.db2.gz OHMUXVJCHXHCEI-UPJWGTAASA-N 2 1 240.347 0.681 20 0 BCADMP CN1CC(C[N@@H+](C)Cc2cccc(C(N)=O)c2)C1 ZINC000668538684 491127224 /nfs/dbraw/zinc/12/72/24/491127224.db2.gz AARADVAQPLXDEJ-UHFFFAOYSA-N 2 1 247.342 0.779 20 0 BCADMP CN(Cc1cccc(C(N)=O)c1)CC1C[NH+](C)C1 ZINC000668538684 491127225 /nfs/dbraw/zinc/12/72/25/491127225.db2.gz AARADVAQPLXDEJ-UHFFFAOYSA-N 2 1 247.342 0.779 20 0 BCADMP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000307933748 491134150 /nfs/dbraw/zinc/13/41/50/491134150.db2.gz DVCZUURBLFROHW-HRDYMLBCSA-N 2 1 238.253 0.451 20 0 BCADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000307933748 491134151 /nfs/dbraw/zinc/13/41/51/491134151.db2.gz DVCZUURBLFROHW-HRDYMLBCSA-N 2 1 238.253 0.451 20 0 BCADMP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)c2ccccc21 ZINC000132128517 491134950 /nfs/dbraw/zinc/13/49/50/491134950.db2.gz BAJPNHYSKNOIRM-TVYUQYBPSA-N 2 1 245.326 0.999 20 0 BCADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400525543 533889668 /nfs/dbraw/zinc/88/96/68/533889668.db2.gz PYVHPKBOPBRCRQ-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810075 535680362 /nfs/dbraw/zinc/68/03/62/535680362.db2.gz BOLWRWIITSUELP-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747705 536138141 /nfs/dbraw/zinc/13/81/41/536138141.db2.gz GKYJRHRCFMQRAQ-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1C ZINC000418379448 534335819 /nfs/dbraw/zinc/33/58/19/534335819.db2.gz KMFNJQUBDWTSJT-OUAUKWLOSA-N 2 1 240.351 0.082 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171480093 534922575 /nfs/dbraw/zinc/92/25/75/534922575.db2.gz CNZZHMJAYBPSPJ-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000171480093 534922579 /nfs/dbraw/zinc/92/25/79/534922579.db2.gz CNZZHMJAYBPSPJ-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000335658637 536448521 /nfs/dbraw/zinc/44/85/21/536448521.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000335658637 536448523 /nfs/dbraw/zinc/44/85/23/536448523.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000335658637 536448525 /nfs/dbraw/zinc/44/85/25/536448525.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062123 527837040 /nfs/dbraw/zinc/83/70/40/527837040.db2.gz ZKWIPNPDBRIZDV-GZTOBOFZSA-N 2 1 225.336 0.315 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062132 527837499 /nfs/dbraw/zinc/83/74/99/527837499.db2.gz ZKWIPNPDBRIZDV-QRGHLMKCSA-N 2 1 225.336 0.315 20 0 BCADMP CCOC(=O)N[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000496645719 529104824 /nfs/dbraw/zinc/10/48/24/529104824.db2.gz RCZWERFUTYVOSS-JTQLQIEISA-N 2 1 229.324 0.546 20 0 BCADMP CCOC(=O)N[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000496645719 529104828 /nfs/dbraw/zinc/10/48/28/529104828.db2.gz RCZWERFUTYVOSS-JTQLQIEISA-N 2 1 229.324 0.546 20 0 BCADMP CC[N@H+]1CCN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)C1 ZINC000492808028 529108690 /nfs/dbraw/zinc/10/86/90/529108690.db2.gz ZDAOFVYGRLKDEF-DGMVEKRQSA-N 2 1 239.363 0.657 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493639547 529286204 /nfs/dbraw/zinc/28/62/04/529286204.db2.gz DMLDZJFGDDUBOP-DGMVEKRQSA-N 2 1 239.363 0.657 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252791373 535116538 /nfs/dbraw/zinc/11/65/38/535116538.db2.gz ZVKQWJXRPNIQPE-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252791373 535116543 /nfs/dbraw/zinc/11/65/43/535116543.db2.gz ZVKQWJXRPNIQPE-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000168721594 535131813 /nfs/dbraw/zinc/13/18/13/535131813.db2.gz CLLDMTVQIPSRJG-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000336126736 535228507 /nfs/dbraw/zinc/22/85/07/535228507.db2.gz GFNZYZZVCQAYMW-WDEREUQCSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000336126736 535228512 /nfs/dbraw/zinc/22/85/12/535228512.db2.gz GFNZYZZVCQAYMW-WDEREUQCSA-N 2 1 225.336 0.276 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562728 535460463 /nfs/dbraw/zinc/46/04/63/535460463.db2.gz WNNXSXAFLIEROM-YPMHNXCESA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562728 535460467 /nfs/dbraw/zinc/46/04/67/535460467.db2.gz WNNXSXAFLIEROM-YPMHNXCESA-N 2 1 241.379 0.914 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000191839597 535510355 /nfs/dbraw/zinc/51/03/55/535510355.db2.gz NMVZETIWNXDTLA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000191839597 535510361 /nfs/dbraw/zinc/51/03/61/535510361.db2.gz NMVZETIWNXDTLA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249043649 535511136 /nfs/dbraw/zinc/51/11/36/535511136.db2.gz NMVZETIWNXDTLA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249043649 535511139 /nfs/dbraw/zinc/51/11/39/535511139.db2.gz NMVZETIWNXDTLA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221160530 535514375 /nfs/dbraw/zinc/51/43/75/535514375.db2.gz RUDVGMSMCUJOQG-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261535024 535522929 /nfs/dbraw/zinc/52/29/29/535522929.db2.gz VUNBLXXOWZGTSM-ZYHUDNBSSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261535024 535522924 /nfs/dbraw/zinc/52/29/24/535522924.db2.gz VUNBLXXOWZGTSM-ZYHUDNBSSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336212434 535524762 /nfs/dbraw/zinc/52/47/62/535524762.db2.gz WKJIWUXAGTVOTF-VXGBXAGGSA-N 2 1 245.342 0.664 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440688 535564556 /nfs/dbraw/zinc/56/45/56/535564556.db2.gz KWHBKUNLCDOQQJ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251382505 535678782 /nfs/dbraw/zinc/67/87/82/535678782.db2.gz WIYLSNZGYAVMHG-WOPDTQHZSA-N 2 1 239.363 0.857 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCO)[C@H](C)C1 ZINC000166251780 535768628 /nfs/dbraw/zinc/76/86/28/535768628.db2.gz UWJLOANLYIIQCE-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000261743714 536166680 /nfs/dbraw/zinc/16/66/80/536166680.db2.gz GSPXXSMGUOXOFC-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@@H+](CCCO)C[C@@H]1CCC[NH+](C)C1 ZINC000259156322 536357557 /nfs/dbraw/zinc/35/75/57/536357557.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP C[NH+](CCCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000259156322 536357559 /nfs/dbraw/zinc/35/75/59/536357559.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP C[NH+](CCCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259156322 536357562 /nfs/dbraw/zinc/35/75/62/536357562.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416256 536372560 /nfs/dbraw/zinc/37/25/60/536372560.db2.gz IZQHUBGGEJFXMT-WDEREUQCSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000167511517 536377242 /nfs/dbraw/zinc/37/72/42/536377242.db2.gz WZHVFZNZYJITFH-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082717 536391198 /nfs/dbraw/zinc/39/11/98/536391198.db2.gz ZFUNWELBFSVSTP-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534176 536391222 /nfs/dbraw/zinc/39/12/22/536391222.db2.gz NYLCQAUHIAQXSK-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCO)C2)C1 ZINC000335930952 536395492 /nfs/dbraw/zinc/39/54/92/536395492.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC000335930952 536395493 /nfs/dbraw/zinc/39/54/93/536395493.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC000335930952 536395496 /nfs/dbraw/zinc/39/54/96/536395496.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH+]2CCCC2)CC1 ZINC000074693597 536402572 /nfs/dbraw/zinc/40/25/72/536402572.db2.gz OVXRLECUCOMNJQ-UHFFFAOYSA-N 2 1 225.336 0.246 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867121 536462758 /nfs/dbraw/zinc/46/27/58/536462758.db2.gz GXZMZFMCLFEAIP-DCAQKATOSA-N 2 1 239.363 0.583 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657949 536470157 /nfs/dbraw/zinc/47/01/57/536470157.db2.gz PRIQPZFNDXQOKK-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP COC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823225 536583225 /nfs/dbraw/zinc/58/32/25/536583225.db2.gz IOUGWVZZMCVUFG-WCQYABFASA-N 2 1 242.363 0.722 20 0 BCADMP COCC[NH+](C)[C@H](C)CC[N@@H+](C)CCOC ZINC000431625652 566365902 /nfs/dbraw/zinc/36/59/02/566365902.db2.gz ZMHMTGHBFSXSEZ-GFCCVEGCSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)[C@H](C)CC[N@H+](C)CCOC ZINC000431625652 566365907 /nfs/dbraw/zinc/36/59/07/566365907.db2.gz ZMHMTGHBFSXSEZ-GFCCVEGCSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)CC[C@@H](C)[N@H+](C)CCOC ZINC000431625652 566365915 /nfs/dbraw/zinc/36/59/15/566365915.db2.gz ZMHMTGHBFSXSEZ-GFCCVEGCSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCOC ZINC000431625652 566365927 /nfs/dbraw/zinc/36/59/27/566365927.db2.gz ZMHMTGHBFSXSEZ-GFCCVEGCSA-N 2 1 232.368 0.921 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892947242 583015060 /nfs/dbraw/zinc/01/50/60/583015060.db2.gz ZZJKBSDDGKYXIP-CMPLNLGQSA-N 2 1 228.336 0.869 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000894174711 583326443 /nfs/dbraw/zinc/32/64/43/583326443.db2.gz XSCVGUWKAQZNHG-GFCCVEGCSA-N 2 1 244.379 0.969 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853097707 588719704 /nfs/dbraw/zinc/71/97/04/588719704.db2.gz HDMRHKSWVBVEOQ-ZDUSSCGKSA-N 2 1 246.314 0.910 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112801278 588817198 /nfs/dbraw/zinc/81/71/98/588817198.db2.gz RSNXHFVXUAIZOL-MNOVXSKESA-N 2 1 240.351 0.372 20 0 BCADMP CC[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000804798388 582559233 /nfs/dbraw/zinc/55/92/33/582559233.db2.gz UTYUNFXWWPNYIY-SNVBAGLBSA-N 2 1 235.335 0.898 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000892274412 582824986 /nfs/dbraw/zinc/82/49/86/582824986.db2.gz QKVZAIHINBYQHR-GARJFASQSA-N 2 1 240.351 0.212 20 0 BCADMP CCOCCCNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014680 582826271 /nfs/dbraw/zinc/82/62/71/582826271.db2.gz OMWWTHKLTCJRRP-UHFFFAOYSA-N 2 1 228.340 0.233 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614505 582930100 /nfs/dbraw/zinc/93/01/00/582930100.db2.gz QWBAFPOKXFTCOO-CMPLNLGQSA-N 2 1 228.336 0.869 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394608490 582996721 /nfs/dbraw/zinc/99/67/21/582996721.db2.gz RBRVVGJTQAATFE-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1CN(C)C(=O)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893885315 583240728 /nfs/dbraw/zinc/24/07/28/583240728.db2.gz MTMFKZPWDOATMA-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C)C(=O)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893885315 583240729 /nfs/dbraw/zinc/24/07/29/583240729.db2.gz MTMFKZPWDOATMA-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000893888573 583243702 /nfs/dbraw/zinc/24/37/02/583243702.db2.gz KCDFASLAQIKBFM-QWHCGFSZSA-N 2 1 224.348 0.642 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000857109685 588889001 /nfs/dbraw/zinc/88/90/01/588889001.db2.gz YOXSBXONFPFWEY-NSHDSACASA-N 2 1 240.351 0.285 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000857113181 588889715 /nfs/dbraw/zinc/88/97/15/588889715.db2.gz OVMNEAMPLVPWEY-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP Cc1ccnc(N)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000894097161 583301991 /nfs/dbraw/zinc/30/19/91/583301991.db2.gz DBBJVQLKPQXVKJ-PHIMTYICSA-N 2 1 232.331 0.623 20 0 BCADMP Cc1ccnc(N)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000894097161 583301993 /nfs/dbraw/zinc/30/19/93/583301993.db2.gz DBBJVQLKPQXVKJ-PHIMTYICSA-N 2 1 232.331 0.623 20 0 BCADMP CC(C)C[C@H](N)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843233 583413898 /nfs/dbraw/zinc/41/38/98/583413898.db2.gz CAMQUHOWPFCRMK-NEPJUHHUSA-N 2 1 213.369 0.949 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCn1cncn1 ZINC000880131188 583470424 /nfs/dbraw/zinc/47/04/24/583470424.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 1 235.335 0.447 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131188 583470425 /nfs/dbraw/zinc/47/04/25/583470425.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 1 235.335 0.447 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC000880131188 583470428 /nfs/dbraw/zinc/47/04/28/583470428.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 1 235.335 0.447 20 0 BCADMP CNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880141440 583474448 /nfs/dbraw/zinc/47/44/48/583474448.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](O)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000894946648 583557732 /nfs/dbraw/zinc/55/77/32/583557732.db2.gz VAIGZMRCOUPFTQ-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000895475393 583679706 /nfs/dbraw/zinc/67/97/06/583679706.db2.gz HKSUHWMTTGWJPF-UHFFFAOYSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000895473322 583679713 /nfs/dbraw/zinc/67/97/13/583679713.db2.gz MTEWRUSSUIKLPF-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000895681343 583709157 /nfs/dbraw/zinc/70/91/57/583709157.db2.gz QXAWJLWWGDJWLV-QWRGUYRKSA-N 2 1 241.379 0.926 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441095 583813682 /nfs/dbraw/zinc/81/36/82/583813682.db2.gz HDMHIETTZDRYLX-WUHRBBMRSA-N 2 1 241.354 0.855 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+](C)C)C1 ZINC000897441307 583984882 /nfs/dbraw/zinc/98/48/82/583984882.db2.gz BZIXPEBRANEEDA-NSHDSACASA-N 2 1 242.367 0.189 20 0 BCADMP Cn1cnc(CCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000897952597 584063586 /nfs/dbraw/zinc/06/35/86/584063586.db2.gz KARJMULFUUBXMO-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP C[C@@H](NC(=[NH2+])NCC[NH+]1CCC1)C1CC1 ZINC000899271497 584191642 /nfs/dbraw/zinc/19/16/42/584191642.db2.gz YXICEFHFIUEGNW-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP CON(C)C(=O)[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858580040 588968746 /nfs/dbraw/zinc/96/87/46/588968746.db2.gz VVVCLZBORGFMBM-VWYCJHECSA-N 2 1 243.351 0.467 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000858580040 588968748 /nfs/dbraw/zinc/96/87/48/588968748.db2.gz VVVCLZBORGFMBM-VWYCJHECSA-N 2 1 243.351 0.467 20 0 BCADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)C2CC2)CC1 ZINC000899909405 584249465 /nfs/dbraw/zinc/24/94/65/584249465.db2.gz BGPWIWWUYIDKBQ-LBPRGKRZSA-N 2 1 224.348 0.927 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900305723 584293170 /nfs/dbraw/zinc/29/31/70/584293170.db2.gz LFAFQVJSVYCOTK-LLVKDONJSA-N 2 1 237.347 0.150 20 0 BCADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000900366919 584296900 /nfs/dbraw/zinc/29/69/00/584296900.db2.gz IWWPEDWVBVVVAM-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694847 584338753 /nfs/dbraw/zinc/33/87/53/584338753.db2.gz KUFJLGTUSKRGJF-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000901198011 584397737 /nfs/dbraw/zinc/39/77/37/584397737.db2.gz FWZVBQGUCFGULQ-JTQLQIEISA-N 2 1 236.319 0.505 20 0 BCADMP [NH3+]C1(C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000902408117 584574969 /nfs/dbraw/zinc/57/49/69/584574969.db2.gz WWGKBZRDRVDSOC-UHFFFAOYSA-N 2 1 226.320 0.753 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000902409209 584575371 /nfs/dbraw/zinc/57/53/71/584575371.db2.gz JLHDVYZPUUKRMG-GARJFASQSA-N 2 1 209.337 0.455 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CNOC2)C1 ZINC000902402079 584587166 /nfs/dbraw/zinc/58/71/66/584587166.db2.gz AOWDITDCZUELGX-VHSXEESVSA-N 2 1 213.325 0.258 20 0 BCADMP C[C@H]1C[C@H](NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000902415581 584589434 /nfs/dbraw/zinc/58/94/34/584589434.db2.gz JILNTKMGHPVPGA-UWVGGRQHSA-N 2 1 209.337 0.693 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CC1 ZINC000902417999 584590879 /nfs/dbraw/zinc/59/08/79/584590879.db2.gz UFIFXLDWWALHRW-MWLCHTKSSA-N 2 1 209.337 0.550 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902417999 584590883 /nfs/dbraw/zinc/59/08/83/584590883.db2.gz UFIFXLDWWALHRW-MWLCHTKSSA-N 2 1 209.337 0.550 20 0 BCADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000902443939 584598513 /nfs/dbraw/zinc/59/85/13/584598513.db2.gz MORUHBFXKQGYDY-VQXHTEKXSA-N 2 1 212.337 0.878 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902476193 584602950 /nfs/dbraw/zinc/60/29/50/584602950.db2.gz NLKJPCZADBFBGI-KXNHARMFSA-N 2 1 210.321 0.894 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452120 584607373 /nfs/dbraw/zinc/60/73/73/584607373.db2.gz IVYWIOMIVUMCKG-DJZSBQJZSA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902454058 584608597 /nfs/dbraw/zinc/60/85/97/584608597.db2.gz FBDXBZFUJOLEDL-IUCAKERBSA-N 2 1 226.324 0.644 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)cn1 ZINC000902462140 584612501 /nfs/dbraw/zinc/61/25/01/584612501.db2.gz TURSBMGVUZKHQO-PWSUYJOCSA-N 2 1 222.336 0.898 20 0 BCADMP C[C@H](CCCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468877 584615554 /nfs/dbraw/zinc/61/55/54/584615554.db2.gz XIHSDMYJGSSYQQ-WISYIIOYSA-N 2 1 211.353 0.986 20 0 BCADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468877 584615557 /nfs/dbraw/zinc/61/55/57/584615557.db2.gz XIHSDMYJGSSYQQ-WISYIIOYSA-N 2 1 211.353 0.986 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000902512592 584623214 /nfs/dbraw/zinc/62/32/14/584623214.db2.gz ASWIYQCGVUDCSR-OUAUKWLOSA-N 2 1 216.325 0.114 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)(C)n1cncn1 ZINC000902470633 584616477 /nfs/dbraw/zinc/61/64/77/584616477.db2.gz ZBXGXGMRGPMWRZ-WRWGMCAJSA-N 2 1 249.362 0.884 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1c[nH+]ccc1N ZINC000902490183 584617244 /nfs/dbraw/zinc/61/72/44/584617244.db2.gz UICNANQNKNOUJO-OPRDCNLKSA-N 3 1 220.320 0.882 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000902490057 584617567 /nfs/dbraw/zinc/61/75/67/584617567.db2.gz RHZLXOBFOKWXMO-DDHJBXDOSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000902490057 584617568 /nfs/dbraw/zinc/61/75/68/584617568.db2.gz RHZLXOBFOKWXMO-DDHJBXDOSA-N 3 1 211.353 0.796 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481602 584623841 /nfs/dbraw/zinc/62/38/41/584623841.db2.gz FNIAIDMPHYVKDF-CHWSQXEVSA-N 3 1 243.395 0.862 20 0 BCADMP CCn1cnc(CNCC[N@@H+](CC)CCO)c1 ZINC000902489544 584627453 /nfs/dbraw/zinc/62/74/53/584627453.db2.gz REVSQODCHXTAOL-UHFFFAOYSA-N 2 1 240.351 0.307 20 0 BCADMP CCN(CCO)CC[NH2+]Cc1cn(CC)cn1 ZINC000902489544 584627455 /nfs/dbraw/zinc/62/74/55/584627455.db2.gz REVSQODCHXTAOL-UHFFFAOYSA-N 2 1 240.351 0.307 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000903439556 584762832 /nfs/dbraw/zinc/76/28/32/584762832.db2.gz KJTTVSTVJPWHAY-UTUOFQBUSA-N 2 1 239.363 0.429 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439934 584763224 /nfs/dbraw/zinc/76/32/24/584763224.db2.gz QUZZPVNYAJVTIO-MXWKQRLJSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460842 584766418 /nfs/dbraw/zinc/76/64/18/584766418.db2.gz JTOPBZDNRNYUEG-USZNOCQGSA-N 3 1 211.353 0.925 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cn[nH]c1 ZINC000903444631 584769281 /nfs/dbraw/zinc/76/92/81/584769281.db2.gz SZSMIZDMIIFQKL-KOLCDFICSA-N 2 1 208.309 0.697 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cn[nH]c1 ZINC000903444631 584769282 /nfs/dbraw/zinc/76/92/82/584769282.db2.gz SZSMIZDMIIFQKL-KOLCDFICSA-N 2 1 208.309 0.697 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447596 584770602 /nfs/dbraw/zinc/77/06/02/584770602.db2.gz YWPWNWWFZAZTGY-USZNOCQGSA-N 3 1 211.353 0.783 20 0 BCADMP C[C@H]1NCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903449793 584771438 /nfs/dbraw/zinc/77/14/38/584771438.db2.gz GGNQKVJOUJRLSU-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[NH2+]CCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903449793 584771440 /nfs/dbraw/zinc/77/14/40/584771440.db2.gz GGNQKVJOUJRLSU-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000903453892 584772783 /nfs/dbraw/zinc/77/27/83/584772783.db2.gz OORUURMJSGDWIR-QCNOEVLYSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000903453892 584772785 /nfs/dbraw/zinc/77/27/85/584772785.db2.gz OORUURMJSGDWIR-QCNOEVLYSA-N 2 1 209.337 0.408 20 0 BCADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)C[NH3+] ZINC000903454244 584773433 /nfs/dbraw/zinc/77/34/33/584773433.db2.gz YADMXQACALPFCZ-LBPRGKRZSA-N 2 1 233.315 0.919 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000903454796 584773526 /nfs/dbraw/zinc/77/35/26/584773526.db2.gz JRUFEDWLZCUCCJ-WOPDTQHZSA-N 3 1 225.380 0.820 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454847 584773562 /nfs/dbraw/zinc/77/35/62/584773562.db2.gz KSYOMYZVIHGZAB-MXWKQRLJSA-N 2 1 228.336 0.855 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000903456058 584773889 /nfs/dbraw/zinc/77/38/89/584773889.db2.gz DRDJKBGHVWQZKH-MNOVXSKESA-N 2 1 239.363 0.572 20 0 BCADMP Cn1nccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470752 584774817 /nfs/dbraw/zinc/77/48/17/584774817.db2.gz CHVUHFRMRMORSF-GFCCVEGCSA-N 2 1 234.347 0.837 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457421 584774909 /nfs/dbraw/zinc/77/49/09/584774909.db2.gz RULNYXKMCPVJOH-NEPJUHHUSA-N 2 1 241.379 0.546 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457421 584774910 /nfs/dbraw/zinc/77/49/10/584774910.db2.gz RULNYXKMCPVJOH-NEPJUHHUSA-N 2 1 241.379 0.546 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000903475767 584776720 /nfs/dbraw/zinc/77/67/20/584776720.db2.gz CJYXQSDKJQRUSK-GRYCIOLGSA-N 2 1 226.364 0.935 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481810 584778190 /nfs/dbraw/zinc/77/81/90/584778190.db2.gz NKMGCWZDCUAFJH-YVECIDJPSA-N 2 1 242.363 0.578 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903482978 584778831 /nfs/dbraw/zinc/77/88/31/584778831.db2.gz ANSLZSIUXHNCOI-GFCCVEGCSA-N 2 1 242.363 0.914 20 0 BCADMP [NH3+]CCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483484 584779258 /nfs/dbraw/zinc/77/92/58/584779258.db2.gz HTOHOMOTISPLDW-LLVKDONJSA-N 3 1 227.352 0.226 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000903499663 584779988 /nfs/dbraw/zinc/77/99/88/584779988.db2.gz XUHGLVHJMOJUCC-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498839 584780044 /nfs/dbraw/zinc/78/00/44/584780044.db2.gz FUGMWAYJCUJSBM-KXUCPTDWSA-N 2 1 238.339 0.188 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499665 584780272 /nfs/dbraw/zinc/78/02/72/584780272.db2.gz LKZVWANJFJLVTI-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC1CC1)C2 ZINC000903492597 584780870 /nfs/dbraw/zinc/78/08/70/584780870.db2.gz GUDDUJITMVPDNQ-LOWVWBTDSA-N 2 1 238.331 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494953 584780886 /nfs/dbraw/zinc/78/08/86/584780886.db2.gz SHMITKQRIDHPNB-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP Cc1nc([C@@H]2CC[N@@H+](CCOCC[NH3+])C2)no1 ZINC000903490700 584780921 /nfs/dbraw/zinc/78/09/21/584780921.db2.gz DYMDVHGMWHIUEO-SNVBAGLBSA-N 2 1 240.307 0.143 20 0 BCADMP CC[C@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492886 584781088 /nfs/dbraw/zinc/78/10/88/584781088.db2.gz KRAKRBFRIVWXQA-KQXIARHKSA-N 2 1 240.347 0.997 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000903570044 584783500 /nfs/dbraw/zinc/78/35/00/584783500.db2.gz QFGQTTMZWZBUBP-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000903570044 584783501 /nfs/dbraw/zinc/78/35/01/584783501.db2.gz QFGQTTMZWZBUBP-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717146 584792285 /nfs/dbraw/zinc/79/22/85/584792285.db2.gz HRIVNARVWDTZTP-LBPRGKRZSA-N 3 1 241.379 0.426 20 0 BCADMP CN(CCC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717146 584792286 /nfs/dbraw/zinc/79/22/86/584792286.db2.gz HRIVNARVWDTZTP-LBPRGKRZSA-N 2 1 241.379 0.426 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000903716219 584793995 /nfs/dbraw/zinc/79/39/95/584793995.db2.gz JSHICFGPGSUYLA-GRYCIOLGSA-N 2 1 240.347 0.727 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715801 584794042 /nfs/dbraw/zinc/79/40/42/584794042.db2.gz ADUBNXSEPSDBBN-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715801 584794044 /nfs/dbraw/zinc/79/40/44/584794044.db2.gz ADUBNXSEPSDBBN-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903716050 584794290 /nfs/dbraw/zinc/79/42/90/584794290.db2.gz GWIKKUGYXPOWOS-NNYUYHANSA-N 2 1 240.347 0.855 20 0 BCADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746842 584794679 /nfs/dbraw/zinc/79/46/79/584794679.db2.gz MAKPLLFNDTYQGC-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746842 584794681 /nfs/dbraw/zinc/79/46/81/584794681.db2.gz MAKPLLFNDTYQGC-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753067 584796024 /nfs/dbraw/zinc/79/60/24/584796024.db2.gz ZOMZHRSFTHTGBK-RWMBFGLXSA-N 2 1 240.347 0.212 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903766930 584797245 /nfs/dbraw/zinc/79/72/45/584797245.db2.gz DEZJXJLAEXQWSZ-NNYUYHANSA-N 2 1 240.347 0.997 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785506 584800305 /nfs/dbraw/zinc/80/03/05/584800305.db2.gz ZOMZHRSFTHTGBK-UPJWGTAASA-N 2 1 240.347 0.212 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805462 584802768 /nfs/dbraw/zinc/80/27/68/584802768.db2.gz OGDMLKLAINQXOA-SDDRHHMPSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805462 584802769 /nfs/dbraw/zinc/80/27/69/584802769.db2.gz OGDMLKLAINQXOA-SDDRHHMPSA-N 2 1 228.336 0.197 20 0 BCADMP CNC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810784 584803399 /nfs/dbraw/zinc/80/33/99/584803399.db2.gz HUWYXZRWRCOTCQ-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CNC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810784 584803400 /nfs/dbraw/zinc/80/34/00/584803400.db2.gz HUWYXZRWRCOTCQ-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1CCO ZINC000903829326 584805489 /nfs/dbraw/zinc/80/54/89/584805489.db2.gz DCJSCTMSYAFPHG-ZDUSSCGKSA-N 2 1 244.379 0.979 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829600 584805760 /nfs/dbraw/zinc/80/57/60/584805760.db2.gz IDNPGNGKQBRHPT-SDDRHHMPSA-N 2 1 240.347 0.474 20 0 BCADMP COCC[C@@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838246 584806653 /nfs/dbraw/zinc/80/66/53/584806653.db2.gz AKFUOXKRLIFIHF-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838246 584806654 /nfs/dbraw/zinc/80/66/54/584806654.db2.gz AKFUOXKRLIFIHF-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](O)[C@H](F)C2)C1 ZINC000903838837 584807214 /nfs/dbraw/zinc/80/72/14/584807214.db2.gz FXDAFMNPMABEOO-ZDCRXTMVSA-N 2 1 216.300 0.519 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839227 584807377 /nfs/dbraw/zinc/80/73/77/584807377.db2.gz JCXZKJIBYOWDCH-OUAUKWLOSA-N 2 1 216.300 0.391 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](O)[C@H](F)C2)C1 ZINC000903838835 584807423 /nfs/dbraw/zinc/80/74/23/584807423.db2.gz FXDAFMNPMABEOO-LNFKQOIKSA-N 2 1 216.300 0.519 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000903844030 584807490 /nfs/dbraw/zinc/80/74/90/584807490.db2.gz ZULHLLYEXIROOH-UYXSQOIJSA-N 2 1 238.253 0.721 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842965 584807669 /nfs/dbraw/zinc/80/76/69/584807669.db2.gz YWHJGLPTXDOVSE-XQHKEYJVSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842962 584807686 /nfs/dbraw/zinc/80/76/86/584807686.db2.gz YWHJGLPTXDOVSE-CYDGBPFRSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC000903844028 584807753 /nfs/dbraw/zinc/80/77/53/584807753.db2.gz ZULHLLYEXIROOH-JBDRJPRFSA-N 2 1 238.253 0.721 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850514 584807876 /nfs/dbraw/zinc/80/78/76/584807876.db2.gz SUQXRNAWRDMXSJ-CYBMUJFWSA-N 2 1 242.363 0.853 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850514 584807877 /nfs/dbraw/zinc/80/78/77/584807877.db2.gz SUQXRNAWRDMXSJ-CYBMUJFWSA-N 2 1 242.363 0.853 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1=O ZINC000903854188 584809354 /nfs/dbraw/zinc/80/93/54/584809354.db2.gz IVVGZVIRDNBDBU-JSGCOSHPSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1=O ZINC000903854188 584809355 /nfs/dbraw/zinc/80/93/55/584809355.db2.gz IVVGZVIRDNBDBU-JSGCOSHPSA-N 2 1 247.342 0.699 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCOC1 ZINC000903854780 584809393 /nfs/dbraw/zinc/80/93/93/584809393.db2.gz KJBNWDXVUOHVLI-SDDRHHMPSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCOC1 ZINC000903854780 584809395 /nfs/dbraw/zinc/80/93/95/584809395.db2.gz KJBNWDXVUOHVLI-SDDRHHMPSA-N 2 1 210.321 0.836 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856827 584809511 /nfs/dbraw/zinc/80/95/11/584809511.db2.gz BFVFENAMWDGYCU-GMXVVIOVSA-N 2 1 247.346 0.579 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856827 584809512 /nfs/dbraw/zinc/80/95/12/584809512.db2.gz BFVFENAMWDGYCU-GMXVVIOVSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856827 584809513 /nfs/dbraw/zinc/80/95/13/584809513.db2.gz BFVFENAMWDGYCU-GMXVVIOVSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856827 584809514 /nfs/dbraw/zinc/80/95/14/584809514.db2.gz BFVFENAMWDGYCU-GMXVVIOVSA-N 2 1 247.346 0.579 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903854843 584809573 /nfs/dbraw/zinc/80/95/73/584809573.db2.gz KSFBYCJFUFOONM-QWHCGFSZSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903854843 584809574 /nfs/dbraw/zinc/80/95/74/584809574.db2.gz KSFBYCJFUFOONM-QWHCGFSZSA-N 2 1 234.347 0.776 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858201 584809763 /nfs/dbraw/zinc/80/97/63/584809763.db2.gz HOJAKGAPOIEUQJ-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858201 584809765 /nfs/dbraw/zinc/80/97/65/584809765.db2.gz HOJAKGAPOIEUQJ-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCOC1CC1 ZINC000903857892 584810501 /nfs/dbraw/zinc/81/05/01/584810501.db2.gz GIODUTOWLNQIKP-JQWIXIFHSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCOC1CC1 ZINC000903857892 584810502 /nfs/dbraw/zinc/81/05/02/584810502.db2.gz GIODUTOWLNQIKP-JQWIXIFHSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCc1cn[nH]c1 ZINC000903859366 584811014 /nfs/dbraw/zinc/81/10/14/584811014.db2.gz MVFUHHIJTURRJK-NWDGAFQWSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCc1cn[nH]c1 ZINC000903859366 584811015 /nfs/dbraw/zinc/81/10/15/584811015.db2.gz MVFUHHIJTURRJK-NWDGAFQWSA-N 2 1 220.320 0.765 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864699 584813433 /nfs/dbraw/zinc/81/34/33/584813433.db2.gz VTLQPFWAVUEKFQ-AVGNSLFASA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864699 584813434 /nfs/dbraw/zinc/81/34/34/584813434.db2.gz VTLQPFWAVUEKFQ-AVGNSLFASA-N 2 1 242.363 0.587 20 0 BCADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869887 584814780 /nfs/dbraw/zinc/81/47/80/584814780.db2.gz KFVOMNYXKXYLHL-CHWSQXEVSA-N 3 1 223.364 0.814 20 0 BCADMP C(CN1CCC[C@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869887 584814782 /nfs/dbraw/zinc/81/47/82/584814782.db2.gz KFVOMNYXKXYLHL-CHWSQXEVSA-N 2 1 223.364 0.814 20 0 BCADMP CC(C)[N@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903876739 584816796 /nfs/dbraw/zinc/81/67/96/584816796.db2.gz HWMJVVPKSMCVGP-MRVPVSSYSA-N 2 1 210.268 0.672 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882022 584817893 /nfs/dbraw/zinc/81/78/93/584817893.db2.gz JHNPGMBICFPHMV-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903881466 584817960 /nfs/dbraw/zinc/81/79/60/584817960.db2.gz FMTDVUAACPTCLF-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903881466 584817961 /nfs/dbraw/zinc/81/79/61/584817961.db2.gz FMTDVUAACPTCLF-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@]1(C2CC2)COCC[N@H+]1CCOCC[NH3+] ZINC000903883352 584818206 /nfs/dbraw/zinc/81/82/06/584818206.db2.gz WIGAMOBBMVVWLL-LBPRGKRZSA-N 2 1 228.336 0.463 20 0 BCADMP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903883499 584818408 /nfs/dbraw/zinc/81/84/08/584818408.db2.gz IJVOPJYCIFYEKV-LLVKDONJSA-N 2 1 235.335 0.797 20 0 BCADMP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903883499 584818409 /nfs/dbraw/zinc/81/84/09/584818409.db2.gz IJVOPJYCIFYEKV-LLVKDONJSA-N 2 1 235.335 0.797 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903915013 584819266 /nfs/dbraw/zinc/81/92/66/584819266.db2.gz XDLOHIZMAFBCKW-BBBLOLIVSA-N 2 1 235.322 0.993 20 0 BCADMP C[N@H+]1CCN(C[C@@H]([NH3+])CC(F)F)C(C)(C)C1 ZINC000903894763 584819574 /nfs/dbraw/zinc/81/95/74/584819574.db2.gz DHHKZOOUJGIGIC-VIFPVBQESA-N 2 1 235.322 0.995 20 0 BCADMP COCCC[N@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903915464 584820500 /nfs/dbraw/zinc/82/05/00/584820500.db2.gz ZCEYCSQGFHWYGS-SECBINFHSA-N 2 1 240.294 0.300 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903915464 584820501 /nfs/dbraw/zinc/82/05/01/584820501.db2.gz ZCEYCSQGFHWYGS-SECBINFHSA-N 2 1 240.294 0.300 20 0 BCADMP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H](C)C[N@H+]1C ZINC000903908197 584821914 /nfs/dbraw/zinc/82/19/14/584821914.db2.gz FUSQNSIKRWWQDZ-KXUCPTDWSA-N 2 1 235.322 0.993 20 0 BCADMP OC[C@@]1(F)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918470 584822430 /nfs/dbraw/zinc/82/24/30/584822430.db2.gz ZZOAUAWMGSJTQN-PSEXLTFBSA-N 2 1 242.338 0.923 20 0 BCADMP [NH3+][C@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928138 584824218 /nfs/dbraw/zinc/82/42/18/584824218.db2.gz WCLHSPWCSGLWES-JGVFFNPUSA-N 2 1 247.289 0.322 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916137 584827317 /nfs/dbraw/zinc/82/73/17/584827317.db2.gz FMXBCXRBSDJNNS-ZZIFITQXSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916137 584827318 /nfs/dbraw/zinc/82/73/18/584827318.db2.gz FMXBCXRBSDJNNS-ZZIFITQXSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916137 584827320 /nfs/dbraw/zinc/82/73/20/584827320.db2.gz FMXBCXRBSDJNNS-ZZIFITQXSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@H]1CC[NH3+] ZINC000903978586 584832862 /nfs/dbraw/zinc/83/28/62/584832862.db2.gz SNDDDQNQWPIQQO-GHMZBOCLSA-N 3 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@H+](CC2(CN)CC2)C[C@H]1CC[NH3+] ZINC000903978586 584832863 /nfs/dbraw/zinc/83/28/63/584832863.db2.gz SNDDDQNQWPIQQO-GHMZBOCLSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(CN)CC2)C[C@H]1CC[NH3+] ZINC000903978586 584832864 /nfs/dbraw/zinc/83/28/64/584832864.db2.gz SNDDDQNQWPIQQO-GHMZBOCLSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903964617 584833915 /nfs/dbraw/zinc/83/39/15/584833915.db2.gz RWBXCNMIDPFHBY-JVGWCMFKSA-N 2 1 223.364 0.715 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncn1C ZINC000903968328 584834958 /nfs/dbraw/zinc/83/49/58/584834958.db2.gz SWJZBJUGODPKLO-ZJUUUORDSA-N 2 1 208.309 0.365 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967484 584835153 /nfs/dbraw/zinc/83/51/53/584835153.db2.gz JYPSKCQXQFJMDO-UTUOFQBUSA-N 3 1 213.369 0.662 20 0 BCADMP C([NH2+][C@@H]1CCO[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000903985710 584835565 /nfs/dbraw/zinc/83/55/65/584835565.db2.gz AFGVEZWGXAFPKE-JPLDKTBPSA-N 2 1 222.332 0.896 20 0 BCADMP CC[N@H+](CCC(N)=O)C[C@@H]([NH3+])CC(F)F ZINC000903987118 584835856 /nfs/dbraw/zinc/83/58/56/584835856.db2.gz AIKOYWDGTPWPHW-ZETCQYMHSA-N 2 1 223.267 0.166 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]([NH3+])CC(F)F ZINC000903987118 584835858 /nfs/dbraw/zinc/83/58/58/584835858.db2.gz AIKOYWDGTPWPHW-ZETCQYMHSA-N 2 1 223.267 0.166 20 0 BCADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299669 584860544 /nfs/dbraw/zinc/86/05/44/584860544.db2.gz LJRRUPYBYRQIKY-YFKTTZPYSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299669 584860545 /nfs/dbraw/zinc/86/05/45/584860545.db2.gz LJRRUPYBYRQIKY-YFKTTZPYSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299668 584860882 /nfs/dbraw/zinc/86/08/82/584860882.db2.gz LJRRUPYBYRQIKY-WYUUTHIRSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299668 584860883 /nfs/dbraw/zinc/86/08/83/584860883.db2.gz LJRRUPYBYRQIKY-WYUUTHIRSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@@]1(C[N@@H+](CCO)C2CC2)CCC[NH2+]C1 ZINC000904308647 584862816 /nfs/dbraw/zinc/86/28/16/584862816.db2.gz UJVGBLGIVFISNW-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904310213 584863078 /nfs/dbraw/zinc/86/30/78/584863078.db2.gz YBLZQTHEZPYIFW-YPMHNXCESA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000904314433 584863289 /nfs/dbraw/zinc/86/32/89/584863289.db2.gz XDGGQVVDYRGWDZ-WRWGMCAJSA-N 2 1 237.347 0.467 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904316795 584864149 /nfs/dbraw/zinc/86/41/49/584864149.db2.gz TVHGJRXLEGSGOA-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@]1(C[N@@H+](CCO)CCCO)CCC[NH2+]C1 ZINC000904320502 584864312 /nfs/dbraw/zinc/86/43/12/584864312.db2.gz JNXSBJYSKVMUBP-GFCCVEGCSA-N 2 1 230.352 0.053 20 0 BCADMP CC(=O)N1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322310 584864539 /nfs/dbraw/zinc/86/45/39/584864539.db2.gz WCOAMFPDMSDXKY-ZMLRMANQSA-N 2 1 225.336 0.276 20 0 BCADMP COC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000904328843 584866021 /nfs/dbraw/zinc/86/60/21/584866021.db2.gz HZMPGPFSCGWRTB-KXUCPTDWSA-N 2 1 228.336 0.901 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334559 584866390 /nfs/dbraw/zinc/86/63/90/584866390.db2.gz ZCDKXUMVEDYCQD-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334559 584866392 /nfs/dbraw/zinc/86/63/92/584866392.db2.gz ZCDKXUMVEDYCQD-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343765 584867916 /nfs/dbraw/zinc/86/79/16/584867916.db2.gz WKMQPKYUXOYVEX-HRDYMLBCSA-N 2 1 240.269 0.969 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345777 584868082 /nfs/dbraw/zinc/86/80/82/584868082.db2.gz NISLZMXYMMPOMP-PHIMTYICSA-N 2 1 216.325 0.055 20 0 BCADMP CCOCCOCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345756 584868124 /nfs/dbraw/zinc/86/81/24/584868124.db2.gz MVWAETSNRREDCU-TXEJJXNPSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2c2ccncc2)C1 ZINC000904350128 584868842 /nfs/dbraw/zinc/86/88/42/584868842.db2.gz GOMBUTNNAFFGMY-KWCYVHTRSA-N 2 1 246.358 0.765 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2ccncc2)C1 ZINC000904350128 584868843 /nfs/dbraw/zinc/86/88/43/584868843.db2.gz GOMBUTNNAFFGMY-KWCYVHTRSA-N 2 1 246.358 0.765 20 0 BCADMP Nc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000904349990 584868903 /nfs/dbraw/zinc/86/89/03/584868903.db2.gz FWVNXFWDRTZECZ-UHFFFAOYSA-N 2 1 247.346 0.634 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349847 584869141 /nfs/dbraw/zinc/86/91/41/584869141.db2.gz DEAFGCMIFNWSJE-WISYIIOYSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349847 584869142 /nfs/dbraw/zinc/86/91/42/584869142.db2.gz DEAFGCMIFNWSJE-WISYIIOYSA-N 2 1 209.337 0.408 20 0 BCADMP Nc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000904351053 584869583 /nfs/dbraw/zinc/86/95/83/584869583.db2.gz UKONBGJTZSDAAV-LLVKDONJSA-N 2 1 235.335 0.762 20 0 BCADMP Nc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000904351053 584869584 /nfs/dbraw/zinc/86/95/84/584869584.db2.gz UKONBGJTZSDAAV-LLVKDONJSA-N 2 1 235.335 0.762 20 0 BCADMP [NH3+]CCN1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000904353041 584869910 /nfs/dbraw/zinc/86/99/10/584869910.db2.gz GTWSBWRZBDWLOB-CYBMUJFWSA-N 2 1 240.395 0.141 20 0 BCADMP [NH3+]CCN1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000904357956 584872316 /nfs/dbraw/zinc/87/23/16/584872316.db2.gz FSFWKRXBQOJNOC-CYBMUJFWSA-N 2 1 240.395 0.141 20 0 BCADMP [NH3+]CCN1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000904357956 584872317 /nfs/dbraw/zinc/87/23/17/584872317.db2.gz FSFWKRXBQOJNOC-CYBMUJFWSA-N 2 1 240.395 0.141 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](CF)C2)C1 ZINC000904371300 584873119 /nfs/dbraw/zinc/87/31/19/584873119.db2.gz LYVRNWJKXDLUNP-KXUCPTDWSA-N 2 1 202.273 0.394 20 0 BCADMP [NH3+]Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000904371765 584873366 /nfs/dbraw/zinc/87/33/66/584873366.db2.gz SSLDQJVGSIKURD-AWEZNQCLSA-N 3 1 249.358 0.695 20 0 BCADMP [NH3+]Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000904371765 584873367 /nfs/dbraw/zinc/87/33/67/584873367.db2.gz SSLDQJVGSIKURD-AWEZNQCLSA-N 3 1 249.358 0.695 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904372339 584873826 /nfs/dbraw/zinc/87/38/26/584873826.db2.gz BKSSEPNCTAGBOZ-NTZNESFSSA-N 2 1 240.347 0.999 20 0 BCADMP C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380645 584876638 /nfs/dbraw/zinc/87/66/38/584876638.db2.gz FQQUXOFLGFMBRM-AAEUAGOBSA-N 3 1 240.395 0.140 20 0 BCADMP C[C@H]1CC[C@H](NC2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380645 584876639 /nfs/dbraw/zinc/87/66/39/584876639.db2.gz FQQUXOFLGFMBRM-AAEUAGOBSA-N 2 1 240.395 0.140 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379229 584876798 /nfs/dbraw/zinc/87/67/98/584876798.db2.gz RJFDCPHTXFWEGF-NNYUYHANSA-N 2 1 210.321 0.692 20 0 BCADMP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904384957 584877499 /nfs/dbraw/zinc/87/74/99/584877499.db2.gz PVCUFABNVIKAQR-AXFHLTTASA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904385178 584877770 /nfs/dbraw/zinc/87/77/70/584877770.db2.gz UNUYWRIZKDKJRG-FRRDWIJNSA-N 2 1 225.380 0.996 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405954 584878394 /nfs/dbraw/zinc/87/83/94/584878394.db2.gz BIGIBZPWFUIRNF-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405957 584878557 /nfs/dbraw/zinc/87/85/57/584878557.db2.gz BIGIBZPWFUIRNF-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000904405606 584878740 /nfs/dbraw/zinc/87/87/40/584878740.db2.gz KNQDSGQHINMIHY-LLVKDONJSA-N 2 1 245.330 0.900 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411309 584879863 /nfs/dbraw/zinc/87/98/63/584879863.db2.gz UKCLOKJQJZMKRN-BBBLOLIVSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411309 584879865 /nfs/dbraw/zinc/87/98/65/584879865.db2.gz UKCLOKJQJZMKRN-BBBLOLIVSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](N)CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411309 584879866 /nfs/dbraw/zinc/87/98/66/584879866.db2.gz UKCLOKJQJZMKRN-BBBLOLIVSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](N)CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411309 584879868 /nfs/dbraw/zinc/87/98/68/584879868.db2.gz UKCLOKJQJZMKRN-BBBLOLIVSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415385 584880040 /nfs/dbraw/zinc/88/00/40/584880040.db2.gz GUUMQBUJJWONIS-NOOOWODRSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1N ZINC000904415385 584880041 /nfs/dbraw/zinc/88/00/41/584880041.db2.gz GUUMQBUJJWONIS-NOOOWODRSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1N ZINC000904415385 584880042 /nfs/dbraw/zinc/88/00/42/584880042.db2.gz GUUMQBUJJWONIS-NOOOWODRSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000904415386 584880080 /nfs/dbraw/zinc/88/00/80/584880080.db2.gz GUUMQBUJJWONIS-WISYIIOYSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000904415386 584880082 /nfs/dbraw/zinc/88/00/82/584880082.db2.gz GUUMQBUJJWONIS-WISYIIOYSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000904415386 584880084 /nfs/dbraw/zinc/88/00/84/584880084.db2.gz GUUMQBUJJWONIS-WISYIIOYSA-N 2 1 211.353 0.654 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420738 584881920 /nfs/dbraw/zinc/88/19/20/584881920.db2.gz VNYLEMHRWNZWMK-RWMBFGLXSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@]1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420709 584881995 /nfs/dbraw/zinc/88/19/95/584881995.db2.gz UQIRLNVYMSHBGK-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420709 584881996 /nfs/dbraw/zinc/88/19/96/584881996.db2.gz UQIRLNVYMSHBGK-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000876790033 584886773 /nfs/dbraw/zinc/88/67/73/584886773.db2.gz QCRSNHUOOLJKBZ-BLDJZWNYSA-N 2 1 237.347 0.172 20 0 BCADMP Cn1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000839181892 585096639 /nfs/dbraw/zinc/09/66/39/585096639.db2.gz KAADDWBFUFEURY-NSHDSACASA-N 2 1 237.351 0.637 20 0 BCADMP CC(=O)NCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000741250972 585111845 /nfs/dbraw/zinc/11/18/45/585111845.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP CC(=O)NCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000741250972 585111846 /nfs/dbraw/zinc/11/18/46/585111846.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP CC(=O)NCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741250972 585111847 /nfs/dbraw/zinc/11/18/47/585111847.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP COCC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000748048902 585186637 /nfs/dbraw/zinc/18/66/37/585186637.db2.gz ZBJLPYBCRZXWDZ-SNVBAGLBSA-N 2 1 243.376 0.742 20 0 BCADMP C[C@@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1C ZINC000761076668 585405940 /nfs/dbraw/zinc/40/59/40/585405940.db2.gz JCISZNCXYYWBML-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP O=C1O[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC12CC2 ZINC000763672226 585452142 /nfs/dbraw/zinc/45/21/42/585452142.db2.gz NJVNODSDJDLGHU-DCAQKATOSA-N 2 1 236.315 0.233 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CCCNC(=O)C1 ZINC000767371659 585518090 /nfs/dbraw/zinc/51/80/90/585518090.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(N)=O)cc1 ZINC000768246490 585534917 /nfs/dbraw/zinc/53/49/17/585534917.db2.gz XLYSWBXVMJPKTP-UHFFFAOYSA-N 2 1 235.331 0.665 20 0 BCADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(N)=O)cc1 ZINC000768246490 585534918 /nfs/dbraw/zinc/53/49/18/585534918.db2.gz XLYSWBXVMJPKTP-UHFFFAOYSA-N 2 1 235.331 0.665 20 0 BCADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000774161168 585651908 /nfs/dbraw/zinc/65/19/08/585651908.db2.gz DFFIZDGWGYTUPS-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](CN1CCOCC1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000774736587 585664624 /nfs/dbraw/zinc/66/46/24/585664624.db2.gz FYHTZPUICUUYAF-STQMWFEESA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H](CN1CCOCC1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000774736587 585664625 /nfs/dbraw/zinc/66/46/25/585664625.db2.gz FYHTZPUICUUYAF-STQMWFEESA-N 2 1 241.379 0.343 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776760522 585704566 /nfs/dbraw/zinc/70/45/66/585704566.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 1 223.324 0.509 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000779340268 585751895 /nfs/dbraw/zinc/75/18/95/585751895.db2.gz BMUXYRXEGQOXCA-NSHDSACASA-N 2 1 218.341 0.315 20 0 BCADMP C[C@@H]1CC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000783234896 585831614 /nfs/dbraw/zinc/83/16/14/585831614.db2.gz BHCJEYYQDCXRBE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836791 585881672 /nfs/dbraw/zinc/88/16/72/585881672.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 2 1 235.335 0.896 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000788467930 585925004 /nfs/dbraw/zinc/92/50/04/585925004.db2.gz BDLBLYRZNJMAKK-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788478391 585925207 /nfs/dbraw/zinc/92/52/07/585925207.db2.gz JMVAXGSRJAGDRC-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788477579 585925359 /nfs/dbraw/zinc/92/53/59/585925359.db2.gz XQTZIKLLBUFIAD-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788477579 585925360 /nfs/dbraw/zinc/92/53/60/585925360.db2.gz XQTZIKLLBUFIAD-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CCC1 ZINC000795191843 586071024 /nfs/dbraw/zinc/07/10/24/586071024.db2.gz HZWAYELFSJJTOX-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(CO)CCC1 ZINC000795191843 586071025 /nfs/dbraw/zinc/07/10/25/586071025.db2.gz HZWAYELFSJJTOX-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178462 586165950 /nfs/dbraw/zinc/16/59/50/586165950.db2.gz VQGDRNMYCVURLK-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000843081401 586237741 /nfs/dbraw/zinc/23/77/41/586237741.db2.gz RMEMLNQYSINLTM-DGCLKSJQSA-N 2 1 238.331 0.198 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CCO)C1CC1)C1CC1 ZINC000809976797 586528357 /nfs/dbraw/zinc/52/83/57/586528357.db2.gz VUOOFVDOESHNOJ-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CCO)C1CC1)C1CC1 ZINC000809976797 586528359 /nfs/dbraw/zinc/52/83/59/586528359.db2.gz VUOOFVDOESHNOJ-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP Cn1ncc(CCC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000815144316 586669443 /nfs/dbraw/zinc/66/94/43/586669443.db2.gz FSNHCXSZDQMNGC-UHFFFAOYSA-N 2 1 237.351 0.432 20 0 BCADMP C[N@H+]1CCC[C@@]2(CCN(CC3OCCO3)C2)C1 ZINC000815143645 586669872 /nfs/dbraw/zinc/66/98/72/586669872.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 1 240.347 0.777 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000815181158 586672756 /nfs/dbraw/zinc/67/27/56/586672756.db2.gz MMGWTPYTWRUNHL-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)CO ZINC000815181158 586672758 /nfs/dbraw/zinc/67/27/58/586672758.db2.gz MMGWTPYTWRUNHL-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890562 586831869 /nfs/dbraw/zinc/83/18/69/586831869.db2.gz UEWBPICAVKRKGB-WOPDTQHZSA-N 2 1 211.353 0.811 20 0 BCADMP CC[C@@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890560 586832089 /nfs/dbraw/zinc/83/20/89/586832089.db2.gz UEWBPICAVKRKGB-TUAOUCFPSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000817914336 586839840 /nfs/dbraw/zinc/83/98/40/586839840.db2.gz VHZMJPJHHPUHOQ-IJLUTSLNSA-N 2 1 211.353 0.940 20 0 BCADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000818973476 586919022 /nfs/dbraw/zinc/91/90/22/586919022.db2.gz XHALZFWLYZOOPI-ZWNOBZJWSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000818986017 586920137 /nfs/dbraw/zinc/92/01/37/586920137.db2.gz CRBDMWNLINLPEN-YNEHKIRRSA-N 2 1 240.347 0.210 20 0 BCADMP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000818986017 586920139 /nfs/dbraw/zinc/92/01/39/586920139.db2.gz CRBDMWNLINLPEN-YNEHKIRRSA-N 2 1 240.347 0.210 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000820295807 587041829 /nfs/dbraw/zinc/04/18/29/587041829.db2.gz OEVCGGFVXMFQQQ-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000820295807 587041832 /nfs/dbraw/zinc/04/18/32/587041832.db2.gz OEVCGGFVXMFQQQ-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163693 589084906 /nfs/dbraw/zinc/08/49/06/589084906.db2.gz CWGLIMMCEQKUOM-VXGBXAGGSA-N 2 1 240.347 0.823 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163693 589084907 /nfs/dbraw/zinc/08/49/07/589084907.db2.gz CWGLIMMCEQKUOM-VXGBXAGGSA-N 2 1 240.347 0.823 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167370 589085725 /nfs/dbraw/zinc/08/57/25/589085725.db2.gz DPTHPCNTDRMERP-ZYHUDNBSSA-N 2 1 249.314 0.458 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167370 589085727 /nfs/dbraw/zinc/08/57/27/589085727.db2.gz DPTHPCNTDRMERP-ZYHUDNBSSA-N 2 1 249.314 0.458 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480675 587121896 /nfs/dbraw/zinc/12/18/96/587121896.db2.gz IPOUIIPOQWTNRW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480675 587121897 /nfs/dbraw/zinc/12/18/97/587121897.db2.gz IPOUIIPOQWTNRW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH2+]CCC(=O)NCCn1cc[nH+]c1C(C)C ZINC000828965462 587476298 /nfs/dbraw/zinc/47/62/98/587476298.db2.gz LSWSNCOKJIDSGG-UHFFFAOYSA-N 2 1 238.335 0.732 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](C)C[NH3+] ZINC000828965378 587476517 /nfs/dbraw/zinc/47/65/17/587476517.db2.gz KKRAEPCJIXFQEH-SNVBAGLBSA-N 2 1 238.335 0.718 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[N@H+]1C ZINC000830463206 587551848 /nfs/dbraw/zinc/55/18/48/587551848.db2.gz LHDYPEXRVQJWBU-JFGNBEQYSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000831970397 587639613 /nfs/dbraw/zinc/63/96/13/587639613.db2.gz FYXCRZLRRPBKLA-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970979 587640299 /nfs/dbraw/zinc/64/02/99/587640299.db2.gz PARDLFWTBPFRRI-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970623 587640331 /nfs/dbraw/zinc/64/03/31/587640331.db2.gz JUKMDHLZUBUPPY-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000831970959 587640501 /nfs/dbraw/zinc/64/05/01/587640501.db2.gz OZFPETWXOGESIB-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970603 587640630 /nfs/dbraw/zinc/64/06/30/587640630.db2.gz JJTZXWCULULILF-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970597 587640873 /nfs/dbraw/zinc/64/08/73/587640873.db2.gz JGPQVCZQMLWKAG-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC(=O)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000841020306 587935742 /nfs/dbraw/zinc/93/57/42/587935742.db2.gz WDZPAPZGWGMHDZ-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C[N@@H+](CC[NH3+])CCO)C(C)(C)C ZINC000841058771 587940962 /nfs/dbraw/zinc/94/09/62/587940962.db2.gz ILYXHZNPXMNWPR-JTQLQIEISA-N 2 1 202.342 0.922 20 0 BCADMP C[C@@H](C[N@@H+](CCN)CCO)C(C)(C)C ZINC000841058771 587940958 /nfs/dbraw/zinc/94/09/58/587940958.db2.gz ILYXHZNPXMNWPR-JTQLQIEISA-N 2 1 202.342 0.922 20 0 BCADMP C[C@@H](C[N@H+](CC[NH3+])CCO)C(C)(C)C ZINC000841058771 587940960 /nfs/dbraw/zinc/94/09/60/587940960.db2.gz ILYXHZNPXMNWPR-JTQLQIEISA-N 2 1 202.342 0.922 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000842477842 588030029 /nfs/dbraw/zinc/03/00/29/588030029.db2.gz BTHCVHUVBJSOTF-CYBMUJFWSA-N 3 1 243.395 0.945 20 0 BCADMP NC[C@@H]1C[N@H+](CCCCCCC[NH3+])CCCO1 ZINC000842477842 588030032 /nfs/dbraw/zinc/03/00/32/588030032.db2.gz BTHCVHUVBJSOTF-CYBMUJFWSA-N 2 1 243.395 0.945 20 0 BCADMP NC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCCO1 ZINC000842477842 588030033 /nfs/dbraw/zinc/03/00/33/588030033.db2.gz BTHCVHUVBJSOTF-CYBMUJFWSA-N 2 1 243.395 0.945 20 0 BCADMP [NH3+]CCCCCCCN1CCCO[C@H](C[NH3+])C1 ZINC000842477842 588030035 /nfs/dbraw/zinc/03/00/35/588030035.db2.gz BTHCVHUVBJSOTF-CYBMUJFWSA-N 2 1 243.395 0.945 20 0 BCADMP C[N@@H+](CC1(CN)CC1)C1CCC([NH3+])CC1 ZINC000843055303 588077776 /nfs/dbraw/zinc/07/77/76/588077776.db2.gz XDQGRUSEACUTBZ-UHFFFAOYSA-N 2 1 211.353 0.927 20 0 BCADMP C[N@@H+](CC1(C[NH3+])CC1)C1CCC([NH3+])CC1 ZINC000843055303 588077771 /nfs/dbraw/zinc/07/77/71/588077771.db2.gz XDQGRUSEACUTBZ-UHFFFAOYSA-N 3 1 211.353 0.927 20 0 BCADMP C[N@H+](CC1(CN)CC1)C1CCC([NH3+])CC1 ZINC000843055303 588077773 /nfs/dbraw/zinc/07/77/73/588077773.db2.gz XDQGRUSEACUTBZ-UHFFFAOYSA-N 2 1 211.353 0.927 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000843475151 588113899 /nfs/dbraw/zinc/11/38/99/588113899.db2.gz ZZOONRUBXINICA-LBPRGKRZSA-N 2 1 248.330 0.164 20 0 BCADMP CC[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000843492623 588115433 /nfs/dbraw/zinc/11/54/33/588115433.db2.gz OWBKPKLSYMBFSK-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000844185032 588170449 /nfs/dbraw/zinc/17/04/49/588170449.db2.gz DJCBSQKFFDXYRB-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH2+]CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000844204910 588173762 /nfs/dbraw/zinc/17/37/62/588173762.db2.gz RLAKFHRATWESGQ-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H](CCO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000844448108 588194548 /nfs/dbraw/zinc/19/45/48/588194548.db2.gz TUKURFFYXIAYNL-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](CCO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000844448108 588194550 /nfs/dbraw/zinc/19/45/50/588194550.db2.gz TUKURFFYXIAYNL-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000846648273 588280914 /nfs/dbraw/zinc/28/09/14/588280914.db2.gz QVYGKXPKKNHKBF-JTQLQIEISA-N 2 1 241.335 0.080 20 0 BCADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000107149796 588332035 /nfs/dbraw/zinc/33/20/35/588332035.db2.gz QGKSGMBBMGSEEJ-JTQLQIEISA-N 2 1 208.309 0.807 20 0 BCADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC(=O)N1 ZINC000848600941 588401348 /nfs/dbraw/zinc/40/13/48/588401348.db2.gz OIXMZOJJHAHEDW-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC(=O)N1 ZINC000848600941 588401350 /nfs/dbraw/zinc/40/13/50/588401350.db2.gz OIXMZOJJHAHEDW-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CNC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000848981700 588424098 /nfs/dbraw/zinc/42/40/98/588424098.db2.gz UOKMKLHSYQOOKS-GFCCVEGCSA-N 2 1 234.347 0.903 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N1CCC1 ZINC000848987685 588426340 /nfs/dbraw/zinc/42/63/40/588426340.db2.gz QHJKRBWPLQXEMO-UHFFFAOYSA-N 2 1 221.308 0.812 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000848987615 588426442 /nfs/dbraw/zinc/42/64/42/588426442.db2.gz KZNHJQYUDNLDSV-LLVKDONJSA-N 2 1 224.352 0.948 20 0 BCADMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC1 ZINC000848992591 588427845 /nfs/dbraw/zinc/42/78/45/588427845.db2.gz LAMHVSWVPHHURP-JTQLQIEISA-N 2 1 222.336 0.701 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000848993175 588428000 /nfs/dbraw/zinc/42/80/00/588428000.db2.gz CZNVBQYFHPWHMK-LLVKDONJSA-N 2 1 244.383 0.867 20 0 BCADMP CCOCCCNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997447 588429673 /nfs/dbraw/zinc/42/96/73/588429673.db2.gz JFZCFLNOVQMJIB-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP CCOCCCNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997447 588429674 /nfs/dbraw/zinc/42/96/74/588429674.db2.gz JFZCFLNOVQMJIB-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP CCCCNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997647 588430153 /nfs/dbraw/zinc/43/01/53/588430153.db2.gz XCZRWESEXJOQDT-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CCCCNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997647 588430154 /nfs/dbraw/zinc/43/01/54/588430154.db2.gz XCZRWESEXJOQDT-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCOC ZINC000849000997 588430736 /nfs/dbraw/zinc/43/07/36/588430736.db2.gz NKLPGDVMYRWZRC-JTQLQIEISA-N 2 1 230.356 0.477 20 0 BCADMP CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000849001760 588431113 /nfs/dbraw/zinc/43/11/13/588431113.db2.gz AHALKFOZGWPGCK-SNVBAGLBSA-N 2 1 228.340 0.231 20 0 BCADMP CNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000849003877 588431512 /nfs/dbraw/zinc/43/15/12/588431512.db2.gz MFLGGJHXKKGETK-SECBINFHSA-N 2 1 216.354 0.167 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004614 588431776 /nfs/dbraw/zinc/43/17/76/588431776.db2.gz RMNZVZDTAHDZFD-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000849004681 588432051 /nfs/dbraw/zinc/43/20/51/588432051.db2.gz VPTCOKHBDAHCBH-LLVKDONJSA-N 2 1 224.352 0.609 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000849005133 588432067 /nfs/dbraw/zinc/43/20/67/588432067.db2.gz ZEIYZHGJJRGDHD-SNVBAGLBSA-N 2 1 224.352 0.947 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849004778 588432208 /nfs/dbraw/zinc/43/22/08/588432208.db2.gz ZEDSVNROSHSDID-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP CCCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021031 588438966 /nfs/dbraw/zinc/43/89/66/588438966.db2.gz HSZBABVLIJWMKI-UHFFFAOYSA-N 2 1 228.340 0.233 20 0 BCADMP CCCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021031 588438967 /nfs/dbraw/zinc/43/89/67/588438967.db2.gz HSZBABVLIJWMKI-UHFFFAOYSA-N 2 1 228.340 0.233 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849033906 588443939 /nfs/dbraw/zinc/44/39/39/588443939.db2.gz DMUZIQFWVXLQFZ-LLVKDONJSA-N 2 1 242.367 0.356 20 0 BCADMP CCN(CC)C(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849037816 588445880 /nfs/dbraw/zinc/44/58/80/588445880.db2.gz CBSPXUNCBDICDW-UHFFFAOYSA-N 2 1 242.367 0.309 20 0 BCADMP CCCCNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038043 588446199 /nfs/dbraw/zinc/44/61/99/588446199.db2.gz HCLHRCDGWXTGHT-UHFFFAOYSA-N 2 1 242.367 0.357 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039305 588446898 /nfs/dbraw/zinc/44/68/98/588446898.db2.gz RGZDSJDVOMZASX-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP C[N@@H+](C[C@@H]1CNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782205 588627948 /nfs/dbraw/zinc/62/79/48/588627948.db2.gz OHTYFECSRYQJCL-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@@H]1CNC(=O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000851782205 588627949 /nfs/dbraw/zinc/62/79/49/588627949.db2.gz OHTYFECSRYQJCL-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@@H]1CNC(=O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000851782205 588627950 /nfs/dbraw/zinc/62/79/50/588627950.db2.gz OHTYFECSRYQJCL-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000852121364 588664966 /nfs/dbraw/zinc/66/49/66/588664966.db2.gz PDVKUUWWHHDXDM-LLVKDONJSA-N 2 1 245.273 0.893 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000852121364 588664967 /nfs/dbraw/zinc/66/49/67/588664967.db2.gz PDVKUUWWHHDXDM-LLVKDONJSA-N 2 1 245.273 0.893 20 0 BCADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000852716065 588697639 /nfs/dbraw/zinc/69/76/39/588697639.db2.gz GYHNYYUZLXRVCN-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000852716065 588697640 /nfs/dbraw/zinc/69/76/40/588697640.db2.gz GYHNYYUZLXRVCN-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852755220 588700749 /nfs/dbraw/zinc/70/07/49/588700749.db2.gz HVQWULWAYGWONE-MNOVXSKESA-N 2 1 239.319 0.122 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824069 588705772 /nfs/dbraw/zinc/70/57/72/588705772.db2.gz OZKXTVOVVGETQX-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)CCCCC[NH3+] ZINC000852836480 588707160 /nfs/dbraw/zinc/70/71/60/588707160.db2.gz AEWZEDVQMUDUOS-UHFFFAOYSA-N 2 1 224.308 0.887 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000861565084 589168618 /nfs/dbraw/zinc/16/86/18/589168618.db2.gz FJWUICPETYPSJE-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861632527 589171459 /nfs/dbraw/zinc/17/14/59/589171459.db2.gz GEYDDTXOGFBSOQ-MNOVXSKESA-N 2 1 244.383 0.704 20 0 BCADMP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000863542352 589297016 /nfs/dbraw/zinc/29/70/16/589297016.db2.gz QCGOJDWLQCEWBC-JLLWLGSASA-N 2 1 238.331 0.978 20 0 BCADMP CC1(C)CC(C[N@H+](CC[NH3+])CCO)C1 ZINC000863542745 589297362 /nfs/dbraw/zinc/29/73/62/589297362.db2.gz YNMZCRIOWYDYFX-UHFFFAOYSA-N 2 1 200.326 0.676 20 0 BCADMP CC1(C)CC(C[N@@H+](CC[NH3+])CCO)C1 ZINC000863542745 589297363 /nfs/dbraw/zinc/29/73/63/589297363.db2.gz YNMZCRIOWYDYFX-UHFFFAOYSA-N 2 1 200.326 0.676 20 0 BCADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000863546155 589297647 /nfs/dbraw/zinc/29/76/47/589297647.db2.gz FEHORYDWMBUHPK-GHMZBOCLSA-N 2 1 210.321 0.897 20 0 BCADMP NC(=O)C[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000863565082 589299320 /nfs/dbraw/zinc/29/93/20/589299320.db2.gz ZGLRZGGOCQTHBZ-NSHDSACASA-N 2 1 243.351 0.082 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]cn2)C1 ZINC000864049488 589334403 /nfs/dbraw/zinc/33/44/03/589334403.db2.gz HPELOJRQZCCEKP-JGZJWPJOSA-N 2 1 208.309 0.840 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc(N)cn2)C1 ZINC000864055614 589335566 /nfs/dbraw/zinc/33/55/66/589335566.db2.gz UDDHYYGHRTVGBT-SNVBAGLBSA-N 2 1 249.362 0.927 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000864451271 589364603 /nfs/dbraw/zinc/36/46/03/589364603.db2.gz HAPUIUNFMOHQRI-KXUCPTDWSA-N 2 1 210.325 0.460 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864451787 589365174 /nfs/dbraw/zinc/36/51/74/589365174.db2.gz JSQJALGPQPMFQM-JFGNBEQYSA-N 2 1 236.363 0.993 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864453304 589365427 /nfs/dbraw/zinc/36/54/27/589365427.db2.gz UNKZIPYRTDCPHD-AXFHLTTASA-N 2 1 224.352 0.851 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864455940 589367136 /nfs/dbraw/zinc/36/71/36/589367136.db2.gz AYBAKMURVDBRQM-VHSXEESVSA-N 2 1 212.341 0.849 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864455938 589366930 /nfs/dbraw/zinc/36/69/30/589366930.db2.gz AYBAKMURVDBRQM-UWVGGRQHSA-N 2 1 212.341 0.849 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000864456580 589367217 /nfs/dbraw/zinc/36/72/17/589367217.db2.gz JPSPENXDHGTUAN-MXWKQRLJSA-N 2 1 224.352 0.851 20 0 BCADMP [NH2+]=C(NCCC1CC1)NCC[NH+]1CCC1 ZINC000864461573 589369203 /nfs/dbraw/zinc/36/92/03/589369203.db2.gz PXTRQRVACCTYKE-UHFFFAOYSA-N 2 1 210.325 0.606 20 0 BCADMP CCC(CC)NC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000864464037 589370164 /nfs/dbraw/zinc/37/01/64/589370164.db2.gz PLRKWZWOAXOQLV-GFCCVEGCSA-N 2 1 242.367 0.356 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000864464434 589370652 /nfs/dbraw/zinc/37/06/52/589370652.db2.gz VXJWDWIRAINVGS-WDEREUQCSA-N 2 1 240.351 0.231 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000864464434 589370654 /nfs/dbraw/zinc/37/06/54/589370654.db2.gz VXJWDWIRAINVGS-WDEREUQCSA-N 2 1 240.351 0.231 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594606 589440605 /nfs/dbraw/zinc/44/06/05/589440605.db2.gz VBPBPVGRASWCHZ-NWDGAFQWSA-N 2 1 240.347 0.823 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)C1CCC([NH3+])CC1 ZINC000866660943 589508222 /nfs/dbraw/zinc/50/82/22/589508222.db2.gz JEKZKAJKJATCAA-HTAVTVPLSA-N 2 1 249.362 0.967 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nnnn1C ZINC000866661796 589509119 /nfs/dbraw/zinc/50/91/19/589509119.db2.gz UYSSDSCMZUWNMU-JTQLQIEISA-N 2 1 240.355 0.058 20 0 BCADMP [NH3+]CCCCCCN1CCC([NH2+]CCO)CC1 ZINC000866682183 589511314 /nfs/dbraw/zinc/51/13/14/589511314.db2.gz JKZWLLVHWZLDOT-UHFFFAOYSA-N 2 1 243.395 0.552 20 0 BCADMP C[NH2+]CCCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866704133 589513470 /nfs/dbraw/zinc/51/34/70/589513470.db2.gz QNQNFXKKILPQMQ-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP CC1(C)C[C@@H](O)C[N@@H+](CCOCC[NH3+])C1 ZINC000866702393 589513695 /nfs/dbraw/zinc/51/36/95/589513695.db2.gz AIKZNGYZQGJMMT-SNVBAGLBSA-N 2 1 216.325 0.055 20 0 BCADMP C[NH2+]CCCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866704136 589513806 /nfs/dbraw/zinc/51/38/06/589513806.db2.gz QNQNFXKKILPQMQ-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCOCC[NH3+])C1 ZINC000866706221 589514184 /nfs/dbraw/zinc/51/41/84/589514184.db2.gz GPDGIDPKLUZHRV-CYBMUJFWSA-N 3 1 243.395 0.659 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871536 589693446 /nfs/dbraw/zinc/69/34/46/589693446.db2.gz DPDJHYZWLALFHX-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000870907546 589695931 /nfs/dbraw/zinc/69/59/31/589695931.db2.gz YVSGLVHKLAHNFD-NGZCFLSTSA-N 2 1 225.336 0.323 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870941275 589699554 /nfs/dbraw/zinc/69/95/54/589699554.db2.gz SVZNHVWBZKGNRT-OCAPTIKFSA-N 2 1 235.278 0.214 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981481 589703078 /nfs/dbraw/zinc/70/30/78/589703078.db2.gz IXTCKXWOFKATSV-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980758 589704534 /nfs/dbraw/zinc/70/45/34/589704534.db2.gz BOIJITJJODSUFE-FIQHERPVSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981523 589704740 /nfs/dbraw/zinc/70/47/40/589704740.db2.gz JGKAZQOBRMKGBL-GRYCIOLGSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981597 589704770 /nfs/dbraw/zinc/70/47/70/589704770.db2.gz JOMIBEZKXVQGRG-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980853 589704796 /nfs/dbraw/zinc/70/47/96/589704796.db2.gz CZYYWVFPBZAHOE-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982962 589705057 /nfs/dbraw/zinc/70/50/57/589705057.db2.gz QZOSNTHVKKVORR-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985470 589706184 /nfs/dbraw/zinc/70/61/84/589706184.db2.gz FARGRIZKSHPVLB-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CCCC[N@@H+](C)CCNC(=[NH2+])N(C)CCOC ZINC000871604357 589771537 /nfs/dbraw/zinc/77/15/37/589771537.db2.gz CGNSYKWTAWUOOD-UHFFFAOYSA-N 2 1 244.383 0.821 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123748573 589792661 /nfs/dbraw/zinc/79/26/61/589792661.db2.gz BDBSWYVFPIZQOV-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP O[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872141056 589881908 /nfs/dbraw/zinc/88/19/08/589881908.db2.gz JLUAMZFODFUSIP-FDYHWXHSSA-N 2 1 240.347 0.353 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000872153965 589884614 /nfs/dbraw/zinc/88/46/14/589884614.db2.gz KXDPAKCGMNOKFC-DMDPSCGWSA-N 2 1 247.346 0.307 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1=O ZINC000872153607 589885011 /nfs/dbraw/zinc/88/50/11/589885011.db2.gz MFQHWFNXIRMTJG-GXTWGEPZSA-N 2 1 247.342 0.427 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154132 589885765 /nfs/dbraw/zinc/88/57/65/589885765.db2.gz NYUJPAUCEAGHDD-WCQYABFASA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154132 589885769 /nfs/dbraw/zinc/88/57/69/589885769.db2.gz NYUJPAUCEAGHDD-WCQYABFASA-N 2 1 240.347 0.869 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154128 589886009 /nfs/dbraw/zinc/88/60/09/589886009.db2.gz NTMIVKNGRRMJOF-CMPLNLGQSA-N 2 1 226.320 0.481 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154128 589886010 /nfs/dbraw/zinc/88/60/10/589886010.db2.gz NTMIVKNGRRMJOF-CMPLNLGQSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204363 589891536 /nfs/dbraw/zinc/89/15/36/589891536.db2.gz OUHSBDPRZYLEEP-WOPDTQHZSA-N 2 1 244.379 0.581 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124015774 589903692 /nfs/dbraw/zinc/90/36/92/589903692.db2.gz DAKMPFJNJDCSRM-NSHDSACASA-N 2 1 227.352 0.570 20 0 BCADMP O[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873202988 589992682 /nfs/dbraw/zinc/99/26/82/589992682.db2.gz LARADPZGPGUBBI-JTQLQIEISA-N 2 1 238.356 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873200766 589993039 /nfs/dbraw/zinc/99/30/39/589993039.db2.gz FRNBWYQPJTXIAV-ZJUUUORDSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873200766 589993042 /nfs/dbraw/zinc/99/30/42/589993042.db2.gz FRNBWYQPJTXIAV-ZJUUUORDSA-N 2 1 235.335 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000873210206 589994933 /nfs/dbraw/zinc/99/49/33/589994933.db2.gz YUDRDMJKHCZIPW-SNVBAGLBSA-N 2 1 235.335 0.620 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214003 589997112 /nfs/dbraw/zinc/99/71/12/589997112.db2.gz ULIXFOVPWOUTOK-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214003 589997113 /nfs/dbraw/zinc/99/71/13/589997113.db2.gz ULIXFOVPWOUTOK-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214005 589997310 /nfs/dbraw/zinc/99/73/10/589997310.db2.gz ULIXFOVPWOUTOK-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214005 589997311 /nfs/dbraw/zinc/99/73/11/589997311.db2.gz ULIXFOVPWOUTOK-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP Nc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000873214027 589997459 /nfs/dbraw/zinc/99/74/59/589997459.db2.gz VCMDPWYCTGRSGJ-GWCFXTLKSA-N 2 1 247.346 0.620 20 0 BCADMP Nc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000873214027 589997462 /nfs/dbraw/zinc/99/74/62/589997462.db2.gz VCMDPWYCTGRSGJ-GWCFXTLKSA-N 2 1 247.346 0.620 20 0 BCADMP Nc1cnc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000873213408 589997538 /nfs/dbraw/zinc/99/75/38/589997538.db2.gz YJOVLTWONPEUJO-SECBINFHSA-N 2 1 221.308 0.291 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221060 589999579 /nfs/dbraw/zinc/99/95/79/589999579.db2.gz ZBXONSPDTFZLHR-JQWIXIFHSA-N 3 1 211.353 0.716 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000873221848 589999594 /nfs/dbraw/zinc/99/95/94/589999594.db2.gz RNEAODFPDDCLAS-YIFLHPOLSA-N 2 1 235.375 0.764 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221021 589999632 /nfs/dbraw/zinc/99/96/32/589999632.db2.gz XEWXGMHXMPNWDI-NQBHXWOUSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1(C[NH3+])CC1)C2 ZINC000873229239 590001009 /nfs/dbraw/zinc/00/10/09/590001009.db2.gz PZDKLLOJHDJZFA-WDEREUQCSA-N 3 1 209.337 0.267 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1(C[NH3+])CC1)C2 ZINC000873229239 590001012 /nfs/dbraw/zinc/00/10/12/590001012.db2.gz PZDKLLOJHDJZFA-WDEREUQCSA-N 3 1 209.337 0.267 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229317 590002177 /nfs/dbraw/zinc/00/21/77/590002177.db2.gz RSXVMOKTQBGVES-RWMBFGLXSA-N 3 1 225.380 0.759 20 0 BCADMP CC(C)[C@@H](C[NH3+])CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229317 590002180 /nfs/dbraw/zinc/00/21/80/590002180.db2.gz RSXVMOKTQBGVES-RWMBFGLXSA-N 2 1 225.380 0.759 20 0 BCADMP N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256534 590011970 /nfs/dbraw/zinc/01/19/70/590011970.db2.gz OYBZJBKTPKJQEN-DDHJBXDOSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272407 590016142 /nfs/dbraw/zinc/01/61/42/590016142.db2.gz RVEKBRDWAVUCFY-NTZNESFSSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873283539 590019294 /nfs/dbraw/zinc/01/92/94/590019294.db2.gz WESDSYUULYWCFE-UTUOFQBUSA-N 2 1 240.347 0.917 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873283538 590019497 /nfs/dbraw/zinc/01/94/97/590019497.db2.gz WESDSYUULYWCFE-IJLUTSLNSA-N 2 1 240.347 0.917 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874338205 590104650 /nfs/dbraw/zinc/10/46/50/590104650.db2.gz VRWITXDJYAKRKH-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822167 590141167 /nfs/dbraw/zinc/14/11/67/590141167.db2.gz GKIBRNVPZUCDEM-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874837709 590143086 /nfs/dbraw/zinc/14/30/86/590143086.db2.gz JDIDRCODEYBRIK-QWRGUYRKSA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874837709 590143087 /nfs/dbraw/zinc/14/30/87/590143087.db2.gz JDIDRCODEYBRIK-QWRGUYRKSA-N 2 1 225.336 0.243 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514522 590206104 /nfs/dbraw/zinc/20/61/04/590206104.db2.gz XOFKBWWVTIJKEH-NSHDSACASA-N 2 1 236.319 0.389 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876706813 590232151 /nfs/dbraw/zinc/23/21/51/590232151.db2.gz HNLFEHCYNAYRRF-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876706814 590232194 /nfs/dbraw/zinc/23/21/94/590232194.db2.gz HNLFEHCYNAYRRF-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737458 590234764 /nfs/dbraw/zinc/23/47/64/590234764.db2.gz QWADFSUOYIZTLG-ONGXEEELSA-N 2 1 243.326 0.144 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876789516 590241511 /nfs/dbraw/zinc/24/15/11/590241511.db2.gz CQSRBJVHJLPJPW-ZJUUUORDSA-N 2 1 225.336 0.134 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000876792929 590241863 /nfs/dbraw/zinc/24/18/63/590241863.db2.gz ZYAMZYLODRXNBP-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876806263 590244358 /nfs/dbraw/zinc/24/43/58/590244358.db2.gz MIUOTZGULWNZFF-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871921 590251965 /nfs/dbraw/zinc/25/19/65/590251965.db2.gz ODGCIZHVGLMDSU-MNOVXSKESA-N 2 1 234.303 0.012 20 0 BCADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000876883016 590252760 /nfs/dbraw/zinc/25/27/60/590252760.db2.gz XUUNWTXYSVZSKF-NWRGJWMSSA-N 2 1 234.303 0.438 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877081423 590279783 /nfs/dbraw/zinc/27/97/83/590279783.db2.gz AWRGAOXEDCFLNT-AXFHLTTASA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877081474 590280115 /nfs/dbraw/zinc/28/01/15/590280115.db2.gz CGNIGQKYXLSANW-GARJFASQSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102505 590283829 /nfs/dbraw/zinc/28/38/29/590283829.db2.gz JDSBDKKDOLGIBG-SECBINFHSA-N 2 1 201.314 0.132 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000877102677 590283859 /nfs/dbraw/zinc/28/38/59/590283859.db2.gz LAORDQKEHWPHND-MXWKQRLJSA-N 2 1 227.352 0.665 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103923 590284244 /nfs/dbraw/zinc/28/42/44/590284244.db2.gz WUNAYMQSOVPWBY-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103920 590284365 /nfs/dbraw/zinc/28/43/65/590284365.db2.gz WUNAYMQSOVPWBY-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877248936 590301620 /nfs/dbraw/zinc/30/16/20/590301620.db2.gz GJJSLFAKVADMHI-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877250376 590303543 /nfs/dbraw/zinc/30/35/43/590303543.db2.gz PNHQDZOKQAUEJF-BJDJZHNGSA-N 2 1 237.347 0.276 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877251055 590303966 /nfs/dbraw/zinc/30/39/66/590303966.db2.gz WYHGDNXUTMPESO-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)C1CC[NH2+]CC1 ZINC000877254723 590304289 /nfs/dbraw/zinc/30/42/89/590304289.db2.gz ASCOPGHEJXYXQQ-WCBMZHEXSA-N 2 1 243.376 0.153 20 0 BCADMP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CC[NH2+]CC1 ZINC000877254724 590304357 /nfs/dbraw/zinc/30/43/57/590304357.db2.gz ASCOPGHEJXYXQQ-WPRPVWTQSA-N 2 1 243.376 0.153 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284752 590306800 /nfs/dbraw/zinc/30/68/00/590306800.db2.gz VZKKAZGWQUVWQI-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386884 590321694 /nfs/dbraw/zinc/32/16/94/590321694.db2.gz ULQMDKBQGYVAMG-WCQYABFASA-N 2 1 248.330 0.592 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)CCn1cnnn1 ZINC000878549621 590590854 /nfs/dbraw/zinc/59/08/54/590590854.db2.gz IGGLXXMLZGTPIE-UHFFFAOYSA-N 2 1 238.339 0.091 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)CCn1cnnn1 ZINC000878549621 590590855 /nfs/dbraw/zinc/59/08/55/590590855.db2.gz IGGLXXMLZGTPIE-UHFFFAOYSA-N 2 1 238.339 0.091 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569373 590806669 /nfs/dbraw/zinc/80/66/69/590806669.db2.gz OCFUKNDQTHTECY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569373 590806672 /nfs/dbraw/zinc/80/66/72/590806672.db2.gz OCFUKNDQTHTECY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569373 590806678 /nfs/dbraw/zinc/80/66/78/590806678.db2.gz OCFUKNDQTHTECY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569373 590806682 /nfs/dbraw/zinc/80/66/82/590806682.db2.gz OCFUKNDQTHTECY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571264 590809372 /nfs/dbraw/zinc/80/93/72/590809372.db2.gz OIMIDCZOBCPXFZ-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571264 590809375 /nfs/dbraw/zinc/80/93/75/590809375.db2.gz OIMIDCZOBCPXFZ-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571264 590809377 /nfs/dbraw/zinc/80/93/77/590809377.db2.gz OIMIDCZOBCPXFZ-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571264 590809382 /nfs/dbraw/zinc/80/93/82/590809382.db2.gz OIMIDCZOBCPXFZ-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580011 590816891 /nfs/dbraw/zinc/81/68/91/590816891.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580011 590816893 /nfs/dbraw/zinc/81/68/93/590816893.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580011 590816896 /nfs/dbraw/zinc/81/68/96/590816896.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 2 1 244.404 0.736 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)nn1 ZINC000879579567 590817094 /nfs/dbraw/zinc/81/70/94/590817094.db2.gz NZOOPXLXAJUZJT-WCQYABFASA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)nn1 ZINC000879579567 590817096 /nfs/dbraw/zinc/81/70/96/590817096.db2.gz NZOOPXLXAJUZJT-WCQYABFASA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nn1 ZINC000879579567 590817099 /nfs/dbraw/zinc/81/70/99/590817099.db2.gz NZOOPXLXAJUZJT-WCQYABFASA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nn1 ZINC000879579567 590817101 /nfs/dbraw/zinc/81/71/01/590817101.db2.gz NZOOPXLXAJUZJT-WCQYABFASA-N 2 1 249.362 0.384 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582611 590822679 /nfs/dbraw/zinc/82/26/79/590822679.db2.gz SLTZQPKDWMMNPL-STQMWFEESA-N 2 1 234.347 0.978 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582611 590822681 /nfs/dbraw/zinc/82/26/81/590822681.db2.gz SLTZQPKDWMMNPL-STQMWFEESA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582611 590822682 /nfs/dbraw/zinc/82/26/82/590822682.db2.gz SLTZQPKDWMMNPL-STQMWFEESA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582611 590822685 /nfs/dbraw/zinc/82/26/85/590822685.db2.gz SLTZQPKDWMMNPL-STQMWFEESA-N 2 1 234.347 0.978 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880492266 591068675 /nfs/dbraw/zinc/06/86/75/591068675.db2.gz PKDYCLOHRSWHGW-GFCCVEGCSA-N 2 1 221.304 0.585 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1CC=C[C@@H]1CO ZINC000880492266 591068679 /nfs/dbraw/zinc/06/86/79/591068679.db2.gz PKDYCLOHRSWHGW-GFCCVEGCSA-N 2 1 221.304 0.585 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000882486348 591360899 /nfs/dbraw/zinc/36/08/99/591360899.db2.gz QMJCZTULLRQKGA-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000882486348 591360904 /nfs/dbraw/zinc/36/09/04/591360904.db2.gz QMJCZTULLRQKGA-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000882486348 591360908 /nfs/dbraw/zinc/36/09/08/591360908.db2.gz QMJCZTULLRQKGA-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC000882485159 591362668 /nfs/dbraw/zinc/36/26/68/591362668.db2.gz FOVWCCZIZCDEQB-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000883414688 591652621 /nfs/dbraw/zinc/65/26/21/591652621.db2.gz CYMYBALNPICMPT-LBPRGKRZSA-N 2 1 241.379 0.818 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000883423810 591659126 /nfs/dbraw/zinc/65/91/26/591659126.db2.gz WBRCEQCKKSUPMC-AGIUHOORSA-N 2 1 243.370 0.960 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430998 591662197 /nfs/dbraw/zinc/66/21/97/591662197.db2.gz JXXPLYBAZPQSDB-USZNOCQGSA-N 2 1 229.343 0.711 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883461028 591673775 /nfs/dbraw/zinc/67/37/75/591673775.db2.gz MKYYDODJZWPLHJ-IJLUTSLNSA-N 2 1 228.336 0.332 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889253 591745269 /nfs/dbraw/zinc/74/52/69/591745269.db2.gz ILURUOMDZPQLPV-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888460 591745593 /nfs/dbraw/zinc/74/55/93/591745593.db2.gz LFCLZMVLVCROBQ-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000884289937 591894489 /nfs/dbraw/zinc/89/44/89/591894489.db2.gz NLRPMRSKAADEFN-DTWKUNHWSA-N 2 1 247.289 0.179 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884366295 591917587 /nfs/dbraw/zinc/91/75/87/591917587.db2.gz XKAUOKFFPXJGJS-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000134490578 591931956 /nfs/dbraw/zinc/93/19/56/591931956.db2.gz NTOGGCHCCJQFRO-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1cc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884825312 592023562 /nfs/dbraw/zinc/02/35/62/592023562.db2.gz PSBJZBMYNWGALS-UHFFFAOYSA-N 2 1 209.293 0.148 20 0 BCADMP CCc1nc(NCC[N@H+](C)CCO)cc(C)[nH+]1 ZINC000884825346 592023858 /nfs/dbraw/zinc/02/38/58/592023858.db2.gz RDOZPOHLMJBALB-UHFFFAOYSA-N 2 1 238.335 0.683 20 0 BCADMP CCc1nc(NCC[N@@H+](C)CCO)cc(C)[nH+]1 ZINC000884825346 592023861 /nfs/dbraw/zinc/02/38/61/592023861.db2.gz RDOZPOHLMJBALB-UHFFFAOYSA-N 2 1 238.335 0.683 20 0 BCADMP CCc1nccc(NCC[N@@H+](C)CCO)n1 ZINC000884825967 592024014 /nfs/dbraw/zinc/02/40/14/592024014.db2.gz ANCSKXPDBHDGAY-UHFFFAOYSA-N 2 1 224.308 0.375 20 0 BCADMP CC[S@@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000217328799 592104937 /nfs/dbraw/zinc/10/49/37/592104937.db2.gz MOOLUHJJKNMTOB-DFHPZWACSA-N 2 1 244.404 0.970 20 0 BCADMP CC[S@@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217328799 592104939 /nfs/dbraw/zinc/10/49/39/592104939.db2.gz MOOLUHJJKNMTOB-DFHPZWACSA-N 2 1 244.404 0.970 20 0 BCADMP C[C@](O)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000885960686 592115569 /nfs/dbraw/zinc/11/55/69/592115569.db2.gz OXMTVZRJNSMRCE-MRTMQBJTSA-N 2 1 220.263 0.154 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886826979 592348455 /nfs/dbraw/zinc/34/84/55/592348455.db2.gz BBOOSSBZJZEEJZ-QJPTWQEYSA-N 2 1 210.321 0.694 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886826980 592348658 /nfs/dbraw/zinc/34/86/58/592348658.db2.gz BBOOSSBZJZEEJZ-SDDRHHMPSA-N 2 1 210.321 0.694 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886840330 592360313 /nfs/dbraw/zinc/36/03/13/592360313.db2.gz ZEXRCWRUUPSTOG-USZNOCQGSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839916 592361705 /nfs/dbraw/zinc/36/17/05/592361705.db2.gz OPCWVGPRIMSHBO-YNEHKIRRSA-N 2 1 240.347 0.463 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841376 592362101 /nfs/dbraw/zinc/36/21/01/592362101.db2.gz JLPSCWLKLLQGJK-WISYIIOYSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841376 592362105 /nfs/dbraw/zinc/36/21/05/592362105.db2.gz JLPSCWLKLLQGJK-WISYIIOYSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886860115 592372111 /nfs/dbraw/zinc/37/21/11/592372111.db2.gz RTTLMQNGHHJOBX-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874314 592377256 /nfs/dbraw/zinc/37/72/56/592377256.db2.gz LKBGHJALSHZIMU-WCQYABFASA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874314 592377260 /nfs/dbraw/zinc/37/72/60/592377260.db2.gz LKBGHJALSHZIMU-WCQYABFASA-N 2 1 239.363 0.716 20 0 BCADMP O=C1NCC[C@H]1[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874039 592377467 /nfs/dbraw/zinc/37/74/67/592377467.db2.gz FDHXWBYKVNIGKO-DGCLKSJQSA-N 2 1 237.347 0.341 20 0 BCADMP O=C1NCC[C@H]1[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874039 592377473 /nfs/dbraw/zinc/37/74/73/592377473.db2.gz FDHXWBYKVNIGKO-DGCLKSJQSA-N 2 1 237.347 0.341 20 0 BCADMP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874563 592378153 /nfs/dbraw/zinc/37/81/53/592378153.db2.gz QLHJLCKPURHJCM-CMPLNLGQSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874563 592378157 /nfs/dbraw/zinc/37/81/57/592378157.db2.gz QLHJLCKPURHJCM-CMPLNLGQSA-N 2 1 225.336 0.326 20 0 BCADMP COC[C@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CCCOC1 ZINC000886915833 592395557 /nfs/dbraw/zinc/39/55/57/592395557.db2.gz KQZRLEQNRUASHC-PWSUYJOCSA-N 2 1 239.319 0.941 20 0 BCADMP CC[C@H](C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC000887057480 592434121 /nfs/dbraw/zinc/43/41/21/592434121.db2.gz HTLDXMWJUIUGCF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC000887057481 592434139 /nfs/dbraw/zinc/43/41/39/592434139.db2.gz HTLDXMWJUIUGCF-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349862 592485343 /nfs/dbraw/zinc/48/53/43/592485343.db2.gz MCIMPHJRKMNUAN-SSDOTTSWSA-N 2 1 220.267 0.317 20 0 BCADMP C[C@@H](CNC(=[NH2+])NCC(F)F)[NH+](C)C ZINC000887351050 592485349 /nfs/dbraw/zinc/48/53/49/592485349.db2.gz DPEQIKDZGYOLAZ-LURJTMIESA-N 2 1 208.256 0.316 20 0 BCADMP [NH2+]=C(NCC(F)F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000887358230 592489124 /nfs/dbraw/zinc/48/91/24/592489124.db2.gz XDRZAXOJKUIABF-ZETCQYMHSA-N 2 1 243.261 0.577 20 0 BCADMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NCC1CC1 ZINC000887358178 592489419 /nfs/dbraw/zinc/48/94/19/592489419.db2.gz UYRSZIQZRXIKPD-UHFFFAOYSA-N 2 1 240.351 0.233 20 0 BCADMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NCC1CC1 ZINC000887358178 592489422 /nfs/dbraw/zinc/48/94/22/592489422.db2.gz UYRSZIQZRXIKPD-UHFFFAOYSA-N 2 1 240.351 0.233 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+](C)C ZINC000890068392 592676883 /nfs/dbraw/zinc/67/68/83/592676883.db2.gz QCJPOZLLGJJBDL-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925703668 634382677 /nfs/dbraw/zinc/38/26/77/634382677.db2.gz AXBWEWGMQUMBEJ-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925719417 634456840 /nfs/dbraw/zinc/45/68/40/634456840.db2.gz ROQLVSUIIVTNCU-SNIKSBKOSA-N 2 1 235.375 0.667 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257711169 634477874 /nfs/dbraw/zinc/47/78/74/634477874.db2.gz SXQKSAUOXSKPMD-NWDGAFQWSA-N 2 1 210.321 0.851 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000111828438 634535990 /nfs/dbraw/zinc/53/59/90/634535990.db2.gz UAFWHZFNGAUWFS-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031206 634548659 /nfs/dbraw/zinc/54/86/59/634548659.db2.gz NVVWALHHVDJKHT-SNVBAGLBSA-N 2 1 236.319 0.956 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000925890698 635616577 /nfs/dbraw/zinc/61/65/77/635616577.db2.gz QPJFPSCMONPOJP-DCAQKATOSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000925890697 635616770 /nfs/dbraw/zinc/61/67/70/635616770.db2.gz QPJFPSCMONPOJP-AXFHLTTASA-N 2 1 249.362 0.403 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000083367381 631423283 /nfs/dbraw/zinc/42/32/83/631423283.db2.gz ZIHBCIXEAHSLAX-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+](CCCS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000085869718 631464389 /nfs/dbraw/zinc/46/43/89/631464389.db2.gz ZDKCOMMDMOXPKV-UHFFFAOYSA-N 2 1 248.392 0.623 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733441 631494088 /nfs/dbraw/zinc/49/40/88/631494088.db2.gz JJAHRNRAHPZFFM-WZRBSPASSA-N 2 1 238.331 0.576 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733441 631494097 /nfs/dbraw/zinc/49/40/97/631494097.db2.gz JJAHRNRAHPZFFM-WZRBSPASSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733441 631494104 /nfs/dbraw/zinc/49/41/04/631494104.db2.gz JJAHRNRAHPZFFM-WZRBSPASSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733441 631494114 /nfs/dbraw/zinc/49/41/14/631494114.db2.gz JJAHRNRAHPZFFM-WZRBSPASSA-N 2 1 238.331 0.576 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933732686 631495232 /nfs/dbraw/zinc/49/52/32/631495232.db2.gz AUYUZCAKJMRLLM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933732686 631495236 /nfs/dbraw/zinc/49/52/36/631495236.db2.gz AUYUZCAKJMRLLM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933732686 631495240 /nfs/dbraw/zinc/49/52/40/631495240.db2.gz AUYUZCAKJMRLLM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495713 /nfs/dbraw/zinc/49/57/13/631495713.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495715 /nfs/dbraw/zinc/49/57/15/631495715.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495718 /nfs/dbraw/zinc/49/57/18/631495718.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495722 /nfs/dbraw/zinc/49/57/22/631495722.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP CN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C1CC1 ZINC000091846406 631544005 /nfs/dbraw/zinc/54/40/05/631544005.db2.gz DUPLIRXBLDMRGX-UHFFFAOYSA-N 2 1 239.363 0.809 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000934035449 631634842 /nfs/dbraw/zinc/63/48/42/631634842.db2.gz OSJKUHPAJQVXSG-VXGBXAGGSA-N 2 1 239.319 0.356 20 0 BCADMP C[C@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000308848048 631693514 /nfs/dbraw/zinc/69/35/14/631693514.db2.gz QDURPKQXPFLVPU-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000308848048 631693519 /nfs/dbraw/zinc/69/35/19/631693519.db2.gz QDURPKQXPFLVPU-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000892244200 631810462 /nfs/dbraw/zinc/81/04/62/631810462.db2.gz IBHKSCHRLZPSJK-LLVKDONJSA-N 2 1 240.351 0.071 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919351 632012415 /nfs/dbraw/zinc/01/24/15/632012415.db2.gz FWEJMTNQFMLRTG-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CC(OC)OC)C1 ZINC000161419204 632014610 /nfs/dbraw/zinc/01/46/10/632014610.db2.gz ZNIJRDBEBIQSGS-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(OC)OC)C1 ZINC000161419204 632014618 /nfs/dbraw/zinc/01/46/18/632014618.db2.gz ZNIJRDBEBIQSGS-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(OC)OC)C1 ZINC000161419204 632014624 /nfs/dbraw/zinc/01/46/24/632014624.db2.gz ZNIJRDBEBIQSGS-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(OC)OC)C1 ZINC000161419204 632014632 /nfs/dbraw/zinc/01/46/32/632014632.db2.gz ZNIJRDBEBIQSGS-LLVKDONJSA-N 2 1 230.352 0.879 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309371285 632025921 /nfs/dbraw/zinc/02/59/21/632025921.db2.gz CBBLSNWWNVXLKF-GRYCIOLGSA-N 3 1 211.353 0.785 20 0 BCADMP C[C@]1(CN)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309371285 632025932 /nfs/dbraw/zinc/02/59/32/632025932.db2.gz CBBLSNWWNVXLKF-GRYCIOLGSA-N 2 1 211.353 0.785 20 0 BCADMP C[C@]1(CN)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309371285 632025940 /nfs/dbraw/zinc/02/59/40/632025940.db2.gz CBBLSNWWNVXLKF-GRYCIOLGSA-N 2 1 211.353 0.785 20 0 BCADMP CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000308871925 632036747 /nfs/dbraw/zinc/03/67/47/632036747.db2.gz SOVNNGKIXRGCRD-MNOVXSKESA-N 2 1 218.341 0.048 20 0 BCADMP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308871927 632036889 /nfs/dbraw/zinc/03/68/89/632036889.db2.gz SOVNNGKIXRGCRD-WDEREUQCSA-N 2 1 218.341 0.048 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251523460 635704965 /nfs/dbraw/zinc/70/49/65/635704965.db2.gz AANNFPAGAOUKDM-NEPJUHHUSA-N 2 1 241.379 0.675 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251941069 635707523 /nfs/dbraw/zinc/70/75/23/635707523.db2.gz SMCCBDBBJSPTQV-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000309487249 632418519 /nfs/dbraw/zinc/41/85/19/632418519.db2.gz XHVSZPVDMMDNKO-AXFHLTTASA-N 2 1 225.336 0.454 20 0 BCADMP CCS(=O)(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626429 632589188 /nfs/dbraw/zinc/58/91/88/632589188.db2.gz PBPVJIVKPVEOHS-NSHDSACASA-N 2 1 248.392 0.482 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1O ZINC000310035217 632695852 /nfs/dbraw/zinc/69/58/52/632695852.db2.gz OJDIMDHSVAMBGI-AGIUHOORSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1O ZINC000310035217 632695855 /nfs/dbraw/zinc/69/58/55/632695855.db2.gz OJDIMDHSVAMBGI-AGIUHOORSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287374 632714313 /nfs/dbraw/zinc/71/43/13/632714313.db2.gz YCXUBYRMPXAIMJ-RYUDHWBXSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042201 632781212 /nfs/dbraw/zinc/78/12/12/632781212.db2.gz OVVPIPCPMPVDPX-VIFPVBQESA-N 2 1 212.341 0.851 20 0 BCADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc[nH]n1 ZINC000924994771 635832729 /nfs/dbraw/zinc/83/27/29/635832729.db2.gz YDIPTHHNAVLNSM-DHHPTOIESA-N 2 1 220.320 0.840 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc[nH]n1 ZINC000924994771 635832730 /nfs/dbraw/zinc/83/27/30/635832730.db2.gz YDIPTHHNAVLNSM-DHHPTOIESA-N 2 1 220.320 0.840 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000066244979 632860060 /nfs/dbraw/zinc/86/00/60/632860060.db2.gz HZSFGNOHIBUONF-JTQLQIEISA-N 2 1 228.340 0.021 20 0 BCADMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+](C)C ZINC000066245754 632860877 /nfs/dbraw/zinc/86/08/77/632860877.db2.gz OZIHSZJRWMEBFS-NXEZZACHSA-N 2 1 228.340 0.020 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066246561 632861083 /nfs/dbraw/zinc/86/10/83/632861083.db2.gz UGNPNSMINIPLQR-NSHDSACASA-N 2 1 242.367 0.410 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](CO)C2)CC1 ZINC000309363466 632972783 /nfs/dbraw/zinc/97/27/83/632972783.db2.gz MVLPRKXOOPKUOY-GFCCVEGCSA-N 2 1 228.336 0.021 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430268 635913200 /nfs/dbraw/zinc/91/32/00/635913200.db2.gz VNGARZGUWMLPED-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430268 635913204 /nfs/dbraw/zinc/91/32/04/635913204.db2.gz VNGARZGUWMLPED-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430268 635913209 /nfs/dbraw/zinc/91/32/09/635913209.db2.gz VNGARZGUWMLPED-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430268 635913213 /nfs/dbraw/zinc/91/32/13/635913213.db2.gz VNGARZGUWMLPED-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430272 635913692 /nfs/dbraw/zinc/91/36/92/635913692.db2.gz VNGARZGUWMLPED-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430272 635913694 /nfs/dbraw/zinc/91/36/94/635913694.db2.gz VNGARZGUWMLPED-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430272 635913696 /nfs/dbraw/zinc/91/36/96/635913696.db2.gz VNGARZGUWMLPED-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430272 635913700 /nfs/dbraw/zinc/91/37/00/635913700.db2.gz VNGARZGUWMLPED-OUAUKWLOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303327 633206375 /nfs/dbraw/zinc/20/63/75/633206375.db2.gz KQKFVCSHRANLGP-ZYHUDNBSSA-N 2 1 239.363 0.429 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310135447 636005606 /nfs/dbraw/zinc/00/56/06/636005606.db2.gz BJXDTNWMZGYWDA-VXGBXAGGSA-N 2 1 239.363 0.572 20 0 BCADMP Cn1c[nH+]cc1CC[N@@H+]1CCc2ncncc2C1 ZINC000880600253 635998391 /nfs/dbraw/zinc/99/83/91/635998391.db2.gz YLMLQTZELNJAGH-UHFFFAOYSA-N 2 1 243.314 0.811 20 0 BCADMP Cn1c[nH+]cc1CC[N@H+]1CCc2ncncc2C1 ZINC000880600253 635998395 /nfs/dbraw/zinc/99/83/95/635998395.db2.gz YLMLQTZELNJAGH-UHFFFAOYSA-N 2 1 243.314 0.811 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665282722 636103033 /nfs/dbraw/zinc/10/30/33/636103033.db2.gz AKWFMPXIGUEEQP-WUHRBBMRSA-N 3 1 243.395 0.702 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000928558210 636100223 /nfs/dbraw/zinc/10/02/23/636100223.db2.gz IVLMSSPSZYPIIZ-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CCOC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328411940 633763901 /nfs/dbraw/zinc/76/39/01/633763901.db2.gz GTXMNICKSRJUPJ-MCDVFOBDSA-N 2 1 224.348 0.997 20 0 BCADMP CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328443403 633766890 /nfs/dbraw/zinc/76/68/90/633766890.db2.gz NEQXYZRYTADJFD-KKJSVHSVSA-N 2 1 210.321 0.609 20 0 BCADMP C[NH+](C)CCCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328468593 633768178 /nfs/dbraw/zinc/76/81/78/633768178.db2.gz YMBMEPOQIZCRPQ-YHQUGGNUSA-N 2 1 237.391 0.914 20 0 BCADMP C1CC1[N@H+]1CC[C@@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328509067 633774227 /nfs/dbraw/zinc/77/42/27/633774227.db2.gz ZTOGLUPRUVEGTC-FYNNSYDNSA-N 2 1 247.386 0.809 20 0 BCADMP FC(F)COCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328511263 633776904 /nfs/dbraw/zinc/77/69/04/633776904.db2.gz BLBXFWKBYPNSAR-WPCZNGEBSA-N 2 1 246.301 0.854 20 0 BCADMP C1[NH2+][C@@H]2[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328556382 633777435 /nfs/dbraw/zinc/77/74/35/633777435.db2.gz AGRGWTDOZABGIC-NURVWSNCSA-N 2 1 222.332 0.751 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020028735 633805856 /nfs/dbraw/zinc/80/58/56/633805856.db2.gz IJLKCTACXNVWKE-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020028736 633806402 /nfs/dbraw/zinc/80/64/02/633806402.db2.gz IJLKCTACXNVWKE-GMTAPVOTSA-N 2 1 225.336 0.337 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925508350 633843637 /nfs/dbraw/zinc/84/36/37/633843637.db2.gz FVFNOLUCFZUQFM-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP CN(C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607173 634136138 /nfs/dbraw/zinc/13/61/38/634136138.db2.gz AGJFSFKJSVRZBM-SDDRHHMPSA-N 2 1 243.395 0.405 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCSCCCO ZINC000925607511 634138883 /nfs/dbraw/zinc/13/88/83/634138883.db2.gz CFPXEUAICPAMEG-SNVBAGLBSA-N 2 1 232.393 0.832 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925612073 634151252 /nfs/dbraw/zinc/15/12/52/634151252.db2.gz QETAPMQZFOZUCK-RYUDHWBXSA-N 2 1 242.363 0.648 20 0 BCADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925671648 634256482 /nfs/dbraw/zinc/25/64/82/634256482.db2.gz DYGKRKCGURYNHD-NKVKSULBSA-N 2 1 222.332 0.750 20 0 BCADMP C[N@@H+](CCCC[NH2+][C@H]1CNCCOC1)C1CC1 ZINC000925684024 634291835 /nfs/dbraw/zinc/29/18/35/634291835.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+](CCCCN[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684024 634291843 /nfs/dbraw/zinc/29/18/43/634291843.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@@H+](CCCCN[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684024 634291852 /nfs/dbraw/zinc/29/18/52/634291852.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1 ZINC000925685518 634299509 /nfs/dbraw/zinc/29/95/09/634299509.db2.gz KAKXXQVDCPJRJQ-WDMOLILDSA-N 2 1 247.342 0.801 20 0 BCADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000925685517 634299936 /nfs/dbraw/zinc/29/99/36/634299936.db2.gz KAKXXQVDCPJRJQ-MJVIPROJSA-N 2 1 247.342 0.801 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694334 634337882 /nfs/dbraw/zinc/33/78/82/634337882.db2.gz SZGFGKKZTBIOKH-NEPJUHHUSA-N 2 1 223.364 0.846 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925695199 634339124 /nfs/dbraw/zinc/33/91/24/634339124.db2.gz UHERTANBWWVNED-QQOHENMQSA-N 2 1 235.375 0.572 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696974 634356795 /nfs/dbraw/zinc/35/67/95/634356795.db2.gz CJQRZBXWKBEWPM-WHOHXGKFSA-N 3 1 225.380 0.947 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925696847 634358098 /nfs/dbraw/zinc/35/80/98/634358098.db2.gz BOFOGMPLUQXLGU-LLVKDONJSA-N 3 1 209.337 0.636 20 0 BCADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[NH2+]C1 ZINC000925698615 634364122 /nfs/dbraw/zinc/36/41/22/634364122.db2.gz LAAITPCJZCSTTL-MEBFFEOJSA-N 3 1 233.359 0.492 20 0 BCADMP CC1(C)[C@@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698727 634364665 /nfs/dbraw/zinc/36/46/65/634364665.db2.gz LXJSGDXUYJRVQL-UTLUCORTSA-N 2 1 247.333 0.947 20 0 BCADMP Cc1cc(N)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000893549353 635141526 /nfs/dbraw/zinc/14/15/26/635141526.db2.gz RELOXYGAIVALFH-AOOOYVTPSA-N 2 1 233.319 0.365 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925761975 635162188 /nfs/dbraw/zinc/16/21/88/635162188.db2.gz FHNMBXOHDFHQLQ-AXFHLTTASA-N 2 1 246.376 0.423 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925779035 635268282 /nfs/dbraw/zinc/26/82/82/635268282.db2.gz LHTIXFHRMLTICK-FVCCEPFGSA-N 2 1 241.379 0.613 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnccn1 ZINC000925791875 635320496 /nfs/dbraw/zinc/32/04/96/635320496.db2.gz SRCOPWKOPLDREU-MXWKQRLJSA-N 2 1 220.320 0.983 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000925792805 635325608 /nfs/dbraw/zinc/32/56/08/635325608.db2.gz WGTSYXUZYGCZGY-RHYQMDGZSA-N 2 1 211.353 0.382 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792805 635325618 /nfs/dbraw/zinc/32/56/18/635325618.db2.gz WGTSYXUZYGCZGY-RHYQMDGZSA-N 2 1 211.353 0.382 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000925796988 635335424 /nfs/dbraw/zinc/33/54/24/635335424.db2.gz SQOCUMWWAYAILN-LOWDOPEQSA-N 3 1 225.380 0.820 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814649 635378547 /nfs/dbraw/zinc/37/85/47/635378547.db2.gz NTNKOUUQTFERON-OUAUKWLOSA-N 2 1 221.304 0.822 20 0 BCADMP NC(=O)CC1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925824726 635416268 /nfs/dbraw/zinc/41/62/68/635416268.db2.gz VALAEMRZZGMUCR-ILDUYXDCSA-N 2 1 237.347 0.515 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304601938 635944744 /nfs/dbraw/zinc/94/47/44/635944744.db2.gz VKXYZYFXQPZLRK-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000990279623 636927203 /nfs/dbraw/zinc/92/72/03/636927203.db2.gz XVFDSROCCYHFON-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866702718 636932047 /nfs/dbraw/zinc/93/20/47/636932047.db2.gz AIOAKNGIXHYMDR-UPJWGTAASA-N 2 1 223.364 0.622 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)C[NH+](C)C ZINC000926957674 636970746 /nfs/dbraw/zinc/97/07/46/636970746.db2.gz BZKIVPKQCLFTKV-XQQFMLRXSA-N 2 1 244.379 0.968 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC000054602083 637035625 /nfs/dbraw/zinc/03/56/25/637035625.db2.gz FYMMYQNMGBAJLU-CLYYMRHHSA-N 2 1 237.347 0.609 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC000054602083 637035631 /nfs/dbraw/zinc/03/56/31/637035631.db2.gz FYMMYQNMGBAJLU-CLYYMRHHSA-N 2 1 237.347 0.609 20 0 BCADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000042308393 637169234 /nfs/dbraw/zinc/16/92/34/637169234.db2.gz QYVQIHARHSVCMZ-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCON)[C@H](C)C1 ZINC000902419716 637304084 /nfs/dbraw/zinc/30/40/84/637304084.db2.gz JSCIXWHMNKCZPG-GHMZBOCLSA-N 2 1 215.341 0.587 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1COCCO1 ZINC000903463464 637365011 /nfs/dbraw/zinc/36/50/11/637365011.db2.gz BTKQMIJBSZKJDB-WOPDTQHZSA-N 2 1 228.336 0.189 20 0 BCADMP c1cn(C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903463777 637365603 /nfs/dbraw/zinc/36/56/03/637365603.db2.gz MEGDPLCSVTZBDB-NWDGAFQWSA-N 2 1 235.335 0.352 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903463777 637365609 /nfs/dbraw/zinc/36/56/09/637365609.db2.gz MEGDPLCSVTZBDB-NWDGAFQWSA-N 2 1 235.335 0.352 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560023 637367345 /nfs/dbraw/zinc/36/73/45/637367345.db2.gz QTSIJILFFMMFGM-LLVKDONJSA-N 2 1 222.336 0.632 20 0 BCADMP Cn1nccc1[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903565711 637370447 /nfs/dbraw/zinc/37/04/47/637370447.db2.gz CNPIGRGEIDBJIU-LLVKDONJSA-N 2 1 208.309 0.906 20 0 BCADMP Cn1nccc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000903565711 637370452 /nfs/dbraw/zinc/37/04/52/637370452.db2.gz CNPIGRGEIDBJIU-LLVKDONJSA-N 2 1 208.309 0.906 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000903551319 637371611 /nfs/dbraw/zinc/37/16/11/637371611.db2.gz FHGVDZOGHXMAHV-GRYCIOLGSA-N 2 1 210.321 0.836 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722131 637380109 /nfs/dbraw/zinc/38/01/09/637380109.db2.gz HLJCYTUZOOVBPV-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722131 637380114 /nfs/dbraw/zinc/38/01/14/637380114.db2.gz HLJCYTUZOOVBPV-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000903722926 637380138 /nfs/dbraw/zinc/38/01/38/637380138.db2.gz QQFFHVIADWKXFK-QWHCGFSZSA-N 2 1 240.347 0.477 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000903788296 637381598 /nfs/dbraw/zinc/38/15/98/637381598.db2.gz HZMBWVSTBZGENA-SDDRHHMPSA-N 2 1 240.347 0.856 20 0 BCADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788057 637381753 /nfs/dbraw/zinc/38/17/53/637381753.db2.gz BDBPJMPMMRHNSQ-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP C([C@H]1CCCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788057 637381756 /nfs/dbraw/zinc/38/17/56/637381756.db2.gz BDBPJMPMMRHNSQ-MELADBBJSA-N 2 1 237.391 0.917 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903788583 637381775 /nfs/dbraw/zinc/38/17/75/637381775.db2.gz OHKJPCYZMRQVBR-GHMZBOCLSA-N 2 1 230.352 0.565 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903841377 637384827 /nfs/dbraw/zinc/38/48/27/637384827.db2.gz XBNWBKSPVAEGMG-QWRGUYRKSA-N 2 1 218.316 0.910 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903841376 637385194 /nfs/dbraw/zinc/38/51/94/637385194.db2.gz XBNWBKSPVAEGMG-MNOVXSKESA-N 2 1 218.316 0.910 20 0 BCADMP C[NH+](C)Cc1cnc(C[NH2+]CCCON)s1 ZINC000904458563 637421485 /nfs/dbraw/zinc/42/14/85/637421485.db2.gz ZFUMVQLTWXJOHC-UHFFFAOYSA-N 2 1 244.364 0.575 20 0 BCADMP O=C1C[C@]2([NH2+]CC34CC(C3)C[NH2+]4)CCCC[C@@H]2N1 ZINC000904472072 637424786 /nfs/dbraw/zinc/42/47/86/637424786.db2.gz GNAPIHVXFCKJRZ-SCBMYKTRSA-N 2 1 249.358 0.529 20 0 BCADMP C([NH2+][C@H]1COC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000904476277 637426049 /nfs/dbraw/zinc/42/60/49/637426049.db2.gz PGMJUJISPUVEAT-JPLDKTBPSA-N 2 1 222.332 0.753 20 0 BCADMP CC(C)[N@H+](C)Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000905058208 637594005 /nfs/dbraw/zinc/59/40/05/637594005.db2.gz FRELSPWYRJKERZ-LLVKDONJSA-N 2 1 223.324 0.653 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000905058208 637594014 /nfs/dbraw/zinc/59/40/14/637594014.db2.gz FRELSPWYRJKERZ-LLVKDONJSA-N 2 1 223.324 0.653 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132585 637643410 /nfs/dbraw/zinc/64/34/10/637643410.db2.gz BKGXLTLZPFUMND-IJLUTSLNSA-N 2 1 242.363 0.335 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905355628 637774673 /nfs/dbraw/zinc/77/46/73/637774673.db2.gz ZBAZRQUPVOWGRI-QWHCGFSZSA-N 2 1 238.331 0.198 20 0 BCADMP CCO[C@H](C[NH2+]C[C@@H](O)CC)C[NH+](C)C ZINC000905581074 637854006 /nfs/dbraw/zinc/85/40/06/637854006.db2.gz SHUJHMZDLCOTQS-WDEREUQCSA-N 2 1 218.341 0.314 20 0 BCADMP CCO[C@H](C[NH2+]C[C@H](O)CC)C[NH+](C)C ZINC000905581069 637854238 /nfs/dbraw/zinc/85/42/38/637854238.db2.gz SHUJHMZDLCOTQS-GHMZBOCLSA-N 2 1 218.341 0.314 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672112 637885352 /nfs/dbraw/zinc/88/53/52/637885352.db2.gz UPYPXQUMROWADC-XIVSLSHWSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672112 637885357 /nfs/dbraw/zinc/88/53/57/637885357.db2.gz UPYPXQUMROWADC-XIVSLSHWSA-N 2 1 242.363 0.192 20 0 BCADMP CC(C)[NH2+]Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000905801979 637934296 /nfs/dbraw/zinc/93/42/96/637934296.db2.gz PFICOQZBECAFBP-UHFFFAOYSA-N 2 1 246.318 0.802 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000907805951 638471318 /nfs/dbraw/zinc/47/13/18/638471318.db2.gz XQVFGDUFHSTAPM-TXEJJXNPSA-N 2 1 249.358 0.102 20 0 BCADMP C[NH+](C)CC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000908532904 639005171 /nfs/dbraw/zinc/00/51/71/639005171.db2.gz ILXCVAKXJITPIQ-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911622882 639685109 /nfs/dbraw/zinc/68/51/09/639685109.db2.gz JTDUHGLIESNYCD-RYUDHWBXSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911622883 639685758 /nfs/dbraw/zinc/68/57/58/639685758.db2.gz JTDUHGLIESNYCD-VXGBXAGGSA-N 2 1 239.363 0.809 20 0 BCADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[NH3+])CC2 ZINC000911648685 639705343 /nfs/dbraw/zinc/70/53/43/639705343.db2.gz UUFUVBZWWIHYDP-SNVBAGLBSA-N 2 1 236.319 0.219 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000911656199 639712759 /nfs/dbraw/zinc/71/27/59/639712759.db2.gz KVWSXAMRXHSPQZ-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)CCC1(C)C ZINC000712620395 711473958 /nfs/dbraw/zinc/47/39/58/711473958.db2.gz YWPSHPPKXCKYMV-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP Cc1sc(C[NH3+])nc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698163 639732491 /nfs/dbraw/zinc/73/24/91/639732491.db2.gz GMDMLRGBADGNCE-ZETCQYMHSA-N 2 1 240.332 0.002 20 0 BCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]([NH3+])C1)CC2 ZINC000911729824 639752358 /nfs/dbraw/zinc/75/23/58/639752358.db2.gz KBXUTAWWLFCHHZ-MNOVXSKESA-N 2 1 248.330 0.314 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911751265 639777496 /nfs/dbraw/zinc/77/74/96/639777496.db2.gz VDDBFAKJFODQNE-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+]CCNC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000911750666 639777991 /nfs/dbraw/zinc/77/79/91/639777991.db2.gz OBZBOYAOLLCUAV-SSDOTTSWSA-N 2 1 242.348 0.502 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750980 639778152 /nfs/dbraw/zinc/77/81/52/639778152.db2.gz HJUDXEBLCVRYIG-NWDGAFQWSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+]Cc1ncc(C(=O)NCC[NH2+]C2CC2)s1 ZINC000911753136 639782208 /nfs/dbraw/zinc/78/22/08/639782208.db2.gz ZHIRANOKGRJXHV-UHFFFAOYSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911814893 639803517 /nfs/dbraw/zinc/80/35/17/639803517.db2.gz VWEOWINTGSZOPM-GHMZBOCLSA-N 2 1 227.352 0.665 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786355 639804428 /nfs/dbraw/zinc/80/44/28/639804428.db2.gz AIFZQRGEVSZBDF-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930600738 639816964 /nfs/dbraw/zinc/81/69/64/639816964.db2.gz AOXFBZVVUUFICA-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930600738 639816965 /nfs/dbraw/zinc/81/69/65/639816965.db2.gz AOXFBZVVUUFICA-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930600738 639816966 /nfs/dbraw/zinc/81/69/66/639816966.db2.gz AOXFBZVVUUFICA-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813174 639836206 /nfs/dbraw/zinc/83/62/06/639836206.db2.gz WJQOQEGAFHMCRX-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000911826180 639837634 /nfs/dbraw/zinc/83/76/34/639837634.db2.gz LTMWSCVYIFPMDI-GXSJLCMTSA-N 2 1 238.335 0.688 20 0 BCADMP CC[C@@H](CO)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902973 639980279 /nfs/dbraw/zinc/98/02/79/639980279.db2.gz FIDRRUVVNBLLFZ-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](CO)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902973 639980283 /nfs/dbraw/zinc/98/02/83/639980283.db2.gz FIDRRUVVNBLLFZ-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H]1[C@@H]([NH+](C)C)CCN1CCc1c[nH+]cn1C ZINC000931036139 640030936 /nfs/dbraw/zinc/03/09/36/640030936.db2.gz CEUHXCNMUGVTBF-AAEUAGOBSA-N 2 1 236.363 0.987 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275844 640122687 /nfs/dbraw/zinc/12/26/87/640122687.db2.gz ANOGPKDPPRYFBG-ODXJTPSBSA-N 2 1 236.359 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275844 640122696 /nfs/dbraw/zinc/12/26/96/640122696.db2.gz ANOGPKDPPRYFBG-ODXJTPSBSA-N 2 1 236.359 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC000931275840 640122897 /nfs/dbraw/zinc/12/28/97/640122897.db2.gz ANOGPKDPPRYFBG-DGTMBMJNSA-N 2 1 236.359 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC000931275840 640122904 /nfs/dbraw/zinc/12/29/04/640122904.db2.gz ANOGPKDPPRYFBG-DGTMBMJNSA-N 2 1 236.359 0.905 20 0 BCADMP COC[C@@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312497 640147882 /nfs/dbraw/zinc/14/78/82/640147882.db2.gz TUOWLQSKFWRSDS-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931428061 640197302 /nfs/dbraw/zinc/19/73/02/640197302.db2.gz VRPFEAGVYBWSIK-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931428061 640197306 /nfs/dbraw/zinc/19/73/06/640197306.db2.gz VRPFEAGVYBWSIK-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931428061 640197312 /nfs/dbraw/zinc/19/73/12/640197312.db2.gz VRPFEAGVYBWSIK-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931428061 640197318 /nfs/dbraw/zinc/19/73/18/640197318.db2.gz VRPFEAGVYBWSIK-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP CCOCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431834 640198999 /nfs/dbraw/zinc/19/89/99/640198999.db2.gz QIUDSDZTDNQEPR-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CCOCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431834 640199006 /nfs/dbraw/zinc/19/90/06/640199006.db2.gz QIUDSDZTDNQEPR-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431834 640199013 /nfs/dbraw/zinc/19/90/13/640199013.db2.gz QIUDSDZTDNQEPR-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP Cn1cncc1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435408 640202116 /nfs/dbraw/zinc/20/21/16/640202116.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cncc1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931435408 640202120 /nfs/dbraw/zinc/20/21/20/640202120.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cncc1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931435408 640202123 /nfs/dbraw/zinc/20/21/23/640202123.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432932 640202158 /nfs/dbraw/zinc/20/21/58/640202158.db2.gz KFBLDLDLDQWVSL-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CN(C)C(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432932 640202163 /nfs/dbraw/zinc/20/21/63/640202163.db2.gz KFBLDLDLDQWVSL-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CN(C)C(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432932 640202169 /nfs/dbraw/zinc/20/21/69/640202169.db2.gz KFBLDLDLDQWVSL-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CC[C@@H](CO)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441448 640205469 /nfs/dbraw/zinc/20/54/69/640205469.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](CO)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441448 640205475 /nfs/dbraw/zinc/20/54/75/640205475.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](CO)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441448 640205483 /nfs/dbraw/zinc/20/54/83/640205483.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442282 640206191 /nfs/dbraw/zinc/20/61/91/640206191.db2.gz BAFSRRNTQUXNKY-NWDGAFQWSA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442282 640206198 /nfs/dbraw/zinc/20/61/98/640206198.db2.gz BAFSRRNTQUXNKY-NWDGAFQWSA-N 2 1 242.363 0.531 20 0 BCADMP COCC(COC)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442282 640206204 /nfs/dbraw/zinc/20/62/04/640206204.db2.gz BAFSRRNTQUXNKY-NWDGAFQWSA-N 2 1 242.363 0.531 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207064 /nfs/dbraw/zinc/20/70/64/640207064.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207068 /nfs/dbraw/zinc/20/70/68/640207068.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207070 /nfs/dbraw/zinc/20/70/70/640207070.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 2 1 248.317 0.886 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CCn2cc[nH+]c21)C1CC1 ZINC000931520754 640253530 /nfs/dbraw/zinc/25/35/30/640253530.db2.gz RMUXKCBGTBCUQB-LLVKDONJSA-N 2 1 236.319 0.158 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCn2cc[nH+]c21)C1CC1 ZINC000931520754 640253536 /nfs/dbraw/zinc/25/35/36/640253536.db2.gz RMUXKCBGTBCUQB-LLVKDONJSA-N 2 1 236.319 0.158 20 0 BCADMP C[NH+](C)CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913290536 640350305 /nfs/dbraw/zinc/35/03/05/640350305.db2.gz YPPLFCMAPKRGSU-BETUJISGSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000036192253 640401079 /nfs/dbraw/zinc/40/10/79/640401079.db2.gz JKBNOCBCFMMYCB-JTQLQIEISA-N 2 1 243.376 0.202 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726828 640463032 /nfs/dbraw/zinc/46/30/32/640463032.db2.gz IEFITJFYOJKWMI-BDAKNGLRSA-N 2 1 211.309 0.077 20 0 BCADMP CC[NH+](CCC(N)=O)CC[C@@H]1CCC[N@H+]1C ZINC000932478697 640544482 /nfs/dbraw/zinc/54/44/82/640544482.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CC[N@H+](CCCn1cc[nH+]c1C)CCC(N)=O ZINC000932478673 640544334 /nfs/dbraw/zinc/54/43/34/640544334.db2.gz JDUJWSWLVWOUNX-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCC(N)=O ZINC000932478673 640544340 /nfs/dbraw/zinc/54/43/40/640544340.db2.gz JDUJWSWLVWOUNX-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@@H]1CCC[NH+]1C ZINC000932478697 640544459 /nfs/dbraw/zinc/54/44/59/640544459.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CC[NH+](CCC(N)=O)CC[C@@H]1CCC[N@@H+]1C ZINC000932478697 640544470 /nfs/dbraw/zinc/54/44/70/640544470.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP COC[C@H]1COCC[N@@H+]1CCCn1ccnc1 ZINC000933336157 640706792 /nfs/dbraw/zinc/70/67/92/640706792.db2.gz QZBURUXKJFNRKJ-LBPRGKRZSA-N 2 1 239.319 0.620 20 0 BCADMP COC[C@H]1COCC[N@H+]1CCCn1ccnc1 ZINC000933336157 640706795 /nfs/dbraw/zinc/70/67/95/640706795.db2.gz QZBURUXKJFNRKJ-LBPRGKRZSA-N 2 1 239.319 0.620 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167517017 640724766 /nfs/dbraw/zinc/72/47/66/640724766.db2.gz IUXYTMNLPSZOGO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399500 640759782 /nfs/dbraw/zinc/75/97/82/640759782.db2.gz JMOQNJYSCPWOTJ-RKDXNWHRSA-N 2 1 213.325 0.323 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343855 640750624 /nfs/dbraw/zinc/75/06/24/640750624.db2.gz MFYUODVFSYXRPL-UTUOFQBUSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343855 640750629 /nfs/dbraw/zinc/75/06/29/640750629.db2.gz MFYUODVFSYXRPL-UTUOFQBUSA-N 2 1 230.352 0.443 20 0 BCADMP CNC(=O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735009 640759254 /nfs/dbraw/zinc/75/92/54/640759254.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735009 640759257 /nfs/dbraw/zinc/75/92/57/640759257.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735009 640759263 /nfs/dbraw/zinc/75/92/63/640759263.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CC[C@H](CO)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734187 640760679 /nfs/dbraw/zinc/76/06/79/640760679.db2.gz NNWKOOMZSFPOJU-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](CO)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734187 640760682 /nfs/dbraw/zinc/76/06/82/640760682.db2.gz NNWKOOMZSFPOJU-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](CO)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734187 640760688 /nfs/dbraw/zinc/76/06/88/640760688.db2.gz NNWKOOMZSFPOJU-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](CO)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734187 640760693 /nfs/dbraw/zinc/76/06/93/640760693.db2.gz NNWKOOMZSFPOJU-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000167930073 640766206 /nfs/dbraw/zinc/76/62/06/640766206.db2.gz KMDITWDBOPCEMW-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP C[N@H+]1CCN(C[C@H]2CCC[NH2+]2)CC1(C)C ZINC000227649609 640844213 /nfs/dbraw/zinc/84/42/13/640844213.db2.gz YYXILKXXTQBKJF-LLVKDONJSA-N 2 1 211.353 0.764 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089527 640921692 /nfs/dbraw/zinc/92/16/92/640921692.db2.gz QWDSVOLEDVTJHF-VWYCJHECSA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)[N@H+](C)CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000229204282 640932933 /nfs/dbraw/zinc/93/29/33/640932933.db2.gz BDTXXNBFRRMVKL-OLZOCXBDSA-N 2 1 243.395 0.683 20 0 BCADMP COCC[NH+](CCOC)C[C@]1(C)CCC[NH2+]C1 ZINC000062862408 641101127 /nfs/dbraw/zinc/10/11/27/641101127.db2.gz LYPHRZFFWFIRGJ-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000230900137 641116616 /nfs/dbraw/zinc/11/66/16/641116616.db2.gz JRVHZMXMGPGXKK-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000088050416 641279095 /nfs/dbraw/zinc/27/90/95/641279095.db2.gz OTZRIGPOZZTUJM-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000913635876 641437730 /nfs/dbraw/zinc/43/77/30/641437730.db2.gz RCZVLICBKPJBNY-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC12CC[NH+](CC1)C2 ZINC000913636750 641438922 /nfs/dbraw/zinc/43/89/22/641438922.db2.gz SOHIFDIBAWWMNF-UHFFFAOYSA-N 2 1 234.303 0.156 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000040715729 641534965 /nfs/dbraw/zinc/53/49/65/641534965.db2.gz BGUDHRSWGHCJFX-CYBMUJFWSA-N 2 1 247.342 0.969 20 0 BCADMP Cn1cnc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000313252780 641544613 /nfs/dbraw/zinc/54/46/13/641544613.db2.gz OCTQOCXJPMHSKD-KYYPQDQFSA-N 2 1 246.358 0.549 20 0 BCADMP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[N@H+]1C ZINC000158967831 641659284 /nfs/dbraw/zinc/65/92/84/641659284.db2.gz XSBIPDHHDJXQSB-VHSXEESVSA-N 2 1 248.330 0.876 20 0 BCADMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000925408551 641666903 /nfs/dbraw/zinc/66/69/03/641666903.db2.gz QATZVGXGWFNWAX-GHMZBOCLSA-N 2 1 240.351 0.036 20 0 BCADMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000925408553 641668031 /nfs/dbraw/zinc/66/80/31/641668031.db2.gz QATZVGXGWFNWAX-MNOVXSKESA-N 2 1 240.351 0.036 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445600 641709988 /nfs/dbraw/zinc/70/99/88/641709988.db2.gz VCZMRQYFJHBRPW-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445600 641709993 /nfs/dbraw/zinc/70/99/93/641709993.db2.gz VCZMRQYFJHBRPW-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848472 641763300 /nfs/dbraw/zinc/76/33/00/641763300.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848472 641763308 /nfs/dbraw/zinc/76/33/08/641763308.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848472 641763312 /nfs/dbraw/zinc/76/33/12/641763312.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000915153323 641805945 /nfs/dbraw/zinc/80/59/45/641805945.db2.gz NMUSAOKXYWPHKY-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000322816095 641864971 /nfs/dbraw/zinc/86/49/71/641864971.db2.gz VNOGQPULZJUSJJ-OPPOILRSSA-N 2 1 237.347 0.097 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925433150 642001573 /nfs/dbraw/zinc/00/15/73/642001573.db2.gz WOIVUTNSUOJIFV-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717704 642021236 /nfs/dbraw/zinc/02/12/36/642021236.db2.gz AALHSEFIKWTECB-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031390791 642059762 /nfs/dbraw/zinc/05/97/62/642059762.db2.gz TYSAIYYNPLWVPJ-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@@H+](C[C@H](O)COC)C1CC[NH2+]CC1 ZINC000068892316 642383189 /nfs/dbraw/zinc/38/31/89/642383189.db2.gz QGDIXQJASDTVTE-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000069274310 642392962 /nfs/dbraw/zinc/39/29/62/642392962.db2.gz HIAPYOKMGMUHPW-IJLUTSLNSA-N 2 1 230.352 0.586 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000069274310 642392970 /nfs/dbraw/zinc/39/29/70/642392970.db2.gz HIAPYOKMGMUHPW-IJLUTSLNSA-N 2 1 230.352 0.586 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000891403536 642484021 /nfs/dbraw/zinc/48/40/21/642484021.db2.gz SFVKWVMZGDKEIH-MXWKQRLJSA-N 2 1 240.351 0.212 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891403429 642484910 /nfs/dbraw/zinc/48/49/10/642484910.db2.gz PVHWVUPVUWNLOF-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000237544664 642714443 /nfs/dbraw/zinc/71/44/43/642714443.db2.gz RNKKVHDONLNUJY-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000305963640 642714704 /nfs/dbraw/zinc/71/47/04/642714704.db2.gz XICSLKMQTLZEKY-ODWCKFRGSA-N 2 1 242.363 0.599 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001016260368 642952648 /nfs/dbraw/zinc/95/26/48/642952648.db2.gz OXPNJODQNKBRQQ-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260368 642952659 /nfs/dbraw/zinc/95/26/59/642952659.db2.gz OXPNJODQNKBRQQ-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260368 642952666 /nfs/dbraw/zinc/95/26/66/642952666.db2.gz OXPNJODQNKBRQQ-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001016260367 642954510 /nfs/dbraw/zinc/95/45/10/642954510.db2.gz OXPNJODQNKBRQQ-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260367 642954516 /nfs/dbraw/zinc/95/45/16/642954516.db2.gz OXPNJODQNKBRQQ-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260367 642954523 /nfs/dbraw/zinc/95/45/23/642954523.db2.gz OXPNJODQNKBRQQ-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018617438 643003951 /nfs/dbraw/zinc/00/39/51/643003951.db2.gz VCQBMNOFVGHHSZ-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001019153839 643020614 /nfs/dbraw/zinc/02/06/14/643020614.db2.gz MKWLQRACQLVTEN-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020302825 643066446 /nfs/dbraw/zinc/06/64/46/643066446.db2.gz UJNMXMARYCDPEM-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304542803 643124757 /nfs/dbraw/zinc/12/47/57/643124757.db2.gz KZLVCWSFXTXSHW-QWRGUYRKSA-N 2 1 224.352 0.654 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000068953518 643437296 /nfs/dbraw/zinc/43/72/96/643437296.db2.gz CISVCRYDICWQSD-GHMZBOCLSA-N 2 1 216.325 0.055 20 0 BCADMP [NH3+]CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000069730076 643449728 /nfs/dbraw/zinc/44/97/28/643449728.db2.gz UXOUYKKBXHQDDC-SNVBAGLBSA-N 2 1 212.293 0.363 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000084218077 643649596 /nfs/dbraw/zinc/64/95/96/643649596.db2.gz YIEVQYXCWAHUKY-RYUDHWBXSA-N 2 1 211.353 0.799 20 0 BCADMP CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC000922160362 643880377 /nfs/dbraw/zinc/88/03/77/643880377.db2.gz WADZCKCGCFLLJB-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC000922160362 643880383 /nfs/dbraw/zinc/88/03/83/643880383.db2.gz WADZCKCGCFLLJB-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086855513 644192553 /nfs/dbraw/zinc/19/25/53/644192553.db2.gz ABJWEYKECZBROT-ZJUUUORDSA-N 2 1 234.365 0.090 20 0 BCADMP OC[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000923004480 644227924 /nfs/dbraw/zinc/22/79/24/644227924.db2.gz FDZIICJRLYUAJT-ZDEQEGDKSA-N 2 1 224.348 0.974 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279168 644312553 /nfs/dbraw/zinc/31/25/53/644312553.db2.gz GWWNIUQPNKRFBA-GMTAPVOTSA-N 2 1 232.393 0.912 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283697 644309382 /nfs/dbraw/zinc/30/93/82/644309382.db2.gz XKACMPQSBHTVMB-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277106 644309912 /nfs/dbraw/zinc/30/99/12/644309912.db2.gz JIVQJBZUAVBKOK-LLVKDONJSA-N 2 1 216.325 0.069 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277106 644309916 /nfs/dbraw/zinc/30/99/16/644309916.db2.gz JIVQJBZUAVBKOK-LLVKDONJSA-N 2 1 216.325 0.069 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279168 644312551 /nfs/dbraw/zinc/31/25/51/644312551.db2.gz GWWNIUQPNKRFBA-GMTAPVOTSA-N 2 1 232.393 0.912 20 0 BCADMP CCOCCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923280148 644312669 /nfs/dbraw/zinc/31/26/69/644312669.db2.gz GZVCSQIAVJJWFE-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282518 644318083 /nfs/dbraw/zinc/31/80/83/644318083.db2.gz VIHRAFXXOPFGHY-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293116 644329776 /nfs/dbraw/zinc/32/97/76/644329776.db2.gz NLYJYAOCFASQNV-VXGBXAGGSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293116 644329782 /nfs/dbraw/zinc/32/97/82/644329782.db2.gz NLYJYAOCFASQNV-VXGBXAGGSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923291780 644330725 /nfs/dbraw/zinc/33/07/25/644330725.db2.gz UNJVEXFUSWMCFW-YNEHKIRRSA-N 2 1 244.379 0.689 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294427 644332966 /nfs/dbraw/zinc/33/29/66/644332966.db2.gz LNWKIUCOJLFOBU-LLVKDONJSA-N 3 1 241.379 0.282 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923295364 644333141 /nfs/dbraw/zinc/33/31/41/644333141.db2.gz YWWBMPALEMOPCD-LBPRGKRZSA-N 2 1 246.395 0.937 20 0 BCADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307624 644337364 /nfs/dbraw/zinc/33/73/64/644337364.db2.gz YRALWCZMKQMNME-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312100 644339874 /nfs/dbraw/zinc/33/98/74/644339874.db2.gz ARGDSRVZAVAHJK-RYUDHWBXSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312372 644341646 /nfs/dbraw/zinc/34/16/46/644341646.db2.gz HNTRFGVFTRKGMI-MNOVXSKESA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)CO1 ZINC000923304011 644342002 /nfs/dbraw/zinc/34/20/02/644342002.db2.gz AZKYHCPHSSMWDR-QJPTWQEYSA-N 2 1 240.347 0.474 20 0 BCADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315291 644342990 /nfs/dbraw/zinc/34/29/90/644342990.db2.gz FWHFWNPRZMMCTG-MNOVXSKESA-N 2 1 242.388 0.802 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923316297 644344430 /nfs/dbraw/zinc/34/44/30/644344430.db2.gz NSTDFXACNUDWIK-LLVKDONJSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)S1 ZINC000923309254 644345685 /nfs/dbraw/zinc/34/56/85/644345685.db2.gz OPHUHLKFLCJSOE-SSRBZLIGSA-N 2 1 230.377 0.663 20 0 BCADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923311241 644345979 /nfs/dbraw/zinc/34/59/79/644345979.db2.gz JELRAUQQJFGYMP-XKNYDFJKSA-N 2 1 216.350 0.274 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(C)(C)O1 ZINC000923309442 644346384 /nfs/dbraw/zinc/34/63/84/644346384.db2.gz VWMZINGGUCNAGR-RCWTZXSCSA-N 2 1 228.336 0.336 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(C)(C)O1 ZINC000923309442 644346388 /nfs/dbraw/zinc/34/63/88/644346388.db2.gz VWMZINGGUCNAGR-RCWTZXSCSA-N 2 1 228.336 0.336 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923309686 644346696 /nfs/dbraw/zinc/34/66/96/644346696.db2.gz YWDHDNGNBVJXDR-SVNGYHJRSA-N 2 1 228.336 0.336 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923309686 644346697 /nfs/dbraw/zinc/34/66/97/644346697.db2.gz YWDHDNGNBVJXDR-SVNGYHJRSA-N 2 1 228.336 0.336 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330357 644348418 /nfs/dbraw/zinc/34/84/18/644348418.db2.gz CSKWZPSFUATFIK-TUAOUCFPSA-N 3 1 239.363 0.034 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923330423 644350526 /nfs/dbraw/zinc/35/05/26/644350526.db2.gz FDGUIVMZLUIRRA-NWDGAFQWSA-N 2 1 230.352 0.709 20 0 BCADMP CCn1cc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cn1 ZINC000923325265 644351230 /nfs/dbraw/zinc/35/12/30/644351230.db2.gz SLEASCOIWVERAI-SRVKXCTJSA-N 2 1 238.335 0.185 20 0 BCADMP CCn1cc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cn1 ZINC000923325265 644351234 /nfs/dbraw/zinc/35/12/34/644351234.db2.gz SLEASCOIWVERAI-SRVKXCTJSA-N 2 1 238.335 0.185 20 0 BCADMP C[N@@H+](Cc1cnccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923321575 644352253 /nfs/dbraw/zinc/35/22/53/644352253.db2.gz FDTMYSUYHIKIQQ-LBPRGKRZSA-N 2 1 248.330 0.287 20 0 BCADMP C[N@H+](Cc1cnccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923321575 644352258 /nfs/dbraw/zinc/35/22/58/644352258.db2.gz FDTMYSUYHIKIQQ-LBPRGKRZSA-N 2 1 248.330 0.287 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923332465 644355219 /nfs/dbraw/zinc/35/52/19/644355219.db2.gz QFRZHEICDZIKAY-QWRGUYRKSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923332465 644355229 /nfs/dbraw/zinc/35/52/29/644355229.db2.gz QFRZHEICDZIKAY-QWRGUYRKSA-N 3 1 211.353 0.798 20 0 BCADMP NCC[N@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923333217 644355527 /nfs/dbraw/zinc/35/55/27/644355527.db2.gz ZNZLOJGAYSAUPJ-YHWZYXNKSA-N 2 1 241.379 0.160 20 0 BCADMP NCC[N@@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923333217 644355532 /nfs/dbraw/zinc/35/55/32/644355532.db2.gz ZNZLOJGAYSAUPJ-YHWZYXNKSA-N 3 1 241.379 0.160 20 0 BCADMP CC[N@@H+](C[C@@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336548 644356280 /nfs/dbraw/zinc/35/62/80/644356280.db2.gz UPAGZVHYKBUJSU-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336169 644357434 /nfs/dbraw/zinc/35/74/34/644357434.db2.gz QXUKSJMTTMFRKX-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344320 644364746 /nfs/dbraw/zinc/36/47/46/644364746.db2.gz GHMBKYPGYNUVCM-OUAUKWLOSA-N 2 1 232.393 0.770 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923357679 644366387 /nfs/dbraw/zinc/36/63/87/644366387.db2.gz ZWCSCAWZYUGUBM-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355102 644371476 /nfs/dbraw/zinc/37/14/76/644371476.db2.gz GSSSWCWRQOEIQZ-UWVGGRQHSA-N 2 1 218.366 0.381 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355101 644372328 /nfs/dbraw/zinc/37/23/28/644372328.db2.gz GSSSWCWRQOEIQZ-NXEZZACHSA-N 2 1 218.366 0.381 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923363313 644375287 /nfs/dbraw/zinc/37/52/87/644375287.db2.gz RNSCQGMWABEBLD-VQXHTEKXSA-N 2 1 216.325 0.195 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363731 644376492 /nfs/dbraw/zinc/37/64/92/644376492.db2.gz DRUPOWOEFBIWQD-QJPTWQEYSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923366405 644379493 /nfs/dbraw/zinc/37/94/93/644379493.db2.gz MFXVGRIMTNHEHI-VXGBXAGGSA-N 2 1 242.294 0.111 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923366405 644379497 /nfs/dbraw/zinc/37/94/97/644379497.db2.gz MFXVGRIMTNHEHI-VXGBXAGGSA-N 2 1 242.294 0.111 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000923368234 644380481 /nfs/dbraw/zinc/38/04/81/644380481.db2.gz OJPXCKFOICBMPK-GHMZBOCLSA-N 2 1 230.352 0.755 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923369235 644381071 /nfs/dbraw/zinc/38/10/71/644381071.db2.gz IXZDQIISLITWSI-LNFKQOIKSA-N 2 1 232.393 0.686 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923371092 644383284 /nfs/dbraw/zinc/38/32/84/644383284.db2.gz VOHVFYHTCVEVRS-FDYHWXHSSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923371188 644383644 /nfs/dbraw/zinc/38/36/44/644383644.db2.gz VOHVFYHTCVEVRS-NDBYEHHHSA-N 2 1 242.363 0.768 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359553 644384735 /nfs/dbraw/zinc/38/47/35/644384735.db2.gz RPHPZVUSJACNKG-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923370730 644384817 /nfs/dbraw/zinc/38/48/17/644384817.db2.gz QPNPAMYVJQNIDG-QNWHQSFQSA-N 2 1 244.379 0.750 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359273 644384845 /nfs/dbraw/zinc/38/48/45/644384845.db2.gz PJMLIZKBZDRAJH-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359273 644384849 /nfs/dbraw/zinc/38/48/49/644384849.db2.gz PJMLIZKBZDRAJH-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362597 644386808 /nfs/dbraw/zinc/38/68/08/644386808.db2.gz PGRPNCQLTGEQDZ-AVGNSLFASA-N 2 1 242.363 0.315 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923361622 644387237 /nfs/dbraw/zinc/38/72/37/644387237.db2.gz HUJMYQPDRGPKHZ-GFCCVEGCSA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923361622 644387241 /nfs/dbraw/zinc/38/72/41/644387241.db2.gz HUJMYQPDRGPKHZ-GFCCVEGCSA-N 2 1 244.379 0.976 20 0 BCADMP C[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923373964 644389606 /nfs/dbraw/zinc/38/96/06/644389606.db2.gz QXANNCNFCXAUGS-GXSJLCMTSA-N 2 1 200.326 0.864 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCOCC3(CCC3)C2)C1 ZINC000923376645 644391254 /nfs/dbraw/zinc/39/12/54/644391254.db2.gz MRDLCWARBULKQC-SRVKXCTJSA-N 2 1 240.347 0.340 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923383309 644394877 /nfs/dbraw/zinc/39/48/77/644394877.db2.gz YUJVNMIYLYSINW-QJPTWQEYSA-N 2 1 239.363 0.224 20 0 BCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCO)C1 ZINC000923389928 644396524 /nfs/dbraw/zinc/39/65/24/644396524.db2.gz AGBXOXRNBVBGAS-WOPDTQHZSA-N 2 1 228.336 0.340 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391891 644398286 /nfs/dbraw/zinc/39/82/86/644398286.db2.gz GHGPJMXBKYQURE-WOPDTQHZSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391891 644398289 /nfs/dbraw/zinc/39/82/89/644398289.db2.gz GHGPJMXBKYQURE-WOPDTQHZSA-N 2 1 239.363 0.177 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H](O)CSC)C[C@H]1C[NH3+] ZINC000923387457 644400426 /nfs/dbraw/zinc/40/04/26/644400426.db2.gz OJFZPLNUQHPXTK-GMTAPVOTSA-N 2 1 248.392 0.006 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399439 644404809 /nfs/dbraw/zinc/40/48/09/644404809.db2.gz RXGHVZNCLMETBR-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399439 644404811 /nfs/dbraw/zinc/40/48/11/644404811.db2.gz RXGHVZNCLMETBR-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398056 644405174 /nfs/dbraw/zinc/40/51/74/644405174.db2.gz JPMGSPJFBZUXKD-UPJWGTAASA-N 2 1 242.363 0.586 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398056 644405177 /nfs/dbraw/zinc/40/51/77/644405177.db2.gz JPMGSPJFBZUXKD-UPJWGTAASA-N 2 1 242.363 0.586 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401907 644406618 /nfs/dbraw/zinc/40/66/18/644406618.db2.gz ACVZNBCQJURUEG-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401905 644407625 /nfs/dbraw/zinc/40/76/25/644407625.db2.gz ACVZNBCQJURUEG-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923410476 644410340 /nfs/dbraw/zinc/41/03/40/644410340.db2.gz IEQCQAPSAVTTJE-UPJWGTAASA-N 2 1 244.379 0.689 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](NCCO)C2)C1 ZINC000923408276 644410859 /nfs/dbraw/zinc/41/08/59/644410859.db2.gz FMZPBFWMBXCGBH-YNEHKIRRSA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](NCCO)C2)C1 ZINC000923408276 644410863 /nfs/dbraw/zinc/41/08/63/644410863.db2.gz FMZPBFWMBXCGBH-YNEHKIRRSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412620 644413838 /nfs/dbraw/zinc/41/38/38/644413838.db2.gz RTAIFHMDNLIRED-WDEREUQCSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412620 644413840 /nfs/dbraw/zinc/41/38/40/644413840.db2.gz RTAIFHMDNLIRED-WDEREUQCSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412617 644414276 /nfs/dbraw/zinc/41/42/76/644414276.db2.gz RTAIFHMDNLIRED-MNOVXSKESA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412617 644414279 /nfs/dbraw/zinc/41/42/79/644414279.db2.gz RTAIFHMDNLIRED-MNOVXSKESA-N 3 1 211.353 0.655 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412645 644415221 /nfs/dbraw/zinc/41/52/21/644415221.db2.gz RYRJGHWVBNMZKV-QWHCGFSZSA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412645 644415214 /nfs/dbraw/zinc/41/52/14/644415214.db2.gz RYRJGHWVBNMZKV-QWHCGFSZSA-N 2 1 244.379 0.977 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923413854 644416962 /nfs/dbraw/zinc/41/69/62/644416962.db2.gz IVUVMCWTZRPTIK-JTQLQIEISA-N 2 1 232.393 0.784 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923414040 644417071 /nfs/dbraw/zinc/41/70/71/644417071.db2.gz YYTWHWKJODGYAI-UTUOFQBUSA-N 2 1 230.352 0.301 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000923413357 644417340 /nfs/dbraw/zinc/41/73/40/644417340.db2.gz FLZUREKSSDQJJN-GCHJQGSQSA-N 2 1 242.388 0.522 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000923426081 644420312 /nfs/dbraw/zinc/42/03/12/644420312.db2.gz CDHRQXUALQBEFV-VLJOUNFMSA-N 2 1 240.347 0.338 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429274 644422295 /nfs/dbraw/zinc/42/22/95/644422295.db2.gz YJQADAQGUOYFTQ-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923429649 644422492 /nfs/dbraw/zinc/42/24/92/644422492.db2.gz ZTTZMHWAZGBGGW-MNOVXSKESA-N 2 1 244.404 0.975 20 0 BCADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1noc(C[NH3+])n1 ZINC000923436854 644428971 /nfs/dbraw/zinc/42/89/71/644428971.db2.gz QHISKRRPJIVLEI-CIUDSAMLSA-N 2 1 239.323 0.099 20 0 BCADMP C[NH2+]CCCN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451988 644441907 /nfs/dbraw/zinc/44/19/07/644441907.db2.gz RPQUPDZVFIASNW-GFCCVEGCSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975904 644453361 /nfs/dbraw/zinc/45/33/61/644453361.db2.gz PMPXRURBOLOECU-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000923478375 644455481 /nfs/dbraw/zinc/45/54/81/644455481.db2.gz BCLHWBQBPMTZTI-VWYCJHECSA-N 2 1 215.316 0.357 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000923478375 644455487 /nfs/dbraw/zinc/45/54/87/644455487.db2.gz BCLHWBQBPMTZTI-VWYCJHECSA-N 2 1 215.316 0.357 20 0 BCADMP N[C@@]1(CO)CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923472791 644455778 /nfs/dbraw/zinc/45/57/78/644455778.db2.gz NCRHLMRISZKWKX-ZDUSSCGKSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@@]1(CO)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923472791 644455781 /nfs/dbraw/zinc/45/57/81/644455781.db2.gz NCRHLMRISZKWKX-ZDUSSCGKSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@]1(CO)CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000923472790 644456768 /nfs/dbraw/zinc/45/67/68/644456768.db2.gz NCRHLMRISZKWKX-CYBMUJFWSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@]1(CO)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923472790 644456770 /nfs/dbraw/zinc/45/67/70/644456770.db2.gz NCRHLMRISZKWKX-CYBMUJFWSA-N 2 1 241.379 0.162 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481951 644459393 /nfs/dbraw/zinc/45/93/93/644459393.db2.gz VPIWIZGAHIGXDP-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000923480419 644460419 /nfs/dbraw/zinc/46/04/19/644460419.db2.gz YFOLHJJLZARRCV-MRVPVSSYSA-N 2 1 208.252 0.896 20 0 BCADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485155 644462569 /nfs/dbraw/zinc/46/25/69/644462569.db2.gz PIEXMPDSNJDYDG-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490165 644464821 /nfs/dbraw/zinc/46/48/21/644464821.db2.gz BONITBKQWNDHAT-QJPTWQEYSA-N 2 1 230.352 0.301 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490163 644465779 /nfs/dbraw/zinc/46/57/79/644465779.db2.gz BONITBKQWNDHAT-IJLUTSLNSA-N 2 1 230.352 0.301 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1C[NH3+] ZINC000923491515 644466966 /nfs/dbraw/zinc/46/69/66/644466966.db2.gz SNVDKYVNHNARGU-WOPDTQHZSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1C[NH3+] ZINC000923492809 644467335 /nfs/dbraw/zinc/46/73/35/644467335.db2.gz OZQNMTFRJTUYRI-DTWKUNHWSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499064 644472506 /nfs/dbraw/zinc/47/25/06/644472506.db2.gz QSHIJIOCGHVUFY-MXWKQRLJSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499848 644473061 /nfs/dbraw/zinc/47/30/61/644473061.db2.gz MMDINTJWVPOXNK-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497757 644473314 /nfs/dbraw/zinc/47/33/14/644473314.db2.gz DLAXMOLLGSCWRP-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1C[NH3+] ZINC000923500420 644474131 /nfs/dbraw/zinc/47/41/31/644474131.db2.gz QEJADYRRPILGAG-WCQYABFASA-N 2 1 249.358 0.802 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503640 644478275 /nfs/dbraw/zinc/47/82/75/644478275.db2.gz KCJABFVUZANYCJ-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515572 644479465 /nfs/dbraw/zinc/47/94/65/644479465.db2.gz HIXSFIIFNBQTNU-YNEHKIRRSA-N 2 1 242.363 0.314 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518973 644483981 /nfs/dbraw/zinc/48/39/81/644483981.db2.gz HZQNJMXQJOVHJP-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP COCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518453 644483985 /nfs/dbraw/zinc/48/39/85/644483985.db2.gz KCATURGNQMJNIG-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP OC[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923531072 644486919 /nfs/dbraw/zinc/48/69/19/644486919.db2.gz ORFPBINDPORBMO-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP NC(=O)C12CCC(CC1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000923531060 644488363 /nfs/dbraw/zinc/48/83/63/644488363.db2.gz NGPHWZBABXEKCR-GRZMOONWSA-N 2 1 223.320 0.078 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000923531060 644488370 /nfs/dbraw/zinc/48/83/70/644488370.db2.gz NGPHWZBABXEKCR-GRZMOONWSA-N 2 1 223.320 0.078 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCCC[C@H]1CO ZINC000923531853 644489332 /nfs/dbraw/zinc/48/93/32/644489332.db2.gz WPWJUISFWVJKSF-NSHDSACASA-N 2 1 216.325 0.199 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923558333 644498962 /nfs/dbraw/zinc/49/89/62/644498962.db2.gz QWRBEGCPAYJRBX-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CC(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000091846465 644642223 /nfs/dbraw/zinc/64/22/23/644642223.db2.gz YTDVXKAJPWRFMX-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561688 644764717 /nfs/dbraw/zinc/76/47/17/644764717.db2.gz COJMUPZLSYQHLP-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561688 644764722 /nfs/dbraw/zinc/76/47/22/644764722.db2.gz COJMUPZLSYQHLP-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250568505 644765460 /nfs/dbraw/zinc/76/54/60/644765460.db2.gz HFNDKUBMEPMVOU-SDDRHHMPSA-N 2 1 239.363 0.713 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251514589 644807947 /nfs/dbraw/zinc/80/79/47/644807947.db2.gz ITYHMKRSPRLNGQ-GARJFASQSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251514591 644808215 /nfs/dbraw/zinc/80/82/15/644808215.db2.gz ITYHMKRSPRLNGQ-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000251572141 644810273 /nfs/dbraw/zinc/81/02/73/644810273.db2.gz BXYXYMQGJFHTTF-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566827 644810851 /nfs/dbraw/zinc/81/08/51/644810851.db2.gz BVRNVUKXYYMBLF-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736969 644818045 /nfs/dbraw/zinc/81/80/45/644818045.db2.gz KQKFVCSHRANLGP-PWSUYJOCSA-N 2 1 239.363 0.429 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251790762 644822065 /nfs/dbraw/zinc/82/20/65/644822065.db2.gz XKOXPDMWRJYQNW-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251909552 644829784 /nfs/dbraw/zinc/82/97/84/644829784.db2.gz XPFMTWQDJAVALZ-VWYCJHECSA-N 2 1 200.326 0.817 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000304378266 644897920 /nfs/dbraw/zinc/89/79/20/644897920.db2.gz PZZTZWDUXCWODH-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839601 644913925 /nfs/dbraw/zinc/91/39/25/644913925.db2.gz BBDCPNNEIAGCOL-FIQHERPVSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C)C1 ZINC000252949449 644926744 /nfs/dbraw/zinc/92/67/44/644926744.db2.gz BZDGCWKDRHNOEM-WOPDTQHZSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C)C1 ZINC000252949449 644926750 /nfs/dbraw/zinc/92/67/50/644926750.db2.gz BZDGCWKDRHNOEM-WOPDTQHZSA-N 2 1 227.352 0.047 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[S@@](C)=O ZINC000828087445 645094510 /nfs/dbraw/zinc/09/45/10/645094510.db2.gz DJNXGGMZJKCZSY-MRXNPFEDSA-N 2 1 243.376 0.892 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[S@@](C)=O ZINC000828087445 645094514 /nfs/dbraw/zinc/09/45/14/645094514.db2.gz DJNXGGMZJKCZSY-MRXNPFEDSA-N 2 1 243.376 0.892 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000843078047 645262656 /nfs/dbraw/zinc/26/26/56/645262656.db2.gz JSGSWNDFBSYNLM-QWHCGFSZSA-N 2 1 238.331 0.198 20 0 BCADMP NCC[N@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000843367438 645286213 /nfs/dbraw/zinc/28/62/13/645286213.db2.gz HLGOMPLUYDUGMT-UHFFFAOYSA-N 2 1 229.368 0.019 20 0 BCADMP NCC[N@@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000843367438 645286217 /nfs/dbraw/zinc/28/62/17/645286217.db2.gz HLGOMPLUYDUGMT-UHFFFAOYSA-N 2 1 229.368 0.019 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000844187064 645315740 /nfs/dbraw/zinc/31/57/40/645315740.db2.gz CGNVUGVGRAOJKN-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH2+]CC(=O)NCCCCn1cc[nH+]c1C ZINC000844186186 645316618 /nfs/dbraw/zinc/31/66/18/645316618.db2.gz VNDLMILQARPLEM-UHFFFAOYSA-N 2 1 238.335 0.697 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH2+]CC)C1 ZINC000844188636 645316474 /nfs/dbraw/zinc/31/64/74/645316474.db2.gz XZZOCPBSCITCGN-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926709062 645372791 /nfs/dbraw/zinc/37/27/91/645372791.db2.gz XQFQMNLHTOVIPC-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926709062 645372793 /nfs/dbraw/zinc/37/27/93/645372793.db2.gz XQFQMNLHTOVIPC-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](CO)C1 ZINC000926779524 645428245 /nfs/dbraw/zinc/42/82/45/645428245.db2.gz TZVHOZCTUCETGA-ZSLJRAHMSA-N 2 1 224.348 0.687 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C[NH+](C)C ZINC000926960929 645501189 /nfs/dbraw/zinc/50/11/89/645501189.db2.gz HQZIVCJZCXHURN-JHJVBQTASA-N 2 1 244.379 0.968 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925488306 645508360 /nfs/dbraw/zinc/50/83/60/645508360.db2.gz RHBZHZULNJFUPY-WDEREUQCSA-N 2 1 209.337 0.565 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488694 645519518 /nfs/dbraw/zinc/51/95/18/645519518.db2.gz VFKPCRZOIHPIDY-NWDGAFQWSA-N 2 1 223.364 0.955 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928428235 645742006 /nfs/dbraw/zinc/74/20/06/645742006.db2.gz VUVVBODZGLHZGS-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425119 645742728 /nfs/dbraw/zinc/74/27/28/645742728.db2.gz HBSOCWRSQABMFL-MXWKQRLJSA-N 2 1 227.352 0.535 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928425114 645742948 /nfs/dbraw/zinc/74/29/48/645742948.db2.gz HBSOCWRSQABMFL-GARJFASQSA-N 2 1 227.352 0.535 20 0 BCADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928436442 645756796 /nfs/dbraw/zinc/75/67/96/645756796.db2.gz GCJIPUCYEWADAZ-TUAOUCFPSA-N 2 1 241.379 0.781 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000886839328 645890967 /nfs/dbraw/zinc/89/09/67/645890967.db2.gz BTFCQHUGECWZMX-WRWGMCAJSA-N 2 1 210.321 0.692 20 0 BCADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924618138 646078644 /nfs/dbraw/zinc/07/86/44/646078644.db2.gz VUBFBDBMXBXDQH-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924618138 646078649 /nfs/dbraw/zinc/07/86/49/646078649.db2.gz VUBFBDBMXBXDQH-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000924653492 646086270 /nfs/dbraw/zinc/08/62/70/646086270.db2.gz KMURJENCADRKFM-YNEHKIRRSA-N 2 1 244.379 0.968 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924657949 646086950 /nfs/dbraw/zinc/08/69/50/646086950.db2.gz XPGZGBFWQVGVAL-GFCCVEGCSA-N 2 1 246.395 0.951 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924757853 646103154 /nfs/dbraw/zinc/10/31/54/646103154.db2.gz WIGQRLYJLHHOGJ-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnnn1C ZINC000924871672 646121059 /nfs/dbraw/zinc/12/10/59/646121059.db2.gz FUHULDFEHKQGRE-VIFPVBQESA-N 2 1 234.307 0.671 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929470814 646129884 /nfs/dbraw/zinc/12/98/84/646129884.db2.gz OZZSWRKQZFJTSI-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929470814 646129886 /nfs/dbraw/zinc/12/98/86/646129886.db2.gz OZZSWRKQZFJTSI-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924993877 646152223 /nfs/dbraw/zinc/15/22/23/646152223.db2.gz MRIMBDKRNXWCLD-QNWHQSFQSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924995850 646154432 /nfs/dbraw/zinc/15/44/32/646154432.db2.gz ZJLWJCSARGYHNP-GMTAPVOTSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924995851 646156034 /nfs/dbraw/zinc/15/60/34/646156034.db2.gz ZJLWJCSARGYHNP-KXNHARMFSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929723093 646274906 /nfs/dbraw/zinc/27/49/06/646274906.db2.gz RZYUWDVBINNHQQ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929723093 646274914 /nfs/dbraw/zinc/27/49/14/646274914.db2.gz RZYUWDVBINNHQQ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000929723093 646274920 /nfs/dbraw/zinc/27/49/20/646274920.db2.gz RZYUWDVBINNHQQ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000929723093 646274926 /nfs/dbraw/zinc/27/49/26/646274926.db2.gz RZYUWDVBINNHQQ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929723094 646275282 /nfs/dbraw/zinc/27/52/82/646275282.db2.gz RZYUWDVBINNHQQ-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929723094 646275287 /nfs/dbraw/zinc/27/52/87/646275287.db2.gz RZYUWDVBINNHQQ-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000929723094 646275295 /nfs/dbraw/zinc/27/52/95/646275295.db2.gz RZYUWDVBINNHQQ-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000929723094 646275300 /nfs/dbraw/zinc/27/53/00/646275300.db2.gz RZYUWDVBINNHQQ-XQQFMLRXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929750040 646278765 /nfs/dbraw/zinc/27/87/65/646278765.db2.gz RTSWHOFYHHYHAO-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929750040 646278773 /nfs/dbraw/zinc/27/87/73/646278773.db2.gz RTSWHOFYHHYHAO-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC[NH+]1CCSCC1 ZINC000925479527 646291584 /nfs/dbraw/zinc/29/15/84/646291584.db2.gz BUTIOLXRHWIFFW-NSHDSACASA-N 2 1 243.420 0.765 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000925494263 646301064 /nfs/dbraw/zinc/30/10/64/646301064.db2.gz JKWPPIIQSJZYRY-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925505577 646306447 /nfs/dbraw/zinc/30/64/47/646306447.db2.gz UUFVLRJCMICWKF-QWRGUYRKSA-N 2 1 239.363 0.762 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782907 646307712 /nfs/dbraw/zinc/30/77/12/646307712.db2.gz MZMFJNWYVNYFRS-NNYUYHANSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782907 646307719 /nfs/dbraw/zinc/30/77/19/646307719.db2.gz MZMFJNWYVNYFRS-NNYUYHANSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782907 646307725 /nfs/dbraw/zinc/30/77/25/646307725.db2.gz MZMFJNWYVNYFRS-NNYUYHANSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782907 646307729 /nfs/dbraw/zinc/30/77/29/646307729.db2.gz MZMFJNWYVNYFRS-NNYUYHANSA-N 2 1 230.352 0.143 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929780358 646307938 /nfs/dbraw/zinc/30/79/38/646307938.db2.gz QTQTXPIZSGVNNY-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929780358 646307942 /nfs/dbraw/zinc/30/79/42/646307942.db2.gz QTQTXPIZSGVNNY-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929780358 646307945 /nfs/dbraw/zinc/30/79/45/646307945.db2.gz QTQTXPIZSGVNNY-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929780358 646307949 /nfs/dbraw/zinc/30/79/49/646307949.db2.gz QTQTXPIZSGVNNY-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925512078 646311336 /nfs/dbraw/zinc/31/13/36/646311336.db2.gz ZDHZQZIPHQQVNJ-KQAFNVIJSA-N 2 1 247.346 0.253 20 0 BCADMP Cn1cnnc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925536193 646322399 /nfs/dbraw/zinc/32/23/99/646322399.db2.gz CDEVVEAFTRIXLZ-UWVGGRQHSA-N 2 1 237.351 0.811 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2COCCO2)C1 ZINC000929791328 646322707 /nfs/dbraw/zinc/32/27/07/646322707.db2.gz SBOSQSIVOUQIBH-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2COCCO2)C1 ZINC000929791328 646322715 /nfs/dbraw/zinc/32/27/15/646322715.db2.gz SBOSQSIVOUQIBH-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000929791328 646322719 /nfs/dbraw/zinc/32/27/19/646322719.db2.gz SBOSQSIVOUQIBH-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000929791328 646322724 /nfs/dbraw/zinc/32/27/24/646322724.db2.gz SBOSQSIVOUQIBH-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)C[N@H+]1C1CC1 ZINC000925543595 646324173 /nfs/dbraw/zinc/32/41/73/646324173.db2.gz VNFLTJAEJNHVBV-UTUOFQBUSA-N 2 1 239.363 0.190 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550388 646326210 /nfs/dbraw/zinc/32/62/10/646326210.db2.gz LUDUNSGZYZGCBZ-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925560855 646335084 /nfs/dbraw/zinc/33/50/84/646335084.db2.gz NXSUPAHNJMSAAV-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925560853 646336010 /nfs/dbraw/zinc/33/60/10/646336010.db2.gz NXSUPAHNJMSAAV-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578287 646345487 /nfs/dbraw/zinc/34/54/87/646345487.db2.gz UMFZHWZZTDZGGR-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577617 646345415 /nfs/dbraw/zinc/34/54/15/646345415.db2.gz PCIJZQWENFLLFR-RYUDHWBXSA-N 2 1 229.368 0.295 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925607504 646348380 /nfs/dbraw/zinc/34/83/80/646348380.db2.gz CAHYBEOVINGGIT-QWRGUYRKSA-N 2 1 228.336 0.258 20 0 BCADMP COCC1([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925604044 646354414 /nfs/dbraw/zinc/35/44/14/646354414.db2.gz UOWKADWKIIXEMO-KKJSVHSVSA-N 2 1 222.332 0.751 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000925619567 646367718 /nfs/dbraw/zinc/36/77/18/646367718.db2.gz PEROAYKVLLBKPE-NWDGAFQWSA-N 2 1 242.363 0.504 20 0 BCADMP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925621560 646367961 /nfs/dbraw/zinc/36/79/61/646367961.db2.gz FFQXNEKLANLCGN-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP C[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925621395 646368251 /nfs/dbraw/zinc/36/82/51/646368251.db2.gz KURTUBLYXIDUHU-VXGBXAGGSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCO[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925621395 646368255 /nfs/dbraw/zinc/36/82/55/646368255.db2.gz KURTUBLYXIDUHU-VXGBXAGGSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@@H+]1CCO[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925620185 646368322 /nfs/dbraw/zinc/36/83/22/646368322.db2.gz FJSXZIHVNCPDRW-QWRGUYRKSA-N 2 1 227.352 0.047 20 0 BCADMP C[N@H+]1CCO[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925620185 646368326 /nfs/dbraw/zinc/36/83/26/646368326.db2.gz FJSXZIHVNCPDRW-QWRGUYRKSA-N 2 1 227.352 0.047 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925627112 646373319 /nfs/dbraw/zinc/37/33/19/646373319.db2.gz UBWRKIAJLPLHOP-QWRGUYRKSA-N 2 1 228.336 0.258 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000929962417 646379002 /nfs/dbraw/zinc/37/90/02/646379002.db2.gz TWSMUAMCCDCPOX-JQWIXIFHSA-N 2 1 230.352 0.191 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000925640987 646381854 /nfs/dbraw/zinc/38/18/54/646381854.db2.gz WYXZWSZBDJVEQE-JTQLQIEISA-N 2 1 228.336 0.870 20 0 BCADMP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925652602 646391849 /nfs/dbraw/zinc/39/18/49/646391849.db2.gz GIXNEQDXDMAWSX-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(=O)NCCF ZINC000925660614 646395020 /nfs/dbraw/zinc/39/50/20/646395020.db2.gz OSQRZLXQPTYIEC-IVZWLZJFSA-N 2 1 243.326 0.320 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668034 646397710 /nfs/dbraw/zinc/39/77/10/646397710.db2.gz FNVZOEOTTCJIPJ-VXGBXAGGSA-N 2 1 229.368 0.293 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925672749 646402180 /nfs/dbraw/zinc/40/21/80/646402180.db2.gz XJYUHJBBZSEGFL-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC(=O)N1 ZINC000925685359 646411463 /nfs/dbraw/zinc/41/14/63/646411463.db2.gz LLTWYYICPXCQIA-ZYHUDNBSSA-N 2 1 237.347 0.529 20 0 BCADMP O=C1NCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925685490 646412954 /nfs/dbraw/zinc/41/29/54/646412954.db2.gz JOFIVZUFPPFFHI-MNOVXSKESA-N 2 1 237.347 0.387 20 0 BCADMP Cc1nccn1CCC[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930060592 646415003 /nfs/dbraw/zinc/41/50/03/646415003.db2.gz MRSANTBWVXXTGZ-ZYHUDNBSSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930060592 646415008 /nfs/dbraw/zinc/41/50/08/646415008.db2.gz MRSANTBWVXXTGZ-ZYHUDNBSSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930060592 646415010 /nfs/dbraw/zinc/41/50/10/646415010.db2.gz MRSANTBWVXXTGZ-ZYHUDNBSSA-N 2 1 241.335 0.255 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925689662 646415916 /nfs/dbraw/zinc/41/59/16/646415916.db2.gz UKWXIHCMSVULDX-WDEREUQCSA-N 2 1 239.363 0.775 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH2+]C1 ZINC000925694402 646419977 /nfs/dbraw/zinc/41/99/77/646419977.db2.gz UDZHUHRPAQARAD-TZMBILIQSA-N 2 1 209.337 0.454 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000925699323 646423699 /nfs/dbraw/zinc/42/36/99/646423699.db2.gz OALLSXRNDFWYDU-ZETCQYMHSA-N 2 1 207.268 0.311 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnnn1C ZINC000925710118 646434618 /nfs/dbraw/zinc/43/46/18/646434618.db2.gz WITNMNHLEPHJLU-SNVBAGLBSA-N 2 1 235.335 0.728 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)n1 ZINC000925710548 646435127 /nfs/dbraw/zinc/43/51/27/646435127.db2.gz WWLVGKVDCXZGML-SNVBAGLBSA-N 2 1 235.335 0.728 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)n1 ZINC000925710548 646435129 /nfs/dbraw/zinc/43/51/29/646435129.db2.gz WWLVGKVDCXZGML-SNVBAGLBSA-N 2 1 235.335 0.728 20 0 BCADMP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717164 646440497 /nfs/dbraw/zinc/44/04/97/646440497.db2.gz FOFOPVLXGPZCEY-UTLUCORTSA-N 2 1 241.335 0.254 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719452 646443678 /nfs/dbraw/zinc/44/36/78/646443678.db2.gz RXWQCCABKFGXKL-NURVWSNCSA-N 2 1 239.363 0.079 20 0 BCADMP CCn1nncc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925721598 646446536 /nfs/dbraw/zinc/44/65/36/646446536.db2.gz OROYHMPXXPVXSU-QWRGUYRKSA-N 2 1 235.335 0.658 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925726652 646451381 /nfs/dbraw/zinc/45/13/81/646451381.db2.gz VMLNLWXUHZEHPS-SRVKXCTJSA-N 2 1 227.352 0.082 20 0 BCADMP NC(=O)C1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925730217 646454917 /nfs/dbraw/zinc/45/49/17/646454917.db2.gz UMRYDJPANUXSCQ-RTBKNWGFSA-N 2 1 223.320 0.125 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767084 646468586 /nfs/dbraw/zinc/46/85/86/646468586.db2.gz MIDIEEFMMYDYOQ-UMSGYPCISA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767079 646468653 /nfs/dbraw/zinc/46/86/53/646468653.db2.gz MIDIEEFMMYDYOQ-CYDGBPFRSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH2+]CCN1CCNC1=O)c1c[nH+]ccc1N ZINC000925776722 646474436 /nfs/dbraw/zinc/47/44/36/646474436.db2.gz IBMFZCJXISJMEY-VIFPVBQESA-N 2 1 249.318 0.170 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782085 646478692 /nfs/dbraw/zinc/47/86/92/646478692.db2.gz KUNALTQOHUVQLB-MXWKQRLJSA-N 2 1 247.333 0.771 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1C ZINC000925782957 646478848 /nfs/dbraw/zinc/47/88/48/646478848.db2.gz BMARAKKSFNHMJU-VWYCJHECSA-N 2 1 222.336 0.926 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925782219 646479599 /nfs/dbraw/zinc/47/95/99/646479599.db2.gz ISHVVKJPPCSIPZ-NOOOWODRSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000925788057 646483538 /nfs/dbraw/zinc/48/35/38/646483538.db2.gz XWPWESBMNLIBPZ-FVCCEPFGSA-N 2 1 225.380 0.820 20 0 BCADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925860468 646512145 /nfs/dbraw/zinc/51/21/45/646512145.db2.gz QVZOJLFUAZUDGM-SDDRHHMPSA-N 2 1 227.352 0.790 20 0 BCADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858869 646512425 /nfs/dbraw/zinc/51/24/25/646512425.db2.gz DKMNGCZBFFDFCY-RHYQMDGZSA-N 2 1 225.336 0.400 20 0 BCADMP C1C[C@@H]([NH2+][C@@H]2CNOC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925860262 646512996 /nfs/dbraw/zinc/51/29/96/646512996.db2.gz OHFLSYQZDYOFFV-YVECIDJPSA-N 2 1 239.363 0.790 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CNOC1)[NH2+]2 ZINC000925858854 646513565 /nfs/dbraw/zinc/51/35/65/646513565.db2.gz DHERHYKXLAGNMA-FBDQPXRJSA-N 2 1 211.309 0.008 20 0 BCADMP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863679 646516987 /nfs/dbraw/zinc/51/69/87/646516987.db2.gz DKMNGCZBFFDFCY-USZNOCQGSA-N 2 1 225.336 0.400 20 0 BCADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925865432 646518389 /nfs/dbraw/zinc/51/83/89/646518389.db2.gz QVZOJLFUAZUDGM-UTUOFQBUSA-N 2 1 227.352 0.790 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879355 646529022 /nfs/dbraw/zinc/52/90/22/646529022.db2.gz BWEZZPYOCJIIBO-USZNOCQGSA-N 3 1 211.353 0.701 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880112 646529252 /nfs/dbraw/zinc/52/92/52/646529252.db2.gz OGELHLRZPFDCJG-NOOOWODRSA-N 2 1 223.364 0.973 20 0 BCADMP C[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880337 646529494 /nfs/dbraw/zinc/52/94/94/646529494.db2.gz PHVRMSACXZBQCJ-WYUUTHIRSA-N 2 1 211.353 0.844 20 0 BCADMP COCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894848 711544200 /nfs/dbraw/zinc/54/42/00/711544200.db2.gz PLXSXSYBPFPXJP-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC([NH3+])C1 ZINC000724588621 711595661 /nfs/dbraw/zinc/59/56/61/711595661.db2.gz BGSYVGZEQMPZOI-QPCJGGDKSA-N 2 1 226.320 0.212 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724920459 711628545 /nfs/dbraw/zinc/62/85/45/711628545.db2.gz GEYIRBZPLGPJTF-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724913214 711626883 /nfs/dbraw/zinc/62/68/83/711626883.db2.gz FPDHMZKQPLDYCE-WDEREUQCSA-N 2 1 214.309 0.073 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)c1ncoc1C[NH3+] ZINC000721376979 711653287 /nfs/dbraw/zinc/65/32/87/711653287.db2.gz APIIKDSOFXGPPC-MRVPVSSYSA-N 2 1 240.307 0.203 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039132 711687483 /nfs/dbraw/zinc/68/74/83/711687483.db2.gz CSMGXBUFIMAPCJ-MNOVXSKESA-N 2 1 227.352 0.285 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039132 711687485 /nfs/dbraw/zinc/68/74/85/711687485.db2.gz CSMGXBUFIMAPCJ-MNOVXSKESA-N 2 1 227.352 0.285 20 0 BCADMP C[C@H](O)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396592657 711702334 /nfs/dbraw/zinc/70/23/34/711702334.db2.gz ULSPDOVGMQQXGM-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOCCO ZINC000396726467 711703447 /nfs/dbraw/zinc/70/34/47/711703447.db2.gz YWLCUEQROGNJBA-GHMZBOCLSA-N 2 1 216.325 0.116 20 0 BCADMP CNC(=O)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000398310750 711709913 /nfs/dbraw/zinc/70/99/13/711709913.db2.gz LBHPFQZHILSKLH-UWVGGRQHSA-N 2 1 213.325 0.243 20 0 BCADMP C[C@H](C1CC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929258959 711950485 /nfs/dbraw/zinc/95/04/85/711950485.db2.gz KSENJUNUZNLLFS-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1OC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000702605863 712056187 /nfs/dbraw/zinc/05/61/87/712056187.db2.gz XINZXTYQHOKMJP-RHYQMDGZSA-N 2 1 228.336 0.066 20 0 BCADMP C[C@@H]1OC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000702605863 712056192 /nfs/dbraw/zinc/05/61/92/712056192.db2.gz XINZXTYQHOKMJP-RHYQMDGZSA-N 2 1 228.336 0.066 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)C[C@]2(C)C1 ZINC000702470210 712053543 /nfs/dbraw/zinc/05/35/43/712053543.db2.gz NBFYVALJWLVAOB-SCVCMEIPSA-N 2 1 247.333 0.852 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115724 /nfs/dbraw/zinc/11/57/24/712115724.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115725 /nfs/dbraw/zinc/11/57/25/712115725.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115726 /nfs/dbraw/zinc/11/57/26/712115726.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C/C=C/Cl ZINC000706666807 712150995 /nfs/dbraw/zinc/15/09/95/712150995.db2.gz ZPRQPWVUUJZJHR-ONEGZZNKSA-N 2 1 206.717 0.907 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H]1C ZINC000706762867 712154975 /nfs/dbraw/zinc/15/49/75/712154975.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000708860915 712200981 /nfs/dbraw/zinc/20/09/81/712200981.db2.gz FOURIQISWRADBZ-BWZBUEFSSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000708860915 712200983 /nfs/dbraw/zinc/20/09/83/712200983.db2.gz FOURIQISWRADBZ-BWZBUEFSSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H]1COC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000710910900 712262766 /nfs/dbraw/zinc/26/27/66/712262766.db2.gz NBRXXFLENMGEFE-JQWIXIFHSA-N 2 1 223.320 0.977 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312676 712293681 /nfs/dbraw/zinc/29/36/81/712293681.db2.gz YKMMPIVVQLKEGS-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711382461 712296143 /nfs/dbraw/zinc/29/61/43/712296143.db2.gz OPRAOGJDCIOHRK-SNVBAGLBSA-N 2 1 225.336 0.006 20 0 BCADMP FC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000711442142 712300662 /nfs/dbraw/zinc/30/06/62/712300662.db2.gz HWNAIZXSEJSIJR-GFCCVEGCSA-N 2 1 229.343 0.573 20 0 BCADMP C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)[NH+](C)C ZINC000923261665 712308924 /nfs/dbraw/zinc/30/89/24/712308924.db2.gz NYYFUEAUFLTJEF-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923479679 712334301 /nfs/dbraw/zinc/33/43/01/712334301.db2.gz BEDQPBPVYDVETQ-SNVBAGLBSA-N 2 1 223.324 0.469 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923479679 712334302 /nfs/dbraw/zinc/33/43/02/712334302.db2.gz BEDQPBPVYDVETQ-SNVBAGLBSA-N 2 1 223.324 0.469 20 0 BCADMP COC(C)(C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000711865532 712336369 /nfs/dbraw/zinc/33/63/69/712336369.db2.gz YARAFOHBAXLACU-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP COC(C)(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000711865532 712336370 /nfs/dbraw/zinc/33/63/70/712336370.db2.gz YARAFOHBAXLACU-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712437780 712429707 /nfs/dbraw/zinc/42/97/07/712429707.db2.gz KSEWGUUJJVTNCT-MNOVXSKESA-N 2 1 228.336 0.340 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712437780 712429708 /nfs/dbraw/zinc/42/97/08/712429708.db2.gz KSEWGUUJJVTNCT-MNOVXSKESA-N 2 1 228.336 0.340 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577585 712432946 /nfs/dbraw/zinc/43/29/46/712432946.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577585 712432948 /nfs/dbraw/zinc/43/29/48/712432948.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672670 712440658 /nfs/dbraw/zinc/44/06/58/712440658.db2.gz IZOKHJYXVLIPOB-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)S(C)(=O)=O ZINC000714010941 712477528 /nfs/dbraw/zinc/47/75/28/712477528.db2.gz ZXLDNUVGWJBFSQ-AOOOYVTPSA-N 2 1 248.392 0.479 20 0 BCADMP CCn1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nn1 ZINC000714426971 712486048 /nfs/dbraw/zinc/48/60/48/712486048.db2.gz JEZWFVQNFZWZTI-JTQLQIEISA-N 2 1 237.351 0.857 20 0 BCADMP CCOC[C@H](O)CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717434089 712657699 /nfs/dbraw/zinc/65/76/99/712657699.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP CCOC[C@H](O)CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717434089 712657700 /nfs/dbraw/zinc/65/77/00/712657700.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037643445 712733057 /nfs/dbraw/zinc/73/30/57/712733057.db2.gz MYMSAOSNQSXWPS-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718902944 712787546 /nfs/dbraw/zinc/78/75/46/712787546.db2.gz SLDBBFATGZGYHJ-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718902944 712787548 /nfs/dbraw/zinc/78/75/48/712787548.db2.gz SLDBBFATGZGYHJ-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000718902944 712787550 /nfs/dbraw/zinc/78/75/50/712787550.db2.gz SLDBBFATGZGYHJ-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000718902944 712787552 /nfs/dbraw/zinc/78/75/52/712787552.db2.gz SLDBBFATGZGYHJ-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719251928 712801674 /nfs/dbraw/zinc/80/16/74/712801674.db2.gz KJJWPFNXSKFRBA-YOGCLGLASA-N 2 1 239.363 0.585 20 0 BCADMP Cc1cc(C[NH2+]CCOCC[NH+](C)C)no1 ZINC000720418905 712841093 /nfs/dbraw/zinc/84/10/93/712841093.db2.gz COBNKIIEYDKPTB-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890775 712874862 /nfs/dbraw/zinc/87/48/62/712874862.db2.gz UEEVYSPVVMPREQ-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896245 712876435 /nfs/dbraw/zinc/87/64/35/712876435.db2.gz PVSURXCYYHJAKG-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720896715 712876456 /nfs/dbraw/zinc/87/64/56/712876456.db2.gz DHSIGCVARHPOKH-SDDRHHMPSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000381590316 710660256 /nfs/dbraw/zinc/66/02/56/710660256.db2.gz CWVAIDGTJIMOIZ-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381786699 710715842 /nfs/dbraw/zinc/71/58/42/710715842.db2.gz YYMKAVZYSQNJKS-WOPDTQHZSA-N 3 1 211.353 0.798 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381786699 710715846 /nfs/dbraw/zinc/71/58/46/710715846.db2.gz YYMKAVZYSQNJKS-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CC[NH3+] ZINC000723890161 710733134 /nfs/dbraw/zinc/73/31/34/710733134.db2.gz CKDNJDNWLQUIQW-ZYHUDNBSSA-N 2 1 239.363 0.429 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724922249 710748724 /nfs/dbraw/zinc/74/87/24/710748724.db2.gz PUSJPHQRDRJORS-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724922249 710748726 /nfs/dbraw/zinc/74/87/26/710748726.db2.gz PUSJPHQRDRJORS-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CC[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724920738 710748847 /nfs/dbraw/zinc/74/88/47/710748847.db2.gz HTWJUYHROWBMPN-UPJWGTAASA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCC[NH3+])CCO[C@@H]1CCOC1 ZINC000724914916 710748860 /nfs/dbraw/zinc/74/88/60/710748860.db2.gz OHAXKSFXESYTOC-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP CC[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724920736 710749009 /nfs/dbraw/zinc/74/90/09/710749009.db2.gz HTWJUYHROWBMPN-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133090168 710968265 /nfs/dbraw/zinc/96/82/65/710968265.db2.gz IHVIVCITQCQPPB-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)C[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383587910 710983638 /nfs/dbraw/zinc/98/36/38/710983638.db2.gz NGYSLWNQTLOVRS-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383587910 710983639 /nfs/dbraw/zinc/98/36/39/710983639.db2.gz NGYSLWNQTLOVRS-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385103561 711006292 /nfs/dbraw/zinc/00/62/92/711006292.db2.gz IBJDTZJAUXKWHE-WYUUTHIRSA-N 2 1 212.337 0.639 20 0 BCADMP C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385103561 711006293 /nfs/dbraw/zinc/00/62/93/711006293.db2.gz IBJDTZJAUXKWHE-WYUUTHIRSA-N 2 1 212.337 0.639 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1=O ZINC000385561126 711014619 /nfs/dbraw/zinc/01/46/19/711014619.db2.gz ZQFVZOHUYWDKSF-XGEMBROFSA-N 2 1 249.358 0.193 20 0 BCADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183629 711025108 /nfs/dbraw/zinc/02/51/08/711025108.db2.gz YMMVWWHRWSOOEM-QJPTWQEYSA-N 2 1 211.353 0.811 20 0 BCADMP CC(C)[N@@H+](C)CCNC1=[NH+]CCCN1C ZINC000386596415 711033982 /nfs/dbraw/zinc/03/39/82/711033982.db2.gz SVFMMBWNEQSTSZ-UHFFFAOYSA-N 2 1 212.341 0.608 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000388021318 711050262 /nfs/dbraw/zinc/05/02/62/711050262.db2.gz FKPIDZYGVZBYMH-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2cnns2)CC1 ZINC000389687232 711086710 /nfs/dbraw/zinc/08/67/10/711086710.db2.gz GRJAVOPKCYROET-UHFFFAOYSA-N 2 1 226.349 0.970 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](CN)C1CC1 ZINC000390612055 711127753 /nfs/dbraw/zinc/12/77/53/711127753.db2.gz FJXNLWKWGQLBAU-USWWRNFRSA-N 2 1 211.353 0.783 20 0 BCADMP [NH3+][C@@H](CC(=O)NCC[N@@H+]1CC=CCC1)C1CC1 ZINC000392793031 711151149 /nfs/dbraw/zinc/15/11/49/711151149.db2.gz ILIXGTKOEDPJRP-LBPRGKRZSA-N 2 1 237.347 0.492 20 0 BCADMP CC[N@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393820613 711175899 /nfs/dbraw/zinc/17/58/99/711175899.db2.gz QZMPQXOBTOJBKU-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CC[N@@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393820613 711175901 /nfs/dbraw/zinc/17/59/01/711175901.db2.gz QZMPQXOBTOJBKU-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000393823719 711177298 /nfs/dbraw/zinc/17/72/98/711177298.db2.gz BFZOQZVGVWSSAS-AVGNSLFASA-N 2 1 243.395 0.323 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000394953738 711199881 /nfs/dbraw/zinc/19/98/81/711199881.db2.gz OOHUSFPHENIBFQ-KOLCDFICSA-N 2 1 225.336 0.337 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396612549 711361101 /nfs/dbraw/zinc/36/11/01/711361101.db2.gz FEVOYNHUUGBEIT-HBNTYKKESA-N 2 1 216.325 0.114 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396666809 711361544 /nfs/dbraw/zinc/36/15/44/711361544.db2.gz PCRSFZRZUOLOBK-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000396582854 711354111 /nfs/dbraw/zinc/35/41/11/711354111.db2.gz PXXWJIZICXOCQT-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396591176 711356930 /nfs/dbraw/zinc/35/69/30/711356930.db2.gz TXPHRIYSGLOJFF-VPOLOUISSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000396591674 711357680 /nfs/dbraw/zinc/35/76/80/711357680.db2.gz CLWLVGDAGZTNQU-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CO ZINC000396605761 711359730 /nfs/dbraw/zinc/35/97/30/711359730.db2.gz ZCIWVSKZYFSSLH-ZJUUUORDSA-N 2 1 200.326 0.735 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396612552 711360310 /nfs/dbraw/zinc/36/03/10/711360310.db2.gz FEVOYNHUUGBEIT-MXWKQRLJSA-N 2 1 216.325 0.114 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC000398169565 711403117 /nfs/dbraw/zinc/40/31/17/711403117.db2.gz HAZKTDKWTTWRAM-QMMMGPOBSA-N 2 1 208.252 0.767 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000398169565 711403120 /nfs/dbraw/zinc/40/31/20/711403120.db2.gz HAZKTDKWTTWRAM-QMMMGPOBSA-N 2 1 208.252 0.767 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000399486299 711430690 /nfs/dbraw/zinc/43/06/90/711430690.db2.gz RRRGJNIWXMPFAF-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000399486299 711430694 /nfs/dbraw/zinc/43/06/94/711430694.db2.gz RRRGJNIWXMPFAF-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000385010349 711003415 /nfs/dbraw/zinc/00/34/15/711003415.db2.gz XRUUXXHKVMFZTE-MNOVXSKESA-N 2 1 230.352 0.565 20 0 BCADMP CON1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392300580 711144950 /nfs/dbraw/zinc/14/49/50/711144950.db2.gz FVCGPDPHSICVPM-UHFFFAOYSA-N 2 1 239.363 0.864 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000396676186 711363119 /nfs/dbraw/zinc/36/31/19/711363119.db2.gz SZWDLEDUMABWNJ-OLZOCXBDSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000396645278 711363215 /nfs/dbraw/zinc/36/32/15/711363215.db2.gz BYKUTBHWONTIDL-MNOVXSKESA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000396707762 711366342 /nfs/dbraw/zinc/36/63/42/711366342.db2.gz NWOCVKZXVDQBRR-DMDPSCGWSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NCC1(O)CC[NH+](C)CC1 ZINC000397552786 711386996 /nfs/dbraw/zinc/38/69/96/711386996.db2.gz ZLRCCFWVEZTWRH-NEPJUHHUSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552786 711386998 /nfs/dbraw/zinc/38/69/98/711386998.db2.gz ZLRCCFWVEZTWRH-NEPJUHHUSA-N 3 1 241.379 0.173 20 0 BCADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCOC1 ZINC000397748366 711391072 /nfs/dbraw/zinc/39/10/72/711391072.db2.gz ZYTHQKDDPCRDSW-QSLWVIQJSA-N 2 1 234.343 0.919 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075108710 711445480 /nfs/dbraw/zinc/44/54/80/711445480.db2.gz FAPWAKBHSIPZMO-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723668677 711533207 /nfs/dbraw/zinc/53/32/07/711533207.db2.gz AKGDKUXHFMWRJL-LBPRGKRZSA-N 2 1 247.342 0.956 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723692463 711534147 /nfs/dbraw/zinc/53/41/47/711534147.db2.gz YETUFKYFXSMJST-VIFPVBQESA-N 2 1 210.281 0.549 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699875 711534941 /nfs/dbraw/zinc/53/49/41/711534941.db2.gz WGNMLAZSAHEJBT-JTQLQIEISA-N 2 1 214.309 0.610 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887807 711543703 /nfs/dbraw/zinc/54/37/03/711543703.db2.gz XUZSSTBNADTWKU-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000723961289 711547838 /nfs/dbraw/zinc/54/78/38/711547838.db2.gz CLIWYZDFYKPKDL-WDEREUQCSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1cn(C)nc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000723961289 711547841 /nfs/dbraw/zinc/54/78/41/711547841.db2.gz CLIWYZDFYKPKDL-WDEREUQCSA-N 2 1 222.336 0.898 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891922575 711558166 /nfs/dbraw/zinc/55/81/66/711558166.db2.gz FUGODDRXVIUPKB-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560879 711590780 /nfs/dbraw/zinc/59/07/80/711590780.db2.gz XMQJQPDCHARBPF-RXGFPQBGSA-N 2 1 240.347 0.317 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560875 711590813 /nfs/dbraw/zinc/59/08/13/711590813.db2.gz XMQJQPDCHARBPF-KVSVUVNWSA-N 2 1 240.347 0.317 20 0 BCADMP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000724563304 711592376 /nfs/dbraw/zinc/59/23/76/711592376.db2.gz MEFGOYIAKIYWIL-XQHKEYJVSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000724563304 711592378 /nfs/dbraw/zinc/59/23/78/711592378.db2.gz MEFGOYIAKIYWIL-XQHKEYJVSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724565596 711593080 /nfs/dbraw/zinc/59/30/80/711593080.db2.gz XWTNMCOKAPULRD-WXHSDQCUSA-N 2 1 240.347 0.474 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000724781177 711614283 /nfs/dbraw/zinc/61/42/83/711614283.db2.gz DELTYNVTZRHRFD-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP Cc1[nH]ncc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000724781177 711614285 /nfs/dbraw/zinc/61/42/85/711614285.db2.gz DELTYNVTZRHRFD-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP Cc1[nH]ncc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000724781177 711614287 /nfs/dbraw/zinc/61/42/87/711614287.db2.gz DELTYNVTZRHRFD-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP [NH3+]C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724916145 711627402 /nfs/dbraw/zinc/62/74/02/711627402.db2.gz SGJPYBOGKSXAER-LLVKDONJSA-N 2 1 214.309 0.215 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCO[C@H]1CCOC1)C2 ZINC000724942771 711632119 /nfs/dbraw/zinc/63/21/19/711632119.db2.gz IZXATCIWWFUERQ-RWMBFGLXSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000724942771 711632121 /nfs/dbraw/zinc/63/21/21/711632121.db2.gz IZXATCIWWFUERQ-RWMBFGLXSA-N 2 1 240.347 0.333 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)c1ncoc1C[NH3+] ZINC000721377617 711653005 /nfs/dbraw/zinc/65/30/05/711653005.db2.gz GCTQOXKLNCJZHD-UHFFFAOYSA-N 2 1 240.307 0.203 20 0 BCADMP COC(=O)[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000385294841 711688617 /nfs/dbraw/zinc/68/86/17/711688617.db2.gz CWQNJZGLEKMGQL-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP COC(=O)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000385294841 711688618 /nfs/dbraw/zinc/68/86/18/711688618.db2.gz CWQNJZGLEKMGQL-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP CC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396562495 711701890 /nfs/dbraw/zinc/70/18/90/711701890.db2.gz ILUMXSWYJNOZEQ-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125541908 711730239 /nfs/dbraw/zinc/73/02/39/711730239.db2.gz MHCBBCLUKGKVDM-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000336730336 711767231 /nfs/dbraw/zinc/76/72/31/711767231.db2.gz XXMHMURLQNJCIJ-LOWVWBTDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000336730336 711767233 /nfs/dbraw/zinc/76/72/33/711767233.db2.gz XXMHMURLQNJCIJ-LOWVWBTDSA-N 2 1 242.363 0.456 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160040483 711805537 /nfs/dbraw/zinc/80/55/37/711805537.db2.gz VYSOBWKLKZBVPD-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227707538 711832604 /nfs/dbraw/zinc/83/26/04/711832604.db2.gz FJAYZHYBSOPLSD-HBNTYKKESA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](C[N@@H+](C)CCOCC[NH3+])C(C)C ZINC000721922190 711937350 /nfs/dbraw/zinc/93/73/50/711937350.db2.gz VMPYYDIJFLRIRK-GFCCVEGCSA-N 2 1 232.368 0.812 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132122877 711954990 /nfs/dbraw/zinc/95/49/90/711954990.db2.gz SAMQWIIKDSHFFU-XDTLVQLUSA-N 2 1 236.315 0.728 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCO)CC[C@@H]1C(F)(F)F ZINC000700798232 712005677 /nfs/dbraw/zinc/00/56/77/712005677.db2.gz VXYQYGUVNPHWMH-SFYZADRCSA-N 2 1 226.242 0.438 20 0 BCADMP C[N@H+](Cc1cnccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000700086053 711985835 /nfs/dbraw/zinc/98/58/35/711985835.db2.gz WHWWXJOZFPCTSH-AOOOYVTPSA-N 2 1 206.293 0.646 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700403922 711992424 /nfs/dbraw/zinc/99/24/24/711992424.db2.gz QJBPHKPCFFMCKJ-CHWSQXEVSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033453809 711992475 /nfs/dbraw/zinc/99/24/75/711992475.db2.gz AAWYQHRIQYOHPA-LLVKDONJSA-N 2 1 236.319 0.505 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCO)CC[C@@H]1C(F)(F)F ZINC000700798232 712005675 /nfs/dbraw/zinc/00/56/75/712005675.db2.gz VXYQYGUVNPHWMH-SFYZADRCSA-N 2 1 226.242 0.438 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC000702054206 712037282 /nfs/dbraw/zinc/03/72/82/712037282.db2.gz TZZZKKJQOJBEPO-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702096849 712038945 /nfs/dbraw/zinc/03/89/45/712038945.db2.gz IFDYOIAKZDAZBG-CMPLNLGQSA-N 2 1 228.336 0.189 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC000702112186 712039483 /nfs/dbraw/zinc/03/94/83/712039483.db2.gz ZJFOJFPAODNTSM-GRYCIOLGSA-N 2 1 210.321 0.564 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473974 712054611 /nfs/dbraw/zinc/05/46/11/712054611.db2.gz MXZAJDIIHZNMPG-RWMBFGLXSA-N 2 1 242.363 0.315 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702473974 712054613 /nfs/dbraw/zinc/05/46/13/712054613.db2.gz MXZAJDIIHZNMPG-RWMBFGLXSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702629165 712056938 /nfs/dbraw/zinc/05/69/38/712056938.db2.gz QYEYNKXLQWXNGR-UWVGGRQHSA-N 2 1 232.755 0.803 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@@H]3CNOC3)CC[N@H+]2C1 ZINC000703308451 712072114 /nfs/dbraw/zinc/07/21/14/712072114.db2.gz CDOYFWYNQUASSM-GMTAPVOTSA-N 2 1 211.309 0.106 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703562598 712080717 /nfs/dbraw/zinc/08/07/17/712080717.db2.gz REXCFTUDFLCFFY-QWHCGFSZSA-N 2 1 234.347 0.504 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703562598 712080718 /nfs/dbraw/zinc/08/07/18/712080718.db2.gz REXCFTUDFLCFFY-QWHCGFSZSA-N 2 1 234.347 0.504 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000703753615 712085145 /nfs/dbraw/zinc/08/51/45/712085145.db2.gz SHHAXPORZXNUDU-FRRDWIJNSA-N 2 1 242.363 0.146 20 0 BCADMP c1nnc2n1CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000703805122 712089042 /nfs/dbraw/zinc/08/90/42/712089042.db2.gz GWCWNLZYTLAFJT-YOGCLGLASA-N 2 1 247.346 0.624 20 0 BCADMP c1nnc2n1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000703805122 712089043 /nfs/dbraw/zinc/08/90/43/712089043.db2.gz GWCWNLZYTLAFJT-YOGCLGLASA-N 2 1 247.346 0.624 20 0 BCADMP COC1CC(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000703875461 712091659 /nfs/dbraw/zinc/09/16/59/712091659.db2.gz PDIOWLQCLUSYNN-WNYYMSAVSA-N 2 1 228.336 0.459 20 0 BCADMP COC1CC(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000703875461 712091661 /nfs/dbraw/zinc/09/16/61/712091661.db2.gz PDIOWLQCLUSYNN-WNYYMSAVSA-N 2 1 228.336 0.459 20 0 BCADMP CC[C@H](C(N)=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705629494 712133328 /nfs/dbraw/zinc/13/33/28/712133328.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 1 239.363 0.524 20 0 BCADMP CCOC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805557 712135926 /nfs/dbraw/zinc/13/59/26/712135926.db2.gz DAGOQPGMDPBZCJ-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567662 712149691 /nfs/dbraw/zinc/14/96/91/712149691.db2.gz AFPRHAMFSPIXGF-QWRGUYRKSA-N 2 1 248.392 0.338 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000706766035 712154530 /nfs/dbraw/zinc/15/45/30/712154530.db2.gz BTWHWGMECDJISO-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000706766035 712154531 /nfs/dbraw/zinc/15/45/31/712154531.db2.gz BTWHWGMECDJISO-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708322105 712186324 /nfs/dbraw/zinc/18/63/24/712186324.db2.gz CHUXBZJUNWTBST-UWVGGRQHSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708322105 712186326 /nfs/dbraw/zinc/18/63/26/712186326.db2.gz CHUXBZJUNWTBST-UWVGGRQHSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708322109 712186390 /nfs/dbraw/zinc/18/63/90/712186390.db2.gz CHUXBZJUNWTBST-ZJUUUORDSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708322109 712186392 /nfs/dbraw/zinc/18/63/92/712186392.db2.gz CHUXBZJUNWTBST-ZJUUUORDSA-N 2 1 216.325 0.053 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446157 712194697 /nfs/dbraw/zinc/19/46/97/712194697.db2.gz NSWPDACDCMJXTL-UTUOFQBUSA-N 3 1 211.353 0.607 20 0 BCADMP CN(C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446157 712194698 /nfs/dbraw/zinc/19/46/98/712194698.db2.gz NSWPDACDCMJXTL-UTUOFQBUSA-N 2 1 211.353 0.607 20 0 BCADMP CN(C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446157 712194701 /nfs/dbraw/zinc/19/47/01/712194701.db2.gz NSWPDACDCMJXTL-UTUOFQBUSA-N 2 1 211.353 0.607 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709038925 712206211 /nfs/dbraw/zinc/20/62/11/712206211.db2.gz MUZRCTRPFXDUDX-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709038925 712206212 /nfs/dbraw/zinc/20/62/12/712206212.db2.gz MUZRCTRPFXDUDX-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@H+](C)C1)[NH2+]2 ZINC000709430425 712221800 /nfs/dbraw/zinc/22/18/00/712221800.db2.gz AJSODDFUPLXUCR-NZEXEKPDSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@@H+](C)C1)[NH2+]2 ZINC000709430425 712221803 /nfs/dbraw/zinc/22/18/03/712221803.db2.gz AJSODDFUPLXUCR-NZEXEKPDSA-N 2 1 223.364 0.809 20 0 BCADMP COC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709773739 712222178 /nfs/dbraw/zinc/22/21/78/712222178.db2.gz UHAUZZCSHMNNLV-LLVKDONJSA-N 2 1 230.352 0.410 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CC1)C2 ZINC000709826259 712228617 /nfs/dbraw/zinc/22/86/17/712228617.db2.gz MCSYXUSSFJFBOF-QXEWZRGKSA-N 2 1 223.320 0.077 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC1CC1)C2 ZINC000709826259 712228619 /nfs/dbraw/zinc/22/86/19/712228619.db2.gz MCSYXUSSFJFBOF-QXEWZRGKSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709842587 712229307 /nfs/dbraw/zinc/22/93/07/712229307.db2.gz MQCYXJOCFAAABG-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1COC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000710910898 712262379 /nfs/dbraw/zinc/26/23/79/712262379.db2.gz NBRXXFLENMGEFE-CMPLNLGQSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H](C(N)=O)[N@@H+](C)CCCCCC[NH3+] ZINC000711185563 712288122 /nfs/dbraw/zinc/28/81/22/712288122.db2.gz DHYLRAOVWOVHMO-VIFPVBQESA-N 2 1 201.314 0.311 20 0 BCADMP Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479806 712334275 /nfs/dbraw/zinc/33/42/75/712334275.db2.gz CXERTLZIYGGAOD-JTQLQIEISA-N 2 1 249.362 0.863 20 0 BCADMP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479806 712334276 /nfs/dbraw/zinc/33/42/76/712334276.db2.gz CXERTLZIYGGAOD-JTQLQIEISA-N 2 1 249.362 0.863 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480264 712334376 /nfs/dbraw/zinc/33/43/76/712334376.db2.gz HBJJNOKOLSQSMZ-NWDGAFQWSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923479154 712334515 /nfs/dbraw/zinc/33/45/15/712334515.db2.gz MSPCNOGZSNUXER-LLVKDONJSA-N 3 1 211.353 0.799 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478676 712334607 /nfs/dbraw/zinc/33/46/07/712334607.db2.gz GCRMNAQOAYJMBN-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478845 712334713 /nfs/dbraw/zinc/33/47/13/712334713.db2.gz HYJCWSVWIWJQGP-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP Nc1ncccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479649 712334750 /nfs/dbraw/zinc/33/47/50/712334750.db2.gz RJJBTCOXTRSVOO-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480381 712335036 /nfs/dbraw/zinc/33/50/36/712335036.db2.gz XYKQPQRWWVABFH-NXEZZACHSA-N 2 1 218.366 0.381 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080936156 712354170 /nfs/dbraw/zinc/35/41/70/712354170.db2.gz LGFQKPOJHSIIRJ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080936156 712354171 /nfs/dbraw/zinc/35/41/71/712354171.db2.gz LGFQKPOJHSIIRJ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080936156 712354174 /nfs/dbraw/zinc/35/41/74/712354174.db2.gz LGFQKPOJHSIIRJ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000379713912 712392566 /nfs/dbraw/zinc/39/25/66/712392566.db2.gz DIPRLFMCEWCTLH-LBPRGKRZSA-N 2 1 212.337 0.929 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712500048 712432243 /nfs/dbraw/zinc/43/22/43/712432243.db2.gz AKBXXALXQGAYGD-GFCCVEGCSA-N 2 1 242.363 0.995 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000712577585 712432945 /nfs/dbraw/zinc/43/29/45/712432945.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 1 241.379 0.125 20 0 BCADMP COC[C@@H](C[N@H+]1CC[NH2+]CCC1(C)C)OC ZINC000712586632 712434938 /nfs/dbraw/zinc/43/49/38/712434938.db2.gz BPUIBJRXJQNVGB-LLVKDONJSA-N 2 1 230.352 0.722 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668248 712439953 /nfs/dbraw/zinc/43/99/53/712439953.db2.gz HTXNKTBAWQUHBW-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000713183921 712453377 /nfs/dbraw/zinc/45/33/77/712453377.db2.gz AVSHTCXFNBAIKX-BBGACYKPSA-N 2 1 249.358 0.467 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713159905 712453405 /nfs/dbraw/zinc/45/34/05/712453405.db2.gz UAWQCHKYSZRBFD-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713159905 712453406 /nfs/dbraw/zinc/45/34/06/712453406.db2.gz UAWQCHKYSZRBFD-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713175045 712453581 /nfs/dbraw/zinc/45/35/81/712453581.db2.gz MDWFPYYARAXYNB-NSHDSACASA-N 2 1 212.337 0.975 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713240383 712456018 /nfs/dbraw/zinc/45/60/18/712456018.db2.gz RNOISTFDKYPFBI-MDZLAQPJSA-N 2 1 239.363 0.570 20 0 BCADMP COC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714432167 712486008 /nfs/dbraw/zinc/48/60/08/712486008.db2.gz XALBUHMEKPICHI-UHFFFAOYSA-N 2 1 228.336 0.856 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000714552309 712494052 /nfs/dbraw/zinc/49/40/52/712494052.db2.gz GDFYRKKOPLXCOE-SNVBAGLBSA-N 2 1 227.308 0.109 20 0 BCADMP CCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)nn1 ZINC000714902245 712499162 /nfs/dbraw/zinc/49/91/62/712499162.db2.gz MKQYXVVVAKFVLI-UHFFFAOYSA-N 2 1 235.335 0.650 20 0 BCADMP CCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)nn1 ZINC000714902245 712499163 /nfs/dbraw/zinc/49/91/63/712499163.db2.gz MKQYXVVVAKFVLI-UHFFFAOYSA-N 2 1 235.335 0.650 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715098158 712508988 /nfs/dbraw/zinc/50/89/88/712508988.db2.gz ZOYWOSBCUGBCOL-NSHDSACASA-N 2 1 239.319 0.933 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000716034163 712547292 /nfs/dbraw/zinc/54/72/92/712547292.db2.gz OTSFULSFHBHAGY-MNOVXSKESA-N 2 1 228.336 0.870 20 0 BCADMP CC[NH+]1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716760837 712573025 /nfs/dbraw/zinc/57/30/25/712573025.db2.gz PTTBNOIXHHYVER-UHFFFAOYSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000818610179 712590087 /nfs/dbraw/zinc/59/00/87/712590087.db2.gz ATBVXGBRNNYROO-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000818610179 712590088 /nfs/dbraw/zinc/59/00/88/712590088.db2.gz ATBVXGBRNNYROO-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925489832 712615640 /nfs/dbraw/zinc/61/56/40/712615640.db2.gz AOPCVFHLKMMUDV-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000930163219 712616047 /nfs/dbraw/zinc/61/60/47/712616047.db2.gz RFNVOGBNLFYPPS-RDDDGLTNSA-N 2 1 209.293 0.839 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000717172468 712638012 /nfs/dbraw/zinc/63/80/12/712638012.db2.gz WHRIOGMHIRNQIW-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CCc1cc(NC[C@H](O)C[NH+](C)C)nc(C)[nH+]1 ZINC000717368963 712652431 /nfs/dbraw/zinc/65/24/31/712652431.db2.gz XJRYKGHUWTTWDX-NSHDSACASA-N 2 1 238.335 0.682 20 0 BCADMP C[C@H](CO)C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717424171 712658417 /nfs/dbraw/zinc/65/84/17/712658417.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+](C)C1CC1 ZINC000221246874 712658540 /nfs/dbraw/zinc/65/85/40/712658540.db2.gz MQIBCTPKVVSINV-QMMMGPOBSA-N 2 1 210.325 0.745 20 0 BCADMP Cc1ccc(OCC[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000380046916 712684237 /nfs/dbraw/zinc/68/42/37/712684237.db2.gz UHAFGNUHUIBPQV-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP Cc1ccc(OCC[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000380046916 712684238 /nfs/dbraw/zinc/68/42/38/712684238.db2.gz UHAFGNUHUIBPQV-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)CC[N@@H+]1C ZINC000380123109 712688313 /nfs/dbraw/zinc/68/83/13/712688313.db2.gz RAVBLAKZPFKUCE-JLLWLGSASA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)CC[N@H+]1C ZINC000380123109 712688314 /nfs/dbraw/zinc/68/83/14/712688314.db2.gz RAVBLAKZPFKUCE-JLLWLGSASA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)CC[N@@H+]1C ZINC000380123120 712688431 /nfs/dbraw/zinc/68/84/31/712688431.db2.gz RAVBLAKZPFKUCE-USWWRNFRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)CC[N@H+]1C ZINC000380123120 712688432 /nfs/dbraw/zinc/68/84/32/712688432.db2.gz RAVBLAKZPFKUCE-USWWRNFRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)CC[N@@H+]1C ZINC000380123104 712688501 /nfs/dbraw/zinc/68/85/01/712688501.db2.gz RAVBLAKZPFKUCE-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)CC[N@H+]1C ZINC000380123104 712688504 /nfs/dbraw/zinc/68/85/04/712688504.db2.gz RAVBLAKZPFKUCE-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP CC1(C)[C@@H](O)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380162653 712703214 /nfs/dbraw/zinc/70/32/14/712703214.db2.gz VEXKYWJVCNJTSW-NEPJUHHUSA-N 2 1 242.363 0.288 20 0 BCADMP CC1(C)[C@@H](O)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380162653 712703216 /nfs/dbraw/zinc/70/32/16/712703216.db2.gz VEXKYWJVCNJTSW-NEPJUHHUSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](CCCC(C)(F)F)C[C@H](O)C[NH3+] ZINC000718721598 712778706 /nfs/dbraw/zinc/77/87/06/712778706.db2.gz ILSSQODUWAFUKM-MRVPVSSYSA-N 2 1 210.268 0.673 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887290 712780823 /nfs/dbraw/zinc/78/08/23/712780823.db2.gz LAFXKLUNCKENMC-CYBMUJFWSA-N 2 1 244.379 0.704 20 0 BCADMP NC(=O)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719248298 712801475 /nfs/dbraw/zinc/80/14/75/712801475.db2.gz PLVBCGGVTBQMSI-HSTDOPHLSA-N 2 1 237.347 0.324 20 0 BCADMP CC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720802377 712866540 /nfs/dbraw/zinc/86/65/40/712866540.db2.gz BONZIZPJTZBPRC-CIUDSAMLSA-N 2 1 240.269 0.826 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720808368 712866924 /nfs/dbraw/zinc/86/69/24/712866924.db2.gz WCKOWHCNDWYGGR-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000720850324 712870710 /nfs/dbraw/zinc/87/07/10/712870710.db2.gz QLISMQQBCKGGFN-DMDPSCGWSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720870138 712871864 /nfs/dbraw/zinc/87/18/64/712871864.db2.gz KTNRBRYYCOLLJR-WHOHXGKFSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720870138 712871865 /nfs/dbraw/zinc/87/18/65/712871865.db2.gz KTNRBRYYCOLLJR-WHOHXGKFSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900114 712875200 /nfs/dbraw/zinc/87/52/00/712875200.db2.gz OTFKHKBOYUATMO-OUAUKWLOSA-N 2 1 223.320 0.043 20 0 BCADMP O[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000720893625 712875759 /nfs/dbraw/zinc/87/57/59/712875759.db2.gz OJWXEDZOSYKUIN-RVMXOQNASA-N 2 1 224.348 0.974 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901465 712875853 /nfs/dbraw/zinc/87/58/53/712875853.db2.gz SALRTASNGGPNAT-KXNHARMFSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720897456 712876316 /nfs/dbraw/zinc/87/63/16/712876316.db2.gz HSURDQRJWJVYGB-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720896709 712876322 /nfs/dbraw/zinc/87/63/22/712876322.db2.gz DHSIGCVARHPOKH-IJLUTSLNSA-N 2 1 239.363 0.665 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896453 712876362 /nfs/dbraw/zinc/87/63/62/712876362.db2.gz DGHKLVVFSITYJB-UWVGGRQHSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720897473 712876997 /nfs/dbraw/zinc/87/69/97/712876997.db2.gz HSURDQRJWJVYGB-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000721051037 712888664 /nfs/dbraw/zinc/88/86/64/712888664.db2.gz VONJMTWJYGBBEK-ZNSHCXBVSA-N 2 1 225.336 0.038 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721076229 712890096 /nfs/dbraw/zinc/89/00/96/712890096.db2.gz WRDDXHHDJYSMPD-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721076229 712890098 /nfs/dbraw/zinc/89/00/98/712890098.db2.gz WRDDXHHDJYSMPD-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318506 398141866 /nfs/dbraw/zinc/14/18/66/398141866.db2.gz QYSNYWPBAKIRIB-KKOKHZNYSA-N 2 1 239.363 0.583 20 0 BCADMP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000649322681 398144695 /nfs/dbraw/zinc/14/46/95/398144695.db2.gz FXMNVEVMQZDPCZ-MGAJPHDKSA-N 2 1 249.358 0.432 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CCNC(=O)CC1 ZINC000161616816 349476548 /nfs/dbraw/zinc/47/65/48/349476548.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CCNC(=O)CC1 ZINC000161616967 349476928 /nfs/dbraw/zinc/47/69/28/349476928.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000257754616 349483684 /nfs/dbraw/zinc/48/36/84/349483684.db2.gz ZONBYVUMSSRKNI-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000422941655 398159330 /nfs/dbraw/zinc/15/93/30/398159330.db2.gz VGONUYSHYKTRDK-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H](CCO)[NH+](C)CCC[N@H+](C)[C@@H](C)CCO ZINC000649869720 398155795 /nfs/dbraw/zinc/15/57/95/398155795.db2.gz KPJJNHIHRDZFLC-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@H](CCO)[N@@H+](C)CCC[NH+](C)[C@@H](C)CCO ZINC000649869720 398155797 /nfs/dbraw/zinc/15/57/97/398155797.db2.gz KPJJNHIHRDZFLC-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@H](CCO)[N@H+](C)CCC[NH+](C)[C@@H](C)CCO ZINC000649869720 398155802 /nfs/dbraw/zinc/15/58/02/398155802.db2.gz KPJJNHIHRDZFLC-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341573 398157648 /nfs/dbraw/zinc/15/76/48/398157648.db2.gz INNNRDHAYAPGRS-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000379831873 398170531 /nfs/dbraw/zinc/17/05/31/398170531.db2.gz BLFYNMKIWLOXCG-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000379831873 398170534 /nfs/dbraw/zinc/17/05/34/398170534.db2.gz BLFYNMKIWLOXCG-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000415094651 398160298 /nfs/dbraw/zinc/16/02/98/398160298.db2.gz FGKUEDYMSABICU-RWMBFGLXSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@H+]1C1CC1 ZINC000649348145 398161747 /nfs/dbraw/zinc/16/17/47/398161747.db2.gz AEBNGQIYOWIDST-QTCIEIIFSA-N 2 1 249.358 0.478 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348468 398162319 /nfs/dbraw/zinc/16/23/19/398162319.db2.gz LRDKJXYBIUMOGJ-ZMHPAJMFSA-N 2 1 249.358 0.051 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1C1CC1 ZINC000649348483 398162602 /nfs/dbraw/zinc/16/26/02/398162602.db2.gz MBUJQNJZNPJONZ-WXDOIIRRSA-N 2 1 249.358 0.193 20 0 BCADMP CCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396737558 398167067 /nfs/dbraw/zinc/16/70/67/398167067.db2.gz LVADBDQHJUJQDI-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000235433275 398186576 /nfs/dbraw/zinc/18/65/76/398186576.db2.gz XNZOOQMFNJFOLO-GFCCVEGCSA-N 2 1 225.336 0.183 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000380112028 398187268 /nfs/dbraw/zinc/18/72/68/398187268.db2.gz KWXNJYSLNBPRHQ-RYUDHWBXSA-N 2 1 242.363 0.730 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000380112028 398187272 /nfs/dbraw/zinc/18/72/72/398187272.db2.gz KWXNJYSLNBPRHQ-RYUDHWBXSA-N 2 1 242.363 0.730 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000584239839 398184161 /nfs/dbraw/zinc/18/41/61/398184161.db2.gz OBJNYIFUQMIBFD-MWLCHTKSSA-N 2 1 226.324 0.373 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000649371122 398185246 /nfs/dbraw/zinc/18/52/46/398185246.db2.gz MJLMINFMSQZBGK-HBNTYKKESA-N 2 1 227.352 0.713 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336706888 398204481 /nfs/dbraw/zinc/20/44/81/398204481.db2.gz RPEMKVAPSLUAQZ-LLVKDONJSA-N 2 1 214.309 0.610 20 0 BCADMP Cn1ccnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724214 398213740 /nfs/dbraw/zinc/21/37/40/398213740.db2.gz RWIRNANZVUCKCC-NSHDSACASA-N 2 1 222.336 0.981 20 0 BCADMP Cc1cc(C)n(CC[N@@H+](C)CCC[NH3+])n1 ZINC000386731428 398218006 /nfs/dbraw/zinc/21/80/06/398218006.db2.gz BGMCAIDBUIEWAW-UHFFFAOYSA-N 2 1 210.325 0.781 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCN1CCOCC1 ZINC000430564828 398227520 /nfs/dbraw/zinc/22/75/20/398227520.db2.gz CPNJLBPVWUUSMM-CYBMUJFWSA-N 2 1 243.395 0.672 20 0 BCADMP C[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563909 398228259 /nfs/dbraw/zinc/22/82/59/398228259.db2.gz XYRDOUNNWFLZOS-MWLCHTKSSA-N 2 1 248.392 0.384 20 0 BCADMP C[C@H](CN)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643519228 398232939 /nfs/dbraw/zinc/23/29/39/398232939.db2.gz HYBPAZZQPXLWLF-NXEZZACHSA-N 2 1 246.318 0.660 20 0 BCADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643519228 398232942 /nfs/dbraw/zinc/23/29/42/398232942.db2.gz HYBPAZZQPXLWLF-NXEZZACHSA-N 2 1 246.318 0.660 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC000629951714 361800302 /nfs/dbraw/zinc/80/03/02/361800302.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000629951714 361800306 /nfs/dbraw/zinc/80/03/06/361800306.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000629951714 361800310 /nfs/dbraw/zinc/80/03/10/361800310.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418437083 192036126 /nfs/dbraw/zinc/03/61/26/192036126.db2.gz XUXJTVJBIPFJRD-UHFFFAOYSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](C)C1)C1CCC1 ZINC000629951140 361795958 /nfs/dbraw/zinc/79/59/58/361795958.db2.gz PTUOQIZPIPDOMG-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000629951140 361795962 /nfs/dbraw/zinc/79/59/62/361795962.db2.gz PTUOQIZPIPDOMG-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000629951140 361795965 /nfs/dbraw/zinc/79/59/65/361795965.db2.gz PTUOQIZPIPDOMG-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC(O)(C[NH2+]Cc2cscn2)CC1 ZINC000336775739 398237517 /nfs/dbraw/zinc/23/75/17/398237517.db2.gz ZVFISIYAAMOALQ-UHFFFAOYSA-N 2 1 241.360 0.689 20 0 BCADMP CCCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576481322 365608725 /nfs/dbraw/zinc/60/87/25/365608725.db2.gz UQGGAWDEWWEOBX-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000381253837 398244186 /nfs/dbraw/zinc/24/41/86/398244186.db2.gz PJSYVQFAKDPKIB-JQWIXIFHSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000576515222 365615144 /nfs/dbraw/zinc/61/51/44/365615144.db2.gz FJNZKZDQIUKBAF-OUAUKWLOSA-N 2 1 225.336 0.134 20 0 BCADMP Cc1nccn1CCC[N@@H+](C)CCC[NH3+] ZINC000381459031 398253684 /nfs/dbraw/zinc/25/36/84/398253684.db2.gz KKEWCNPLJUVJNA-UHFFFAOYSA-N 2 1 210.325 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[NH3+] ZINC000381459031 398253685 /nfs/dbraw/zinc/25/36/85/398253685.db2.gz KKEWCNPLJUVJNA-UHFFFAOYSA-N 3 1 210.325 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[NH3+] ZINC000381459031 398253687 /nfs/dbraw/zinc/25/36/87/398253687.db2.gz KKEWCNPLJUVJNA-UHFFFAOYSA-N 3 1 210.325 0.862 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000220011809 136230521 /nfs/dbraw/zinc/23/05/21/136230521.db2.gz SJWXHBNEDOMPSW-LLVKDONJSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036190076 398257547 /nfs/dbraw/zinc/25/75/47/398257547.db2.gz CBOGWHJZRVWRJA-GFCCVEGCSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000381540731 398262436 /nfs/dbraw/zinc/26/24/36/398262436.db2.gz IMBFUBXWYWVDLG-NWDGAFQWSA-N 3 1 213.369 0.901 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000381540731 398262438 /nfs/dbraw/zinc/26/24/38/398262438.db2.gz IMBFUBXWYWVDLG-NWDGAFQWSA-N 3 1 213.369 0.901 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1(F)CC1 ZINC000381579481 398264767 /nfs/dbraw/zinc/26/47/67/398264767.db2.gz DVDAMIAWELLESU-UHFFFAOYSA-N 2 1 215.316 0.326 20 0 BCADMP O=C(C[NH2+]C1CC1)N1CC[NH+](C2CCC2)CC1 ZINC000378754029 346823896 /nfs/dbraw/zinc/82/38/96/346823896.db2.gz RJENCBPGBRUGLD-UHFFFAOYSA-N 2 1 237.347 0.435 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400399425 529378521 /nfs/dbraw/zinc/37/85/21/529378521.db2.gz PJURWBWCSVZRIM-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000165436450 361840820 /nfs/dbraw/zinc/84/08/20/361840820.db2.gz KEDFNDNBRSLJEN-RKDXNWHRSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165422595 361841064 /nfs/dbraw/zinc/84/10/64/361841064.db2.gz OFOAUTAFIAEXLA-DTWKUNHWSA-N 2 1 201.314 0.038 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852375 398279201 /nfs/dbraw/zinc/27/92/01/398279201.db2.gz TWISESGBUKGGFS-NEPJUHHUSA-N 3 1 211.353 0.527 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852375 398279203 /nfs/dbraw/zinc/27/92/03/398279203.db2.gz TWISESGBUKGGFS-NEPJUHHUSA-N 3 1 211.353 0.527 20 0 BCADMP C[C@@H]1CN(C(=O)NCC[NH3+])CC[N@H+](C2CC2)C1 ZINC000335610446 136236712 /nfs/dbraw/zinc/23/67/12/136236712.db2.gz XMHKFIXKTRJXRL-JTQLQIEISA-N 2 1 240.351 0.071 20 0 BCADMP C[NH+](C)C1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629990479 361877088 /nfs/dbraw/zinc/87/70/88/361877088.db2.gz UKZQUJWVMGEEON-UHFFFAOYSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC000630000595 361886486 /nfs/dbraw/zinc/88/64/86/361886486.db2.gz MOCNSTYFWIOZFK-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438628 398288250 /nfs/dbraw/zinc/28/82/50/398288250.db2.gz TUYJVEMXPNLSOC-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)C ZINC000131249728 323012791 /nfs/dbraw/zinc/01/27/91/323012791.db2.gz LGJNGUWSLXCDPW-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CNCCO1 ZINC000400007454 398290051 /nfs/dbraw/zinc/29/00/51/398290051.db2.gz SPSWSKOCLROYCW-WDEREUQCSA-N 2 1 230.377 0.802 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624778153 342828120 /nfs/dbraw/zinc/82/81/20/342828120.db2.gz XKVMINHQMFJBRU-NSHDSACASA-N 2 1 221.304 0.290 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)CC1CC[NH2+]CC1 ZINC000379864744 538980968 /nfs/dbraw/zinc/98/09/68/538980968.db2.gz NPLBKVHPJSFINJ-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417818952 398293847 /nfs/dbraw/zinc/29/38/47/398293847.db2.gz SURCBQOUXAMJRQ-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417820338 398294087 /nfs/dbraw/zinc/29/40/87/398294087.db2.gz USNDIBQGGJNFOU-UHFFFAOYSA-N 2 1 244.383 0.755 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417822336 398294465 /nfs/dbraw/zinc/29/44/65/398294465.db2.gz WXYATDDMMVQYJU-LLVKDONJSA-N 2 1 244.383 0.612 20 0 BCADMP Cn1ccc(C[N@@H+](C)CCC[NH3+])cc1=O ZINC000381995888 398294922 /nfs/dbraw/zinc/29/49/22/398294922.db2.gz XQYYMHXBKNPUIH-UHFFFAOYSA-N 2 1 209.293 0.166 20 0 BCADMP Cc1n[nH]cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000389900085 539018194 /nfs/dbraw/zinc/01/81/94/539018194.db2.gz CJEBIWOCJAECFI-GHMZBOCLSA-N 2 1 206.293 0.369 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[NH3+] ZINC000037050650 398300515 /nfs/dbraw/zinc/30/05/15/398300515.db2.gz FURMDKMBABWWSI-UHFFFAOYSA-N 2 1 238.335 0.814 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000167340295 136245696 /nfs/dbraw/zinc/24/56/96/136245696.db2.gz BHULJQABRSTKKV-WPRPVWTQSA-N 2 1 213.325 0.323 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnn1C ZINC000401702157 342908850 /nfs/dbraw/zinc/90/88/50/342908850.db2.gz AOTJPBPUXUIIBT-UHFFFAOYSA-N 2 1 219.292 0.486 20 0 BCADMP [NH3+]Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000116596786 342929600 /nfs/dbraw/zinc/92/96/00/342929600.db2.gz KTRPWDOWILGOPG-UHFFFAOYSA-N 2 1 219.332 0.987 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000418583832 192053383 /nfs/dbraw/zinc/05/33/83/192053383.db2.gz ATXJBCXALGQJGT-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164995605 529441344 /nfs/dbraw/zinc/44/13/44/529441344.db2.gz QOYNFWIKKGVYEU-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164995741 529441854 /nfs/dbraw/zinc/44/18/54/529441854.db2.gz QOYNFWIKKGVYEU-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616059 398332614 /nfs/dbraw/zinc/33/26/14/398332614.db2.gz OFKKFRAXBJHXOV-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827030 398334718 /nfs/dbraw/zinc/33/47/18/398334718.db2.gz CYKVVUVCDODKNV-VIFPVBQESA-N 2 1 211.309 0.030 20 0 BCADMP COC[C@H](C)C[N@@H+](CCO)C1CCN(C)CC1 ZINC000189502645 346891179 /nfs/dbraw/zinc/89/11/79/346891179.db2.gz KXYQDTRRIRYPDK-GFCCVEGCSA-N 2 1 244.379 0.657 20 0 BCADMP C[NH+]1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000020305971 342981206 /nfs/dbraw/zinc/98/12/06/342981206.db2.gz ORAFHJTZWKNHLZ-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP CC/C=C/C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384730102 344022482 /nfs/dbraw/zinc/02/24/82/344022482.db2.gz AZPCGOIUKXEILD-PCAWENJQSA-N 2 1 212.337 0.999 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)CC1)C1CC1 ZINC000309103342 259342393 /nfs/dbraw/zinc/34/23/93/259342393.db2.gz KNEJMZUGSKUJTO-LLVKDONJSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)CC1)C1CC1 ZINC000309103342 259342394 /nfs/dbraw/zinc/34/23/94/259342394.db2.gz KNEJMZUGSKUJTO-LLVKDONJSA-N 2 1 212.337 0.831 20 0 BCADMP CC(=O)NCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377390498 187225545 /nfs/dbraw/zinc/22/55/45/187225545.db2.gz JVSMREPSQNGFOH-CYBMUJFWSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H](C)O ZINC000400481634 529665683 /nfs/dbraw/zinc/66/56/83/529665683.db2.gz WGHWFQQJWDIIHY-RCWTZXSCSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@H]1CCCC[NH2+]1 ZINC000562956764 323035137 /nfs/dbraw/zinc/03/51/37/323035137.db2.gz FLDBZNHWNWKXDW-FVCCEPFGSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000092956348 343150235 /nfs/dbraw/zinc/15/02/35/343150235.db2.gz KGDFTQXJXFQISV-SRVKXCTJSA-N 2 1 239.363 0.442 20 0 BCADMP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216157 343151138 /nfs/dbraw/zinc/15/11/38/343151138.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 2 1 240.395 0.092 20 0 BCADMP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216157 343151140 /nfs/dbraw/zinc/15/11/40/343151140.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 2 1 240.395 0.092 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCOCC1 ZINC000133614761 343185555 /nfs/dbraw/zinc/18/55/55/343185555.db2.gz NBGRMQFBHCHYAC-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000148069856 343196096 /nfs/dbraw/zinc/19/60/96/343196096.db2.gz WZRWVNJSNBQBJM-LLVKDONJSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634683659 343205432 /nfs/dbraw/zinc/20/54/32/343205432.db2.gz WUGILWMRRZUZIA-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634683659 343205435 /nfs/dbraw/zinc/20/54/35/343205435.db2.gz WUGILWMRRZUZIA-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1CC[N@@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779760 343209547 /nfs/dbraw/zinc/20/95/47/343209547.db2.gz PTKYRODKOMMLAX-STQMWFEESA-N 2 1 241.379 0.235 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779641 343209620 /nfs/dbraw/zinc/20/96/20/343209620.db2.gz PTKYRODKOMMLAX-OLZOCXBDSA-N 2 1 241.379 0.235 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000168554453 343210554 /nfs/dbraw/zinc/21/05/54/343210554.db2.gz JGYQQNHSPUJMFZ-LPEHRKFASA-N 2 1 213.325 0.132 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000569723312 323038732 /nfs/dbraw/zinc/03/87/32/323038732.db2.gz JDTGUVBDJCIVHO-CMPLNLGQSA-N 2 1 227.352 0.442 20 0 BCADMP Cn1nccc1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634687979 343244858 /nfs/dbraw/zinc/24/48/58/343244858.db2.gz FACMFIFCVFKCDM-YPMHNXCESA-N 2 1 234.347 0.694 20 0 BCADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000634687832 343245128 /nfs/dbraw/zinc/24/51/28/343245128.db2.gz ANCVDNZUFBWRJL-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000634687833 343245164 /nfs/dbraw/zinc/24/51/64/343245164.db2.gz ANCVDNZUFBWRJL-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+][C@H]1CCN(CCC[NH+]2CCOCC2)C1 ZINC000070585011 136278573 /nfs/dbraw/zinc/27/85/73/136278573.db2.gz HPECIETUGURZHS-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000634688255 343246555 /nfs/dbraw/zinc/24/65/55/343246555.db2.gz NGNWUBDIBMRLQA-GHMZBOCLSA-N 2 1 222.336 0.489 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccnn1C ZINC000634688214 343246589 /nfs/dbraw/zinc/24/65/89/343246589.db2.gz LWWMCCZDRWLSMR-NQBHXWOUSA-N 2 1 236.363 0.939 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000069665325 343288017 /nfs/dbraw/zinc/28/80/17/343288017.db2.gz CQRYEJJQJHJJFT-KOLCDFICSA-N 2 1 200.326 0.687 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000070589347 343333551 /nfs/dbraw/zinc/33/35/51/343333551.db2.gz DRBBHYRMBUKRIG-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000069839431 343292445 /nfs/dbraw/zinc/29/24/45/343292445.db2.gz CJQUYKZSRQOZAG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000069839434 343292511 /nfs/dbraw/zinc/29/25/11/343292511.db2.gz CJQUYKZSRQOZAG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000584064140 343313018 /nfs/dbraw/zinc/31/30/18/343313018.db2.gz PUGQKCGSJGGZFK-ZYHUDNBSSA-N 3 1 211.353 0.988 20 0 BCADMP CCC[NH+]1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC000037207476 343339238 /nfs/dbraw/zinc/33/92/38/343339238.db2.gz BYLFUMMCLAWQBB-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000166233514 136315834 /nfs/dbraw/zinc/31/58/34/136315834.db2.gz HRSAEMWTIPFGPL-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000166233514 136315835 /nfs/dbraw/zinc/31/58/35/136315835.db2.gz HRSAEMWTIPFGPL-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C)CC[N@H+]1C ZINC000335687494 136323876 /nfs/dbraw/zinc/32/38/76/136323876.db2.gz AIJRADXBQLFFAG-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000082419861 343440782 /nfs/dbraw/zinc/44/07/82/343440782.db2.gz RJZNSPMAGCBQSP-GFCCVEGCSA-N 2 1 212.337 0.954 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000335683022 136329260 /nfs/dbraw/zinc/32/92/60/136329260.db2.gz PQRGKXSGFCOMDX-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000335683022 136329261 /nfs/dbraw/zinc/32/92/61/136329261.db2.gz PQRGKXSGFCOMDX-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP C[NH2+]Cc1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150015 362240378 /nfs/dbraw/zinc/24/03/78/362240378.db2.gz RVJKUHPPGQZDGI-UHFFFAOYSA-N 2 1 234.307 0.593 20 0 BCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCO)C1 ZINC000350244463 136357080 /nfs/dbraw/zinc/35/70/80/136357080.db2.gz CWZNMNXJZOGROW-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CO)[C@H](C)C1 ZINC000166822259 136364305 /nfs/dbraw/zinc/36/43/05/136364305.db2.gz AMSMNRKEOMHBLC-UTUOFQBUSA-N 2 1 214.353 0.935 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000260219625 136374258 /nfs/dbraw/zinc/37/42/58/136374258.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000260219625 136374259 /nfs/dbraw/zinc/37/42/59/136374259.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000260219625 136374260 /nfs/dbraw/zinc/37/42/60/136374260.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000616489345 343475969 /nfs/dbraw/zinc/47/59/69/343475969.db2.gz YFZUQSKEEZXEPE-SRVKXCTJSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355282 343462006 /nfs/dbraw/zinc/46/20/06/343462006.db2.gz IEFOZWVKXOVJDM-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355282 343462009 /nfs/dbraw/zinc/46/20/09/343462009.db2.gz IEFOZWVKXOVJDM-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355282 343462010 /nfs/dbraw/zinc/46/20/10/343462010.db2.gz IEFOZWVKXOVJDM-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355282 343462012 /nfs/dbraw/zinc/46/20/12/343462012.db2.gz IEFOZWVKXOVJDM-VXGBXAGGSA-N 2 1 244.379 0.392 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000310394026 343469481 /nfs/dbraw/zinc/46/94/81/343469481.db2.gz HABSWZPYLAREHV-LBPRGKRZSA-N 2 1 236.319 0.450 20 0 BCADMP C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000043427992 343471094 /nfs/dbraw/zinc/47/10/94/343471094.db2.gz PFQVVSKRPSYPQJ-CHWSQXEVSA-N 2 1 239.363 0.145 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@@H]1C ZINC000310486445 343509808 /nfs/dbraw/zinc/50/98/08/343509808.db2.gz DZZIUBSZTOJVJC-AVGNSLFASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000310486445 343509812 /nfs/dbraw/zinc/50/98/12/343509812.db2.gz DZZIUBSZTOJVJC-AVGNSLFASA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000310486445 343509814 /nfs/dbraw/zinc/50/98/14/343509814.db2.gz DZZIUBSZTOJVJC-AVGNSLFASA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000380004297 365794841 /nfs/dbraw/zinc/79/48/41/365794841.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000380004297 365794845 /nfs/dbraw/zinc/79/48/45/365794845.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000380004297 365794848 /nfs/dbraw/zinc/79/48/48/365794848.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000380004303 365795399 /nfs/dbraw/zinc/79/53/99/365795399.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000380004303 365795406 /nfs/dbraw/zinc/79/54/06/365795406.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000380004303 365795412 /nfs/dbraw/zinc/79/54/12/365795412.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](CC(C)C)C[C@@H](O)CN(C)CCOC ZINC000380121667 343681086 /nfs/dbraw/zinc/68/10/86/343681086.db2.gz BVPGSOUOQNHHQM-ZDUSSCGKSA-N 2 1 246.395 0.903 20 0 BCADMP C[C@@H](NC(=O)NCC[N@@H+]1CC=CCC1)[C@H](C)[NH3+] ZINC000418732560 192064666 /nfs/dbraw/zinc/06/46/66/192064666.db2.gz UUPDESOIXQKTHX-WDEREUQCSA-N 2 1 240.351 0.283 20 0 BCADMP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052041553 187271107 /nfs/dbraw/zinc/27/11/07/187271107.db2.gz JUPYGXKXSVMELN-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418732557 192064996 /nfs/dbraw/zinc/06/49/96/192064996.db2.gz UUPDESOIXQKTHX-GHMZBOCLSA-N 2 1 240.351 0.283 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418732999 192065052 /nfs/dbraw/zinc/06/50/52/192065052.db2.gz UZHFOIAZHWQZDB-NXEZZACHSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637346 349860921 /nfs/dbraw/zinc/86/09/21/349860921.db2.gz INDQVYNDVMPBDX-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000262133544 349853010 /nfs/dbraw/zinc/85/30/10/349853010.db2.gz NBWWPAZRYQPODY-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261651734 349854396 /nfs/dbraw/zinc/85/43/96/349854396.db2.gz HIVPROXZAQFOSF-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418727010 192065201 /nfs/dbraw/zinc/06/52/01/192065201.db2.gz MBYOLPDADCNFKU-OUAUKWLOSA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@@](C)([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641166649 362250517 /nfs/dbraw/zinc/25/05/17/362250517.db2.gz XBZYKMXYSVLWNM-GFCCVEGCSA-N 2 1 246.318 0.888 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000381034806 343809959 /nfs/dbraw/zinc/80/99/59/343809959.db2.gz AEEDCWKSQCJYKS-GFCCVEGCSA-N 3 1 213.369 0.949 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000594869860 537825973 /nfs/dbraw/zinc/82/59/73/537825973.db2.gz ARCMPHYGUZWYND-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000594869860 537825982 /nfs/dbraw/zinc/82/59/82/537825982.db2.gz ARCMPHYGUZWYND-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000594869860 537825992 /nfs/dbraw/zinc/82/59/92/537825992.db2.gz ARCMPHYGUZWYND-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000040923621 187354928 /nfs/dbraw/zinc/35/49/28/187354928.db2.gz YCMUNSWNVOABIU-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000040923621 187354931 /nfs/dbraw/zinc/35/49/31/187354931.db2.gz YCMUNSWNVOABIU-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP CC(C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040922648 187355060 /nfs/dbraw/zinc/35/50/60/187355060.db2.gz PYZOMOXTUIFUMC-VIFPVBQESA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[C@H]([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641173037 362252943 /nfs/dbraw/zinc/25/29/43/362252943.db2.gz IMVALRRGOMITFF-LBPRGKRZSA-N 2 1 248.334 0.910 20 0 BCADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070559341 343952565 /nfs/dbraw/zinc/95/25/65/343952565.db2.gz GDAGKIFWJRYYNR-JTQLQIEISA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625789986 344077425 /nfs/dbraw/zinc/07/74/25/344077425.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625789986 344077426 /nfs/dbraw/zinc/07/74/26/344077426.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625789986 344077429 /nfs/dbraw/zinc/07/74/29/344077429.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625789986 344077431 /nfs/dbraw/zinc/07/74/31/344077431.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 2 1 244.379 0.656 20 0 BCADMP Cc1ncc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634744905 344166512 /nfs/dbraw/zinc/16/65/12/344166512.db2.gz OSRYBBRXXGAZLF-PHIMTYICSA-N 2 1 221.304 0.807 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC000518359290 344210504 /nfs/dbraw/zinc/21/05/04/344210504.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000518359290 344210506 /nfs/dbraw/zinc/21/05/06/344210506.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000518359290 344210508 /nfs/dbraw/zinc/21/05/08/344210508.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CC1CCC(O)(C[NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000087062603 344227627 /nfs/dbraw/zinc/22/76/27/344227627.db2.gz AOSWNFAWTDFCNX-OTTFEQOBSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCC[C@H](C)[NH3+] ZINC000622044972 344229468 /nfs/dbraw/zinc/22/94/68/344229468.db2.gz YZDLLPWKMBKROS-AXFHLTTASA-N 2 1 215.341 0.080 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC[C@H]1CCOC1 ZINC000400616404 529964576 /nfs/dbraw/zinc/96/45/76/529964576.db2.gz IZTIGNHGTFZCDZ-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869590 344242553 /nfs/dbraw/zinc/24/25/53/344242553.db2.gz WXTUGHXPIPHWIY-NSHDSACASA-N 2 1 236.319 0.302 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000625869590 344242554 /nfs/dbraw/zinc/24/25/54/344242554.db2.gz WXTUGHXPIPHWIY-NSHDSACASA-N 2 1 236.319 0.302 20 0 BCADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CSC[NH2+]1 ZINC000131838436 344334788 /nfs/dbraw/zinc/33/47/88/344334788.db2.gz IGSCDDFUGBLUAC-ZJUUUORDSA-N 2 1 243.376 0.155 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000600709056 344361225 /nfs/dbraw/zinc/36/12/25/344361225.db2.gz NXFOCDQSEJAQLA-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)CC)C[C@@H]1O ZINC000400090027 344302112 /nfs/dbraw/zinc/30/21/12/344302112.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)C[C@@H]1O ZINC000400090027 344302114 /nfs/dbraw/zinc/30/21/14/344302114.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@@H]1O ZINC000400090027 344302117 /nfs/dbraw/zinc/30/21/17/344302117.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@@H]1O ZINC000400090027 344302118 /nfs/dbraw/zinc/30/21/18/344302118.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@H]1O ZINC000400090027 344302119 /nfs/dbraw/zinc/30/21/19/344302119.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@H]1O ZINC000400090027 344302120 /nfs/dbraw/zinc/30/21/20/344302120.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368302 347050870 /nfs/dbraw/zinc/05/08/70/347050870.db2.gz WNTZNJBPIKXUJE-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641413822 362404817 /nfs/dbraw/zinc/40/48/17/362404817.db2.gz QAUWYKJPSGXBAF-QWRGUYRKSA-N 2 1 242.367 0.315 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672754382 488265532 /nfs/dbraw/zinc/26/55/32/488265532.db2.gz NTLQBRRBFBQECZ-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH3+])CC1 ZINC000037825966 344593315 /nfs/dbraw/zinc/59/33/15/344593315.db2.gz JGNMTHUXXOBQBC-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816786 344595233 /nfs/dbraw/zinc/59/52/33/344595233.db2.gz GPGITRJUXBHGJR-LBPRGKRZSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423672 362408181 /nfs/dbraw/zinc/40/81/81/362408181.db2.gz DNRIWVRFLPEXGX-QWRGUYRKSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000641425684 362412397 /nfs/dbraw/zinc/41/23/97/362412397.db2.gz QTBPNINIZLRYNN-BBBLOLIVSA-N 2 1 228.340 0.068 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000237067326 344588819 /nfs/dbraw/zinc/58/88/19/344588819.db2.gz DXMLAUDGRCPYCT-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP Fc1cnccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000641488556 362456422 /nfs/dbraw/zinc/45/64/22/362456422.db2.gz IVNALBVLCZGRDH-SNVBAGLBSA-N 2 1 237.278 0.742 20 0 BCADMP Fc1cnccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000641488556 362456428 /nfs/dbraw/zinc/45/64/28/362456428.db2.gz IVNALBVLCZGRDH-SNVBAGLBSA-N 2 1 237.278 0.742 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](C)[NH3+])C[C@@H]1C ZINC000641493726 362459983 /nfs/dbraw/zinc/45/99/83/362459983.db2.gz PLXWGTNFYIMWET-DCAQKATOSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000641494345 362461188 /nfs/dbraw/zinc/46/11/88/362461188.db2.gz VIYVZTQLNMADID-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CCO)C1CC1 ZINC000050104129 344720741 /nfs/dbraw/zinc/72/07/41/344720741.db2.gz VUDRBPOJXBVNGG-UHFFFAOYSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CCO)C1CC1 ZINC000050104129 344720742 /nfs/dbraw/zinc/72/07/42/344720742.db2.gz VUDRBPOJXBVNGG-UHFFFAOYSA-N 2 1 209.293 0.648 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661766648 537855077 /nfs/dbraw/zinc/85/50/77/537855077.db2.gz GZULAGINDAJTPB-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661766648 537855086 /nfs/dbraw/zinc/85/50/86/537855086.db2.gz GZULAGINDAJTPB-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050250055 344746039 /nfs/dbraw/zinc/74/60/39/344746039.db2.gz CAEMPCDKLQAGPT-SECBINFHSA-N 2 1 200.282 0.220 20 0 BCADMP C[C@@H](O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000661766648 537855093 /nfs/dbraw/zinc/85/50/93/537855093.db2.gz GZULAGINDAJTPB-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H](O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661766648 537855100 /nfs/dbraw/zinc/85/51/00/537855100.db2.gz GZULAGINDAJTPB-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661766642 537855361 /nfs/dbraw/zinc/85/53/61/537855361.db2.gz GZULAGINDAJTPB-CYZMBNFOSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661766642 537855368 /nfs/dbraw/zinc/85/53/68/537855368.db2.gz GZULAGINDAJTPB-CYZMBNFOSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000661766642 537855373 /nfs/dbraw/zinc/85/53/73/537855373.db2.gz GZULAGINDAJTPB-CYZMBNFOSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661766642 537855377 /nfs/dbraw/zinc/85/53/77/537855377.db2.gz GZULAGINDAJTPB-CYZMBNFOSA-N 2 1 242.363 0.287 20 0 BCADMP CC[NH+](CC)CCC[NH+](CCO)CCO ZINC000115664307 344713523 /nfs/dbraw/zinc/71/35/23/344713523.db2.gz JJTRBLDHULFFNG-UHFFFAOYSA-N 2 1 218.341 0.005 20 0 BCADMP C([C@H]1CCSC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000224617570 344953999 /nfs/dbraw/zinc/95/39/99/344953999.db2.gz CCFGJHWGJNKRNF-MXWKQRLJSA-N 2 1 212.362 0.891 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000053032021 345048957 /nfs/dbraw/zinc/04/89/57/345048957.db2.gz SFSBBDOXYZOISZ-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCOCC1 ZINC000310386872 259382337 /nfs/dbraw/zinc/38/23/37/259382337.db2.gz KFPDGFRMDJNFDL-ZDUSSCGKSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCOCC1 ZINC000310386872 259382338 /nfs/dbraw/zinc/38/23/38/259382338.db2.gz KFPDGFRMDJNFDL-ZDUSSCGKSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC000310386872 259382341 /nfs/dbraw/zinc/38/23/41/259382341.db2.gz KFPDGFRMDJNFDL-ZDUSSCGKSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000310386872 259382343 /nfs/dbraw/zinc/38/23/43/259382343.db2.gz KFPDGFRMDJNFDL-ZDUSSCGKSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125661492 345088889 /nfs/dbraw/zinc/08/88/89/345088889.db2.gz YQLQXKUOZMYIID-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C([N@@H+]1CC[C@]2(CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993325 345189908 /nfs/dbraw/zinc/18/99/08/345189908.db2.gz QVKJETILMXERAJ-CPCZMJQVSA-N 2 1 222.332 0.851 20 0 BCADMP C([N@H+]1CC[C@]2(CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993325 345189912 /nfs/dbraw/zinc/18/99/12/345189912.db2.gz QVKJETILMXERAJ-CPCZMJQVSA-N 2 1 222.332 0.851 20 0 BCADMP C([NH2+][C@@H]1CC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000634995416 345184437 /nfs/dbraw/zinc/18/44/37/345184437.db2.gz DHPBNMGQZANMGC-QWKFWESOSA-N 3 1 221.348 0.470 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000634995481 345184959 /nfs/dbraw/zinc/18/49/59/345184959.db2.gz GKQYHFPLRCYZPI-NWDGAFQWSA-N 3 1 213.369 0.949 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995757 345185376 /nfs/dbraw/zinc/18/53/76/345185376.db2.gz OCROSFWZHDYZOU-WHXUTIOJSA-N 2 1 221.308 0.008 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000634996923 345186401 /nfs/dbraw/zinc/18/64/01/345186401.db2.gz YYCINICNEMFQFU-HBNTYKKESA-N 3 1 201.358 0.933 20 0 BCADMP O=C1CC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996909 345186732 /nfs/dbraw/zinc/18/67/32/345186732.db2.gz YRGXGTVMFIDQPX-CBKZZEEASA-N 2 1 249.358 0.339 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996909 345186736 /nfs/dbraw/zinc/18/67/36/345186736.db2.gz YRGXGTVMFIDQPX-CBKZZEEASA-N 2 1 249.358 0.339 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156145555 345127828 /nfs/dbraw/zinc/12/78/28/345127828.db2.gz AULLIQPVKISPNQ-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)CC12CC(C1)C[NH2+]2 ZINC000634996567 345189069 /nfs/dbraw/zinc/18/90/69/345189069.db2.gz NWRAMEDIDNXXAZ-OTTFEQOBSA-N 2 1 223.364 0.764 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)CC12CC(C1)C[NH2+]2 ZINC000634996566 345189083 /nfs/dbraw/zinc/18/90/83/345189083.db2.gz NWRAMEDIDNXXAZ-CPCZMJQVSA-N 2 1 223.364 0.764 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000635078164 345242190 /nfs/dbraw/zinc/24/21/90/345242190.db2.gz OZUZBZLODGLQMX-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000635078164 345242191 /nfs/dbraw/zinc/24/21/91/345242191.db2.gz OZUZBZLODGLQMX-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000635078164 345242194 /nfs/dbraw/zinc/24/21/94/345242194.db2.gz OZUZBZLODGLQMX-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635138352 345256808 /nfs/dbraw/zinc/25/68/08/345256808.db2.gz WPRMXELVDVERHM-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994104 345192499 /nfs/dbraw/zinc/19/24/99/345192499.db2.gz QLDYXIITNRMYNA-ZYGVAYEYSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994104 345192503 /nfs/dbraw/zinc/19/25/03/345192503.db2.gz QLDYXIITNRMYNA-ZYGVAYEYSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994215 345192799 /nfs/dbraw/zinc/19/27/99/345192799.db2.gz VWOFQFXFBXWPOL-ZFDZMSFRSA-N 2 1 223.364 0.763 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)C[C@H]2C1 ZINC000634994280 345193294 /nfs/dbraw/zinc/19/32/94/345193294.db2.gz XTVUFNGEBHZYGH-UNTZMWQOSA-N 2 1 221.348 0.232 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@H+]1C ZINC000565042187 345194050 /nfs/dbraw/zinc/19/40/50/345194050.db2.gz XTJUMPKPOBKWKL-DCQANWLSSA-N 2 1 237.347 0.337 20 0 BCADMP CC1(C)OC[C@H]2C[C@]21[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634997712 345195477 /nfs/dbraw/zinc/19/54/77/345195477.db2.gz QYHDQVJNKFQQDJ-QYABHDJLSA-N 2 1 222.332 0.896 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000634997550 345196678 /nfs/dbraw/zinc/19/66/78/345196678.db2.gz NSIOOEQDSOZVNU-GMTAPVOTSA-N 2 1 217.332 0.588 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000634997550 345196680 /nfs/dbraw/zinc/19/66/80/345196680.db2.gz NSIOOEQDSOZVNU-GMTAPVOTSA-N 2 1 217.332 0.588 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000635349649 345318390 /nfs/dbraw/zinc/31/83/90/345318390.db2.gz ZOUBWYLGFIRDEO-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+](C)C ZINC000635328519 345309829 /nfs/dbraw/zinc/30/98/29/345309829.db2.gz PCMYYCNBNCVSCB-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635506371 345405345 /nfs/dbraw/zinc/40/53/45/345405345.db2.gz BPTZWZPILAHODA-GMTAPVOTSA-N 2 1 248.330 0.724 20 0 BCADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635506371 345405347 /nfs/dbraw/zinc/40/53/47/345405347.db2.gz BPTZWZPILAHODA-GMTAPVOTSA-N 2 1 248.330 0.724 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635506371 345405349 /nfs/dbraw/zinc/40/53/49/345405349.db2.gz BPTZWZPILAHODA-GMTAPVOTSA-N 2 1 248.330 0.724 20 0 BCADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000635507735 345406752 /nfs/dbraw/zinc/40/67/52/345406752.db2.gz LWZHEDCEPROKAM-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169113324 345434347 /nfs/dbraw/zinc/43/43/47/345434347.db2.gz QBCKDDBQPRSNQZ-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@@H](C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000088577661 345542887 /nfs/dbraw/zinc/54/28/87/345542887.db2.gz XYKLOGSHCSZUOX-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105725 323092643 /nfs/dbraw/zinc/09/26/43/323092643.db2.gz RGZBEKFHMJJLFK-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CO ZINC000196724675 345743528 /nfs/dbraw/zinc/74/35/28/345743528.db2.gz UADKQUVEIVBWKQ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CO ZINC000196724675 345743530 /nfs/dbraw/zinc/74/35/30/345743530.db2.gz UADKQUVEIVBWKQ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP COC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082717624 345701624 /nfs/dbraw/zinc/70/16/24/345701624.db2.gz MZCKHKGJAKJJDT-NXEZZACHSA-N 2 1 212.293 0.091 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000635557992 345717054 /nfs/dbraw/zinc/71/70/54/345717054.db2.gz GJNGCNUQELVCRX-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635557466 345717856 /nfs/dbraw/zinc/71/78/56/345717856.db2.gz ANFGOXOQLSETKH-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635557466 345717860 /nfs/dbraw/zinc/71/78/60/345717860.db2.gz ANFGOXOQLSETKH-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635557466 345717863 /nfs/dbraw/zinc/71/78/63/345717863.db2.gz ANFGOXOQLSETKH-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000200321737 345728206 /nfs/dbraw/zinc/72/82/06/345728206.db2.gz CWBSCBJNJYSXNC-UHFFFAOYSA-N 2 1 200.326 0.783 20 0 BCADMP OCC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000212455534 345735009 /nfs/dbraw/zinc/73/50/09/345735009.db2.gz BPYXBWPDWIHTAO-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000211705200 345737876 /nfs/dbraw/zinc/73/78/76/345737876.db2.gz AMQKILZDRJETKP-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635602282 345887965 /nfs/dbraw/zinc/88/79/65/345887965.db2.gz GYZDJBLWVRFVIG-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CCOCCN1CCC([N@@H+](C)CCCO)CC1 ZINC000115739330 187311722 /nfs/dbraw/zinc/31/17/22/187311722.db2.gz CCOLMWKFQMWINO-UHFFFAOYSA-N 2 1 244.379 0.802 20 0 BCADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCO1 ZINC000346145103 187363396 /nfs/dbraw/zinc/36/33/96/187363396.db2.gz UPSWJRVPZKDMBZ-AGIUHOORSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635807574 346072656 /nfs/dbraw/zinc/07/26/56/346072656.db2.gz NVZNBNRCAFSEQJ-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP C[N@@H+]1CC[C@H](CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000635945057 346118674 /nfs/dbraw/zinc/11/86/74/346118674.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 1 248.330 0.636 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000635945057 346118678 /nfs/dbraw/zinc/11/86/78/346118678.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 1 248.330 0.636 20 0 BCADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000635993784 346144292 /nfs/dbraw/zinc/14/42/92/346144292.db2.gz ASPTWJWUYGXOGA-WAAKLRNESA-N 2 1 239.363 0.678 20 0 BCADMP C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000636012326 346153972 /nfs/dbraw/zinc/15/39/72/346153972.db2.gz IRYXTGPXMAPLBP-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000636065928 346306554 /nfs/dbraw/zinc/30/65/54/346306554.db2.gz OEZRWWKBPZMESF-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626539 349950660 /nfs/dbraw/zinc/95/06/60/349950660.db2.gz DTXJQIBRVINGJJ-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000069734226 349956407 /nfs/dbraw/zinc/95/64/07/349956407.db2.gz LIBFAZUWOHKMAT-UHFFFAOYSA-N 2 1 201.314 0.183 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574918909 346411645 /nfs/dbraw/zinc/41/16/45/346411645.db2.gz BXPGYQJKRFUQOK-WZRBSPASSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795865 362736773 /nfs/dbraw/zinc/73/67/73/362736773.db2.gz APDPFBASMYPSBI-JQWIXIFHSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000069840024 349962144 /nfs/dbraw/zinc/96/21/44/349962144.db2.gz KHXXMVWCDNFTLB-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000641797540 362742578 /nfs/dbraw/zinc/74/25/78/362742578.db2.gz DZAVXUJMBSEWGJ-NSHDSACASA-N 2 1 208.309 0.669 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641797770 362745441 /nfs/dbraw/zinc/74/54/41/362745441.db2.gz GHNPVKLTOVFXDL-CYBMUJFWSA-N 2 1 234.347 0.648 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262314134 535048611 /nfs/dbraw/zinc/04/86/11/535048611.db2.gz ZKPRORXHFBQVSF-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000641799213 362746790 /nfs/dbraw/zinc/74/67/90/362746790.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 2 1 222.336 0.633 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641799502 362747892 /nfs/dbraw/zinc/74/78/92/362747892.db2.gz QBWQOFOYNNVLOU-YPMHNXCESA-N 2 1 234.347 0.646 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[NH2+]CC1 ZINC000641796664 362739800 /nfs/dbraw/zinc/73/98/00/362739800.db2.gz GSEPWBAMSRUXDQ-UHFFFAOYSA-N 2 1 208.309 0.258 20 0 BCADMP CC(C)([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000381627751 346478200 /nfs/dbraw/zinc/47/82/00/346478200.db2.gz LVWGNTODBJJQAQ-UHFFFAOYSA-N 2 1 228.321 0.069 20 0 BCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641804632 362761707 /nfs/dbraw/zinc/76/17/07/362761707.db2.gz ZMWVPRRAPHVGNQ-AXFHLTTASA-N 2 1 239.363 0.711 20 0 BCADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000641801240 362755343 /nfs/dbraw/zinc/75/53/43/362755343.db2.gz OJFFAEMXXHNNBB-AXFHLTTASA-N 2 1 211.353 0.701 20 0 BCADMP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801449 362755458 /nfs/dbraw/zinc/75/54/58/362755458.db2.gz QYNKEIRVIWRHBM-WDEREUQCSA-N 2 1 237.351 0.822 20 0 BCADMP CN(C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641802150 362757615 /nfs/dbraw/zinc/75/76/15/362757615.db2.gz YEAXBQFKZILTLC-VHSXEESVSA-N 2 1 225.336 0.323 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801824 362757763 /nfs/dbraw/zinc/75/77/63/362757763.db2.gz FNGKGORFVINBLQ-HBNTYKKESA-N 2 1 241.379 0.957 20 0 BCADMP Cn1c[nH+]cc1CCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000641802173 362758761 /nfs/dbraw/zinc/75/87/61/362758761.db2.gz YRMOQGAKEYRPAQ-YPMHNXCESA-N 2 1 234.347 0.694 20 0 BCADMP CCCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803867 362761028 /nfs/dbraw/zinc/76/10/28/362761028.db2.gz FKRHCSFGMIGSOS-VHSXEESVSA-N 2 1 227.352 0.618 20 0 BCADMP CC(C)C[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000147967563 346501528 /nfs/dbraw/zinc/50/15/28/346501528.db2.gz MVUSNRVDQYVJGB-UHFFFAOYSA-N 2 1 239.363 0.668 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100646 /nfs/dbraw/zinc/10/06/46/347100646.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100647 /nfs/dbraw/zinc/10/06/47/347100647.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100649 /nfs/dbraw/zinc/10/06/49/347100649.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 1 230.352 0.002 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000300419969 346673054 /nfs/dbraw/zinc/67/30/54/346673054.db2.gz BIHCHFYVRFRIFT-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]Cc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000563625145 323132219 /nfs/dbraw/zinc/13/22/19/323132219.db2.gz VIMXXYHPKWATST-VIFPVBQESA-N 2 1 218.260 0.771 20 0 BCADMP CC[C@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCS1 ZINC000563628284 323132346 /nfs/dbraw/zinc/13/23/46/323132346.db2.gz CMMTYLMRTODLHN-QWRGUYRKSA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCS1 ZINC000563628284 323132347 /nfs/dbraw/zinc/13/23/47/323132347.db2.gz CMMTYLMRTODLHN-QWRGUYRKSA-N 2 1 232.393 0.784 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580650419 365844725 /nfs/dbraw/zinc/84/47/25/365844725.db2.gz QMMALZARLGRCQH-WZRBSPASSA-N 2 1 237.347 0.196 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000307957939 346733659 /nfs/dbraw/zinc/73/36/59/346733659.db2.gz SNYAFMAKJGKQJQ-SECBINFHSA-N 2 1 240.269 0.984 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])C[C@H](C)[NH2+]1 ZINC000577187287 365867593 /nfs/dbraw/zinc/86/75/93/365867593.db2.gz UPQOVPKAMYXPBM-OCAPTIKFSA-N 2 1 235.278 0.179 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000577177661 365860125 /nfs/dbraw/zinc/86/01/25/365860125.db2.gz CXGXITXDEGNIOO-DTWKUNHWSA-N 2 1 249.305 0.440 20 0 BCADMP Cc1cccc(OCC[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000336722031 179166871 /nfs/dbraw/zinc/16/68/71/179166871.db2.gz SQQJIHUTCZPXST-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP Cc1cccc(OCC[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000336722031 179166873 /nfs/dbraw/zinc/16/68/73/179166873.db2.gz SQQJIHUTCZPXST-GFCCVEGCSA-N 2 1 238.331 0.625 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000622004683 370655616 /nfs/dbraw/zinc/65/56/16/370655616.db2.gz SKDOXFHEYDHGGQ-FRRDWIJNSA-N 2 1 226.364 0.936 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000622004855 370655815 /nfs/dbraw/zinc/65/58/15/370655815.db2.gz VTRAFYPUHCJLTC-AAEUAGOBSA-N 2 1 226.364 0.936 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[NH+](C)C ZINC000184502419 347164928 /nfs/dbraw/zinc/16/49/28/347164928.db2.gz IIVUDIAFGYLJQI-UHFFFAOYSA-N 2 1 213.325 0.101 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCc1cncn1C ZINC000641819953 362771249 /nfs/dbraw/zinc/77/12/49/362771249.db2.gz JJHGJUNTHSBSEA-UHFFFAOYSA-N 2 1 240.351 0.130 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325517 347207177 /nfs/dbraw/zinc/20/71/77/347207177.db2.gz DQDRBJYGELVINO-GHMZBOCLSA-N 2 1 228.336 0.855 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571297437 323140699 /nfs/dbraw/zinc/14/06/99/323140699.db2.gz MXAQNOBYEHZNOP-SFYZADRCSA-N 2 1 207.268 0.440 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250610966 362812667 /nfs/dbraw/zinc/81/26/67/362812667.db2.gz MQFPBBJKTIQJPY-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CN(C)c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000250498451 362806037 /nfs/dbraw/zinc/80/60/37/362806037.db2.gz ZVXGAZYNOTYGDW-MBTKJCJQSA-N 2 1 219.292 0.172 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000390466628 347360588 /nfs/dbraw/zinc/36/05/88/347360588.db2.gz ARPGMTXMMHDTIW-CMPLNLGQSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000390466628 347360591 /nfs/dbraw/zinc/36/05/91/347360591.db2.gz ARPGMTXMMHDTIW-CMPLNLGQSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@H+]1CCN(C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000250786378 362821524 /nfs/dbraw/zinc/82/15/24/362821524.db2.gz GHYJYMOKKWCXLR-LLVKDONJSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380839561 347399262 /nfs/dbraw/zinc/39/92/62/347399262.db2.gz TUYSVJWNQXZICN-GMTAPVOTSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380839561 347399263 /nfs/dbraw/zinc/39/92/63/347399263.db2.gz TUYSVJWNQXZICN-GMTAPVOTSA-N 2 1 225.336 0.004 20 0 BCADMP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000053197141 347438542 /nfs/dbraw/zinc/43/85/42/347438542.db2.gz BNMDGABJFWOCDK-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH+](C)C ZINC000571579716 323148362 /nfs/dbraw/zinc/14/83/62/323148362.db2.gz KJWJCBVAORVXAV-RYUDHWBXSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149777715 347512353 /nfs/dbraw/zinc/51/23/53/347512353.db2.gz JXMXGRKMZQDVEH-WISYIIOYSA-N 2 1 210.321 0.705 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591451200 347664337 /nfs/dbraw/zinc/66/43/37/347664337.db2.gz WLHKNSRSTGBAHV-LLVKDONJSA-N 2 1 236.319 0.259 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000591430092 347655332 /nfs/dbraw/zinc/65/53/32/347655332.db2.gz XTCXSEATEJXJQT-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591423104 347657588 /nfs/dbraw/zinc/65/75/88/347657588.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591423104 347657592 /nfs/dbraw/zinc/65/75/92/347657592.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591423104 347657596 /nfs/dbraw/zinc/65/75/96/347657596.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591451200 347664335 /nfs/dbraw/zinc/66/43/35/347664335.db2.gz WLHKNSRSTGBAHV-LLVKDONJSA-N 2 1 236.319 0.259 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591451201 347664051 /nfs/dbraw/zinc/66/40/51/347664051.db2.gz WLHKNSRSTGBAHV-NSHDSACASA-N 2 1 236.319 0.259 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591451201 347664053 /nfs/dbraw/zinc/66/40/53/347664053.db2.gz WLHKNSRSTGBAHV-NSHDSACASA-N 2 1 236.319 0.259 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726583 347692598 /nfs/dbraw/zinc/69/25/98/347692598.db2.gz QLKCCKXFEYXOOX-GRYCIOLGSA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000591726719 347693160 /nfs/dbraw/zinc/69/31/60/347693160.db2.gz LDZAATHMWNQNQO-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000591726719 347693162 /nfs/dbraw/zinc/69/31/62/347693162.db2.gz LDZAATHMWNQNQO-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000591726719 347693163 /nfs/dbraw/zinc/69/31/63/347693163.db2.gz LDZAATHMWNQNQO-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000591456799 347664844 /nfs/dbraw/zinc/66/48/44/347664844.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000591456799 347664847 /nfs/dbraw/zinc/66/48/47/347664847.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000591456799 347664852 /nfs/dbraw/zinc/66/48/52/347664852.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000162516948 535065177 /nfs/dbraw/zinc/06/51/77/535065177.db2.gz SRBHCMIVFWRGJX-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000162516948 535065184 /nfs/dbraw/zinc/06/51/84/535065184.db2.gz SRBHCMIVFWRGJX-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CCOC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592494372 347787340 /nfs/dbraw/zinc/78/73/40/347787340.db2.gz SPCGFHZGVRRGOA-LLVKDONJSA-N 2 1 240.347 0.871 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592474256 347790714 /nfs/dbraw/zinc/79/07/14/347790714.db2.gz MDTNTBQMNILTHB-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CC(C)(C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341596 535065648 /nfs/dbraw/zinc/06/56/48/535065648.db2.gz MXTSPAXZAOCBCL-NSHDSACASA-N 2 1 231.315 0.131 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000577392120 365944476 /nfs/dbraw/zinc/94/44/76/365944476.db2.gz OQOPVWAUIDSSIC-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577399026 365946026 /nfs/dbraw/zinc/94/60/26/365946026.db2.gz HOXJHKLGBVDTNR-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[NH+]1CCC(NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000038098249 348052734 /nfs/dbraw/zinc/05/27/34/348052734.db2.gz AZNZZRPRRNXWMW-SNVBAGLBSA-N 2 1 243.376 0.249 20 0 BCADMP COC(=O)[C@@](C)(CCF)[NH2+]CC1CC[NH2+]CC1 ZINC000594738199 348109520 /nfs/dbraw/zinc/10/95/20/348109520.db2.gz BQVXJGQWFRYPHV-GFCCVEGCSA-N 2 1 246.326 0.867 20 0 BCADMP [NH3+]CCSCc1cn(-c2cc[nH+]cc2)nn1 ZINC000594646315 348087027 /nfs/dbraw/zinc/08/70/27/348087027.db2.gz XSMJPTGOBPFJIG-UHFFFAOYSA-N 2 1 235.316 0.854 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1=O ZINC000391613368 323179012 /nfs/dbraw/zinc/17/90/12/323179012.db2.gz DWCKDAXZDCRMDB-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1=O ZINC000391613368 323179013 /nfs/dbraw/zinc/17/90/13/323179013.db2.gz DWCKDAXZDCRMDB-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP COC(=O)CCC[N@H+](C)CC(C)(C)[NH3+] ZINC000595899725 348394411 /nfs/dbraw/zinc/39/44/11/348394411.db2.gz UAOQWXWCEFNUQS-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP COC(=O)CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595899725 348394414 /nfs/dbraw/zinc/39/44/14/348394414.db2.gz UAOQWXWCEFNUQS-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CC(C)=CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902652 348395377 /nfs/dbraw/zinc/39/53/77/348395377.db2.gz CPAVXWTYRSRMGJ-VXGBXAGGSA-N 2 1 237.347 0.587 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC3CCC3)CCN2C1=O ZINC000595902940 348395542 /nfs/dbraw/zinc/39/55/42/348395542.db2.gz JHGVTAGLYFAJKM-NWDGAFQWSA-N 2 1 237.347 0.420 20 0 BCADMP COC(=O)[C@](C)(CCF)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000595908407 348398253 /nfs/dbraw/zinc/39/82/53/348398253.db2.gz HYQYCERIHVMKCR-JQWIXIFHSA-N 2 1 246.326 0.867 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCn2ccccc2=O)C1 ZINC000603557292 349992867 /nfs/dbraw/zinc/99/28/67/349992867.db2.gz REUWTPAJHBQWQB-CYBMUJFWSA-N 2 1 249.358 0.732 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2ccccc2=O)C1 ZINC000603557292 349992868 /nfs/dbraw/zinc/99/28/68/349992868.db2.gz REUWTPAJHBQWQB-CYBMUJFWSA-N 2 1 249.358 0.732 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820435 348826349 /nfs/dbraw/zinc/82/63/49/348826349.db2.gz DNQGFKUKDWIMFO-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133678 349082890 /nfs/dbraw/zinc/08/28/90/349082890.db2.gz JFKRGQUKNXQGEN-LLVKDONJSA-N 2 1 229.368 0.960 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599301100 349141228 /nfs/dbraw/zinc/14/12/28/349141228.db2.gz GFJNWBDTMKORIA-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP [NH3+]CCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250942904 349181086 /nfs/dbraw/zinc/18/10/86/349181086.db2.gz ZTVAPWMGPLXSBU-VXGBXAGGSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252851469 349218935 /nfs/dbraw/zinc/21/89/35/349218935.db2.gz IBQUEOKFVAYRRW-QCNOEVLYSA-N 2 1 239.363 0.665 20 0 BCADMP COCCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252781137 349204518 /nfs/dbraw/zinc/20/45/18/349204518.db2.gz UEOAXNMRIIPWIM-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP COCCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252781137 349204523 /nfs/dbraw/zinc/20/45/23/349204523.db2.gz UEOAXNMRIIPWIM-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000212153144 349303004 /nfs/dbraw/zinc/30/30/04/349303004.db2.gz CKVUTCWIOHESMQ-LBPRGKRZSA-N 2 1 239.363 0.670 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000390431801 538036296 /nfs/dbraw/zinc/03/62/96/538036296.db2.gz PVZJELMVOLOODJ-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000383719009 349383094 /nfs/dbraw/zinc/38/30/94/349383094.db2.gz XZYBQWKOMCKWJU-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070542280 350019255 /nfs/dbraw/zinc/01/92/55/350019255.db2.gz NKKWFVQFUPCCIQ-UHFFFAOYSA-N 2 1 249.358 0.869 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070582615 350025681 /nfs/dbraw/zinc/02/56/81/350025681.db2.gz XQBVUIIWEPEIPV-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000070586148 350033037 /nfs/dbraw/zinc/03/30/37/350033037.db2.gz RIEWLORSLQZEGB-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000070586149 350033042 /nfs/dbraw/zinc/03/30/42/350033042.db2.gz RIEWLORSLQZEGB-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619289 350029381 /nfs/dbraw/zinc/02/93/81/350029381.db2.gz MHZHHDQQRZHPTA-LBPRGKRZSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000131417524 191011580 /nfs/dbraw/zinc/01/15/80/191011580.db2.gz TYXRDQVEPUEHHY-ZJUUUORDSA-N 2 1 218.366 0.394 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]C2COCCOC2)CC1(C)C ZINC000623530020 362949772 /nfs/dbraw/zinc/94/97/72/362949772.db2.gz JFPZDYDCSSBEQE-NSHDSACASA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C2COCCOC2)CC1(C)C ZINC000623530020 362949776 /nfs/dbraw/zinc/94/97/76/362949776.db2.gz JFPZDYDCSSBEQE-NSHDSACASA-N 2 1 242.363 0.864 20 0 BCADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000304360474 350155587 /nfs/dbraw/zinc/15/55/87/350155587.db2.gz HYPDRIYHAMXQIE-LBPRGKRZSA-N 2 1 222.336 0.862 20 0 BCADMP C[C@@H](CO)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314039983 350168231 /nfs/dbraw/zinc/16/82/31/350168231.db2.gz VPTNDTVYZNQGDJ-WDEREUQCSA-N 2 1 225.336 0.959 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133789492 191042505 /nfs/dbraw/zinc/04/25/05/191042505.db2.gz BHGXIKBYMBENEH-NEPJUHHUSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000236647796 191059901 /nfs/dbraw/zinc/05/99/01/191059901.db2.gz CRIJTGTZLGDVOB-VIFPVBQESA-N 2 1 201.314 0.132 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000236648541 191060075 /nfs/dbraw/zinc/06/00/75/191060075.db2.gz ZJQCLJVHUBABAP-UHFFFAOYSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484902 323284078 /nfs/dbraw/zinc/28/40/78/323284078.db2.gz SFONRDQYIAQCBS-VWYCJHECSA-N 2 1 227.352 0.428 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)COC ZINC000153798438 191072812 /nfs/dbraw/zinc/07/28/12/191072812.db2.gz GRUHGYLQFZYKMN-NSHDSACASA-N 2 1 218.341 0.579 20 0 BCADMP Cc1nccc(NC[C@H](C)N2CCN(C)CC2)n1 ZINC000266337179 180201110 /nfs/dbraw/zinc/20/11/10/180201110.db2.gz HTIGCVALQUOSRG-NSHDSACASA-N 2 1 249.362 0.833 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000309233666 350215157 /nfs/dbraw/zinc/21/51/57/350215157.db2.gz JDZLAQHBLSFEIG-NSHDSACASA-N 2 1 230.352 0.194 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000309233666 350215160 /nfs/dbraw/zinc/21/51/60/350215160.db2.gz JDZLAQHBLSFEIG-NSHDSACASA-N 2 1 230.352 0.194 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)O ZINC000270619212 180235572 /nfs/dbraw/zinc/23/55/72/180235572.db2.gz JSIFHHPFQMVQSM-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)O ZINC000270619212 180235576 /nfs/dbraw/zinc/23/55/76/180235576.db2.gz JSIFHHPFQMVQSM-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261571996 535116942 /nfs/dbraw/zinc/11/69/42/535116942.db2.gz HYIQAPIZJDBAPC-CMPLNLGQSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261571996 535116944 /nfs/dbraw/zinc/11/69/44/535116944.db2.gz HYIQAPIZJDBAPC-CMPLNLGQSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)C[NH3+] ZINC000285834904 180237003 /nfs/dbraw/zinc/23/70/03/180237003.db2.gz VRLARPJOPJHOAP-JTQLQIEISA-N 2 1 238.335 0.683 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCO ZINC000269704357 180237280 /nfs/dbraw/zinc/23/72/80/180237280.db2.gz NEIOOQVQJSBXQG-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCO ZINC000269704357 180237282 /nfs/dbraw/zinc/23/72/82/180237282.db2.gz NEIOOQVQJSBXQG-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C1C[NH2+]C1 ZINC000336693427 180237366 /nfs/dbraw/zinc/23/73/66/180237366.db2.gz LCSHWODPRXBJBN-UHFFFAOYSA-N 2 1 208.309 0.485 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000277098057 180246087 /nfs/dbraw/zinc/24/60/87/180246087.db2.gz SSKYANGVBNCJME-UWVGGRQHSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C1(CO)CC1 ZINC000285566282 180248584 /nfs/dbraw/zinc/24/85/84/180248584.db2.gz RXYRVFUFQUSLGV-UHFFFAOYSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C1(CO)CC1 ZINC000285566282 180248588 /nfs/dbraw/zinc/24/85/88/180248588.db2.gz RXYRVFUFQUSLGV-UHFFFAOYSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCOC1 ZINC000270896175 180249477 /nfs/dbraw/zinc/24/94/77/180249477.db2.gz QCGKPRJJVDJVNK-LLVKDONJSA-N 2 1 209.293 0.912 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCOC1 ZINC000270896175 180249480 /nfs/dbraw/zinc/24/94/80/180249480.db2.gz QCGKPRJJVDJVNK-LLVKDONJSA-N 2 1 209.293 0.912 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000271593121 180254618 /nfs/dbraw/zinc/25/46/18/180254618.db2.gz RVWGYKSZAWBERB-UHFFFAOYSA-N 2 1 231.303 0.973 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CCc2n[nH]cc2C1 ZINC000271593121 180254621 /nfs/dbraw/zinc/25/46/21/180254621.db2.gz RVWGYKSZAWBERB-UHFFFAOYSA-N 2 1 231.303 0.973 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261584176 180259718 /nfs/dbraw/zinc/25/97/18/180259718.db2.gz PNETZPALQNSDTH-BDAKNGLRSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000261552691 180259296 /nfs/dbraw/zinc/25/92/96/180259296.db2.gz NFRUEKVBKQKCEG-SNVBAGLBSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)C1 ZINC000270572195 180241592 /nfs/dbraw/zinc/24/15/92/180241592.db2.gz BDCITJXGKQYWEX-NSHDSACASA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)C1 ZINC000270572195 180241594 /nfs/dbraw/zinc/24/15/94/180241594.db2.gz BDCITJXGKQYWEX-NSHDSACASA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000272360253 180243399 /nfs/dbraw/zinc/24/33/99/180243399.db2.gz SCIHFVDCFARQTA-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000277098061 180245089 /nfs/dbraw/zinc/24/50/89/180245089.db2.gz SSKYANGVBNCJME-ZJUUUORDSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnnn1C ZINC000337949977 180245238 /nfs/dbraw/zinc/24/52/38/180245238.db2.gz JJCZJIQNIAUNFL-UHFFFAOYSA-N 2 1 234.307 0.500 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000178847749 180267281 /nfs/dbraw/zinc/26/72/81/180267281.db2.gz QZEZVSGYRJFCLL-ONGXEEELSA-N 2 1 236.319 0.530 20 0 BCADMP Cc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289350172 180269491 /nfs/dbraw/zinc/26/94/91/180269491.db2.gz KUZBGPSEIAPBRA-LLVKDONJSA-N 2 1 209.293 0.647 20 0 BCADMP Cc1[nH+]ccn1C[C@H](O)C[N@H+](C)C1CC1 ZINC000289350172 180269494 /nfs/dbraw/zinc/26/94/94/180269494.db2.gz KUZBGPSEIAPBRA-LLVKDONJSA-N 2 1 209.293 0.647 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000606371683 350318887 /nfs/dbraw/zinc/31/88/87/350318887.db2.gz PHQXCNNPIPQJRZ-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328406411 350399910 /nfs/dbraw/zinc/39/99/10/350399910.db2.gz TUUZGRWQOKKHET-MNOVXSKESA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839778 350415019 /nfs/dbraw/zinc/41/50/19/350415019.db2.gz UNJCFRKZNNDVCV-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](NCCn1ccnc1)c1nccn1C ZINC000070007985 350492197 /nfs/dbraw/zinc/49/21/97/350492197.db2.gz XRSMPQQYTYUXRQ-JTQLQIEISA-N 2 1 219.292 0.967 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000381023647 350498277 /nfs/dbraw/zinc/49/82/77/350498277.db2.gz XDCYDVQXFGSKQA-NEPJUHHUSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000381023647 350498279 /nfs/dbraw/zinc/49/82/79/350498279.db2.gz XDCYDVQXFGSKQA-NEPJUHHUSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H](CCCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309480459 350565057 /nfs/dbraw/zinc/56/50/57/350565057.db2.gz VVLYWHWSRUCZHI-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H](CCCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309480459 350565061 /nfs/dbraw/zinc/56/50/61/350565061.db2.gz VVLYWHWSRUCZHI-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337636021 350601070 /nfs/dbraw/zinc/60/10/70/350601070.db2.gz XYLQFRNJCGIVOD-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337636021 350601075 /nfs/dbraw/zinc/60/10/75/350601075.db2.gz XYLQFRNJCGIVOD-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000399017149 490653657 /nfs/dbraw/zinc/65/36/57/490653657.db2.gz CLYJGKRNPAZRMY-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261565816 535147586 /nfs/dbraw/zinc/14/75/86/535147586.db2.gz YNVCMPBNZFLULH-NSHDSACASA-N 2 1 241.379 0.736 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000393776557 490689530 /nfs/dbraw/zinc/68/95/30/490689530.db2.gz YGMGWICYUNKRQU-MNOVXSKESA-N 2 1 230.377 0.396 20 0 BCADMP CN(C)c1ncc(C[N@H+](C)CCC[NH3+])s1 ZINC000309503907 350679530 /nfs/dbraw/zinc/67/95/30/350679530.db2.gz VJDVIVCDRYEXCC-UHFFFAOYSA-N 2 1 228.365 0.990 20 0 BCADMP CN(C)c1ncc(C[N@@H+](C)CCC[NH3+])s1 ZINC000309503907 350679536 /nfs/dbraw/zinc/67/95/36/350679536.db2.gz VJDVIVCDRYEXCC-UHFFFAOYSA-N 2 1 228.365 0.990 20 0 BCADMP C[C@H](C(=O)N1CCN(C)C[C@H]1C)N1CC(C)C1 ZINC000581734571 350773561 /nfs/dbraw/zinc/77/35/61/350773561.db2.gz PNBAMYLWOMMLLK-VXGBXAGGSA-N 2 1 239.363 0.489 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051669 362993288 /nfs/dbraw/zinc/99/32/88/362993288.db2.gz ASCIDUBSHXANJL-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520646 351071084 /nfs/dbraw/zinc/07/10/84/351071084.db2.gz ZVQJUSGUCPKEOZ-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520685 351071102 /nfs/dbraw/zinc/07/11/02/351071102.db2.gz RYBNISQZNQGOKY-GXFFZTMASA-N 2 1 237.347 0.481 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252717076 535159856 /nfs/dbraw/zinc/15/98/56/535159856.db2.gz ZSEGQNVXHALTGD-IJLUTSLNSA-N 2 1 214.353 0.933 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000088050109 351532018 /nfs/dbraw/zinc/53/20/18/351532018.db2.gz OISSQCDFHOAVDQ-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP Cc1cn2c(n1)C[C@@H](C(=O)N1CCNCC1)CC2 ZINC000637801461 351632758 /nfs/dbraw/zinc/63/27/58/351632758.db2.gz MXABXMJTBNWPLV-NSHDSACASA-N 2 1 248.330 0.186 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000637802711 351634848 /nfs/dbraw/zinc/63/48/48/351634848.db2.gz SZGANNASKXXHNH-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637806672 351643924 /nfs/dbraw/zinc/64/39/24/351643924.db2.gz VNCDMSSGZIKFOG-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CCC[C@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000577645137 366029489 /nfs/dbraw/zinc/02/94/89/366029489.db2.gz CTOGOXPDWMRJHI-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000637798316 351626704 /nfs/dbraw/zinc/62/67/04/351626704.db2.gz WFBQFFGGOAELGZ-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000637801407 351631997 /nfs/dbraw/zinc/63/19/97/351631997.db2.gz JWEFAZPZMAACBI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000637824312 351663431 /nfs/dbraw/zinc/66/34/31/351663431.db2.gz XHUFJLUVJJCYBA-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000637824311 351663501 /nfs/dbraw/zinc/66/35/01/351663501.db2.gz XHUFJLUVJJCYBA-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000637824717 351664371 /nfs/dbraw/zinc/66/43/71/351664371.db2.gz PVKAIGJGOFMVRL-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000637821559 351666039 /nfs/dbraw/zinc/66/60/39/351666039.db2.gz UCLDABDGJTTZMC-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000637821959 351666570 /nfs/dbraw/zinc/66/65/70/351666570.db2.gz GJYRSPPTBRPPHU-SDDRHHMPSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637828105 351671611 /nfs/dbraw/zinc/67/16/11/351671611.db2.gz BNPFYHGRSPBLER-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC(C)(C)[NH3+] ZINC000637858291 351719385 /nfs/dbraw/zinc/71/93/85/351719385.db2.gz YKTFTDBPZDHDSZ-UHFFFAOYSA-N 2 1 210.281 0.045 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000626986082 363084848 /nfs/dbraw/zinc/08/48/48/363084848.db2.gz ADMLFSCBNCVFTH-GARJFASQSA-N 2 1 240.351 0.130 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH3+])C(C)C ZINC000637848073 351708308 /nfs/dbraw/zinc/70/83/08/351708308.db2.gz FZNBDVKGYRCFBG-JTQLQIEISA-N 2 1 224.308 0.291 20 0 BCADMP CC[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638047804 351924759 /nfs/dbraw/zinc/92/47/59/351924759.db2.gz UIBCCYCAJOMHFB-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC000638068404 351939544 /nfs/dbraw/zinc/93/95/44/351939544.db2.gz KEUBXUSUNDSJPX-SNVBAGLBSA-N 2 1 238.335 0.696 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC000638068403 351939623 /nfs/dbraw/zinc/93/96/23/351939623.db2.gz KEUBXUSUNDSJPX-JTQLQIEISA-N 2 1 238.335 0.696 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638076332 351948478 /nfs/dbraw/zinc/94/84/78/351948478.db2.gz KKWDNYZVQARALJ-MNOVXSKESA-N 2 1 223.320 0.244 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076983 351948644 /nfs/dbraw/zinc/94/86/44/351948644.db2.gz NYPFEYKZAVZGCC-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000638069359 351941290 /nfs/dbraw/zinc/94/12/90/351941290.db2.gz JMNCTBKFKPFMIA-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)CCOC ZINC000638072438 351944361 /nfs/dbraw/zinc/94/43/61/351944361.db2.gz RYRRZEQWCOYHPK-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638072294 351944833 /nfs/dbraw/zinc/94/48/33/351944833.db2.gz MGRJNUMINKYLPK-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000638072741 351945282 /nfs/dbraw/zinc/94/52/82/351945282.db2.gz VIXXCRSHQTXGRM-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000638072979 351945465 /nfs/dbraw/zinc/94/54/65/351945465.db2.gz WKXRSFVQXPIGPS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638148468 352009665 /nfs/dbraw/zinc/00/96/65/352009665.db2.gz MEYAAPVZFOXCKX-MWLCHTKSSA-N 2 1 236.319 0.387 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077837 351950715 /nfs/dbraw/zinc/95/07/15/351950715.db2.gz BHBRBMHFGPZHKT-GHMZBOCLSA-N 2 1 223.320 0.244 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638077733 351950919 /nfs/dbraw/zinc/95/09/19/351950919.db2.gz VUOZPQFBZUJJDI-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+](CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638081631 351954353 /nfs/dbraw/zinc/95/43/53/351954353.db2.gz BAIONYCNGOMFHM-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638082001 351955576 /nfs/dbraw/zinc/95/55/76/351955576.db2.gz RPUDUBBZLCHYJQ-QWRGUYRKSA-N 2 1 235.331 0.387 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000638081463 351957198 /nfs/dbraw/zinc/95/71/98/351957198.db2.gz MAMGCUPCAYGOIR-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000638081465 351957348 /nfs/dbraw/zinc/95/73/48/351957348.db2.gz MAMGCUPCAYGOIR-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000638085458 351962169 /nfs/dbraw/zinc/96/21/69/351962169.db2.gz ZXMPSVXAYJREBN-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638150230 352011549 /nfs/dbraw/zinc/01/15/49/352011549.db2.gz VPVSEBFUUOLDJR-MWLCHTKSSA-N 2 1 236.319 0.387 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638151782 352012095 /nfs/dbraw/zinc/01/20/95/352012095.db2.gz AMHBHNAWZONLPZ-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638096586 351976863 /nfs/dbraw/zinc/97/68/63/351976863.db2.gz JZBATHXDWVILRC-LLVKDONJSA-N 2 1 237.347 0.634 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000638100577 351980925 /nfs/dbraw/zinc/98/09/25/351980925.db2.gz KFRATBXVYWMEBL-UWVGGRQHSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000638125981 351997253 /nfs/dbraw/zinc/99/72/53/351997253.db2.gz HUNPEORFRSLLND-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638176700 352042962 /nfs/dbraw/zinc/04/29/62/352042962.db2.gz GKWSRKBQMGJSIR-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638176697 352043007 /nfs/dbraw/zinc/04/30/07/352043007.db2.gz GKWSRKBQMGJSIR-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP O=c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000638186393 352050499 /nfs/dbraw/zinc/05/04/99/352050499.db2.gz SMNREPUSBYVDQI-QWRGUYRKSA-N 2 1 219.288 0.438 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000638195095 352057152 /nfs/dbraw/zinc/05/71/52/352057152.db2.gz CZZKRVFXASMYSA-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638201036 352061581 /nfs/dbraw/zinc/06/15/81/352061581.db2.gz ACTGEQGJINVTAA-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638198151 352061823 /nfs/dbraw/zinc/06/18/23/352061823.db2.gz AATSWHMQCDCGHO-QWRGUYRKSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638199900 352063107 /nfs/dbraw/zinc/06/31/07/352063107.db2.gz GHBQNZRSQPYNNS-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638199901 352063531 /nfs/dbraw/zinc/06/35/31/352063531.db2.gz GHBQNZRSQPYNNS-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000638204697 352066287 /nfs/dbraw/zinc/06/62/87/352066287.db2.gz AYVKNHZISHJMIW-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000638205558 352067399 /nfs/dbraw/zinc/06/73/99/352067399.db2.gz ICBXLFZGVMBGQM-MNOVXSKESA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC1(C)CC[NH2+]CC1 ZINC000638207731 352069829 /nfs/dbraw/zinc/06/98/29/352069829.db2.gz OMPGQJPDEODYIM-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH3+] ZINC000638210195 352072872 /nfs/dbraw/zinc/07/28/72/352072872.db2.gz FORKCEAHEWEEQS-SECBINFHSA-N 2 1 224.308 0.470 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000638152345 352016566 /nfs/dbraw/zinc/01/65/66/352016566.db2.gz DXCABSJQQPDNSA-SDDRHHMPSA-N 2 1 239.363 0.570 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000638152344 352016988 /nfs/dbraw/zinc/01/69/88/352016988.db2.gz DXCABSJQQPDNSA-QJPTWQEYSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638155845 352019091 /nfs/dbraw/zinc/01/90/91/352019091.db2.gz WFFJXLXNZWXLTK-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1([NH3+])CCC1 ZINC000638162025 352026664 /nfs/dbraw/zinc/02/66/64/352026664.db2.gz YVCGSXOPFONXMA-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1=CC[NH2+]CC1 ZINC000638175397 352041291 /nfs/dbraw/zinc/04/12/91/352041291.db2.gz AMUKNZCICKVLCX-UHFFFAOYSA-N 2 1 234.303 0.227 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000638282373 352120360 /nfs/dbraw/zinc/12/03/60/352120360.db2.gz DGKLFSRGZYSPIO-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000638282373 352120362 /nfs/dbraw/zinc/12/03/62/352120362.db2.gz DGKLFSRGZYSPIO-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000638287979 352124455 /nfs/dbraw/zinc/12/44/55/352124455.db2.gz YOFFKZQAVDHQRA-UTUOFQBUSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH3+] ZINC000638242653 352089296 /nfs/dbraw/zinc/08/92/96/352089296.db2.gz GCRRYBSAZMMTIC-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638252133 352095968 /nfs/dbraw/zinc/09/59/68/352095968.db2.gz PPMLUKUKZOQKGL-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638253241 352096528 /nfs/dbraw/zinc/09/65/28/352096528.db2.gz JCSYNJPZDZYNIB-JQWIXIFHSA-N 2 1 241.310 0.194 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638258218 352101731 /nfs/dbraw/zinc/10/17/31/352101731.db2.gz YSZXCDLPNYNPKX-BDAKNGLRSA-N 2 1 210.281 0.043 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262611 352104899 /nfs/dbraw/zinc/10/48/99/352104899.db2.gz PURNFJFMFSNZEC-UHFFFAOYSA-N 2 1 236.319 0.531 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000638263248 352105819 /nfs/dbraw/zinc/10/58/19/352105819.db2.gz USGXSCZYZSNSJU-UHFFFAOYSA-N 2 1 236.319 0.531 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638268103 352107875 /nfs/dbraw/zinc/10/78/75/352107875.db2.gz JGBLDGGDHUWYAA-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000638335097 352151898 /nfs/dbraw/zinc/15/18/98/352151898.db2.gz GIDMVCYARDUJHS-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000638388012 352197144 /nfs/dbraw/zinc/19/71/44/352197144.db2.gz NBQRMEBUISFCDV-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638338192 352157648 /nfs/dbraw/zinc/15/76/48/352157648.db2.gz SYEUZCBIESLYSL-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](C)[NH3+] ZINC000638380058 352190327 /nfs/dbraw/zinc/19/03/27/352190327.db2.gz ADJWPYHVGGILAC-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000638313325 352140121 /nfs/dbraw/zinc/14/01/21/352140121.db2.gz UAEZXTVRPIBFLO-RTXFEEFZSA-N 2 1 249.358 0.587 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638429888 352237860 /nfs/dbraw/zinc/23/78/60/352237860.db2.gz JDTMKQUADUIKAQ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638430580 352238712 /nfs/dbraw/zinc/23/87/12/352238712.db2.gz MVEHDRDJMPGOJE-NXEZZACHSA-N 2 1 240.282 0.089 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCCC2)C1 ZINC000638409637 352216704 /nfs/dbraw/zinc/21/67/04/352216704.db2.gz NCRGLAKLEAGCHP-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417458 352226927 /nfs/dbraw/zinc/22/69/27/352226927.db2.gz HMMPYFJASQDHNL-UHFFFAOYSA-N 2 1 234.303 0.141 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638424579 352232228 /nfs/dbraw/zinc/23/22/28/352232228.db2.gz CZBITJYGHISWAO-XSRFYTQQSA-N 2 1 237.347 0.196 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638441491 352247405 /nfs/dbraw/zinc/24/74/05/352247405.db2.gz XDJOCJGBYPYWMT-NSHDSACASA-N 2 1 222.292 0.060 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506906 352328640 /nfs/dbraw/zinc/32/86/40/352328640.db2.gz ZWBIYDJZWNECBN-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512645 352338529 /nfs/dbraw/zinc/33/85/29/352338529.db2.gz JNPAMFMFGVBIJN-LLVKDONJSA-N 2 1 248.330 0.592 20 0 BCADMP CCN[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414952075 352371946 /nfs/dbraw/zinc/37/19/46/352371946.db2.gz HZSREWBUWFWHEI-QJPTWQEYSA-N 2 1 213.369 0.962 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638730069 352592493 /nfs/dbraw/zinc/59/24/93/352592493.db2.gz RELDJENSIIENGC-DMDPSCGWSA-N 2 1 237.347 0.196 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165697 352613823 /nfs/dbraw/zinc/61/38/23/352613823.db2.gz RZYGVPRTGOOPLS-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751164 352655684 /nfs/dbraw/zinc/65/56/84/352655684.db2.gz LJSJUQXBVXOQOQ-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638765694 352704761 /nfs/dbraw/zinc/70/47/61/352704761.db2.gz LANMENNLUVGUJB-WCBMZHEXSA-N 2 1 222.292 0.058 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000334217666 352819057 /nfs/dbraw/zinc/81/90/57/352819057.db2.gz HOYSAWIEFFBIKZ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000334217666 352819060 /nfs/dbraw/zinc/81/90/60/352819060.db2.gz HOYSAWIEFFBIKZ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000334314282 352945137 /nfs/dbraw/zinc/94/51/37/352945137.db2.gz MBZHWEBJRRZMTF-NWDGAFQWSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000334314282 352945139 /nfs/dbraw/zinc/94/51/39/352945139.db2.gz MBZHWEBJRRZMTF-NWDGAFQWSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](C)C ZINC000334314691 352945491 /nfs/dbraw/zinc/94/54/91/352945491.db2.gz MMRWZDBDBCCKTM-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000629531120 538107771 /nfs/dbraw/zinc/10/77/71/538107771.db2.gz ARXQXHSNEAUWAQ-JTQLQIEISA-N 3 1 238.335 0.381 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261953045 535196803 /nfs/dbraw/zinc/19/68/03/535196803.db2.gz OFTGUILSPCPTDX-GFCCVEGCSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261953045 535196807 /nfs/dbraw/zinc/19/68/07/535196807.db2.gz OFTGUILSPCPTDX-GFCCVEGCSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484910 358474286 /nfs/dbraw/zinc/47/42/86/358474286.db2.gz ZUKCLACBZNMPEL-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H]([NH2+]CC(F)(F)CO)C1CC[NH+](C)CC1 ZINC000231792630 538107336 /nfs/dbraw/zinc/10/73/36/538107336.db2.gz IDMXZOFSHTUTGI-VIFPVBQESA-N 2 1 236.306 0.934 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924794 353085537 /nfs/dbraw/zinc/08/55/37/353085537.db2.gz FTNNKOQKWPJGCP-TUAOUCFPSA-N 2 1 237.347 0.434 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925879 353086834 /nfs/dbraw/zinc/08/68/34/353086834.db2.gz BPLNKWPGZBXRPC-PHIMTYICSA-N 2 1 234.303 0.154 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638930778 353091955 /nfs/dbraw/zinc/09/19/55/353091955.db2.gz MDYWWFUADXGZIL-SCZZXKLOSA-N 2 1 222.292 0.140 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000054133393 188006691 /nfs/dbraw/zinc/00/66/91/188006691.db2.gz WEZYDCKFKQEIIU-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000127131653 188047766 /nfs/dbraw/zinc/04/77/66/188047766.db2.gz HKOHWBUYNKXXKS-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163225673 188048307 /nfs/dbraw/zinc/04/83/07/188048307.db2.gz ZXHGVEZBALAGDF-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163225673 188048309 /nfs/dbraw/zinc/04/83/09/188048309.db2.gz ZXHGVEZBALAGDF-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000054133500 188048589 /nfs/dbraw/zinc/04/85/89/188048589.db2.gz LUEZEFHGJOOOCT-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074274 353253398 /nfs/dbraw/zinc/25/33/98/353253398.db2.gz ZSUSTEGATMSNSO-LBPRGKRZSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000639018581 353274608 /nfs/dbraw/zinc/27/46/08/353274608.db2.gz ONWHQZUCZSJFIJ-SNVBAGLBSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000639018581 353274609 /nfs/dbraw/zinc/27/46/09/353274609.db2.gz ONWHQZUCZSJFIJ-SNVBAGLBSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC=CCC1 ZINC000355368445 188236716 /nfs/dbraw/zinc/23/67/16/188236716.db2.gz SXQHOQKRNWZSAO-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000355368445 188236717 /nfs/dbraw/zinc/23/67/17/188236717.db2.gz SXQHOQKRNWZSAO-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000355368445 188236718 /nfs/dbraw/zinc/23/67/18/188236718.db2.gz SXQHOQKRNWZSAO-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[NH3+] ZINC000251786760 353288118 /nfs/dbraw/zinc/28/81/18/353288118.db2.gz NFMISMLWBUSGDI-UWVGGRQHSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359304422 188241820 /nfs/dbraw/zinc/24/18/20/188241820.db2.gz KMGRPDQZIQRSRJ-IJLUTSLNSA-N 2 1 239.363 0.393 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251819492 353292880 /nfs/dbraw/zinc/29/28/80/353292880.db2.gz OWWCSQBRLBTKBL-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000044802722 188258201 /nfs/dbraw/zinc/25/82/01/188258201.db2.gz RVXNPXUKPQCTBY-MNOVXSKESA-N 2 1 227.352 0.285 20 0 BCADMP CC(C)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000036787400 188286499 /nfs/dbraw/zinc/28/64/99/188286499.db2.gz YAGPAXUHRDBWEO-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000070967162 188287554 /nfs/dbraw/zinc/28/75/54/188287554.db2.gz FPBNURGFVNEMKH-LLVKDONJSA-N 2 1 210.321 0.992 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252439753 353299675 /nfs/dbraw/zinc/29/96/75/353299675.db2.gz SFONRDQYIAQCBS-HBNTYKKESA-N 2 1 227.352 0.428 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252757478 353304318 /nfs/dbraw/zinc/30/43/18/353304318.db2.gz CAACEFVLEPLWMD-DCAQKATOSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252757478 353304320 /nfs/dbraw/zinc/30/43/20/353304320.db2.gz CAACEFVLEPLWMD-DCAQKATOSA-N 2 1 228.336 0.997 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1nccn1C ZINC000252894344 353312913 /nfs/dbraw/zinc/31/29/13/353312913.db2.gz UXWHPXDHVDSRNQ-WDEREUQCSA-N 2 1 222.336 0.850 20 0 BCADMP COCC1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC1 ZINC000639049230 353343418 /nfs/dbraw/zinc/34/34/18/353343418.db2.gz LAWRQZSDRVEBNE-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP COCC1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000639049230 353343421 /nfs/dbraw/zinc/34/34/21/353343421.db2.gz LAWRQZSDRVEBNE-CYBMUJFWSA-N 2 1 242.363 0.459 20 0 BCADMP CO[C@@](C)(C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639048911 353343716 /nfs/dbraw/zinc/34/37/16/353343716.db2.gz CJZAWRXCTRVCJX-QWHCGFSZSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@@](C)(C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639048911 353343717 /nfs/dbraw/zinc/34/37/17/353343717.db2.gz CJZAWRXCTRVCJX-QWHCGFSZSA-N 2 1 242.363 0.458 20 0 BCADMP CCC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049612 353344149 /nfs/dbraw/zinc/34/41/49/353344149.db2.gz WCDDDVFOMUHJMF-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049612 353344153 /nfs/dbraw/zinc/34/41/53/353344153.db2.gz WCDDDVFOMUHJMF-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000639049201 353347623 /nfs/dbraw/zinc/34/76/23/353347623.db2.gz KCCFKZNGLRVKGZ-AEJSXWLSSA-N 2 1 234.290 0.686 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639049201 353347626 /nfs/dbraw/zinc/34/76/26/353347626.db2.gz KCCFKZNGLRVKGZ-AEJSXWLSSA-N 2 1 234.290 0.686 20 0 BCADMP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000520813063 324110142 /nfs/dbraw/zinc/11/01/42/324110142.db2.gz PJYTWWHYKQOEOA-NXEZZACHSA-N 2 1 238.339 0.332 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000520813063 324110145 /nfs/dbraw/zinc/11/01/45/324110145.db2.gz PJYTWWHYKQOEOA-NXEZZACHSA-N 2 1 238.339 0.332 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000571669493 353490089 /nfs/dbraw/zinc/49/00/89/353490089.db2.gz QIERPOJUFCHUDQ-NWDGAFQWSA-N 3 1 213.369 0.964 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094646925 353519671 /nfs/dbraw/zinc/51/96/71/353519671.db2.gz YVEACNMOXWLFBK-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000193309843 353590443 /nfs/dbraw/zinc/59/04/43/353590443.db2.gz NKQBHHFIDNAJBQ-VHSXEESVSA-N 2 1 227.352 0.713 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112410 353550794 /nfs/dbraw/zinc/55/07/94/353550794.db2.gz QFFWTMABOORHKT-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000577883105 366095395 /nfs/dbraw/zinc/09/53/95/366095395.db2.gz MIRGHHMOMOFQNW-NKWVEPMBSA-N 2 1 223.267 0.213 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000639112028 353703869 /nfs/dbraw/zinc/70/38/69/353703869.db2.gz MFQIBSCRDUMDAL-WOPDTQHZSA-N 2 1 241.379 0.829 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000639112028 353703870 /nfs/dbraw/zinc/70/38/70/353703870.db2.gz MFQIBSCRDUMDAL-WOPDTQHZSA-N 2 1 241.379 0.829 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000639112026 353703906 /nfs/dbraw/zinc/70/39/06/353703906.db2.gz MFQIBSCRDUMDAL-UTUOFQBUSA-N 2 1 241.379 0.829 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000639112026 353703908 /nfs/dbraw/zinc/70/39/08/353703908.db2.gz MFQIBSCRDUMDAL-UTUOFQBUSA-N 2 1 241.379 0.829 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000261545241 535247205 /nfs/dbraw/zinc/24/72/05/535247205.db2.gz JRYKRNYLEPHZAB-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627096889 363257372 /nfs/dbraw/zinc/25/73/72/363257372.db2.gz FOCFDDOHPOSSAH-OPRDCNLKSA-N 2 1 228.340 0.116 20 0 BCADMP CCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000343407031 353878341 /nfs/dbraw/zinc/87/83/41/353878341.db2.gz VTKUQHCWKIGPAP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000343407031 353878343 /nfs/dbraw/zinc/87/83/43/353878343.db2.gz VTKUQHCWKIGPAP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C2)C1 ZINC000343746566 353970909 /nfs/dbraw/zinc/97/09/09/353970909.db2.gz TUMXYZSLVHMPOV-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)C2)C1 ZINC000343746566 353970912 /nfs/dbraw/zinc/97/09/12/353970912.db2.gz TUMXYZSLVHMPOV-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP CO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OC)C2)C1 ZINC000343746566 353970914 /nfs/dbraw/zinc/97/09/14/353970914.db2.gz TUMXYZSLVHMPOV-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1CO ZINC000343755541 353973414 /nfs/dbraw/zinc/97/34/14/353973414.db2.gz XXZBPZVVFJMTCL-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1CO ZINC000343755541 353973417 /nfs/dbraw/zinc/97/34/17/353973417.db2.gz XXZBPZVVFJMTCL-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@@H]1CO ZINC000343755541 353973420 /nfs/dbraw/zinc/97/34/20/353973420.db2.gz XXZBPZVVFJMTCL-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@@H]1CO ZINC000343755541 353973422 /nfs/dbraw/zinc/97/34/22/353973422.db2.gz XXZBPZVVFJMTCL-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117709 363283837 /nfs/dbraw/zinc/28/38/37/363283837.db2.gz WBBQXBIHIXZCBB-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CO[C@@H](C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000639167743 354039609 /nfs/dbraw/zinc/03/96/09/354039609.db2.gz KQQZVOFRDRXVPE-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP C[NH+](C)CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC000343857748 354024126 /nfs/dbraw/zinc/02/41/26/354024126.db2.gz VVDVGVUWRYPSOO-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044226 354110805 /nfs/dbraw/zinc/11/08/05/354110805.db2.gz JBWVHANGBUWTGB-ZDUSSCGKSA-N 2 1 245.411 0.837 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000344182375 354176606 /nfs/dbraw/zinc/17/66/06/354176606.db2.gz HKZXGRTXHIPVSQ-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627135094 363351271 /nfs/dbraw/zinc/35/12/71/363351271.db2.gz NCHFJLYKVQCHFM-GHMZBOCLSA-N 2 1 240.351 0.071 20 0 BCADMP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627134882 363351343 /nfs/dbraw/zinc/35/13/43/363351343.db2.gz GMIUDSDISVEHLY-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344306821 354215885 /nfs/dbraw/zinc/21/58/85/354215885.db2.gz YEMVDVXXIABXFW-LLVKDONJSA-N 2 1 239.363 0.705 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750950 202019381 /nfs/dbraw/zinc/01/93/81/202019381.db2.gz KIDIEYJJHBGPEF-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP COCCC[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000344776247 354361888 /nfs/dbraw/zinc/36/18/88/354361888.db2.gz PCOYHUPVILDMMC-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000344776247 354361889 /nfs/dbraw/zinc/36/18/89/354361889.db2.gz PCOYHUPVILDMMC-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000344776247 354361891 /nfs/dbraw/zinc/36/18/91/354361891.db2.gz PCOYHUPVILDMMC-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344776247 354361892 /nfs/dbraw/zinc/36/18/92/354361892.db2.gz PCOYHUPVILDMMC-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000344776249 354363038 /nfs/dbraw/zinc/36/30/38/354363038.db2.gz PCOYHUPVILDMMC-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000344776249 354363041 /nfs/dbraw/zinc/36/30/41/354363041.db2.gz PCOYHUPVILDMMC-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344776249 354363043 /nfs/dbraw/zinc/36/30/43/354363043.db2.gz PCOYHUPVILDMMC-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344776249 354363047 /nfs/dbraw/zinc/36/30/47/354363047.db2.gz PCOYHUPVILDMMC-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000578013522 366179980 /nfs/dbraw/zinc/17/99/80/366179980.db2.gz RJWSQKWNLQNJHU-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345709062 354755614 /nfs/dbraw/zinc/75/56/14/354755614.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345709062 354755616 /nfs/dbraw/zinc/75/56/16/354755616.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345709062 354755618 /nfs/dbraw/zinc/75/56/18/354755618.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750953 202020873 /nfs/dbraw/zinc/02/08/73/202020873.db2.gz KIDIEYJJHBGPEF-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000235468793 363445347 /nfs/dbraw/zinc/44/53/47/363445347.db2.gz CYKDOZDUCXFPPU-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH3+] ZINC000166061185 354969400 /nfs/dbraw/zinc/96/94/00/354969400.db2.gz CMAYYLCLMHMSAT-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000346542700 354982447 /nfs/dbraw/zinc/98/24/47/354982447.db2.gz IWHQSQHIIWGYMM-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000113437971 354997823 /nfs/dbraw/zinc/99/78/23/354997823.db2.gz DIABXDUEDXFGMX-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000113437971 354997827 /nfs/dbraw/zinc/99/78/27/354997827.db2.gz DIABXDUEDXFGMX-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000335202479 355036737 /nfs/dbraw/zinc/03/67/37/355036737.db2.gz CDUYJOLSLDYGJI-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000335202479 355036740 /nfs/dbraw/zinc/03/67/40/355036740.db2.gz CDUYJOLSLDYGJI-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000335202479 355036744 /nfs/dbraw/zinc/03/67/44/355036744.db2.gz CDUYJOLSLDYGJI-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000335202479 355036747 /nfs/dbraw/zinc/03/67/47/355036747.db2.gz CDUYJOLSLDYGJI-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000346657042 355004827 /nfs/dbraw/zinc/00/48/27/355004827.db2.gz SWWUXSIGTQZHCS-GHMZBOCLSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000346657042 355004828 /nfs/dbraw/zinc/00/48/28/355004828.db2.gz SWWUXSIGTQZHCS-GHMZBOCLSA-N 2 1 245.330 0.898 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686315 355013090 /nfs/dbraw/zinc/01/30/90/355013090.db2.gz UAOVNTWDFWGCSL-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686315 355013092 /nfs/dbraw/zinc/01/30/92/355013092.db2.gz UAOVNTWDFWGCSL-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693024 355075999 /nfs/dbraw/zinc/07/59/99/355075999.db2.gz KJPMDRYGEWXMFM-ZYHUDNBSSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693024 355076004 /nfs/dbraw/zinc/07/60/04/355076004.db2.gz KJPMDRYGEWXMFM-ZYHUDNBSSA-N 2 1 249.362 0.712 20 0 BCADMP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1CCOC ZINC000346816980 355122890 /nfs/dbraw/zinc/12/28/90/355122890.db2.gz BJYCYOKTDGETEA-GFCCVEGCSA-N 2 1 243.395 0.766 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503643 358493941 /nfs/dbraw/zinc/49/39/41/358493941.db2.gz WXLANANQACWFBT-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833702 355130858 /nfs/dbraw/zinc/13/08/58/355130858.db2.gz MJUZGSSONGIJTC-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833702 355130859 /nfs/dbraw/zinc/13/08/59/355130859.db2.gz MJUZGSSONGIJTC-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000346836749 355131695 /nfs/dbraw/zinc/13/16/95/355131695.db2.gz VGIRPMFBRIONLF-ZMLRMANQSA-N 2 1 220.320 0.969 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000346836749 355131697 /nfs/dbraw/zinc/13/16/97/355131697.db2.gz VGIRPMFBRIONLF-ZMLRMANQSA-N 2 1 220.320 0.969 20 0 BCADMP COC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346836327 355131739 /nfs/dbraw/zinc/13/17/39/355131739.db2.gz OZTDNAOZXRCHGU-GFCCVEGCSA-N 2 1 240.347 0.871 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346850237 355137567 /nfs/dbraw/zinc/13/75/67/355137567.db2.gz PUJYHNBPWYFGTG-NEPJUHHUSA-N 2 1 239.363 0.716 20 0 BCADMP CCC[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000347008729 355204062 /nfs/dbraw/zinc/20/40/62/355204062.db2.gz SAXZWSLMMMLZBT-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000623226456 355291287 /nfs/dbraw/zinc/29/12/87/355291287.db2.gz BCDHLSGRHTZHJI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623226456 355291292 /nfs/dbraw/zinc/29/12/92/355291292.db2.gz BCDHLSGRHTZHJI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623226456 355291295 /nfs/dbraw/zinc/29/12/95/355291295.db2.gz BCDHLSGRHTZHJI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2=O)CC[N@H+]1C ZINC000639259623 355309948 /nfs/dbraw/zinc/30/99/48/355309948.db2.gz BTANNCDYEMHTRC-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000583502554 355331574 /nfs/dbraw/zinc/33/15/74/355331574.db2.gz UXETWNLHXNSOAJ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295241 487527635 /nfs/dbraw/zinc/52/76/35/487527635.db2.gz GNKDJQSRJOPHOV-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H](C[C@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000414892229 191616979 /nfs/dbraw/zinc/61/69/79/191616979.db2.gz XNOSWGLRIXBXBD-QWHCGFSZSA-N 2 1 240.395 0.012 20 0 BCADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000582181801 355645934 /nfs/dbraw/zinc/64/59/34/355645934.db2.gz RUJZUEHGOKSNAP-JHJVBQTASA-N 3 1 241.379 0.472 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(CF)CC1 ZINC000583573340 355655510 /nfs/dbraw/zinc/65/55/10/355655510.db2.gz QWPZLIURDQROHF-GFCCVEGCSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573340 355655513 /nfs/dbraw/zinc/65/55/13/355655513.db2.gz QWPZLIURDQROHF-GFCCVEGCSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573340 355655516 /nfs/dbraw/zinc/65/55/16/355655516.db2.gz QWPZLIURDQROHF-GFCCVEGCSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CF)CC1 ZINC000583573340 355655519 /nfs/dbraw/zinc/65/55/19/355655519.db2.gz QWPZLIURDQROHF-GFCCVEGCSA-N 2 1 232.343 0.981 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000417886838 355632022 /nfs/dbraw/zinc/63/20/22/355632022.db2.gz ZGUDSWHAQZDEOW-WCABBAIRSA-N 2 1 240.351 0.116 20 0 BCADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000639329211 355742304 /nfs/dbraw/zinc/74/23/04/355742304.db2.gz VSYMSKNIDSWPMF-GMTAPVOTSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000639329211 355742305 /nfs/dbraw/zinc/74/23/05/355742305.db2.gz VSYMSKNIDSWPMF-GMTAPVOTSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323215 191793027 /nfs/dbraw/zinc/79/30/27/191793027.db2.gz GHJVKUICCXTAJF-WDEREUQCSA-N 2 1 242.367 0.365 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417448955 191843079 /nfs/dbraw/zinc/84/30/79/191843079.db2.gz WZUUAIQXGZDSAV-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000383975399 355840235 /nfs/dbraw/zinc/84/02/35/355840235.db2.gz KZSXQFQRHJYZBJ-NWDGAFQWSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000383975399 355840239 /nfs/dbraw/zinc/84/02/39/355840239.db2.gz KZSXQFQRHJYZBJ-NWDGAFQWSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417632818 191909868 /nfs/dbraw/zinc/90/98/68/191909868.db2.gz XIWYZYKOGBENLU-BDAKNGLRSA-N 2 1 228.340 0.116 20 0 BCADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336040983 134062052 /nfs/dbraw/zinc/06/20/52/134062052.db2.gz OTVGCBVTDCOQQN-QWHCGFSZSA-N 2 1 225.380 0.964 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000167321949 355991470 /nfs/dbraw/zinc/99/14/70/355991470.db2.gz CBBGEVOFXZLBPX-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335911682 356126467 /nfs/dbraw/zinc/12/64/67/356126467.db2.gz ZRNHNDKFZBFRSN-STQMWFEESA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335911682 356126470 /nfs/dbraw/zinc/12/64/70/356126470.db2.gz ZRNHNDKFZBFRSN-STQMWFEESA-N 2 1 223.364 0.670 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000332180647 356209534 /nfs/dbraw/zinc/20/95/34/356209534.db2.gz ONKNTSNNAIOHQD-LLVKDONJSA-N 2 1 240.351 0.071 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H](C)[NH2+]C ZINC000420240775 192184546 /nfs/dbraw/zinc/18/45/46/192184546.db2.gz MGGVYWSJPRRNGQ-VIFPVBQESA-N 2 1 237.303 0.700 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420297649 192204576 /nfs/dbraw/zinc/20/45/76/192204576.db2.gz YZVVHRGSEAYITR-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420297649 192204578 /nfs/dbraw/zinc/20/45/78/192204578.db2.gz YZVVHRGSEAYITR-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)C1CCC1 ZINC000420300318 192207446 /nfs/dbraw/zinc/20/74/46/192207446.db2.gz JZESKPAORFLYRU-UHFFFAOYSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336122273 134091754 /nfs/dbraw/zinc/09/17/54/134091754.db2.gz VLCGHHUCJAEKNF-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336122273 134091755 /nfs/dbraw/zinc/09/17/55/134091755.db2.gz VLCGHHUCJAEKNF-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336122273 134091756 /nfs/dbraw/zinc/09/17/56/134091756.db2.gz VLCGHHUCJAEKNF-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420297650 192205192 /nfs/dbraw/zinc/20/51/92/192205192.db2.gz YZVVHRGSEAYITR-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420297650 192205194 /nfs/dbraw/zinc/20/51/94/192205194.db2.gz YZVVHRGSEAYITR-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@@H+](CCCO)CC[C@H]1CC[NH2+]C1 ZINC000420302543 192206858 /nfs/dbraw/zinc/20/68/58/192206858.db2.gz MOAUJVOOIXINDG-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC000420319084 192195234 /nfs/dbraw/zinc/19/52/34/192195234.db2.gz XBFPUCRTKUIZKU-LLVKDONJSA-N 2 1 245.342 0.666 20 0 BCADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000420282054 192199398 /nfs/dbraw/zinc/19/93/98/192199398.db2.gz AKZNFBPSWBBTLH-XQQFMLRXSA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000420282054 192199401 /nfs/dbraw/zinc/19/94/01/192199401.db2.gz AKZNFBPSWBBTLH-XQQFMLRXSA-N 3 1 223.364 0.812 20 0 BCADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000617752642 356311628 /nfs/dbraw/zinc/31/16/28/356311628.db2.gz RGLIXDKYQPWZAH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[NH3+] ZINC000420291165 192201893 /nfs/dbraw/zinc/20/18/93/192201893.db2.gz WSYNSAKZQHEROL-UHFFFAOYSA-N 2 1 223.276 0.653 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000420301342 192207155 /nfs/dbraw/zinc/20/71/55/192207155.db2.gz VNRJGQRGFXGZLQ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301270 192207216 /nfs/dbraw/zinc/20/72/16/192207216.db2.gz LFZAHWUNCWKNGW-RYUDHWBXSA-N 2 1 244.404 0.786 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCCC[C@H]2C[NH3+])CCO1 ZINC000420291840 192202912 /nfs/dbraw/zinc/20/29/12/192202912.db2.gz LFGVMYKNEJYEGL-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC[C@H]2C[NH3+])CCO1 ZINC000420291840 192202915 /nfs/dbraw/zinc/20/29/15/192202915.db2.gz LFGVMYKNEJYEGL-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420303128 192207294 /nfs/dbraw/zinc/20/72/94/192207294.db2.gz HCVVTUOMCYUUJS-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP NC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292668 192203259 /nfs/dbraw/zinc/20/32/59/192203259.db2.gz PUQANGORTNXRLO-VXGBXAGGSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292668 192203260 /nfs/dbraw/zinc/20/32/60/192203260.db2.gz PUQANGORTNXRLO-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292668 192203263 /nfs/dbraw/zinc/20/32/63/192203263.db2.gz PUQANGORTNXRLO-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP COC(=O)CC1(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000420318413 192213939 /nfs/dbraw/zinc/21/39/39/192213939.db2.gz OALOFQIJEYQSDE-MNOVXSKESA-N 2 1 240.347 0.999 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000420332792 192214245 /nfs/dbraw/zinc/21/42/45/192214245.db2.gz BZAXWAKKLXTNRQ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000420332792 192214246 /nfs/dbraw/zinc/21/42/46/192214246.db2.gz BZAXWAKKLXTNRQ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337367 192214716 /nfs/dbraw/zinc/21/47/16/192214716.db2.gz WUAOEDCKQNFIIO-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420353019 192217521 /nfs/dbraw/zinc/21/75/21/192217521.db2.gz BEQYVHHLCXELFL-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349930 192217711 /nfs/dbraw/zinc/21/77/11/192217711.db2.gz FFPDKMWUGIEWDC-JHJVBQTASA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349930 192217713 /nfs/dbraw/zinc/21/77/13/192217713.db2.gz FFPDKMWUGIEWDC-JHJVBQTASA-N 2 1 244.379 0.833 20 0 BCADMP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000336359996 356347701 /nfs/dbraw/zinc/34/77/01/356347701.db2.gz WTQRADYMKDPXDG-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307586 192209194 /nfs/dbraw/zinc/20/91/94/192209194.db2.gz RLSDGOVOUSEVFN-VXGBXAGGSA-N 2 1 239.363 0.442 20 0 BCADMP CCCC[N@@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000420307576 192209418 /nfs/dbraw/zinc/20/94/18/192209418.db2.gz RLMWVYZXVQVNCT-UHFFFAOYSA-N 2 1 243.395 0.640 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420311170 192211486 /nfs/dbraw/zinc/21/14/86/192211486.db2.gz GYSGYLZOWXPNRR-MNOVXSKESA-N 2 1 226.320 0.481 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420313490 192212113 /nfs/dbraw/zinc/21/21/13/192212113.db2.gz UCPFVKWWCYYLOG-WDEREUQCSA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367398 192226114 /nfs/dbraw/zinc/22/61/14/192226114.db2.gz VRFIRTJHBBFRMM-MNOVXSKESA-N 2 1 228.336 0.727 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420322694 192226949 /nfs/dbraw/zinc/22/69/49/192226949.db2.gz XBPWAWZHYDSYCD-CMPLNLGQSA-N 2 1 211.353 0.655 20 0 BCADMP CN(CC[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000420322694 192226952 /nfs/dbraw/zinc/22/69/52/192226952.db2.gz XBPWAWZHYDSYCD-CMPLNLGQSA-N 2 1 211.353 0.655 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328447 192228983 /nfs/dbraw/zinc/22/89/83/192228983.db2.gz MNHRDHZHCVZLLC-RYUDHWBXSA-N 2 1 240.347 0.871 20 0 BCADMP COCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420357884 192219538 /nfs/dbraw/zinc/21/95/38/192219538.db2.gz DWARZCMYJHNDOC-IJLUTSLNSA-N 2 1 230.352 0.626 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420357030 192220720 /nfs/dbraw/zinc/22/07/20/192220720.db2.gz HJYSHGKAHPDBIQ-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP CCC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000420363683 192223439 /nfs/dbraw/zinc/22/34/39/192223439.db2.gz BVXSHFRWYJGIEU-CHWSQXEVSA-N 2 1 243.395 0.766 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000420377369 192234168 /nfs/dbraw/zinc/23/41/68/192234168.db2.gz WFNXIQQIFKCPIY-MDZLAQPJSA-N 2 1 236.363 0.939 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383770 192234436 /nfs/dbraw/zinc/23/44/36/192234436.db2.gz DORCQKKLMVAVFM-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383770 192234437 /nfs/dbraw/zinc/23/44/37/192234437.db2.gz DORCQKKLMVAVFM-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383772 192235683 /nfs/dbraw/zinc/23/56/83/192235683.db2.gz DORCQKKLMVAVFM-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383772 192235685 /nfs/dbraw/zinc/23/56/85/192235685.db2.gz DORCQKKLMVAVFM-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)CCC[NH2+]C ZINC000420393998 192237620 /nfs/dbraw/zinc/23/76/20/192237620.db2.gz ZJAPINGNEUTSCY-UHFFFAOYSA-N 2 1 229.368 0.834 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374881 192231379 /nfs/dbraw/zinc/23/13/79/192231379.db2.gz OCGUMXOCLZWUFM-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC000420374881 192231381 /nfs/dbraw/zinc/23/13/81/192231381.db2.gz OCGUMXOCLZWUFM-GRYCIOLGSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC000420374881 192231384 /nfs/dbraw/zinc/23/13/84/192231384.db2.gz OCGUMXOCLZWUFM-GRYCIOLGSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374881 192231385 /nfs/dbraw/zinc/23/13/85/192231385.db2.gz OCGUMXOCLZWUFM-GRYCIOLGSA-N 2 1 211.353 0.655 20 0 BCADMP CCOCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375125 192231526 /nfs/dbraw/zinc/23/15/26/192231526.db2.gz SPUYDLNMBUUWBZ-HBNTYKKESA-N 2 1 200.326 0.999 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)N(C)C ZINC000420375180 192231682 /nfs/dbraw/zinc/23/16/82/192231682.db2.gz SUFLJFVTGDDRDM-SCVCMEIPSA-N 2 1 227.352 0.441 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420373198 192232181 /nfs/dbraw/zinc/23/21/81/192232181.db2.gz QWYPJYHZCPMBEA-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP COC[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375754 192232345 /nfs/dbraw/zinc/23/23/45/192232345.db2.gz UHVQUGJXPKCMMZ-UKKRHICBSA-N 2 1 200.326 0.997 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(C)(C)O ZINC000420381240 192233134 /nfs/dbraw/zinc/23/31/34/192233134.db2.gz ZBLKURMUVDORSH-OPRDCNLKSA-N 2 1 200.326 0.733 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379988 192233872 /nfs/dbraw/zinc/23/38/72/192233872.db2.gz BYDVGSCPTJIJLJ-QWHCGFSZSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379988 192233874 /nfs/dbraw/zinc/23/38/74/192233874.db2.gz BYDVGSCPTJIJLJ-QWHCGFSZSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@H]1C[C@H](O)C[N@H+]1CCc1cncn1C ZINC000639551699 356436917 /nfs/dbraw/zinc/43/69/17/356436917.db2.gz NBCSTGRJLJCKFJ-ONGXEEELSA-N 2 1 209.293 0.418 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019511327 356484018 /nfs/dbraw/zinc/48/40/18/356484018.db2.gz KLHMAELHTCGRPJ-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)CO ZINC000639582058 356502832 /nfs/dbraw/zinc/50/28/32/356502832.db2.gz ZTDCQPBXBIFFGU-NXEZZACHSA-N 2 1 211.309 0.569 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+]2CC[C@H]1C2)[NH+](C)C ZINC000615562633 491094669 /nfs/dbraw/zinc/09/46/69/491094669.db2.gz KKXRRMZKMIRAGI-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC[C@H](N[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780776 202034846 /nfs/dbraw/zinc/03/48/46/202034846.db2.gz VOZHCVBSFJVVSS-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780776 202034851 /nfs/dbraw/zinc/03/48/51/202034851.db2.gz VOZHCVBSFJVVSS-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP Cn1cncc1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000639659410 356568678 /nfs/dbraw/zinc/56/86/78/356568678.db2.gz OAWKSJYHOKXVHL-GFCCVEGCSA-N 2 1 223.320 0.809 20 0 BCADMP C[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684164 356600894 /nfs/dbraw/zinc/60/08/94/356600894.db2.gz SJHVFHWKROMYBI-GFCCVEGCSA-N 2 1 235.331 0.975 20 0 BCADMP CC[C@@H]1C[N@@H+](CCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000122746972 363544147 /nfs/dbraw/zinc/54/41/47/363544147.db2.gz XFVUEFFJHRIPDN-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](CCn3cncn3)C2)CC1 ZINC000639755092 356658348 /nfs/dbraw/zinc/65/83/48/356658348.db2.gz FFCDIMGEJGLWMF-UHFFFAOYSA-N 2 1 249.362 0.696 20 0 BCADMP CNC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760140 356675365 /nfs/dbraw/zinc/67/53/65/356675365.db2.gz RIABEWXFNBRPAQ-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248206 356679121 /nfs/dbraw/zinc/67/91/21/356679121.db2.gz OYOJCKPYTWWGAL-WDEREUQCSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@@H](O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764023 356690333 /nfs/dbraw/zinc/69/03/33/356690333.db2.gz SEDUNWUFCVMQAY-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767144 356696545 /nfs/dbraw/zinc/69/65/45/356696545.db2.gz PZHBZSFKYRYFNS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767144 356696546 /nfs/dbraw/zinc/69/65/46/356696546.db2.gz PZHBZSFKYRYFNS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC)CC1 ZINC000369172555 356983208 /nfs/dbraw/zinc/98/32/08/356983208.db2.gz WRXCQONWQAGNCU-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2(CCC2)C1 ZINC000582306425 357043669 /nfs/dbraw/zinc/04/36/69/357043669.db2.gz OQCZNWOLYYQZKZ-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000623393653 357002999 /nfs/dbraw/zinc/00/29/99/357002999.db2.gz MXQYWATUXDOYSM-GHMZBOCLSA-N 2 1 239.363 0.680 20 0 BCADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234865 192643359 /nfs/dbraw/zinc/64/33/59/192643359.db2.gz MJHWOKOUCSPYFF-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000392383411 357150707 /nfs/dbraw/zinc/15/07/07/357150707.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 1 237.351 0.585 20 0 BCADMP C[C@@]1(C(=O)NCC[N@@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392847893 357245512 /nfs/dbraw/zinc/24/55/12/357245512.db2.gz ZFPJRGLOSMZKHN-CYBMUJFWSA-N 2 1 237.347 0.364 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217362452 357260320 /nfs/dbraw/zinc/26/03/20/357260320.db2.gz JHOFEGXERBREBJ-ZJUUUORDSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+][C@H](CC(F)F)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392882623 357261200 /nfs/dbraw/zinc/26/12/00/357261200.db2.gz OHPBHJMKCUNBSI-SECBINFHSA-N 2 1 247.289 0.347 20 0 BCADMP CC(C)[C@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000394071848 357322873 /nfs/dbraw/zinc/32/28/73/357322873.db2.gz KPMGSGJUSBEMPN-AAEUAGOBSA-N 2 1 244.379 0.296 20 0 BCADMP CC(C)[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000394071848 357322875 /nfs/dbraw/zinc/32/28/75/357322875.db2.gz KPMGSGJUSBEMPN-AAEUAGOBSA-N 2 1 244.379 0.296 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582673560 357360195 /nfs/dbraw/zinc/36/01/95/357360195.db2.gz QEEXHNXMEFZCMS-DTWKUNHWSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623408369 357404679 /nfs/dbraw/zinc/40/46/79/357404679.db2.gz SXYBYENYOHYGAV-RYDUCSDGSA-N 2 1 226.364 0.933 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)O ZINC000395369380 357432843 /nfs/dbraw/zinc/43/28/43/357432843.db2.gz MLGIIGVHEHMXNT-WCQGTBRESA-N 2 1 230.352 0.191 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)O ZINC000395369380 357432849 /nfs/dbraw/zinc/43/28/49/357432849.db2.gz MLGIIGVHEHMXNT-WCQGTBRESA-N 2 1 230.352 0.191 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000582907481 357433145 /nfs/dbraw/zinc/43/31/45/357433145.db2.gz IIGWPSCXTYTQHL-CYBMUJFWSA-N 2 1 241.379 0.379 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000396746359 357482438 /nfs/dbraw/zinc/48/24/38/357482438.db2.gz ZAOYOOWRINSUMZ-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP COCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000583143550 357493710 /nfs/dbraw/zinc/49/37/10/357493710.db2.gz PPUCMHAUWAQFAS-GFCCVEGCSA-N 3 1 241.379 0.344 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188710146 357565836 /nfs/dbraw/zinc/56/58/36/357565836.db2.gz CEERLGMMWXHVRW-WDEREUQCSA-N 2 1 243.326 0.239 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CCCn1ccnc1 ZINC000189315256 357631280 /nfs/dbraw/zinc/63/12/80/357631280.db2.gz HPXMHOFNQPLVPP-NSHDSACASA-N 2 1 236.319 0.484 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189013097 357600486 /nfs/dbraw/zinc/60/04/86/357600486.db2.gz NEESTKJRWVTVKA-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C ZINC000232620981 357669585 /nfs/dbraw/zinc/66/95/85/357669585.db2.gz LAJDIELQEJRPFV-RYUDHWBXSA-N 2 1 213.369 0.996 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC1CC[NH2+]CC1 ZINC000190207071 357693044 /nfs/dbraw/zinc/69/30/44/357693044.db2.gz NERZAVNXISAFTA-UHFFFAOYSA-N 2 1 235.278 0.086 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392883766 357700396 /nfs/dbraw/zinc/70/03/96/357700396.db2.gz PGKHSXYAAOSGEB-CYBMUJFWSA-N 2 1 239.363 0.882 20 0 BCADMP CN(C)c1ncc(CNC[C@@H](O)C(F)F)n1C ZINC000234288641 357779806 /nfs/dbraw/zinc/77/98/06/357779806.db2.gz CTLKUCYWKUULOM-MRVPVSSYSA-N 2 1 248.277 0.202 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192471699 357836100 /nfs/dbraw/zinc/83/61/00/357836100.db2.gz DJJWMVKAPKKQIM-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000235045041 357841951 /nfs/dbraw/zinc/84/19/51/357841951.db2.gz KAZHJVCJWIASFX-NXEZZACHSA-N 2 1 245.392 0.229 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000235045041 357841954 /nfs/dbraw/zinc/84/19/54/357841954.db2.gz KAZHJVCJWIASFX-NXEZZACHSA-N 2 1 245.392 0.229 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000370683754 134226988 /nfs/dbraw/zinc/22/69/88/134226988.db2.gz ZOTVMXPCXFUDAV-QWHCGFSZSA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000370683754 134226989 /nfs/dbraw/zinc/22/69/89/134226989.db2.gz ZOTVMXPCXFUDAV-QWHCGFSZSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cncn3)CC[C@H]21 ZINC000370683754 134226990 /nfs/dbraw/zinc/22/69/90/134226990.db2.gz ZOTVMXPCXFUDAV-QWHCGFSZSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cncn3)CC[C@H]21 ZINC000370683754 134226991 /nfs/dbraw/zinc/22/69/91/134226991.db2.gz ZOTVMXPCXFUDAV-QWHCGFSZSA-N 2 1 249.362 0.694 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[N@H+]1C ZINC000399068244 357894975 /nfs/dbraw/zinc/89/49/75/357894975.db2.gz MZBKUDXFLSFRLO-USWWRNFRSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399082184 357896198 /nfs/dbraw/zinc/89/61/98/357896198.db2.gz SJTNNHGZFJYXED-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[N@H+]1C ZINC000399068230 357894489 /nfs/dbraw/zinc/89/44/89/357894489.db2.gz MZBKUDXFLSFRLO-ADEWGFFLSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192985084 357863426 /nfs/dbraw/zinc/86/34/26/357863426.db2.gz YGRFFFNXUVEJEC-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000584403363 357910626 /nfs/dbraw/zinc/91/06/26/357910626.db2.gz ZAXAJXUSGDRNGC-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000584403363 357910629 /nfs/dbraw/zinc/91/06/29/357910629.db2.gz ZAXAJXUSGDRNGC-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP COC[C@](C)(CO)[NH2+]CCn1cc[nH+]c1C ZINC000639956408 357979325 /nfs/dbraw/zinc/97/93/25/357979325.db2.gz FFBZLTVUTKPPLW-NSHDSACASA-N 2 1 227.308 0.179 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975716 358000948 /nfs/dbraw/zinc/00/09/48/358000948.db2.gz WBIBOJLNCHCNTP-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530511 358042358 /nfs/dbraw/zinc/04/23/58/358042358.db2.gz VGTXYKHGHFRNFA-LBPRGKRZSA-N 3 1 241.379 0.283 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530511 358042362 /nfs/dbraw/zinc/04/23/62/358042362.db2.gz VGTXYKHGHFRNFA-LBPRGKRZSA-N 3 1 241.379 0.283 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000221297052 358069865 /nfs/dbraw/zinc/06/98/65/358069865.db2.gz QEOCJNQTROQCRF-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000221297052 358069866 /nfs/dbraw/zinc/06/98/66/358069866.db2.gz QEOCJNQTROQCRF-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000037038099 358064211 /nfs/dbraw/zinc/06/42/11/358064211.db2.gz LHHCYHMZJXSZGL-UHFFFAOYSA-N 2 1 239.285 0.905 20 0 BCADMP [NH3+]CCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000037038099 358064213 /nfs/dbraw/zinc/06/42/13/358064213.db2.gz LHHCYHMZJXSZGL-UHFFFAOYSA-N 2 1 239.285 0.905 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037609490 358083534 /nfs/dbraw/zinc/08/35/34/358083534.db2.gz WODMKDYOSDZPBF-NEPJUHHUSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423304177 192692833 /nfs/dbraw/zinc/69/28/33/192692833.db2.gz NKGPZKOINXECST-SRVKXCTJSA-N 2 1 223.364 0.953 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000217953593 535406759 /nfs/dbraw/zinc/40/67/59/535406759.db2.gz RJKXMPYNIGBTPZ-WHOHXGKFSA-N 2 1 241.379 0.829 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217953593 535406764 /nfs/dbraw/zinc/40/67/64/535406764.db2.gz RJKXMPYNIGBTPZ-WHOHXGKFSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000224973006 358242807 /nfs/dbraw/zinc/24/28/07/358242807.db2.gz RPMDZAIXHXCYIB-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000227089133 358348821 /nfs/dbraw/zinc/34/88/21/358348821.db2.gz ICLOXNISNXSNOB-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000227089133 358348822 /nfs/dbraw/zinc/34/88/22/358348822.db2.gz ICLOXNISNXSNOB-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP COC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000227638827 358361480 /nfs/dbraw/zinc/36/14/80/358361480.db2.gz UGFGMDUNAQNLSK-PSEXLTFBSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000227833509 358364783 /nfs/dbraw/zinc/36/47/83/358364783.db2.gz ITSOWTRAZNEHQA-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000227833509 358364785 /nfs/dbraw/zinc/36/47/85/358364785.db2.gz ITSOWTRAZNEHQA-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)OC)C1 ZINC000173889507 134278482 /nfs/dbraw/zinc/27/84/82/134278482.db2.gz MYISEVCPIWGVFE-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)OC)C1 ZINC000173889507 134278483 /nfs/dbraw/zinc/27/84/83/134278483.db2.gz MYISEVCPIWGVFE-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000173889507 134278484 /nfs/dbraw/zinc/27/84/84/134278484.db2.gz MYISEVCPIWGVFE-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000173889507 134278485 /nfs/dbraw/zinc/27/84/85/134278485.db2.gz MYISEVCPIWGVFE-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000044538999 358391054 /nfs/dbraw/zinc/39/10/54/358391054.db2.gz CLNWRKSPKQQHNO-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000044725575 358392170 /nfs/dbraw/zinc/39/21/70/358392170.db2.gz QDUZDNVTXACRNN-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000044725577 358392256 /nfs/dbraw/zinc/39/22/56/358392256.db2.gz QDUZDNVTXACRNN-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230191532 358395707 /nfs/dbraw/zinc/39/57/07/358395707.db2.gz APCDGISACBPSON-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CN1CCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC000180419271 366450680 /nfs/dbraw/zinc/45/06/80/366450680.db2.gz GZXUYCWZCQSKBR-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948490 358412909 /nfs/dbraw/zinc/41/29/09/358412909.db2.gz BIHCHFYVRFRIFT-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598810 358434314 /nfs/dbraw/zinc/43/43/14/358434314.db2.gz SWHNWXBMVQVKAY-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193598810 358434317 /nfs/dbraw/zinc/43/43/17/358434317.db2.gz SWHNWXBMVQVKAY-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193598810 358434319 /nfs/dbraw/zinc/43/43/19/358434319.db2.gz SWHNWXBMVQVKAY-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000516979946 358965385 /nfs/dbraw/zinc/96/53/85/358965385.db2.gz SPJMLRQVTLYJJT-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402731 358966586 /nfs/dbraw/zinc/96/65/86/358966586.db2.gz OATUVQZPPOPFEH-PWSUYJOCSA-N 2 1 211.353 0.940 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000086435740 358976477 /nfs/dbraw/zinc/97/64/77/358976477.db2.gz CEGKMKRMHCBHQH-GFCCVEGCSA-N 2 1 227.352 0.132 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000086435740 358976478 /nfs/dbraw/zinc/97/64/78/358976478.db2.gz CEGKMKRMHCBHQH-GFCCVEGCSA-N 2 1 227.352 0.132 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000076003905 359264646 /nfs/dbraw/zinc/26/46/46/359264646.db2.gz HGIMMUCQVWYMSN-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H](C(N)=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488045 359335125 /nfs/dbraw/zinc/33/51/25/359335125.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000572282827 359349563 /nfs/dbraw/zinc/34/95/63/359349563.db2.gz QFTAHIPAYCVQBP-GFCCVEGCSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2(N(C)C)CC2)C1 ZINC000611748777 359441708 /nfs/dbraw/zinc/44/17/08/359441708.db2.gz ABOSJLFAJVDOJF-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)C1 ZINC000611748777 359441717 /nfs/dbraw/zinc/44/17/17/359441717.db2.gz ABOSJLFAJVDOJF-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423479934 192787655 /nfs/dbraw/zinc/78/76/55/192787655.db2.gz VQCVKAFCXLSNMC-JFGNBEQYSA-N 2 1 211.353 0.796 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000379605831 359565639 /nfs/dbraw/zinc/56/56/39/359565639.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000379605831 359565643 /nfs/dbraw/zinc/56/56/43/359565643.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C ZINC000379605831 359565647 /nfs/dbraw/zinc/56/56/47/359565647.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C ZINC000379605831 359565650 /nfs/dbraw/zinc/56/56/50/359565650.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000379605832 359565666 /nfs/dbraw/zinc/56/56/66/359565666.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000379605832 359565668 /nfs/dbraw/zinc/56/56/68/359565668.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000379605832 359565671 /nfs/dbraw/zinc/56/56/71/359565671.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C ZINC000379605832 359565674 /nfs/dbraw/zinc/56/56/74/359565674.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454903 359616230 /nfs/dbraw/zinc/61/62/30/359616230.db2.gz SZUJMUSPYWWFGH-VHSXEESVSA-N 2 1 227.352 0.713 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450854440 202290652 /nfs/dbraw/zinc/29/06/52/202290652.db2.gz KLCNMKGAXSWLIT-STQMWFEESA-N 2 1 242.363 0.743 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450854440 202290655 /nfs/dbraw/zinc/29/06/55/202290655.db2.gz KLCNMKGAXSWLIT-STQMWFEESA-N 2 1 242.363 0.743 20 0 BCADMP C[NH+](C)C1(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000613860734 363670100 /nfs/dbraw/zinc/67/01/00/363670100.db2.gz GRLYKJZSIOYXQC-UHFFFAOYSA-N 2 1 237.347 0.387 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000578631053 366614329 /nfs/dbraw/zinc/61/43/29/366614329.db2.gz OCAGDRRPDXBYEN-WDEREUQCSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091209 359937353 /nfs/dbraw/zinc/93/73/53/359937353.db2.gz ZCHJCGYUQQDBTN-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164349 359939455 /nfs/dbraw/zinc/93/94/55/359939455.db2.gz WVTWMOCBLLQVCN-YATPEIPISA-N 2 1 239.363 0.855 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091666494 360121912 /nfs/dbraw/zinc/12/19/12/360121912.db2.gz DGXLURJTCQBAGI-AGIUHOORSA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091666494 360121916 /nfs/dbraw/zinc/12/19/16/360121916.db2.gz DGXLURJTCQBAGI-AGIUHOORSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000094447093 360309221 /nfs/dbraw/zinc/30/92/21/360309221.db2.gz JEDOTZQUTDJMHG-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+](C)C ZINC000628750229 360629896 /nfs/dbraw/zinc/62/98/96/360629896.db2.gz OHAAFXJUFMTZKD-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000448027156 200680495 /nfs/dbraw/zinc/68/04/95/200680495.db2.gz LPZUWYBMJKTEAM-UHFFFAOYSA-N 2 1 244.379 0.849 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444175821 200706597 /nfs/dbraw/zinc/70/65/97/200706597.db2.gz MFUBIUSLUBFCLG-OSMZGAPFSA-N 2 1 249.358 0.339 20 0 BCADMP CC(C)N1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398883 361047049 /nfs/dbraw/zinc/04/70/49/361047049.db2.gz ZZDUTUAJZZITSD-UHFFFAOYSA-N 2 1 243.395 0.814 20 0 BCADMP CC(C)[NH+]1CCC(NCCOCCC[NH3+])CC1 ZINC000629398883 361047054 /nfs/dbraw/zinc/04/70/54/361047054.db2.gz ZZDUTUAJZZITSD-UHFFFAOYSA-N 2 1 243.395 0.814 20 0 BCADMP Cc1nc(C[NH2+]CCOCCC[NH3+])cs1 ZINC000629398499 361049061 /nfs/dbraw/zinc/04/90/61/361049061.db2.gz UWWKPHBVUKTPHB-UHFFFAOYSA-N 2 1 229.349 0.907 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000629408655 361059145 /nfs/dbraw/zinc/05/91/45/361059145.db2.gz YBUHJOWKOKIDAU-MEWQQHAOSA-N 2 1 223.364 0.952 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629519699 361120135 /nfs/dbraw/zinc/12/01/35/361120135.db2.gz HJSLVZYJLPHDKU-VHSXEESVSA-N 2 1 220.320 0.833 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516085 361110118 /nfs/dbraw/zinc/11/01/18/361110118.db2.gz WZVOEYIJJUVGSA-VXGBXAGGSA-N 3 1 241.379 0.615 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC1CCC([NH3+])CC1 ZINC000629527727 361133691 /nfs/dbraw/zinc/13/36/91/361133691.db2.gz DDMRKQBKUQKXDA-MMVSWEMESA-N 2 1 211.353 0.986 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629528493 361136552 /nfs/dbraw/zinc/13/65/52/361136552.db2.gz AMYXYVDGDCGVHG-NEPJUHHUSA-N 3 1 229.368 0.295 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000629528493 361136559 /nfs/dbraw/zinc/13/65/59/361136559.db2.gz AMYXYVDGDCGVHG-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629530330 361144362 /nfs/dbraw/zinc/14/43/62/361144362.db2.gz CQOIKDLCDQSBBV-ZDUSSCGKSA-N 2 1 242.363 0.853 20 0 BCADMP C[N@H+](CCOC1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000629532127 361152148 /nfs/dbraw/zinc/15/21/48/361152148.db2.gz MXSIPKJIDMVLNO-CYBMUJFWSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCOC1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000629532127 361152151 /nfs/dbraw/zinc/15/21/51/361152151.db2.gz MXSIPKJIDMVLNO-CYBMUJFWSA-N 2 1 242.363 0.851 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000629523157 361124102 /nfs/dbraw/zinc/12/41/02/361124102.db2.gz AIYVHAQDHMZJAR-NRMKKVEVSA-N 2 1 245.326 0.985 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629525178 361125495 /nfs/dbraw/zinc/12/54/95/361125495.db2.gz YLSQZOOGABVXDW-NAKRPEOUSA-N 2 1 225.336 0.371 20 0 BCADMP C[NH+](C)[C@@H](C[NH2+]CCC(N)=O)C1CCCCC1 ZINC000579111230 366713625 /nfs/dbraw/zinc/71/36/25/366713625.db2.gz YAZZGUCFWFTZSQ-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227116 366738045 /nfs/dbraw/zinc/73/80/45/366738045.db2.gz MTZCMGMUJCVCRZ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000579229572 366739267 /nfs/dbraw/zinc/73/92/67/366739267.db2.gz JBELVLOMCLUJIE-OUAUKWLOSA-N 2 1 227.352 0.713 20 0 BCADMP COC(=O)CC1(C[NH+]2CCC([NH3+])CC2)CC1 ZINC000579231735 366739859 /nfs/dbraw/zinc/73/98/59/366739859.db2.gz RSVGTXRMDDYAHA-UHFFFAOYSA-N 2 1 226.320 0.753 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000622044381 370676814 /nfs/dbraw/zinc/67/68/14/370676814.db2.gz DARSGRQQNCLFEH-YUSALJHKSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428798234 201043914 /nfs/dbraw/zinc/04/39/14/201043914.db2.gz ASBDQIVRIUXHHQ-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429189619 201079208 /nfs/dbraw/zinc/07/92/08/201079208.db2.gz CLKJHOKHHVAMDN-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429239479 201083056 /nfs/dbraw/zinc/08/30/56/201083056.db2.gz QPVCEONDNUEIFP-UTUOFQBUSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000429410057 201107131 /nfs/dbraw/zinc/10/71/31/201107131.db2.gz ZDNLRWCSBAWMTK-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCOC1CCOCC1 ZINC000629536945 361399554 /nfs/dbraw/zinc/39/95/54/361399554.db2.gz HTWUCFABKWDPMT-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCOC1CCOCC1 ZINC000629536945 361399556 /nfs/dbraw/zinc/39/95/56/361399556.db2.gz HTWUCFABKWDPMT-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP [NH3+]CCCOCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629536676 361399637 /nfs/dbraw/zinc/39/96/37/361399637.db2.gz GWTPBZLVRKPNIU-FOSCPWQOSA-N 2 1 227.352 0.224 20 0 BCADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629540173 361414098 /nfs/dbraw/zinc/41/40/98/361414098.db2.gz UULOKZPHONCQEM-VXGBXAGGSA-N 2 1 229.368 0.601 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629540173 361414102 /nfs/dbraw/zinc/41/41/02/361414102.db2.gz UULOKZPHONCQEM-VXGBXAGGSA-N 2 1 229.368 0.601 20 0 BCADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629540172 361414350 /nfs/dbraw/zinc/41/43/50/361414350.db2.gz UULOKZPHONCQEM-RYUDHWBXSA-N 2 1 229.368 0.601 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629540172 361414354 /nfs/dbraw/zinc/41/43/54/361414354.db2.gz UULOKZPHONCQEM-RYUDHWBXSA-N 2 1 229.368 0.601 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000579452071 366805911 /nfs/dbraw/zinc/80/59/11/366805911.db2.gz OTQIGUYHKYJDKU-SNVBAGLBSA-N 2 1 240.351 0.132 20 0 BCADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547652 361431367 /nfs/dbraw/zinc/43/13/67/361431367.db2.gz UXWCDQXWXBNOKM-UWVGGRQHSA-N 2 1 207.277 0.757 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000629549273 361434693 /nfs/dbraw/zinc/43/46/93/361434693.db2.gz GVSGZDGDCZISDY-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629549273 361434696 /nfs/dbraw/zinc/43/46/96/361434696.db2.gz GVSGZDGDCZISDY-SRVKXCTJSA-N 2 1 211.353 0.940 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541599 361416477 /nfs/dbraw/zinc/41/64/77/361416477.db2.gz RVJVSKZFMJTSRG-CHWSQXEVSA-N 3 1 243.395 0.672 20 0 BCADMP CCN1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541599 361416479 /nfs/dbraw/zinc/41/64/79/361416479.db2.gz RVJVSKZFMJTSRG-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP O=C1[C@@H]([NH2+]C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000629556550 361450381 /nfs/dbraw/zinc/45/03/81/361450381.db2.gz SBRIBOGTHRQKCH-LBPRGKRZSA-N 2 1 237.347 0.481 20 0 BCADMP Cc1ncsc1CC[N@@H+](C)CCOCC[NH3+] ZINC000629578182 361464435 /nfs/dbraw/zinc/46/44/35/361464435.db2.gz NWEOZDJQBCNRRZ-UHFFFAOYSA-N 2 1 243.376 0.901 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947996 201158694 /nfs/dbraw/zinc/15/86/94/201158694.db2.gz GRHZXVMTSZZXDB-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947996 201158695 /nfs/dbraw/zinc/15/86/95/201158695.db2.gz GRHZXVMTSZZXDB-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC[C@H]1CCCO1 ZINC000629579337 361465070 /nfs/dbraw/zinc/46/50/70/361465070.db2.gz SDBFNNYESRGCMQ-GFCCVEGCSA-N 2 1 246.351 0.089 20 0 BCADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430942595 201159060 /nfs/dbraw/zinc/15/90/60/201159060.db2.gz MFIYHHXXFNRKAI-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430942595 201159063 /nfs/dbraw/zinc/15/90/63/201159063.db2.gz MFIYHHXXFNRKAI-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430940952 201159075 /nfs/dbraw/zinc/15/90/75/201159075.db2.gz SLKUAVDOPYDLLX-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430940952 201159077 /nfs/dbraw/zinc/15/90/77/201159077.db2.gz SLKUAVDOPYDLLX-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC1CCOCC1 ZINC000629581072 361470837 /nfs/dbraw/zinc/47/08/37/361470837.db2.gz MCZXAHGUNYZNOW-UHFFFAOYSA-N 2 1 246.351 0.089 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCCCO1 ZINC000629581372 361471572 /nfs/dbraw/zinc/47/15/72/361471572.db2.gz YLDLTZSZIZTWMV-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430951131 201159983 /nfs/dbraw/zinc/15/99/83/201159983.db2.gz UGFTWLCLTRHEKT-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430951131 201159985 /nfs/dbraw/zinc/15/99/85/201159985.db2.gz UGFTWLCLTRHEKT-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP CCN(CC[NH3+])CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000629558333 361452667 /nfs/dbraw/zinc/45/26/67/361452667.db2.gz XBQKIZLURIOPPU-TXEJJXNPSA-N 2 1 227.352 0.130 20 0 BCADMP CCN(CC[NH3+])CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000629558333 361452668 /nfs/dbraw/zinc/45/26/68/361452668.db2.gz XBQKIZLURIOPPU-TXEJJXNPSA-N 2 1 227.352 0.130 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430951130 201158412 /nfs/dbraw/zinc/15/84/12/201158412.db2.gz UGFTWLCLTRHEKT-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430951130 201158414 /nfs/dbraw/zinc/15/84/14/201158414.db2.gz UGFTWLCLTRHEKT-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1=CCCOC1 ZINC000629654962 361558407 /nfs/dbraw/zinc/55/84/07/361558407.db2.gz UUGMVPXGECGAOB-UHFFFAOYSA-N 2 1 228.336 0.501 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cncs1 ZINC000629653639 361553395 /nfs/dbraw/zinc/55/33/95/361553395.db2.gz KTRDCNWFCYGYOO-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cncs1 ZINC000629653639 361553400 /nfs/dbraw/zinc/55/34/00/361553400.db2.gz KTRDCNWFCYGYOO-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C)nc1C ZINC000629653739 361554310 /nfs/dbraw/zinc/55/43/10/361554310.db2.gz MTNKEWHLKLENOW-UHFFFAOYSA-N 2 1 240.351 0.396 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629672229 361613992 /nfs/dbraw/zinc/61/39/92/361613992.db2.gz OQNZSFJGBMZTPL-WRWGMCAJSA-N 2 1 211.353 0.715 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000195157525 361639398 /nfs/dbraw/zinc/63/93/98/361639398.db2.gz GOELIICOPAXDHI-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000435872158 201292286 /nfs/dbraw/zinc/29/22/86/201292286.db2.gz WVUCDERKHHIRJF-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436058320 201307837 /nfs/dbraw/zinc/30/78/37/201307837.db2.gz IOCJCQLRTHGLLO-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000435881371 201292905 /nfs/dbraw/zinc/29/29/05/201292905.db2.gz USFBVLMCOOSGDQ-NSHDSACASA-N 2 1 223.324 0.525 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000435881371 201292909 /nfs/dbraw/zinc/29/29/09/201292909.db2.gz USFBVLMCOOSGDQ-NSHDSACASA-N 2 1 223.324 0.525 20 0 BCADMP CC[C@@H]1CN(CCC[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000435872907 201292997 /nfs/dbraw/zinc/29/29/97/201292997.db2.gz SIWSFGHGPQPUMQ-QWHCGFSZSA-N 2 1 243.395 0.373 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822572 201353876 /nfs/dbraw/zinc/35/38/76/201353876.db2.gz NTRFOANFQOITMM-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000630409056 364141545 /nfs/dbraw/zinc/14/15/45/364141545.db2.gz YWGDEIILAVSQQX-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000373513714 181358378 /nfs/dbraw/zinc/35/83/78/181358378.db2.gz QQUYWRRAGQCVPA-QMMMGPOBSA-N 2 1 235.278 0.229 20 0 BCADMP CC[NH+](CC)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605482 364335463 /nfs/dbraw/zinc/33/54/63/364335463.db2.gz JGFAGDSTODWGED-NSHDSACASA-N 2 1 237.351 0.872 20 0 BCADMP c1c(C[C@@H]2CC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000630587304 364294062 /nfs/dbraw/zinc/29/40/62/364294062.db2.gz XYOLOFDYAAOTNM-JTQLQIEISA-N 2 1 229.287 0.814 20 0 BCADMP CC[NH+](CC)Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000630597123 364311647 /nfs/dbraw/zinc/31/16/47/364311647.db2.gz WHDLPZMHKBAUBB-LLVKDONJSA-N 2 1 223.324 0.654 20 0 BCADMP [NH3+]CCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000108325574 181367043 /nfs/dbraw/zinc/36/70/43/181367043.db2.gz VRRWDYBSUQMHEZ-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615310745 364685429 /nfs/dbraw/zinc/68/54/29/364685429.db2.gz XUXYPARZLJGXNB-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H](NC(=O)c1csc(C[NH3+])n1)[C@H](C)[NH3+] ZINC000567351350 364729066 /nfs/dbraw/zinc/72/90/66/364729066.db2.gz JBLXPXTVYNOJJA-NTSWFWBYSA-N 2 1 228.321 0.067 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000573501383 364850247 /nfs/dbraw/zinc/85/02/47/364850247.db2.gz JFPHSSHZBKKZEU-RKDXNWHRSA-N 2 1 249.305 0.556 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]CCc1c[nH+]cn1C ZINC000573428870 364829321 /nfs/dbraw/zinc/82/93/21/364829321.db2.gz UOOOEKRZWASGMD-LLVKDONJSA-N 2 1 248.334 0.623 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000573445393 364835057 /nfs/dbraw/zinc/83/50/57/364835057.db2.gz VEIBTKZVHDWSEP-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000573684998 364892046 /nfs/dbraw/zinc/89/20/46/364892046.db2.gz UPRVKOURFFPXDA-BDAKNGLRSA-N 2 1 238.339 0.330 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000154387140 541417409 /nfs/dbraw/zinc/41/74/09/541417409.db2.gz FAXPTYBCOPHMQV-YPMHNXCESA-N 3 1 243.395 0.229 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000573941569 364952126 /nfs/dbraw/zinc/95/21/26/364952126.db2.gz XBJBTDCHVGGZGF-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000573941569 364952130 /nfs/dbraw/zinc/95/21/30/364952130.db2.gz XBJBTDCHVGGZGF-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000573941569 364952135 /nfs/dbraw/zinc/95/21/35/364952135.db2.gz XBJBTDCHVGGZGF-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000573941569 364952137 /nfs/dbraw/zinc/95/21/37/364952137.db2.gz XBJBTDCHVGGZGF-IJLUTSLNSA-N 2 1 228.336 0.020 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000573966977 364955665 /nfs/dbraw/zinc/95/56/65/364955665.db2.gz ICUYJYJSEPXMMC-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC1CCOCC1 ZINC000574046942 364975046 /nfs/dbraw/zinc/97/50/46/364975046.db2.gz QSUVOAHGXJZTAO-ZDUSSCGKSA-N 2 1 244.379 0.705 20 0 BCADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C ZINC000162174314 541446691 /nfs/dbraw/zinc/44/66/91/541446691.db2.gz PECIJZIQCARMPP-CMPLNLGQSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+]CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000037039592 181391965 /nfs/dbraw/zinc/39/19/65/181391965.db2.gz RRFGSIGXLGKGAD-UHFFFAOYSA-N 2 1 220.320 0.158 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000574414693 365057792 /nfs/dbraw/zinc/05/77/92/365057792.db2.gz ZVDMGXURVHDTGX-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000574414693 365057797 /nfs/dbraw/zinc/05/77/97/365057797.db2.gz ZVDMGXURVHDTGX-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000574281922 365027070 /nfs/dbraw/zinc/02/70/70/365027070.db2.gz YZYWPXZIPVMLGK-NNYUYHANSA-N 2 1 239.363 0.665 20 0 BCADMP Cc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000574289801 365031305 /nfs/dbraw/zinc/03/13/05/365031305.db2.gz AJXPSLWNIRKKER-GHMZBOCLSA-N 2 1 246.314 0.138 20 0 BCADMP [NH3+]CCN1CC[NH+](Cc2cccs2)CC1 ZINC000019933483 181391676 /nfs/dbraw/zinc/39/16/76/181391676.db2.gz BMTWKCFUUIVIPS-UHFFFAOYSA-N 2 1 225.361 0.824 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCC[C@@H]2C[NH3+])CCO1 ZINC000574324594 365037213 /nfs/dbraw/zinc/03/72/13/365037213.db2.gz SSCPLBBVFSZNNQ-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]2C[NH3+])CCO1 ZINC000574324594 365037216 /nfs/dbraw/zinc/03/72/16/365037216.db2.gz SSCPLBBVFSZNNQ-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756801 365136766 /nfs/dbraw/zinc/13/67/66/365136766.db2.gz DKMJSQUARCHKIL-AGIUHOORSA-N 3 1 223.364 0.670 20 0 BCADMP C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756801 365136772 /nfs/dbraw/zinc/13/67/72/365136772.db2.gz DKMJSQUARCHKIL-AGIUHOORSA-N 2 1 223.364 0.670 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444172538 193039618 /nfs/dbraw/zinc/03/96/18/193039618.db2.gz BALAATGFDNSKSL-WCQYABFASA-N 2 1 248.330 0.307 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444179014 193040055 /nfs/dbraw/zinc/04/00/55/193040055.db2.gz CEOTZHNHRLMOPU-NQBHXWOUSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444179014 193040057 /nfs/dbraw/zinc/04/00/57/193040057.db2.gz CEOTZHNHRLMOPU-NQBHXWOUSA-N 2 1 237.347 0.149 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444165816 193040078 /nfs/dbraw/zinc/04/00/78/193040078.db2.gz IKELIHAHEFUSMB-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](CCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379851738 365317022 /nfs/dbraw/zinc/31/70/22/365317022.db2.gz KNOMUHATHGGSFQ-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@H](CCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379851738 365317028 /nfs/dbraw/zinc/31/70/28/365317028.db2.gz KNOMUHATHGGSFQ-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575923541 365415208 /nfs/dbraw/zinc/41/52/08/365415208.db2.gz VLZIKTJCOHZRKN-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000576110991 365491403 /nfs/dbraw/zinc/49/14/03/365491403.db2.gz GMBBQGMXLMPIPN-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352177784 541480053 /nfs/dbraw/zinc/48/00/53/541480053.db2.gz GBSFAHGQVGHOHW-NSHDSACASA-N 2 1 248.330 0.695 20 0 BCADMP O=C(CCc1cnc[nH]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000352177784 541480058 /nfs/dbraw/zinc/48/00/58/541480058.db2.gz GBSFAHGQVGHOHW-NSHDSACASA-N 2 1 248.330 0.695 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCOC[C@H]1CCCO1 ZINC000579818108 367021546 /nfs/dbraw/zinc/02/15/46/367021546.db2.gz LPLSHQOTXXKHJY-GFCCVEGCSA-N 2 1 230.352 0.723 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000579818108 367021550 /nfs/dbraw/zinc/02/15/50/367021550.db2.gz LPLSHQOTXXKHJY-GFCCVEGCSA-N 2 1 230.352 0.723 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCn1ccnc1 ZINC000622307906 370835598 /nfs/dbraw/zinc/83/55/98/370835598.db2.gz PBZZSLMIEFMXSB-UHFFFAOYSA-N 2 1 233.275 0.204 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000580841596 367185682 /nfs/dbraw/zinc/18/56/82/367185682.db2.gz UUXYYTYUFJYGRW-AVGNSLFASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000580841596 367185689 /nfs/dbraw/zinc/18/56/89/367185689.db2.gz UUXYYTYUFJYGRW-AVGNSLFASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1OCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000380493565 367221933 /nfs/dbraw/zinc/22/19/33/367221933.db2.gz BLWRMANSKIUWDX-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](COC)C(C)C ZINC000380972328 367328575 /nfs/dbraw/zinc/32/85/75/367328575.db2.gz ATPJGMXCCCHBCY-VXGBXAGGSA-N 2 1 232.368 0.560 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](COC)C(C)C ZINC000380972328 367328578 /nfs/dbraw/zinc/32/85/78/367328578.db2.gz ATPJGMXCCCHBCY-VXGBXAGGSA-N 2 1 232.368 0.560 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381215502 367365100 /nfs/dbraw/zinc/36/51/00/367365100.db2.gz FTKLRXANHPHARI-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000581437605 367471565 /nfs/dbraw/zinc/47/15/65/367471565.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000581437605 367471567 /nfs/dbraw/zinc/47/15/67/367471567.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000581437605 367471575 /nfs/dbraw/zinc/47/15/75/367471575.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)CO ZINC000581497462 367526431 /nfs/dbraw/zinc/52/64/31/367526431.db2.gz WJBAZUMGYSXATH-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)CO ZINC000581497462 367526434 /nfs/dbraw/zinc/52/64/34/367526434.db2.gz WJBAZUMGYSXATH-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)CO ZINC000581497462 367526442 /nfs/dbraw/zinc/52/64/42/367526442.db2.gz WJBAZUMGYSXATH-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)CO ZINC000581497462 367526448 /nfs/dbraw/zinc/52/64/48/367526448.db2.gz WJBAZUMGYSXATH-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CN(Cc1noc(C[NH3+])n1)C[C@H]1CCC[N@@H+]1C ZINC000382880600 367565372 /nfs/dbraw/zinc/56/53/72/367565372.db2.gz NBXMPJKMDJMNDP-SECBINFHSA-N 2 1 239.323 0.054 20 0 BCADMP CN(Cc1noc(C[NH3+])n1)C[C@H]1CCC[N@H+]1C ZINC000382880600 367565378 /nfs/dbraw/zinc/56/53/78/367565378.db2.gz NBXMPJKMDJMNDP-SECBINFHSA-N 2 1 239.323 0.054 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@@H](O)CN(C)C1CC1)C(C)(C)O ZINC000382865950 367565415 /nfs/dbraw/zinc/56/54/15/367565415.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865950 367565422 /nfs/dbraw/zinc/56/54/22/367565422.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865950 367565426 /nfs/dbraw/zinc/56/54/26/367565426.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865950 367565430 /nfs/dbraw/zinc/56/54/30/367565430.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(O)C1 ZINC000382843510 367563549 /nfs/dbraw/zinc/56/35/49/367563549.db2.gz XTKWUJGTMDXBIP-HBIQZDMRSA-N 2 1 212.337 0.687 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000383856871 367655834 /nfs/dbraw/zinc/65/58/34/367655834.db2.gz NBWRRNCLMUHCQT-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000383856871 367655836 /nfs/dbraw/zinc/65/58/36/367655836.db2.gz NBWRRNCLMUHCQT-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP CCOC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383794727 367654331 /nfs/dbraw/zinc/65/43/31/367654331.db2.gz RUGYSGSZCNZTCV-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CCOC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383794727 367654332 /nfs/dbraw/zinc/65/43/32/367654332.db2.gz RUGYSGSZCNZTCV-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000384040520 367669263 /nfs/dbraw/zinc/66/92/63/367669263.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 1 246.395 0.903 20 0 BCADMP COC(C)(C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000384095023 367672321 /nfs/dbraw/zinc/67/23/21/367672321.db2.gz VUBFPYYYTQXHNJ-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000384095023 367672322 /nfs/dbraw/zinc/67/23/22/367672322.db2.gz VUBFPYYYTQXHNJ-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000384095023 367672324 /nfs/dbraw/zinc/67/23/24/367672324.db2.gz VUBFPYYYTQXHNJ-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384095023 367672325 /nfs/dbraw/zinc/67/23/25/367672325.db2.gz VUBFPYYYTQXHNJ-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384798452 367734361 /nfs/dbraw/zinc/73/43/61/367734361.db2.gz BRLXGLNEDZBYAW-WDEREUQCSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000386114267 367914125 /nfs/dbraw/zinc/91/41/25/367914125.db2.gz BFYPLZUPDBNANV-SECBINFHSA-N 2 1 222.292 0.020 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000386114268 367914182 /nfs/dbraw/zinc/91/41/82/367914182.db2.gz BFYPLZUPDBNANV-VIFPVBQESA-N 2 1 222.292 0.020 20 0 BCADMP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000385966759 367891544 /nfs/dbraw/zinc/89/15/44/367891544.db2.gz ZPURBSAZQSWYAJ-YNEHKIRRSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000385966759 367891550 /nfs/dbraw/zinc/89/15/50/367891550.db2.gz ZPURBSAZQSWYAJ-YNEHKIRRSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386556139 367990482 /nfs/dbraw/zinc/99/04/82/367990482.db2.gz HYZRRFUERMGSIK-KXUCPTDWSA-N 2 1 213.325 0.371 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000386891217 368030963 /nfs/dbraw/zinc/03/09/63/368030963.db2.gz KFSJDJQZKRXYSL-JQYRIEHKSA-N 2 1 212.337 0.971 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442614256 201575780 /nfs/dbraw/zinc/57/57/80/201575780.db2.gz GNWZCTGPJZNORU-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000387423775 368178401 /nfs/dbraw/zinc/17/84/01/368178401.db2.gz OQHAROCBKKCXFG-CYBMUJFWSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243858 203026429 /nfs/dbraw/zinc/02/64/29/203026429.db2.gz QFAYUCDZIDZHJW-WDEREUQCSA-N 2 1 241.379 0.641 20 0 BCADMP CCOC(=O)C[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000086703187 368883615 /nfs/dbraw/zinc/88/36/15/368883615.db2.gz SPMQOOVBCXGMFX-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C[N@H+](Cc1cnc[nH]1)CC1CC[NH2+]CC1 ZINC000086702671 368883711 /nfs/dbraw/zinc/88/37/11/368883711.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP C[N@@H+](Cc1c[nH]cn1)CC1CC[NH2+]CC1 ZINC000086702671 368883713 /nfs/dbraw/zinc/88/37/13/368883713.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP C[N@H+](Cc1c[nH]cn1)CC1CC[NH2+]CC1 ZINC000086702671 368883719 /nfs/dbraw/zinc/88/37/19/368883719.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000631822491 368979015 /nfs/dbraw/zinc/97/90/15/368979015.db2.gz FTWAOOVLEIHVTP-MWLCHTKSSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000631822491 368979017 /nfs/dbraw/zinc/97/90/17/368979017.db2.gz FTWAOOVLEIHVTP-MWLCHTKSSA-N 2 1 220.320 0.954 20 0 BCADMP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000631823434 368982151 /nfs/dbraw/zinc/98/21/51/368982151.db2.gz DNKUOXFUICSKDO-DGCLKSJQSA-N 2 1 247.346 0.451 20 0 BCADMP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000631823436 368982469 /nfs/dbraw/zinc/98/24/69/368982469.db2.gz DNKUOXFUICSKDO-YPMHNXCESA-N 2 1 247.346 0.451 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(N)s1 ZINC000309816885 326169832 /nfs/dbraw/zinc/16/98/32/326169832.db2.gz VKTQRAOGENWASG-SFYZADRCSA-N 2 1 226.349 0.894 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1(C)C ZINC000623661096 369070262 /nfs/dbraw/zinc/07/02/62/369070262.db2.gz ICWCUAFMMUZGLR-GMTAPVOTSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631837961 369108108 /nfs/dbraw/zinc/10/81/08/369108108.db2.gz HQUPWYBXXMZMDQ-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000457747602 203096487 /nfs/dbraw/zinc/09/64/87/203096487.db2.gz VLWXWCKGZCDFEN-CMPLNLGQSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000457747602 203096490 /nfs/dbraw/zinc/09/64/90/203096490.db2.gz VLWXWCKGZCDFEN-CMPLNLGQSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000457747604 203096548 /nfs/dbraw/zinc/09/65/48/203096548.db2.gz VLWXWCKGZCDFEN-JQWIXIFHSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000457747604 203096551 /nfs/dbraw/zinc/09/65/51/203096551.db2.gz VLWXWCKGZCDFEN-JQWIXIFHSA-N 2 1 239.363 0.393 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840879 369311302 /nfs/dbraw/zinc/31/13/02/369311302.db2.gz VSCOAATYTSFOGK-JHJVBQTASA-N 2 1 242.363 0.709 20 0 BCADMP [NH3+]Cc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000567850269 326270081 /nfs/dbraw/zinc/27/00/81/326270081.db2.gz BGJXGNVEOFYNRV-CBLAIPOGSA-N 2 1 222.292 0.601 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789790 203369382 /nfs/dbraw/zinc/36/93/82/203369382.db2.gz FYILTHBEPJLBJV-TUAOUCFPSA-N 2 1 242.388 0.631 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863398 369611321 /nfs/dbraw/zinc/61/13/21/369611321.db2.gz ZTUOPGBQOUEMBA-XQHKEYJVSA-N 2 1 239.363 0.271 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863398 369611323 /nfs/dbraw/zinc/61/13/23/369611323.db2.gz ZTUOPGBQOUEMBA-XQHKEYJVSA-N 2 1 239.363 0.271 20 0 BCADMP C[C@H](NC(=O)[C@H]1CCCN1C)c1nccn1C ZINC000620599543 369949354 /nfs/dbraw/zinc/94/93/54/369949354.db2.gz GDXSMKIDQXGCLB-VHSXEESVSA-N 2 1 236.319 0.692 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000252671481 370109807 /nfs/dbraw/zinc/10/98/07/370109807.db2.gz VXAYLOZXHBEMTR-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000253237566 370167578 /nfs/dbraw/zinc/16/75/78/370167578.db2.gz PAECRHUXAXVWOQ-VXGBXAGGSA-N 2 1 222.336 0.800 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252881484 370137907 /nfs/dbraw/zinc/13/79/07/370137907.db2.gz YTGAIPBPUWUIBE-WCFLWFBJSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568248574 326334351 /nfs/dbraw/zinc/33/43/51/326334351.db2.gz VDIBVYJGADDZHJ-RHYQMDGZSA-N 3 1 211.353 0.844 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690155 370438789 /nfs/dbraw/zinc/43/87/89/370438789.db2.gz QFQRTKJRZCUBLI-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000621772477 370516213 /nfs/dbraw/zinc/51/62/13/370516213.db2.gz FFPKTICXIVOAAY-WCFLWFBJSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000621772477 370516218 /nfs/dbraw/zinc/51/62/18/370516218.db2.gz FFPKTICXIVOAAY-WCFLWFBJSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000631880002 370615877 /nfs/dbraw/zinc/61/58/77/370615877.db2.gz KVOJENOZTHFNNP-QWHCGFSZSA-N 2 1 241.379 0.247 20 0 BCADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1ccc[nH]c1=O ZINC000623777392 371089610 /nfs/dbraw/zinc/08/96/10/371089610.db2.gz CQVHABQXDJTQDU-GXSJLCMTSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccc[nH]c1=O ZINC000623777392 371089617 /nfs/dbraw/zinc/08/96/17/371089617.db2.gz CQVHABQXDJTQDU-GXSJLCMTSA-N 2 1 221.304 0.827 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000624130520 371331512 /nfs/dbraw/zinc/33/15/12/371331512.db2.gz PYFFDJVBLFUJSZ-FIQHERPVSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000624130521 371331658 /nfs/dbraw/zinc/33/16/58/371331658.db2.gz PYFFDJVBLFUJSZ-KKOKHZNYSA-N 2 1 239.363 0.570 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624133073 371335145 /nfs/dbraw/zinc/33/51/45/371335145.db2.gz HTDWCSZGDUDVNU-HOMQSWHASA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1C[C@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228536 371416431 /nfs/dbraw/zinc/41/64/31/371416431.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228536 371416436 /nfs/dbraw/zinc/41/64/36/371416436.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228536 371416441 /nfs/dbraw/zinc/41/64/41/371416441.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000624234970 371422384 /nfs/dbraw/zinc/42/23/84/371422384.db2.gz AFMPWSIVBWDWCA-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000627474953 371644567 /nfs/dbraw/zinc/64/45/67/371644567.db2.gz BTFOLCOJUSLFQR-SNVBAGLBSA-N 2 1 238.335 0.505 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC000627650984 371810199 /nfs/dbraw/zinc/81/01/99/371810199.db2.gz ZJABJFPMCSKLPQ-WHOHXGKFSA-N 2 1 237.347 0.099 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH+](C)C)C1CC1 ZINC000171198612 372459182 /nfs/dbraw/zinc/45/91/82/372459182.db2.gz JIPAYDPWWASUAU-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[NH+](C)C ZINC000171374427 372563442 /nfs/dbraw/zinc/56/34/42/372563442.db2.gz PUKSOFCTHXSMLA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821175 372595524 /nfs/dbraw/zinc/59/55/24/372595524.db2.gz QTKWWRYQZIJATL-SRVKXCTJSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821175 372595526 /nfs/dbraw/zinc/59/55/26/372595526.db2.gz QTKWWRYQZIJATL-SRVKXCTJSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821174 372595562 /nfs/dbraw/zinc/59/55/62/372595562.db2.gz QTKWWRYQZIJATL-SDDRHHMPSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821174 372595567 /nfs/dbraw/zinc/59/55/67/372595567.db2.gz QTKWWRYQZIJATL-SDDRHHMPSA-N 2 1 249.362 0.967 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631822251 372599463 /nfs/dbraw/zinc/59/94/63/372599463.db2.gz XVXBTSSXZSFDLC-SRVKXCTJSA-N 2 1 249.362 0.825 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827791 372607308 /nfs/dbraw/zinc/60/73/08/372607308.db2.gz WTMVAZRVPALQRV-UZWSLXQKSA-N 2 1 249.362 0.742 20 0 BCADMP C[N@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)[NH3+] ZINC000631829608 372610874 /nfs/dbraw/zinc/61/08/74/372610874.db2.gz VYPGZABJINOSHG-VIFPVBQESA-N 2 1 223.324 0.435 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)[NH3+] ZINC000631829608 372610879 /nfs/dbraw/zinc/61/08/79/372610879.db2.gz VYPGZABJINOSHG-VIFPVBQESA-N 2 1 223.324 0.435 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000631830038 372613444 /nfs/dbraw/zinc/61/34/44/372613444.db2.gz HWNIDJOIWQNUKJ-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000631839707 372635658 /nfs/dbraw/zinc/63/56/58/372635658.db2.gz JTWNXBQRIPXPCI-ZYHUDNBSSA-N 2 1 212.337 0.940 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840574 372636158 /nfs/dbraw/zinc/63/61/58/372636158.db2.gz UEILAJSBHOSYCK-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840782 372638456 /nfs/dbraw/zinc/63/84/56/372638456.db2.gz DUXFULDTKKPYMU-RTXFEEFZSA-N 2 1 247.342 0.740 20 0 BCADMP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840782 372638460 /nfs/dbraw/zinc/63/84/60/372638460.db2.gz DUXFULDTKKPYMU-RTXFEEFZSA-N 2 1 247.342 0.740 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842043 372640592 /nfs/dbraw/zinc/64/05/92/372640592.db2.gz ULAVNPLSXFVPDJ-GRYCIOLGSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842216 372641861 /nfs/dbraw/zinc/64/18/61/372641861.db2.gz XANZPIANVOTJNS-OUAUKWLOSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825861 372603954 /nfs/dbraw/zinc/60/39/54/372603954.db2.gz XKGBHIXTPOEVAX-FIQHERPVSA-N 2 1 210.321 0.563 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824780 372604219 /nfs/dbraw/zinc/60/42/19/372604219.db2.gz QBDXSEYSPHXPBL-IJLUTSLNSA-N 2 1 249.362 0.825 20 0 BCADMP Nc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631863074 372665072 /nfs/dbraw/zinc/66/50/72/372665072.db2.gz QOGXRSUMGUUMBF-UHFFFAOYSA-N 2 1 249.358 0.815 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC ZINC000631890550 372687218 /nfs/dbraw/zinc/68/72/18/372687218.db2.gz QHFOHYLJZYIZOE-FRRDWIJNSA-N 2 1 242.363 0.722 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000632060120 372742160 /nfs/dbraw/zinc/74/21/60/372742160.db2.gz CHMMIBSMJNFKLC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300851 374125359 /nfs/dbraw/zinc/12/53/59/374125359.db2.gz NAYPPNCTJXLKHB-VXGBXAGGSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300576 374127311 /nfs/dbraw/zinc/12/73/11/374127311.db2.gz DFMWFENAWQXMIL-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424132084 206033402 /nfs/dbraw/zinc/03/34/02/206033402.db2.gz KGLGUADHRYHWPH-GDPRMGEGSA-N 2 1 236.319 0.291 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424132086 206033495 /nfs/dbraw/zinc/03/34/95/206033495.db2.gz KGLGUADHRYHWPH-IEBDPFPHSA-N 2 1 236.319 0.291 20 0 BCADMP CC[N@H+]1C[C@H](NC[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000309053263 170036041 /nfs/dbraw/zinc/03/60/41/170036041.db2.gz SFKGDEPUQBCWCJ-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000309053263 170036042 /nfs/dbraw/zinc/03/60/42/170036042.db2.gz SFKGDEPUQBCWCJ-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155884409 206069607 /nfs/dbraw/zinc/06/96/07/206069607.db2.gz YXTCKQAQXUHLQB-VXGBXAGGSA-N 2 1 230.352 0.722 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000376528231 182304581 /nfs/dbraw/zinc/30/45/81/182304581.db2.gz UYYBDYOBHBEKIG-TUAOUCFPSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000044726676 182335093 /nfs/dbraw/zinc/33/50/93/182335093.db2.gz MNRZXWQSIHQOMO-ONGXEEELSA-N 2 1 223.320 0.091 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000132897783 182336475 /nfs/dbraw/zinc/33/64/75/182336475.db2.gz QHKNBDVDOOMGAJ-TUAOUCFPSA-N 2 1 237.347 0.481 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000166638317 206142945 /nfs/dbraw/zinc/14/29/45/206142945.db2.gz LQAZFINVPYUEBN-ZDUSSCGKSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340139700 169069635 /nfs/dbraw/zinc/06/96/35/169069635.db2.gz VZRNHLGTSGCJSN-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000355473008 169071678 /nfs/dbraw/zinc/07/16/78/169071678.db2.gz NALIVTLLEMUADW-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C ZINC000309653825 169071714 /nfs/dbraw/zinc/07/17/14/169071714.db2.gz UVAHUYXYVWCEKK-SECBINFHSA-N 2 1 201.314 0.052 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000228125913 183203872 /nfs/dbraw/zinc/20/38/72/183203872.db2.gz APCRVSADWOGUKO-FDYHWXHSSA-N 2 1 224.348 0.689 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357238592 169078511 /nfs/dbraw/zinc/07/85/11/169078511.db2.gz ILCCHCOJVXXCHK-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357290727 169075616 /nfs/dbraw/zinc/07/56/16/169075616.db2.gz DIDGNZGUYHMXLM-NTZNESFSSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000309616759 169066277 /nfs/dbraw/zinc/06/62/77/169066277.db2.gz OACSLOMRDDYWHT-SECBINFHSA-N 2 1 201.314 0.134 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236762088 169078592 /nfs/dbraw/zinc/07/85/92/169078592.db2.gz UENDAJHUCPJVHZ-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000043493599 169093482 /nfs/dbraw/zinc/09/34/82/169093482.db2.gz QTXYPQPAGXXUHB-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000043493599 169093485 /nfs/dbraw/zinc/09/34/85/169093485.db2.gz QTXYPQPAGXXUHB-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000226407163 169122320 /nfs/dbraw/zinc/12/23/20/169122320.db2.gz UEZXGDCJVHVMEJ-CYBMUJFWSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000035140070 169189351 /nfs/dbraw/zinc/18/93/51/169189351.db2.gz SOMDOXRMVAXKTR-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000373799135 169193856 /nfs/dbraw/zinc/19/38/56/169193856.db2.gz HGEUDIAFGWLZTP-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000358828130 169195784 /nfs/dbraw/zinc/19/57/84/169195784.db2.gz JZVGGEPQCBZSAI-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000236803991 169259251 /nfs/dbraw/zinc/25/92/51/169259251.db2.gz ZSDNGXBJSFZXMA-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122296498 169245930 /nfs/dbraw/zinc/24/59/30/169245930.db2.gz VNZZCQQFAZKGFO-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133306 169389808 /nfs/dbraw/zinc/38/98/08/169389808.db2.gz WPCCMUFYEUTMIF-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223954888 134343752 /nfs/dbraw/zinc/34/37/52/134343752.db2.gz BZBKUXGHTDSPSR-QNWHQSFQSA-N 2 1 244.379 0.702 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394030 134365053 /nfs/dbraw/zinc/36/50/53/134365053.db2.gz XXJBMHGTUZTWIT-UWVGGRQHSA-N 2 1 245.392 0.277 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658165 383879751 /nfs/dbraw/zinc/87/97/51/383879751.db2.gz DTVKHXLHZDETBL-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000449322925 383853579 /nfs/dbraw/zinc/85/35/79/383853579.db2.gz ZWXKWCSHLIFUED-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000449326003 383861021 /nfs/dbraw/zinc/86/10/21/383861021.db2.gz RJMYASGTQBVNIK-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000235227086 383861347 /nfs/dbraw/zinc/86/13/47/383861347.db2.gz NRLUTOWTMYNUHX-NXEZZACHSA-N 2 1 245.392 0.135 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037826982 383865350 /nfs/dbraw/zinc/86/53/50/383865350.db2.gz MNUPSVYTNSKGSG-LLVKDONJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCOCC[NH3+])O1 ZINC000301051483 383881008 /nfs/dbraw/zinc/88/10/08/383881008.db2.gz UPCPDLTXURQSEE-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP OCCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227501604 134381977 /nfs/dbraw/zinc/38/19/77/134381977.db2.gz WYEFZKMYSGHMFL-QWHCGFSZSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCCO ZINC000227500889 134382066 /nfs/dbraw/zinc/38/20/66/134382066.db2.gz YFBTWINERVPSMY-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000309319042 383875796 /nfs/dbraw/zinc/87/57/96/383875796.db2.gz ZTTAOFLPMSWUTN-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP Cc1cncc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000301047305 383876531 /nfs/dbraw/zinc/87/65/31/383876531.db2.gz PJGXTAIUAOPPBZ-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP Cc1cccnc1C[N@@H+](C)CCOCC[NH3+] ZINC000301047237 383877165 /nfs/dbraw/zinc/87/71/65/383877165.db2.gz PIMZTRAPXVPEKH-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295672 383974185 /nfs/dbraw/zinc/97/41/85/383974185.db2.gz DXBRVEGUTKNDRU-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186830240 384027057 /nfs/dbraw/zinc/02/70/57/384027057.db2.gz RUCUIRFNAMFXMQ-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000648129662 384088699 /nfs/dbraw/zinc/08/86/99/384088699.db2.gz TYBXXUIDYFLPMZ-NXEZZACHSA-N 2 1 238.335 0.860 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000517373053 384064223 /nfs/dbraw/zinc/06/42/23/384064223.db2.gz AHWSRIMKWCYFQZ-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP COC(=O)C[N@H+](CCn1ccnc1)C(C)C ZINC000050063514 384105828 /nfs/dbraw/zinc/10/58/28/384105828.db2.gz MYJGAVZVYNGBSE-UHFFFAOYSA-N 2 1 225.292 0.767 20 0 BCADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000358737937 384116930 /nfs/dbraw/zinc/11/69/30/384116930.db2.gz ALJDNDNTZFBVOP-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000237378324 384159516 /nfs/dbraw/zinc/15/95/16/384159516.db2.gz QJGNEKICBIXYTA-NXEZZACHSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000235436181 384231619 /nfs/dbraw/zinc/23/16/19/384231619.db2.gz OEKKUUMFGWNBMJ-ZYHUDNBSSA-N 2 1 225.336 0.183 20 0 BCADMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000082432942 384227994 /nfs/dbraw/zinc/22/79/94/384227994.db2.gz JZVWCANOQKQXDX-NEPJUHHUSA-N 2 1 210.321 0.849 20 0 BCADMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000082432942 384228003 /nfs/dbraw/zinc/22/80/03/384228003.db2.gz JZVWCANOQKQXDX-NEPJUHHUSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000235483894 384250313 /nfs/dbraw/zinc/25/03/13/384250313.db2.gz NRLUTOWTMYNUHX-UWVGGRQHSA-N 2 1 245.392 0.135 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000228471740 384258309 /nfs/dbraw/zinc/25/83/09/384258309.db2.gz HPLZQRKEVJVMPY-JHJVBQTASA-N 2 1 234.347 0.942 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000173754813 384263386 /nfs/dbraw/zinc/26/33/86/384263386.db2.gz KJNBCQWTNRPJQK-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000173754813 384263392 /nfs/dbraw/zinc/26/33/92/384263392.db2.gz KJNBCQWTNRPJQK-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000083219225 384293986 /nfs/dbraw/zinc/29/39/86/384293986.db2.gz LLXZYRHARDUHEA-YEJSDXFRSA-N 2 1 212.337 0.830 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300399357 384369964 /nfs/dbraw/zinc/36/99/64/384369964.db2.gz TUHPYHRGOOUECY-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300399357 384369969 /nfs/dbraw/zinc/36/99/69/384369969.db2.gz TUHPYHRGOOUECY-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP COCCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385800 384392662 /nfs/dbraw/zinc/39/26/62/384392662.db2.gz PDBXNBSMVQGLPB-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)C1C[NH2+]C1 ZINC000235723965 384405322 /nfs/dbraw/zinc/40/53/22/384405322.db2.gz BYBNNXBHDUHYSS-UWVGGRQHSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)C1C[NH2+]C1 ZINC000235723965 384405327 /nfs/dbraw/zinc/40/53/27/384405327.db2.gz BYBNNXBHDUHYSS-UWVGGRQHSA-N 2 1 225.336 0.004 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)C[C@H]1C[NH3+] ZINC000405540236 384411222 /nfs/dbraw/zinc/41/12/22/384411222.db2.gz RISUBHXXPKXTLS-QNWHQSFQSA-N 2 1 242.363 0.850 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)C[C@H]1C[NH3+] ZINC000405540235 384411332 /nfs/dbraw/zinc/41/13/32/384411332.db2.gz RISUBHXXPKXTLS-FVCCEPFGSA-N 2 1 242.363 0.850 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000235739569 384414153 /nfs/dbraw/zinc/41/41/53/384414153.db2.gz XNZOOQMFNJFOLO-LBPRGKRZSA-N 2 1 225.336 0.183 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248851277 384381107 /nfs/dbraw/zinc/38/11/07/384381107.db2.gz JIINUHQGBYVVOU-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000228962248 384389969 /nfs/dbraw/zinc/38/99/69/384389969.db2.gz XYXOEGTZQLSLSI-QWRGUYRKSA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000228962248 384389972 /nfs/dbraw/zinc/38/99/72/384389972.db2.gz XYXOEGTZQLSLSI-QWRGUYRKSA-N 2 1 214.309 0.073 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)CC1 ZINC000361395399 384467300 /nfs/dbraw/zinc/46/73/00/384467300.db2.gz NVWJUFGCALOZQQ-GRYCIOLGSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2COC[C@H]2O)CC1 ZINC000361395399 384467306 /nfs/dbraw/zinc/46/73/06/384467306.db2.gz NVWJUFGCALOZQQ-GRYCIOLGSA-N 2 1 228.336 0.162 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000224623305 384480549 /nfs/dbraw/zinc/48/05/49/384480549.db2.gz XIKJDQCBXOSBGM-UWVGGRQHSA-N 2 1 216.350 0.399 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000224623305 384480554 /nfs/dbraw/zinc/48/05/54/384480554.db2.gz XIKJDQCBXOSBGM-UWVGGRQHSA-N 2 1 216.350 0.399 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000357410993 384498458 /nfs/dbraw/zinc/49/84/58/384498458.db2.gz JOVSNKZHUWBVRA-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000357410993 384498461 /nfs/dbraw/zinc/49/84/61/384498461.db2.gz JOVSNKZHUWBVRA-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000357410993 384498465 /nfs/dbraw/zinc/49/84/65/384498465.db2.gz JOVSNKZHUWBVRA-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(OCCCO)CC1 ZINC000647517539 384489501 /nfs/dbraw/zinc/48/95/01/384489501.db2.gz VLPGGMZXONWXEU-UHFFFAOYSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000357410977 384493842 /nfs/dbraw/zinc/49/38/42/384493842.db2.gz JOVSNKZHUWBVRA-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000357410977 384493845 /nfs/dbraw/zinc/49/38/45/384493845.db2.gz JOVSNKZHUWBVRA-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000357410977 384493849 /nfs/dbraw/zinc/49/38/49/384493849.db2.gz JOVSNKZHUWBVRA-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000648176999 384516400 /nfs/dbraw/zinc/51/64/00/384516400.db2.gz XBAVWHOPPHTHKO-YUSALJHKSA-N 2 1 239.363 0.522 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000249982928 384529576 /nfs/dbraw/zinc/52/95/76/384529576.db2.gz RUJGRKLRITXOFM-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000249982928 384529578 /nfs/dbraw/zinc/52/95/78/384529578.db2.gz RUJGRKLRITXOFM-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343498 384533346 /nfs/dbraw/zinc/53/33/46/384533346.db2.gz WVNGFJPWJUQAJQ-VWYCJHECSA-N 2 1 227.352 0.428 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343498 384533353 /nfs/dbraw/zinc/53/33/53/384533353.db2.gz WVNGFJPWJUQAJQ-VWYCJHECSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000647522915 384548419 /nfs/dbraw/zinc/54/84/19/384548419.db2.gz WLRKTRDABJKIEZ-NEPJUHHUSA-N 2 1 230.352 0.194 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000151187055 384550165 /nfs/dbraw/zinc/55/01/65/384550165.db2.gz DYGYLTKSLFFPJY-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151187055 384550172 /nfs/dbraw/zinc/55/01/72/384550172.db2.gz DYGYLTKSLFFPJY-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151187055 384550180 /nfs/dbraw/zinc/55/01/80/384550180.db2.gz DYGYLTKSLFFPJY-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCCO1 ZINC000300767588 384538741 /nfs/dbraw/zinc/53/87/41/384538741.db2.gz AAAOUFRSKBAMFJ-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000306067010 384569828 /nfs/dbraw/zinc/56/98/28/384569828.db2.gz YYWMKFXGOAGNRW-QWRGUYRKSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@@H]([NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000258577557 384615451 /nfs/dbraw/zinc/61/54/51/384615451.db2.gz DQQFULKSMGVIQQ-SSDOTTSWSA-N 2 1 207.281 0.810 20 0 BCADMP C[C@H]([NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000258577559 384615681 /nfs/dbraw/zinc/61/56/81/384615681.db2.gz DQQFULKSMGVIQQ-ZETCQYMHSA-N 2 1 207.281 0.810 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000258678270 384632207 /nfs/dbraw/zinc/63/22/07/384632207.db2.gz TUVDASMWGDUZAW-LLVKDONJSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCn1ccnc1 ZINC000162281080 384598847 /nfs/dbraw/zinc/59/88/47/384598847.db2.gz SPIDKFMSBCAZPH-MNOVXSKESA-N 2 1 209.293 0.992 20 0 BCADMP C[C@@H]1[C@H](C)OCCN1CCn1ccnc1 ZINC000162281080 384598855 /nfs/dbraw/zinc/59/88/55/384598855.db2.gz SPIDKFMSBCAZPH-MNOVXSKESA-N 2 1 209.293 0.992 20 0 BCADMP CC[C@H](C(N)=O)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638550 384667763 /nfs/dbraw/zinc/66/77/63/384667763.db2.gz FYNUNPNSUCVOBS-MRVPVSSYSA-N 2 1 201.314 0.167 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638550 384667769 /nfs/dbraw/zinc/66/77/69/384667769.db2.gz FYNUNPNSUCVOBS-MRVPVSSYSA-N 2 1 201.314 0.167 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638275 384671795 /nfs/dbraw/zinc/67/17/95/384671795.db2.gz OIZDZVUARZFCIQ-VIFPVBQESA-N 2 1 215.341 0.380 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638275 384671797 /nfs/dbraw/zinc/67/17/97/384671797.db2.gz OIZDZVUARZFCIQ-VIFPVBQESA-N 2 1 215.341 0.380 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538763 384656752 /nfs/dbraw/zinc/65/67/52/384656752.db2.gz UXEMOPCRHTUVJA-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CSC1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC1 ZINC000309836875 384659678 /nfs/dbraw/zinc/65/96/78/384659678.db2.gz BNCILCPETRMBHW-LLVKDONJSA-N 2 1 244.404 0.928 20 0 BCADMP CSC1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000309836875 384659686 /nfs/dbraw/zinc/65/96/86/384659686.db2.gz BNCILCPETRMBHW-LLVKDONJSA-N 2 1 244.404 0.928 20 0 BCADMP CSC1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC1 ZINC000309836879 384660742 /nfs/dbraw/zinc/66/07/42/384660742.db2.gz BNCILCPETRMBHW-NSHDSACASA-N 2 1 244.404 0.928 20 0 BCADMP CSC1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000309836879 384660747 /nfs/dbraw/zinc/66/07/47/384660747.db2.gz BNCILCPETRMBHW-NSHDSACASA-N 2 1 244.404 0.928 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000449606305 384696660 /nfs/dbraw/zinc/69/66/60/384696660.db2.gz YHTIIGJIMANKBC-RYUDHWBXSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000449606305 384696666 /nfs/dbraw/zinc/69/66/66/384696666.db2.gz YHTIIGJIMANKBC-RYUDHWBXSA-N 2 1 249.358 0.970 20 0 BCADMP CC1(C(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]C1 ZINC000335028412 384775663 /nfs/dbraw/zinc/77/56/63/384775663.db2.gz KHSRZEXIKBVECO-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000335028465 384776429 /nfs/dbraw/zinc/77/64/29/384776429.db2.gz LEYFCGXRRUNIMB-ONGXEEELSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000335028465 384776434 /nfs/dbraw/zinc/77/64/34/384776434.db2.gz LEYFCGXRRUNIMB-ONGXEEELSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000335028463 384777538 /nfs/dbraw/zinc/77/75/38/384777538.db2.gz LEYFCGXRRUNIMB-KOLCDFICSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000335028463 384777544 /nfs/dbraw/zinc/77/75/44/384777544.db2.gz LEYFCGXRRUNIMB-KOLCDFICSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546461 384729370 /nfs/dbraw/zinc/72/93/70/384729370.db2.gz LDZKPNUFNRZDGT-IJLUTSLNSA-N 3 1 211.353 0.716 20 0 BCADMP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546418 384730260 /nfs/dbraw/zinc/73/02/60/384730260.db2.gz JLEPFRWRSXTKPY-LPWJVIDDSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546463 384731593 /nfs/dbraw/zinc/73/15/93/384731593.db2.gz LDZKPNUFNRZDGT-WOPDTQHZSA-N 3 1 211.353 0.716 20 0 BCADMP CCN[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546796 384733229 /nfs/dbraw/zinc/73/32/29/384733229.db2.gz BTIAGDVDDZHGRM-FDYHWXHSSA-N 2 1 225.380 0.962 20 0 BCADMP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000647546847 384734027 /nfs/dbraw/zinc/73/40/27/384734027.db2.gz DHLZCDWZJQAELI-XQHKEYJVSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509226 384762214 /nfs/dbraw/zinc/76/22/14/384762214.db2.gz WVNVYWRJNIDZGF-CMPLNLGQSA-N 3 1 211.353 0.655 20 0 BCADMP CCSCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308588237 384824790 /nfs/dbraw/zinc/82/47/90/384824790.db2.gz JHBMNPOJRXZIJM-JTQLQIEISA-N 2 1 218.366 0.396 20 0 BCADMP CCSCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308588237 384824794 /nfs/dbraw/zinc/82/47/94/384824794.db2.gz JHBMNPOJRXZIJM-JTQLQIEISA-N 2 1 218.366 0.396 20 0 BCADMP CC1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[NH2+]C1 ZINC000335063288 384787973 /nfs/dbraw/zinc/78/79/73/384787973.db2.gz NMZAXKPGIGAQNA-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP CC1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[NH2+]C1 ZINC000335063288 384787977 /nfs/dbraw/zinc/78/79/77/384787977.db2.gz NMZAXKPGIGAQNA-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000042436977 384793803 /nfs/dbraw/zinc/79/38/03/384793803.db2.gz NZPNYWGBPGLIFD-LLVKDONJSA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000042436977 384793809 /nfs/dbraw/zinc/79/38/09/384793809.db2.gz NZPNYWGBPGLIFD-LLVKDONJSA-N 2 1 212.268 0.577 20 0 BCADMP COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397179 384806088 /nfs/dbraw/zinc/80/60/88/384806088.db2.gz KMRCRNQSCJDQPU-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361487039 384812192 /nfs/dbraw/zinc/81/21/92/384812192.db2.gz UANNNHDFMIUJHV-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]CCCN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314176223 384846210 /nfs/dbraw/zinc/84/62/10/384846210.db2.gz LWFRIQHNRZEFMA-BETUJISGSA-N 2 1 243.395 0.637 20 0 BCADMP COC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251001566 384912086 /nfs/dbraw/zinc/91/20/86/384912086.db2.gz PRMZYXSKTLODAM-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP COC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251001568 384912115 /nfs/dbraw/zinc/91/21/15/384912115.db2.gz PRMZYXSKTLODAM-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@H](O)C[NH3+] ZINC000566230081 384959646 /nfs/dbraw/zinc/95/96/46/384959646.db2.gz GAJRURCRXCEQCG-GFCCVEGCSA-N 2 1 235.331 0.406 20 0 BCADMP C[N@H+](Cc1cccc2c1NCC2)C[C@H](O)C[NH3+] ZINC000566230081 384959667 /nfs/dbraw/zinc/95/96/67/384959667.db2.gz GAJRURCRXCEQCG-GFCCVEGCSA-N 2 1 235.331 0.406 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)O ZINC000644525337 384935966 /nfs/dbraw/zinc/93/59/66/384935966.db2.gz QIOHWYNSXMKKAB-VHSXEESVSA-N 2 1 211.309 0.798 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194047 384971745 /nfs/dbraw/zinc/97/17/45/384971745.db2.gz QXWQPMHMAGQKTA-YIBTVLSRSA-N 2 1 212.337 0.924 20 0 BCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000644582083 384987466 /nfs/dbraw/zinc/98/74/66/384987466.db2.gz WFSCEOGGHBXFJE-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000310354567 385001617 /nfs/dbraw/zinc/00/16/17/385001617.db2.gz QIZHPEDQUPDZNR-FDYHWXHSSA-N 2 1 244.379 0.702 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000310354570 385002637 /nfs/dbraw/zinc/00/26/37/385002637.db2.gz QIZHPEDQUPDZNR-WUHRBBMRSA-N 2 1 244.379 0.702 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000518373275 385003814 /nfs/dbraw/zinc/00/38/14/385003814.db2.gz SWJNXMFBZDHGBY-LBPRGKRZSA-N 2 1 248.330 0.293 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226399613 385006369 /nfs/dbraw/zinc/00/63/69/385006369.db2.gz XOAAQPXVQOIIHW-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398338 385006711 /nfs/dbraw/zinc/00/67/11/385006711.db2.gz NXFLQGNHFNVOAH-ZYHUDNBSSA-N 2 1 239.363 0.727 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394902 385007269 /nfs/dbraw/zinc/00/72/69/385007269.db2.gz AUGYUSCLOPLOFF-PWSUYJOCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)C[NH2+]C)C1CC1 ZINC000226397957 385007352 /nfs/dbraw/zinc/00/73/52/385007352.db2.gz FDMANNNGJLBVLK-SNVBAGLBSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000226397328 385008056 /nfs/dbraw/zinc/00/80/56/385008056.db2.gz PPQRAZYIAGHRTB-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)C[NH2+]C)C1CC1 ZINC000226397947 385009056 /nfs/dbraw/zinc/00/90/56/385009056.db2.gz FDMANNNGJLBVLK-JTQLQIEISA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC[NH2+]C)C1CC1 ZINC000226397395 385009405 /nfs/dbraw/zinc/00/94/05/385009405.db2.gz XUORLBGELLCRGP-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000226403436 385012344 /nfs/dbraw/zinc/01/23/44/385012344.db2.gz XFKIVMXRIBYQGM-WZRBSPASSA-N 2 1 239.363 0.585 20 0 BCADMP CO[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373914 385013752 /nfs/dbraw/zinc/01/37/52/385013752.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1CCC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000310373914 385013757 /nfs/dbraw/zinc/01/37/57/385013757.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000310373914 385013761 /nfs/dbraw/zinc/01/37/61/385013761.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 1 242.363 0.552 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](CCO)C1CCC1)C1CC1 ZINC000310374932 385014047 /nfs/dbraw/zinc/01/40/47/385014047.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@@H](O)CN(CCO)C1CCC1)C1CC1 ZINC000310374932 385014054 /nfs/dbraw/zinc/01/40/54/385014054.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)CN(CCO)C1CCC1)C1CC1 ZINC000310374932 385014059 /nfs/dbraw/zinc/01/40/59/385014059.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+](CCO)C1CCC1)C1CC1 ZINC000310374932 385014062 /nfs/dbraw/zinc/01/40/62/385014062.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+](CCO)C1CCC1)C1CC1 ZINC000310374932 385014071 /nfs/dbraw/zinc/01/40/71/385014071.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](CCO)C1CCC1)C1CC1 ZINC000310374932 385014075 /nfs/dbraw/zinc/01/40/75/385014075.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](CCO)C1CCC1)C1CC1 ZINC000310374932 385014082 /nfs/dbraw/zinc/01/40/82/385014082.db2.gz YXHJYQFRMSAOSR-CYBMUJFWSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646931294 385074237 /nfs/dbraw/zinc/07/42/37/385074237.db2.gz ZXTORLXLPOOHKL-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646931294 385074243 /nfs/dbraw/zinc/07/42/43/385074243.db2.gz ZXTORLXLPOOHKL-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646931294 385074251 /nfs/dbraw/zinc/07/42/51/385074251.db2.gz ZXTORLXLPOOHKL-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000647460185 385043393 /nfs/dbraw/zinc/04/33/93/385043393.db2.gz NEGSZFZLDCYGRJ-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000647460185 385043398 /nfs/dbraw/zinc/04/33/98/385043398.db2.gz NEGSZFZLDCYGRJ-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000647460185 385043405 /nfs/dbraw/zinc/04/34/05/385043405.db2.gz NEGSZFZLDCYGRJ-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000647460185 385043408 /nfs/dbraw/zinc/04/34/08/385043408.db2.gz NEGSZFZLDCYGRJ-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000157233101 385110846 /nfs/dbraw/zinc/11/08/46/385110846.db2.gz FPSIHERDYDAHMA-NWDGAFQWSA-N 2 1 237.347 0.435 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000157233101 385110852 /nfs/dbraw/zinc/11/08/52/385110852.db2.gz FPSIHERDYDAHMA-NWDGAFQWSA-N 2 1 237.347 0.435 20 0 BCADMP O=C([C@@H]1CCCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000157253563 385117953 /nfs/dbraw/zinc/11/79/53/385117953.db2.gz RTISIMNQMCYPQL-RYUDHWBXSA-N 2 1 237.347 0.435 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO)C1 ZINC000177823889 385119105 /nfs/dbraw/zinc/11/91/05/385119105.db2.gz RHWIOPMGCVQSOV-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO)C1 ZINC000177823889 385119108 /nfs/dbraw/zinc/11/91/08/385119108.db2.gz RHWIOPMGCVQSOV-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO)C1 ZINC000177823889 385119112 /nfs/dbraw/zinc/11/91/12/385119112.db2.gz RHWIOPMGCVQSOV-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000177823889 385119116 /nfs/dbraw/zinc/11/91/16/385119116.db2.gz RHWIOPMGCVQSOV-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310589665 385125991 /nfs/dbraw/zinc/12/59/91/385125991.db2.gz YKXXWASOPJTDND-BETUJISGSA-N 2 1 234.347 0.815 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000345842227 385136105 /nfs/dbraw/zinc/13/61/05/385136105.db2.gz SXBSNNQHIGPPJB-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000345842227 385136110 /nfs/dbraw/zinc/13/61/10/385136110.db2.gz SXBSNNQHIGPPJB-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000345842227 385136113 /nfs/dbraw/zinc/13/61/13/385136113.db2.gz SXBSNNQHIGPPJB-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000345842227 385136119 /nfs/dbraw/zinc/13/61/19/385136119.db2.gz SXBSNNQHIGPPJB-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000404846624 385099317 /nfs/dbraw/zinc/09/93/17/385099317.db2.gz PAKCEKYQLILJPF-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC(C)(O)CC1)C1CC1 ZINC000310523500 385105054 /nfs/dbraw/zinc/10/50/54/385105054.db2.gz VLEDOYZOFDMUDT-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523500 385105060 /nfs/dbraw/zinc/10/50/60/385105060.db2.gz VLEDOYZOFDMUDT-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@H+]1C ZINC000559872478 385201731 /nfs/dbraw/zinc/20/17/31/385201731.db2.gz YWIUPJCGHNAPEE-XQHKEYJVSA-N 2 1 242.363 0.599 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000246545000 385190394 /nfs/dbraw/zinc/19/03/94/385190394.db2.gz SPQPQRHEZKMQRB-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873087 385202472 /nfs/dbraw/zinc/20/24/72/385202472.db2.gz ZIRJAKPKAYOLEH-FVCCEPFGSA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000647022098 385152721 /nfs/dbraw/zinc/15/27/21/385152721.db2.gz XJQMNUHRLBBYRC-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000647028333 385167248 /nfs/dbraw/zinc/16/72/48/385167248.db2.gz AUAKBOIFCLINBP-ZYHUDNBSSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000647034765 385171350 /nfs/dbraw/zinc/17/13/50/385171350.db2.gz XDYJGOLORQPJSJ-WCQYABFASA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+]C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000308833430 385201337 /nfs/dbraw/zinc/20/13/37/385201337.db2.gz KHYLQIITWHYSJJ-UHFFFAOYSA-N 2 1 208.309 0.636 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019485592 385209754 /nfs/dbraw/zinc/20/97/54/385209754.db2.gz IZHMSNQDJUJRCI-ZJUUUORDSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019485592 385209761 /nfs/dbraw/zinc/20/97/61/385209761.db2.gz IZHMSNQDJUJRCI-ZJUUUORDSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019485593 385209919 /nfs/dbraw/zinc/20/99/19/385209919.db2.gz IZHMSNQDJUJRCI-UWVGGRQHSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019485593 385209925 /nfs/dbraw/zinc/20/99/25/385209925.db2.gz IZHMSNQDJUJRCI-UWVGGRQHSA-N 2 1 243.376 0.249 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064795 385210633 /nfs/dbraw/zinc/21/06/33/385210633.db2.gz CACLNFDIRFMDOV-NSHDSACASA-N 2 1 231.315 0.274 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000259318537 385211590 /nfs/dbraw/zinc/21/15/90/385211590.db2.gz XEYWCNUWCVWWBF-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647071557 385219088 /nfs/dbraw/zinc/21/90/88/385219088.db2.gz ORAFUDZFDCVNKC-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647071557 385219102 /nfs/dbraw/zinc/21/91/02/385219102.db2.gz ORAFUDZFDCVNKC-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647994 385226123 /nfs/dbraw/zinc/22/61/23/385226123.db2.gz PAECRHUXAXVWOQ-RYUDHWBXSA-N 2 1 222.336 0.800 20 0 BCADMP C[C@H]1CN(C)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000108356899 385232633 /nfs/dbraw/zinc/23/26/33/385232633.db2.gz SRCRPHLQRLQJJG-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP COC(=O)[C@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000308897664 385251178 /nfs/dbraw/zinc/25/11/78/385251178.db2.gz AUPYDXNEDIHQSD-MRVPVSSYSA-N 2 1 202.298 0.465 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000308897664 385251184 /nfs/dbraw/zinc/25/11/84/385251184.db2.gz AUPYDXNEDIHQSD-MRVPVSSYSA-N 2 1 202.298 0.465 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000069238260 385322591 /nfs/dbraw/zinc/32/25/91/385322591.db2.gz OYYJBGAVZBYGLD-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCCO ZINC000178531795 385295852 /nfs/dbraw/zinc/29/58/52/385295852.db2.gz PFZURFLVXLJNSD-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCCO ZINC000178531795 385295855 /nfs/dbraw/zinc/29/58/55/385295855.db2.gz PFZURFLVXLJNSD-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000164990139 385333157 /nfs/dbraw/zinc/33/31/57/385333157.db2.gz WAYIDDJVMCZYIP-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000165055053 385338910 /nfs/dbraw/zinc/33/89/10/385338910.db2.gz DWKBEMISORJQTD-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165018865 385340478 /nfs/dbraw/zinc/34/04/78/385340478.db2.gz GMCPABWEOTXCMX-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC12CCC2 ZINC000309045207 385389061 /nfs/dbraw/zinc/38/90/61/385389061.db2.gz OBPOTXRNBKJUBJ-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000309011690 385358566 /nfs/dbraw/zinc/35/85/66/385358566.db2.gz SAEWCUNGVXUYQG-RYUDHWBXSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000309011690 385358571 /nfs/dbraw/zinc/35/85/71/385358571.db2.gz SAEWCUNGVXUYQG-RYUDHWBXSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309011690 385358574 /nfs/dbraw/zinc/35/85/74/385358574.db2.gz SAEWCUNGVXUYQG-RYUDHWBXSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000309048931 385382045 /nfs/dbraw/zinc/38/20/45/385382045.db2.gz PTJMEOKJEVVHGU-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309048931 385382049 /nfs/dbraw/zinc/38/20/49/385382049.db2.gz PTJMEOKJEVVHGU-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309048931 385382053 /nfs/dbraw/zinc/38/20/53/385382053.db2.gz PTJMEOKJEVVHGU-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000259065359 385439749 /nfs/dbraw/zinc/43/97/49/385439749.db2.gz HSIFPENKFASMMJ-NSHDSACASA-N 2 1 241.379 0.772 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@H+]1C ZINC000156296452 385445130 /nfs/dbraw/zinc/44/51/30/385445130.db2.gz JVTARRACACTBAJ-VHSXEESVSA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309204495 385479479 /nfs/dbraw/zinc/47/94/79/385479479.db2.gz AWMXYPZIGFNNQN-RYUDHWBXSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309204495 385479482 /nfs/dbraw/zinc/47/94/82/385479482.db2.gz AWMXYPZIGFNNQN-RYUDHWBXSA-N 2 1 230.352 0.048 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000257675141 385484511 /nfs/dbraw/zinc/48/45/11/385484511.db2.gz HKVQMEPZRSGTNU-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000257669585 385484573 /nfs/dbraw/zinc/48/45/73/385484573.db2.gz GCQDWFSUESXWOW-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000257753625 385496109 /nfs/dbraw/zinc/49/61/09/385496109.db2.gz ZJJNCMUDZBDKDS-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405345271 385508515 /nfs/dbraw/zinc/50/85/15/385508515.db2.gz GCIGPYCNESWPSX-VHSXEESVSA-N 2 1 208.309 0.636 20 0 BCADMP COC1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000318931464 385522026 /nfs/dbraw/zinc/52/20/26/385522026.db2.gz AKRFKFOTJNHIBI-LBPRGKRZSA-N 2 1 242.363 0.995 20 0 BCADMP COC1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000318931463 385522848 /nfs/dbraw/zinc/52/28/48/385522848.db2.gz AKRFKFOTJNHIBI-GFCCVEGCSA-N 2 1 242.363 0.995 20 0 BCADMP CN(C)c1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643031211 385526950 /nfs/dbraw/zinc/52/69/50/385526950.db2.gz JZPNSXCCAPMIIL-WDEREUQCSA-N 2 1 247.346 0.731 20 0 BCADMP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309386263 385559965 /nfs/dbraw/zinc/55/99/65/385559965.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@]1(C)CCCO1 ZINC000309453459 385585656 /nfs/dbraw/zinc/58/56/56/385585656.db2.gz NBOAOGYLFCKRFA-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000309456224 385587933 /nfs/dbraw/zinc/58/79/33/385587933.db2.gz MMWMNXXMGHGQNQ-VXGBXAGGSA-N 2 1 228.336 0.068 20 0 BCADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000309456224 385587937 /nfs/dbraw/zinc/58/79/37/385587937.db2.gz MMWMNXXMGHGQNQ-VXGBXAGGSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000309455998 385587946 /nfs/dbraw/zinc/58/79/46/385587946.db2.gz NPXLWGQOYRKUJH-GHMZBOCLSA-N 2 1 223.320 0.977 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495162 385616158 /nfs/dbraw/zinc/61/61/58/385616158.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495162 385616162 /nfs/dbraw/zinc/61/61/62/385616162.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495162 385616166 /nfs/dbraw/zinc/61/61/66/385616166.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000082645585 385627089 /nfs/dbraw/zinc/62/70/89/385627089.db2.gz LUKYMOKOWANSEV-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000082645585 385627094 /nfs/dbraw/zinc/62/70/94/385627094.db2.gz LUKYMOKOWANSEV-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000082645582 385627243 /nfs/dbraw/zinc/62/72/43/385627243.db2.gz LUKYMOKOWANSEV-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000082645582 385627252 /nfs/dbraw/zinc/62/72/52/385627252.db2.gz LUKYMOKOWANSEV-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCO)CC1 ZINC000337342108 385609332 /nfs/dbraw/zinc/60/93/32/385609332.db2.gz VVICYJHWXBVWQV-UHFFFAOYSA-N 2 1 243.395 0.327 20 0 BCADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000394087013 385656743 /nfs/dbraw/zinc/65/67/43/385656743.db2.gz VRMGZFLUZMBYOG-VXGBXAGGSA-N 2 1 213.369 0.914 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337433579 385657264 /nfs/dbraw/zinc/65/72/64/385657264.db2.gz BMXSCUASBPLHGH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000337479823 385679215 /nfs/dbraw/zinc/67/92/15/385679215.db2.gz VXWVQNCOIKJWIP-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP C[N@H+](C/C=C\c1ccccc1)C[C@H](O)C[NH3+] ZINC000309594077 385717941 /nfs/dbraw/zinc/71/79/41/385717941.db2.gz VSLRXJNUXABNQW-DMTLFAOVSA-N 2 1 220.316 0.951 20 0 BCADMP C[N@@H+](C/C=C\c1ccccc1)C[C@H](O)C[NH3+] ZINC000309594077 385717943 /nfs/dbraw/zinc/71/79/43/385717943.db2.gz VSLRXJNUXABNQW-DMTLFAOVSA-N 2 1 220.316 0.951 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000335478297 385713463 /nfs/dbraw/zinc/71/34/63/385713463.db2.gz SGUXHJQZDZYXHJ-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000335478297 385713469 /nfs/dbraw/zinc/71/34/69/385713469.db2.gz SGUXHJQZDZYXHJ-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414851781 385667532 /nfs/dbraw/zinc/66/75/32/385667532.db2.gz PQVPHMXUQRAQMT-SRVKXCTJSA-N 3 1 213.369 0.962 20 0 BCADMP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000186494479 385765679 /nfs/dbraw/zinc/76/56/79/385765679.db2.gz ZPUVQDFRMDNZRS-PCAWENJQSA-N 2 1 212.337 0.997 20 0 BCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336690947 385723653 /nfs/dbraw/zinc/72/36/53/385723653.db2.gz WOUZJSSESMXAKJ-AXFHLTTASA-N 2 1 246.376 0.090 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336690947 385723655 /nfs/dbraw/zinc/72/36/55/385723655.db2.gz WOUZJSSESMXAKJ-AXFHLTTASA-N 2 1 246.376 0.090 20 0 BCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336690959 385725368 /nfs/dbraw/zinc/72/53/68/385725368.db2.gz WOUZJSSESMXAKJ-GARJFASQSA-N 2 1 246.376 0.090 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336690959 385725372 /nfs/dbraw/zinc/72/53/72/385725372.db2.gz WOUZJSSESMXAKJ-GARJFASQSA-N 2 1 246.376 0.090 20 0 BCADMP C1C[C@H]([NH2+][C@@H]2CCOC2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000647793557 385727263 /nfs/dbraw/zinc/72/72/63/385727263.db2.gz AGGMACDNZYFCAN-MROQNXINSA-N 2 1 240.347 0.522 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414947734 385806615 /nfs/dbraw/zinc/80/66/15/385806615.db2.gz VWUWTUUPNIXTJG-VXGBXAGGSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647801402 385811511 /nfs/dbraw/zinc/81/15/11/385811511.db2.gz UQIIORGLMHURHN-MNOVXSKESA-N 2 1 237.351 0.335 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000095020889 385831525 /nfs/dbraw/zinc/83/15/25/385831525.db2.gz GTGOOAZHSWVVDO-SNVBAGLBSA-N 2 1 223.276 0.378 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647844383 385895689 /nfs/dbraw/zinc/89/56/89/385895689.db2.gz RNPDGQFOAFKAJN-CMPLNLGQSA-N 2 1 235.331 0.554 20 0 BCADMP Cc1noc(CCC[N@@H+](C)CCC[NH3+])n1 ZINC000647847527 385898326 /nfs/dbraw/zinc/89/83/26/385898326.db2.gz QUWTZUIQXZCPLM-UHFFFAOYSA-N 2 1 212.297 0.591 20 0 BCADMP CCOCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000647849456 385900579 /nfs/dbraw/zinc/90/05/79/385900579.db2.gz UMNQXJKWDBBYPF-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CCOCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000647849456 385900584 /nfs/dbraw/zinc/90/05/84/385900584.db2.gz UMNQXJKWDBBYPF-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CCC[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414965148 385912295 /nfs/dbraw/zinc/91/22/95/385912295.db2.gz NDMJNXWKJYOHKX-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@](C)(CC)C(N)=O ZINC000336767638 385923405 /nfs/dbraw/zinc/92/34/05/385923405.db2.gz PXWIZLDAPCBYPL-LBPRGKRZSA-N 2 1 229.368 0.962 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647811039 385862370 /nfs/dbraw/zinc/86/23/70/385862370.db2.gz MFMDQXOBOMKTFZ-OPRDCNLKSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCC[C@H]([NH3+])C2)CCO1 ZINC000647814593 385868065 /nfs/dbraw/zinc/86/80/65/385868065.db2.gz UYSNMNJYOILBID-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCC[C@H]([NH3+])C2)CCO1 ZINC000647814593 385868067 /nfs/dbraw/zinc/86/80/67/385868067.db2.gz UYSNMNJYOILBID-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCC[C@H]([NH3+])C2)CCO1 ZINC000647814592 385869705 /nfs/dbraw/zinc/86/97/05/385869705.db2.gz UYSNMNJYOILBID-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCC[C@H]([NH3+])C2)CCO1 ZINC000647814592 385869708 /nfs/dbraw/zinc/86/97/08/385869708.db2.gz UYSNMNJYOILBID-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820438 385873212 /nfs/dbraw/zinc/87/32/12/385873212.db2.gz BUCSCEMCEOFQOY-BDAKNGLRSA-N 2 1 222.279 0.673 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000647827162 385875220 /nfs/dbraw/zinc/87/52/20/385875220.db2.gz NAAKKIVAWXAJTH-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1=O ZINC000647829407 385877776 /nfs/dbraw/zinc/87/77/76/385877776.db2.gz AIPVMEAXFNJOOY-LLVKDONJSA-N 2 1 221.304 0.166 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647829609 385878401 /nfs/dbraw/zinc/87/84/01/385878401.db2.gz DFMHRMAFZKGDDZ-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829671 385878955 /nfs/dbraw/zinc/87/89/55/385878955.db2.gz KNGQIDRSXUURNM-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000638136485 385879983 /nfs/dbraw/zinc/87/99/83/385879983.db2.gz ZAAMHXHESUZDNB-ADEWGFFLSA-N 2 1 249.358 0.775 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417450343 385975693 /nfs/dbraw/zinc/97/56/93/385975693.db2.gz ZYNWIVABNMZGEH-QWRGUYRKSA-N 2 1 244.383 0.611 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144928 385992061 /nfs/dbraw/zinc/99/20/61/385992061.db2.gz UGEQQOJIGQJWSP-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144928 385992067 /nfs/dbraw/zinc/99/20/67/385992067.db2.gz UGEQQOJIGQJWSP-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417445384 385938321 /nfs/dbraw/zinc/93/83/21/385938321.db2.gz GQTBSFYOTDQONA-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417446598 385953889 /nfs/dbraw/zinc/95/38/89/385953889.db2.gz MHTMSKLPQUUGNA-JTQLQIEISA-N 2 1 244.383 0.753 20 0 BCADMP C1CCC([N@H+]2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)C1 ZINC000335058160 385958167 /nfs/dbraw/zinc/95/81/67/385958167.db2.gz YPNSKDRDEDDUDI-NWDGAFQWSA-N 2 1 223.364 0.955 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417447848 385961120 /nfs/dbraw/zinc/96/11/20/385961120.db2.gz RWEQPWJYLHYOSA-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750387 386003610 /nfs/dbraw/zinc/00/36/10/386003610.db2.gz UUJLVSOLAXPFKC-ONGXEEELSA-N 2 1 241.360 0.860 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417460325 386012219 /nfs/dbraw/zinc/01/22/19/386012219.db2.gz KBDBLKVKFIWXGT-JTQLQIEISA-N 2 1 230.356 0.363 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000129027728 386043898 /nfs/dbraw/zinc/04/38/98/386043898.db2.gz VZDTXFMGPQDRBH-LBPRGKRZSA-N 2 1 227.352 0.587 20 0 BCADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000414986154 386101219 /nfs/dbraw/zinc/10/12/19/386101219.db2.gz XKIFUOHTARGOKV-LBPRGKRZSA-N 2 1 235.331 0.873 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH+](C)C)C(C)C ZINC000340249093 386104018 /nfs/dbraw/zinc/10/40/18/386104018.db2.gz YBNUXXUBVAWLEK-UHFFFAOYSA-N 2 1 215.341 0.395 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000054133166 386109938 /nfs/dbraw/zinc/10/99/38/386109938.db2.gz WWQCQURDLILMQI-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133385 386110124 /nfs/dbraw/zinc/11/01/24/386110124.db2.gz PFLRTCYYAPXDBB-JTQLQIEISA-N 2 1 247.408 0.523 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000054133514 386111210 /nfs/dbraw/zinc/11/12/10/386111210.db2.gz ZZFSYTRGEFLMMO-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133552 386111416 /nfs/dbraw/zinc/11/14/16/386111416.db2.gz UONFLPAJNFMHRA-GHMZBOCLSA-N 2 1 229.368 0.816 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000054133394 386111439 /nfs/dbraw/zinc/11/14/39/386111439.db2.gz FZTOVARPIITJTE-SNVBAGLBSA-N 2 1 229.368 0.816 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000525804010 386114681 /nfs/dbraw/zinc/11/46/81/386114681.db2.gz FJZVFBNTKQUUOJ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414667439 386114884 /nfs/dbraw/zinc/11/48/84/386114884.db2.gz HJNXDOKASDHYMI-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414667439 386114893 /nfs/dbraw/zinc/11/48/93/386114893.db2.gz HJNXDOKASDHYMI-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000054341252 386120425 /nfs/dbraw/zinc/12/04/25/386120425.db2.gz XDFLYTPRJATLSD-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCO)COC)[C@H](C)C1 ZINC000345238535 386076260 /nfs/dbraw/zinc/07/62/60/386076260.db2.gz IMPGKHGOHPWNSX-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404399 386077907 /nfs/dbraw/zinc/07/79/07/386077907.db2.gz PQETYIFGGAUISK-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404405 386077988 /nfs/dbraw/zinc/07/79/88/386077988.db2.gz PQETYIFGGAUISK-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CN)CC[NH2+]1 ZINC000414655866 386082024 /nfs/dbraw/zinc/08/20/24/386082024.db2.gz HUABUNAIJXZJKE-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662522 386100348 /nfs/dbraw/zinc/10/03/48/386100348.db2.gz AGBICAHENZGLII-QJPTWQEYSA-N 3 1 223.364 0.785 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000414673131 386145224 /nfs/dbraw/zinc/14/52/24/386145224.db2.gz QHLRRBONSZGRNA-VHSXEESVSA-N 2 1 213.325 0.167 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000414673131 386145227 /nfs/dbraw/zinc/14/52/27/386145227.db2.gz QHLRRBONSZGRNA-VHSXEESVSA-N 2 1 213.325 0.167 20 0 BCADMP COC(=O)c1coc(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000414892914 386153350 /nfs/dbraw/zinc/15/33/50/386153350.db2.gz JSQXRAAVMOYIDO-MRVPVSSYSA-N 2 1 226.276 0.893 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677518 386158287 /nfs/dbraw/zinc/15/82/87/386158287.db2.gz JEUKSLBCPIYKCF-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000647878406 386159298 /nfs/dbraw/zinc/15/92/98/386159298.db2.gz DAAPVVUCQNUOFF-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP CCOC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414678700 386160172 /nfs/dbraw/zinc/16/01/72/386160172.db2.gz QVJZXZZVIPSHRN-MNOVXSKESA-N 2 1 228.336 0.869 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346181841 386161630 /nfs/dbraw/zinc/16/16/30/386161630.db2.gz BVNMDPATBBTYAA-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000310257613 386166883 /nfs/dbraw/zinc/16/68/83/386166883.db2.gz YOBDNTJMYWPKAW-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000338896870 386169957 /nfs/dbraw/zinc/16/99/57/386169957.db2.gz PNYNSVFHVUFFGN-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[N@@H+](CCCn2ccnc2)CC[C@@H]1O ZINC000164615802 386171338 /nfs/dbraw/zinc/17/13/38/386171338.db2.gz TUSJHCOMCVGYIA-NEPJUHHUSA-N 2 1 223.320 0.976 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000310333531 386174996 /nfs/dbraw/zinc/17/49/96/386174996.db2.gz MERHNJSEQVZSKD-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414693523 386191205 /nfs/dbraw/zinc/19/12/05/386191205.db2.gz BZGCOAYYAFIDHY-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000414672875 386144099 /nfs/dbraw/zinc/14/40/99/386144099.db2.gz IDLPFAURVKLUIZ-UHFFFAOYSA-N 2 1 241.379 0.379 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000647880910 386202368 /nfs/dbraw/zinc/20/23/68/386202368.db2.gz BAEXCIHEGHKDFK-LLVKDONJSA-N 2 1 238.335 0.564 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414702219 386207102 /nfs/dbraw/zinc/20/71/02/386207102.db2.gz UVUORUODCMBLLM-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414702219 386207106 /nfs/dbraw/zinc/20/71/06/386207106.db2.gz UVUORUODCMBLLM-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000132000147 386217540 /nfs/dbraw/zinc/21/75/40/386217540.db2.gz GCQDSFFLOSRQSU-NXEZZACHSA-N 2 1 245.392 0.481 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC1CCCC1 ZINC000131793633 386222618 /nfs/dbraw/zinc/22/26/18/386222618.db2.gz NGXYDVJEWIKJFO-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC1CCCC1 ZINC000131793633 386222625 /nfs/dbraw/zinc/22/26/25/386222625.db2.gz NGXYDVJEWIKJFO-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP NC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882719 386236992 /nfs/dbraw/zinc/23/69/92/386236992.db2.gz VNBPFCWZYDOAEH-NEPJUHHUSA-N 2 1 239.363 0.573 20 0 BCADMP C[NH2+]CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000417512927 386239005 /nfs/dbraw/zinc/23/90/05/386239005.db2.gz ZMNHCDNORNMDLB-UHFFFAOYSA-N 2 1 242.367 0.379 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347088492 386245622 /nfs/dbraw/zinc/24/56/22/386245622.db2.gz FEMWVEZUZHLUJS-SNVBAGLBSA-N 2 1 231.303 0.510 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347088492 386245626 /nfs/dbraw/zinc/24/56/26/386245626.db2.gz FEMWVEZUZHLUJS-SNVBAGLBSA-N 2 1 231.303 0.510 20 0 BCADMP C[C@H](NC(=O)C[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000275956675 386254232 /nfs/dbraw/zinc/25/42/32/386254232.db2.gz HQBGZVYEXYARSY-JTQLQIEISA-N 2 1 225.336 0.315 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000132878359 386259097 /nfs/dbraw/zinc/25/90/97/386259097.db2.gz RRQCDQALKSINSZ-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414732113 386289840 /nfs/dbraw/zinc/28/98/40/386289840.db2.gz FWGVDFJMGSWUFY-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H](CN2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414732113 386289846 /nfs/dbraw/zinc/28/98/46/386289846.db2.gz FWGVDFJMGSWUFY-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+](CCOCCO)CC[C@H]1CCC[NH+]1C ZINC000336666967 386292087 /nfs/dbraw/zinc/29/20/87/386292087.db2.gz OCKUFULRWSUYKH-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP C[N@@H+](CCOCCO)CC[C@H]1CCC[NH+]1C ZINC000336666967 386292092 /nfs/dbraw/zinc/29/20/92/386292092.db2.gz OCKUFULRWSUYKH-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](CCOCCO)CC[C@H]1CCC[N@@H+]1C ZINC000336666967 386292096 /nfs/dbraw/zinc/29/20/96/386292096.db2.gz OCKUFULRWSUYKH-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](CCOCCO)CC[C@H]1CCC[N@H+]1C ZINC000336666967 386292100 /nfs/dbraw/zinc/29/21/00/386292100.db2.gz OCKUFULRWSUYKH-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP Cc1[nH+]ccn1CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347302973 386305102 /nfs/dbraw/zinc/30/51/02/386305102.db2.gz FRSBZSUZBAMYHC-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430629543 386313346 /nfs/dbraw/zinc/31/33/46/386313346.db2.gz QKSYYCJKABTMET-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430629543 386313352 /nfs/dbraw/zinc/31/33/52/386313352.db2.gz QKSYYCJKABTMET-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336649926 386263834 /nfs/dbraw/zinc/26/38/34/386263834.db2.gz RXGGHPSCJXAOCW-NSHDSACASA-N 2 1 212.337 0.906 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000416302036 386267102 /nfs/dbraw/zinc/26/71/02/386267102.db2.gz MVKKMCYQEKMCHB-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746206 386344792 /nfs/dbraw/zinc/34/47/92/386344792.db2.gz RUTQQCRPDHRZJG-WOPDTQHZSA-N 2 1 224.348 0.831 20 0 BCADMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000414746576 386346132 /nfs/dbraw/zinc/34/61/32/386346132.db2.gz SIGUKYHYMITPEO-XQQFMLRXSA-N 2 1 225.380 0.853 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335279046 386349332 /nfs/dbraw/zinc/34/93/32/386349332.db2.gz OSOIDVQKMKJLOR-RKDXNWHRSA-N 2 1 219.279 0.183 20 0 BCADMP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414904093 386352000 /nfs/dbraw/zinc/35/20/00/386352000.db2.gz LCGCEBOTRLIBFE-NWDGAFQWSA-N 3 1 211.353 0.718 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000265606322 386353310 /nfs/dbraw/zinc/35/33/10/386353310.db2.gz BFBHAHUJERGRDS-ZRQQLDRUSA-N 2 1 225.336 0.315 20 0 BCADMP C[C@H](CNC(=O)N(C)CC[NH3+])[N@@H+](C)C1CC1 ZINC000417548513 386353716 /nfs/dbraw/zinc/35/37/16/386353716.db2.gz IHPJOOYCKMTNHS-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H](CNC(=O)NCCCC[NH3+])[N@@H+](C)C1CC1 ZINC000417552076 386355170 /nfs/dbraw/zinc/35/51/70/386355170.db2.gz PWQMOENIFUQVKW-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(=O)NC ZINC000331965465 386356432 /nfs/dbraw/zinc/35/64/32/386356432.db2.gz KUBIMOZKFONUBS-OUAUKWLOSA-N 2 1 227.352 0.761 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000336732010 386357994 /nfs/dbraw/zinc/35/79/94/386357994.db2.gz ZBPFADARIPVKAF-VIFPVBQESA-N 2 1 249.305 0.569 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989569 386358932 /nfs/dbraw/zinc/35/89/32/386358932.db2.gz GFKUMUWPUBJHRK-MNOVXSKESA-N 2 1 221.308 0.134 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417552507 386359131 /nfs/dbraw/zinc/35/91/31/386359131.db2.gz RLORQQOLYMAAOS-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890060 386360392 /nfs/dbraw/zinc/36/03/92/386360392.db2.gz KOPCVVXEGZJTMV-OLZOCXBDSA-N 2 1 242.363 0.581 20 0 BCADMP C[N@H+](C[C@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000647989705 386361484 /nfs/dbraw/zinc/36/14/84/386361484.db2.gz ZIHFAFZCSRWTDT-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000647989705 386361487 /nfs/dbraw/zinc/36/14/87/386361487.db2.gz ZIHFAFZCSRWTDT-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414748848 386362826 /nfs/dbraw/zinc/36/28/26/386362826.db2.gz XIWKLLIMKZNRCC-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCC[NH3+] ZINC000414753122 386386959 /nfs/dbraw/zinc/38/69/59/386386959.db2.gz DBBBLSDAXVYNRH-WDEREUQCSA-N 2 1 244.335 0.378 20 0 BCADMP CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637808587 386371754 /nfs/dbraw/zinc/37/17/54/386371754.db2.gz BZTNHHTYCNKVSW-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC000637808357 386372497 /nfs/dbraw/zinc/37/24/97/386372497.db2.gz CJTJWVLMZDOIPE-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414742099 386327515 /nfs/dbraw/zinc/32/75/15/386327515.db2.gz NDDPGACTUJRPSF-TUAOUCFPSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC000230045531 386336074 /nfs/dbraw/zinc/33/60/74/386336074.db2.gz HPLZQRKEVJVMPY-FRRDWIJNSA-N 2 1 234.347 0.942 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000637855148 386446394 /nfs/dbraw/zinc/44/63/94/386446394.db2.gz QYMHJSYSVRFHQH-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCCC[NH+](C)C ZINC000166087857 386390371 /nfs/dbraw/zinc/39/03/71/386390371.db2.gz MUAZWAJHSFOMFR-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP CC[N@@H+](CCn1ccnc1)[C@@H]1CCOC1 ZINC000336704877 386395172 /nfs/dbraw/zinc/39/51/72/386395172.db2.gz QUSCVGBRRBPUGO-LLVKDONJSA-N 2 1 209.293 0.994 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417584127 386409212 /nfs/dbraw/zinc/40/92/12/386409212.db2.gz MEQFSUNSEQHHDW-NSHDSACASA-N 2 1 242.367 0.509 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579839 386409689 /nfs/dbraw/zinc/40/96/89/386409689.db2.gz BTQAFHVGHDEBRG-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000347455627 386413183 /nfs/dbraw/zinc/41/31/83/386413183.db2.gz NPHGDUACBWIHQW-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442664130 386413395 /nfs/dbraw/zinc/41/33/95/386413395.db2.gz VQIKVSLFPZADAZ-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442664130 386413402 /nfs/dbraw/zinc/41/34/02/386413402.db2.gz VQIKVSLFPZADAZ-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414758720 386414457 /nfs/dbraw/zinc/41/44/57/386414457.db2.gz VNMAUARUKOCPPY-AAEUAGOBSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000442665599 386417317 /nfs/dbraw/zinc/41/73/17/386417317.db2.gz NEPYRVYGHWWYAT-NEPJUHHUSA-N 2 1 241.379 0.519 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761588 386420738 /nfs/dbraw/zinc/42/07/38/386420738.db2.gz JNRLDTYUOGSXOG-UTUOFQBUSA-N 2 1 230.327 0.781 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647991328 386422446 /nfs/dbraw/zinc/42/24/46/386422446.db2.gz ZYSATYWDHIWQRO-LLVKDONJSA-N 2 1 227.352 0.300 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647991328 386422454 /nfs/dbraw/zinc/42/24/54/386422454.db2.gz ZYSATYWDHIWQRO-LLVKDONJSA-N 2 1 227.352 0.300 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761586 386422636 /nfs/dbraw/zinc/42/26/36/386422636.db2.gz JNRLDTYUOGSXOG-IJLUTSLNSA-N 2 1 230.327 0.781 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH3+])[C@H]1C ZINC000414761986 386422938 /nfs/dbraw/zinc/42/29/38/386422938.db2.gz VEHRTEGNMJMTSK-IUCAKERBSA-N 2 1 200.282 0.219 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000519402958 386430193 /nfs/dbraw/zinc/43/01/93/386430193.db2.gz MGPLAEDULRTXIL-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044305 386528467 /nfs/dbraw/zinc/52/84/67/386528467.db2.gz BQDDCNFQNPWJDF-ZYHUDNBSSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417621315 386468714 /nfs/dbraw/zinc/46/87/14/386468714.db2.gz FHFOJWYMIQXCJM-NSHDSACASA-N 2 1 242.367 0.363 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417276947 386470210 /nfs/dbraw/zinc/47/02/10/386470210.db2.gz FOCFDDOHPOSSAH-GUBZILKMSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011137 386485176 /nfs/dbraw/zinc/48/51/76/386485176.db2.gz QEQDSHJWQZOZIE-RKDXNWHRSA-N 2 1 233.319 0.794 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000062010209 386491058 /nfs/dbraw/zinc/49/10/58/386491058.db2.gz BRRCHAHFFOUQPM-LBPRGKRZSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044300 386529425 /nfs/dbraw/zinc/52/94/25/386529425.db2.gz BQDDCNFQNPWJDF-CMPLNLGQSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780515 386497342 /nfs/dbraw/zinc/49/73/42/386497342.db2.gz BMFWWIWAWCXROC-LPWJVIDDSA-N 3 1 223.364 0.668 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780515 386497345 /nfs/dbraw/zinc/49/73/45/386497345.db2.gz BMFWWIWAWCXROC-LPWJVIDDSA-N 3 1 223.364 0.668 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647936301 386513485 /nfs/dbraw/zinc/51/34/85/386513485.db2.gz BCWOXDKUPOMBPE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](CN[C@H]2CC[NH2+]C2)CC1 ZINC000415025471 386514273 /nfs/dbraw/zinc/51/42/73/386514273.db2.gz QCKYTCHBAWKRBT-SRVKXCTJSA-N 2 1 211.353 0.703 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335447311 386514793 /nfs/dbraw/zinc/51/47/93/386514793.db2.gz DPQAQYJYHPDZBY-GHMZBOCLSA-N 2 1 220.320 0.759 20 0 BCADMP Cn1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1=O ZINC000647973120 386523536 /nfs/dbraw/zinc/52/35/36/386523536.db2.gz PQNVUHPZMQAWLY-GFCCVEGCSA-N 2 1 235.331 0.554 20 0 BCADMP Cn1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1=O ZINC000647973120 386523540 /nfs/dbraw/zinc/52/35/40/386523540.db2.gz PQNVUHPZMQAWLY-GFCCVEGCSA-N 2 1 235.331 0.554 20 0 BCADMP Cn1cnc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC000415037212 386523647 /nfs/dbraw/zinc/52/36/47/386523647.db2.gz MNTJHIXXKLWVSC-YABSGUDNSA-N 2 1 242.326 0.881 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216034 386458035 /nfs/dbraw/zinc/45/80/35/386458035.db2.gz HRXVYEMUBSZCHD-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccn1 ZINC000094916669 386463592 /nfs/dbraw/zinc/46/35/92/386463592.db2.gz MGRTZQXREOCLCO-UHFFFAOYSA-N 2 1 248.374 0.809 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000059931430 386463964 /nfs/dbraw/zinc/46/39/64/386463964.db2.gz MIUKFHPBXZJCQM-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP NCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978096 386576420 /nfs/dbraw/zinc/57/64/20/386576420.db2.gz MODMTCSGYOPKJT-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978096 386576421 /nfs/dbraw/zinc/57/64/21/386576421.db2.gz MODMTCSGYOPKJT-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978096 386576424 /nfs/dbraw/zinc/57/64/24/386576424.db2.gz MODMTCSGYOPKJT-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978096 386576426 /nfs/dbraw/zinc/57/64/26/386576426.db2.gz MODMTCSGYOPKJT-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978095 386576636 /nfs/dbraw/zinc/57/66/36/386576636.db2.gz MODMTCSGYOPKJT-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978095 386576643 /nfs/dbraw/zinc/57/66/43/386576643.db2.gz MODMTCSGYOPKJT-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978095 386576648 /nfs/dbraw/zinc/57/66/48/386576648.db2.gz MODMTCSGYOPKJT-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978095 386576654 /nfs/dbraw/zinc/57/66/54/386576654.db2.gz MODMTCSGYOPKJT-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418735 386586477 /nfs/dbraw/zinc/58/64/77/386586477.db2.gz SXFJPEHXIUBHDT-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@@H](N)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414801452 386588408 /nfs/dbraw/zinc/58/84/08/386588408.db2.gz UDIWYMBQIPHROX-UTUOFQBUSA-N 2 1 213.369 0.947 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000415081782 386598934 /nfs/dbraw/zinc/59/89/34/386598934.db2.gz NLBICQBYPBNGLB-VXGBXAGGSA-N 2 1 211.353 0.812 20 0 BCADMP Cn1nnc2cc(C[NH2+]CC(C)(C)[NH3+])ccc21 ZINC000414802554 386595787 /nfs/dbraw/zinc/59/57/87/386595787.db2.gz KLXAWLDJGUNAFX-UHFFFAOYSA-N 2 1 233.319 0.795 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417675231 386531370 /nfs/dbraw/zinc/53/13/70/386531370.db2.gz BRROMWVYZFSHLM-SNVBAGLBSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902554 386532385 /nfs/dbraw/zinc/53/23/85/386532385.db2.gz LXBXADPUNNTOBY-MFKMUULPSA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@H]1C[C@H](C[N@H+](CCN)CCO)CCO1 ZINC000414917249 386532761 /nfs/dbraw/zinc/53/27/61/386532761.db2.gz VNRRUSQQODZACI-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@H](C[N@@H+](CCN)CCO)CCO1 ZINC000414917249 386532766 /nfs/dbraw/zinc/53/27/66/386532766.db2.gz VNRRUSQQODZACI-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@H](C[N@H+](CC[NH3+])CCO)CCO1 ZINC000414917249 386532768 /nfs/dbraw/zinc/53/27/68/386532768.db2.gz VNRRUSQQODZACI-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@H](C[N@@H+](CC[NH3+])CCO)CCO1 ZINC000414917249 386532777 /nfs/dbraw/zinc/53/27/77/386532777.db2.gz VNRRUSQQODZACI-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415056532 386536647 /nfs/dbraw/zinc/53/66/47/386536647.db2.gz QYPBQKUWGPTRCQ-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415056532 386536653 /nfs/dbraw/zinc/53/66/53/386536653.db2.gz QYPBQKUWGPTRCQ-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415056532 386536657 /nfs/dbraw/zinc/53/66/57/386536657.db2.gz QYPBQKUWGPTRCQ-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519707618 386540662 /nfs/dbraw/zinc/54/06/62/386540662.db2.gz FYUMCHOAHKYGKW-NEPJUHHUSA-N 3 1 213.369 0.949 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647973992 386544565 /nfs/dbraw/zinc/54/45/65/386544565.db2.gz QZEJRFRUNBYDLC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647973992 386544568 /nfs/dbraw/zinc/54/45/68/386544568.db2.gz QZEJRFRUNBYDLC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@]1(C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000415067932 386551747 /nfs/dbraw/zinc/55/17/47/386551747.db2.gz LRNRWBVKFCBAOI-GFCCVEGCSA-N 3 1 211.353 0.718 20 0 BCADMP COC(=O)c1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c[nH]1 ZINC000414792988 386552359 /nfs/dbraw/zinc/55/23/59/386552359.db2.gz JNDYBFWSWSOERK-SNVBAGLBSA-N 2 1 239.319 0.874 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCC[NH+]1C ZINC000354090215 386556240 /nfs/dbraw/zinc/55/62/40/386556240.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000354090215 386556244 /nfs/dbraw/zinc/55/62/44/386556244.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000354090215 386556248 /nfs/dbraw/zinc/55/62/48/386556248.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000417691478 386558981 /nfs/dbraw/zinc/55/89/81/386558981.db2.gz WVBQCAXRSZQVQL-ZJUUUORDSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417691475 386559070 /nfs/dbraw/zinc/55/90/70/386559070.db2.gz WVBQCAXRSZQVQL-NXEZZACHSA-N 2 1 240.351 0.260 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903580 386568022 /nfs/dbraw/zinc/56/80/22/386568022.db2.gz MLVUMULLRUAJGS-OLZOCXBDSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903580 386568024 /nfs/dbraw/zinc/56/80/24/386568024.db2.gz MLVUMULLRUAJGS-OLZOCXBDSA-N 2 1 241.379 0.426 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(=O)NC ZINC000453396299 386569994 /nfs/dbraw/zinc/56/99/94/386569994.db2.gz HLEZKGKFEDEPSO-WISYIIOYSA-N 2 1 241.379 0.829 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)NC ZINC000453396299 386569999 /nfs/dbraw/zinc/56/99/99/386569999.db2.gz HLEZKGKFEDEPSO-WISYIIOYSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647997618 386619582 /nfs/dbraw/zinc/61/95/82/386619582.db2.gz SGIJMLMVIQHUKL-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497322 386620574 /nfs/dbraw/zinc/62/05/74/386620574.db2.gz UZZWEBXSQDIWKV-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000337142824 386627948 /nfs/dbraw/zinc/62/79/48/386627948.db2.gz UOZKZYBANNNZAB-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000337142824 386627951 /nfs/dbraw/zinc/62/79/51/386627951.db2.gz UOZKZYBANNNZAB-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415129373 386635230 /nfs/dbraw/zinc/63/52/30/386635230.db2.gz UNTBKIHPARXERB-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP COC(=O)[C@H]1CSCC[N@@H+](CCC[NH3+])C1 ZINC000415143537 386640526 /nfs/dbraw/zinc/64/05/26/386640526.db2.gz SUYHKJJBQRYATA-SECBINFHSA-N 2 1 232.349 0.173 20 0 BCADMP CCOC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337198791 386649233 /nfs/dbraw/zinc/64/92/33/386649233.db2.gz AMDPRWHEDQDGHG-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337198791 386649240 /nfs/dbraw/zinc/64/92/40/386649240.db2.gz AMDPRWHEDQDGHG-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000339806893 386650823 /nfs/dbraw/zinc/65/08/23/386650823.db2.gz RRKMDILQQFZKEN-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000339806893 386650828 /nfs/dbraw/zinc/65/08/28/386650828.db2.gz RRKMDILQQFZKEN-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000339806893 386650831 /nfs/dbraw/zinc/65/08/31/386650831.db2.gz RRKMDILQQFZKEN-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336644901 386600786 /nfs/dbraw/zinc/60/07/86/386600786.db2.gz AUXOINLHSQEBFO-QWRGUYRKSA-N 2 1 202.342 0.920 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1=O ZINC000647954450 386682542 /nfs/dbraw/zinc/68/25/42/386682542.db2.gz HMQVYFHTTUETTN-ZDUSSCGKSA-N 2 1 235.331 0.556 20 0 BCADMP C[C@@H]1C[C@@H](CNC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821514 386677592 /nfs/dbraw/zinc/67/75/92/386677592.db2.gz CIECSPCQWSYGRK-WOPDTQHZSA-N 2 1 211.353 0.716 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335520507 386659016 /nfs/dbraw/zinc/65/90/16/386659016.db2.gz FJEFBDXMHUYBQV-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249251 386691623 /nfs/dbraw/zinc/69/16/23/386691623.db2.gz MUVQWKHGZBZUAE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249251 386691628 /nfs/dbraw/zinc/69/16/28/386691628.db2.gz MUVQWKHGZBZUAE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907743 386699096 /nfs/dbraw/zinc/69/90/96/386699096.db2.gz NYCYNNIHSJQHON-UMSGYPCISA-N 3 1 223.364 0.655 20 0 BCADMP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC1 ZINC000357069028 386706162 /nfs/dbraw/zinc/70/61/62/386706162.db2.gz FECLHDSTJNKQMH-DMDPSCGWSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC1 ZINC000357069028 386706168 /nfs/dbraw/zinc/70/61/68/386706168.db2.gz FECLHDSTJNKQMH-DMDPSCGWSA-N 2 1 249.358 0.291 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357067400 386707923 /nfs/dbraw/zinc/70/79/23/386707923.db2.gz CRNPQOVASLOYBH-ZDUSSCGKSA-N 3 1 241.379 0.379 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357067400 386707929 /nfs/dbraw/zinc/70/79/29/386707929.db2.gz CRNPQOVASLOYBH-ZDUSSCGKSA-N 3 1 241.379 0.379 20 0 BCADMP CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414930079 386746281 /nfs/dbraw/zinc/74/62/81/386746281.db2.gz SLMWNKXGZVRGFH-GHMZBOCLSA-N 2 1 249.362 0.902 20 0 BCADMP C[C@@H](C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269124739 386754891 /nfs/dbraw/zinc/75/48/91/386754891.db2.gz WQVMNKFOZFGHCD-NSHDSACASA-N 2 1 235.331 0.582 20 0 BCADMP C[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269252085 386768189 /nfs/dbraw/zinc/76/81/89/386768189.db2.gz HJJJXWFJDGDMEI-SSDOTTSWSA-N 2 1 208.265 0.433 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000122355158 386741398 /nfs/dbraw/zinc/74/13/98/386741398.db2.gz JXSPLVRVMIBAHT-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)C1CC1 ZINC000122355158 386741406 /nfs/dbraw/zinc/74/14/06/386741406.db2.gz JXSPLVRVMIBAHT-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417827191 386785560 /nfs/dbraw/zinc/78/55/60/386785560.db2.gz CWVDELCLMWFCEK-WCABBAIRSA-N 2 1 243.376 0.092 20 0 BCADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000417805570 386787582 /nfs/dbraw/zinc/78/75/82/386787582.db2.gz HLIRWFGMKSOGHQ-JGVFFNPUSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@H]1CC[NH2+][C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000417805572 386787924 /nfs/dbraw/zinc/78/79/24/386787924.db2.gz HLIRWFGMKSOGHQ-YUMQZZPRSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418000670 386818101 /nfs/dbraw/zinc/81/81/01/386818101.db2.gz JRPMIOZISLCSCU-GMTAPVOTSA-N 2 1 242.367 0.506 20 0 BCADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000300011551 386801905 /nfs/dbraw/zinc/80/19/05/386801905.db2.gz LXVFVWSVHNUJRP-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000417854424 386802551 /nfs/dbraw/zinc/80/25/51/386802551.db2.gz JWSFPNGCBJQTNN-LPEHRKFASA-N 2 1 240.351 0.258 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@H+]1C1CC1 ZINC000417859699 386804359 /nfs/dbraw/zinc/80/43/59/386804359.db2.gz SKEBKSSPYCZGOR-ZJUUUORDSA-N 2 1 240.351 0.260 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417996238 386805474 /nfs/dbraw/zinc/80/54/74/386805474.db2.gz DRMRMYSUFVAWLO-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417996240 386806568 /nfs/dbraw/zinc/80/65/68/386806568.db2.gz DRMRMYSUFVAWLO-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993825 386808531 /nfs/dbraw/zinc/80/85/31/386808531.db2.gz BBMYQEVVBLNDOX-AXFHLTTASA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993829 386809440 /nfs/dbraw/zinc/80/94/40/386809440.db2.gz BBMYQEVVBLNDOX-HBNTYKKESA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000417994912 386812414 /nfs/dbraw/zinc/81/24/14/386812414.db2.gz CQPGRWNOMIFMQQ-GARJFASQSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935410 386813658 /nfs/dbraw/zinc/81/36/58/386813658.db2.gz VOONZCCWOWPUCP-RKDXNWHRSA-N 2 1 221.295 0.701 20 0 BCADMP COC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000395417227 386829304 /nfs/dbraw/zinc/82/93/04/386829304.db2.gz ZTTQODUABWNSHQ-UHFFFAOYSA-N 2 1 200.282 0.363 20 0 BCADMP COC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000395417227 386829308 /nfs/dbraw/zinc/82/93/08/386829308.db2.gz ZTTQODUABWNSHQ-UHFFFAOYSA-N 2 1 200.282 0.363 20 0 BCADMP CCN(C)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357734076 386836331 /nfs/dbraw/zinc/83/63/31/386836331.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C)C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357734073 386837556 /nfs/dbraw/zinc/83/75/56/386837556.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1[C@H](NC(=O)NCCC[NH3+])CCC[N@H+]1C ZINC000418004223 386848366 /nfs/dbraw/zinc/84/83/66/386848366.db2.gz NXLOJYNCPFRLIR-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418006958 386865358 /nfs/dbraw/zinc/86/53/58/386865358.db2.gz QQYHJHWXWYKTAM-VWYCJHECSA-N 2 1 242.367 0.363 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000335746677 386869901 /nfs/dbraw/zinc/86/99/01/386869901.db2.gz BCMAZOAMYOTUEV-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000335746677 386869903 /nfs/dbraw/zinc/86/99/03/386869903.db2.gz BCMAZOAMYOTUEV-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000334837891 386880871 /nfs/dbraw/zinc/88/08/71/386880871.db2.gz OHYHRYFJSHHSHS-WDEREUQCSA-N 2 1 229.393 0.375 20 0 BCADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302228202 386917022 /nfs/dbraw/zinc/91/70/22/386917022.db2.gz QQKLXCOUKQZXKV-JTQLQIEISA-N 2 1 248.330 0.934 20 0 BCADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302228202 386917026 /nfs/dbraw/zinc/91/70/26/386917026.db2.gz QQKLXCOUKQZXKV-JTQLQIEISA-N 2 1 248.330 0.934 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901808 /nfs/dbraw/zinc/90/18/08/386901808.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901812 /nfs/dbraw/zinc/90/18/12/386901812.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901818 /nfs/dbraw/zinc/90/18/18/386901818.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418012774 386907216 /nfs/dbraw/zinc/90/72/16/386907216.db2.gz YKNSVOBQXYXWLB-BBBLOLIVSA-N 2 1 228.340 0.116 20 0 BCADMP Cc1[nH+]c(CNC(=O)[C@H](C)[NH3+])c2n1CCCC2 ZINC000368015649 386929703 /nfs/dbraw/zinc/92/97/03/386929703.db2.gz ASCHOUKYKARLFO-QMMMGPOBSA-N 2 1 236.319 0.491 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320947 386932904 /nfs/dbraw/zinc/93/29/04/386932904.db2.gz MZKVLRRBTPMMTK-NSHDSACASA-N 2 1 248.330 0.691 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000334817919 386944711 /nfs/dbraw/zinc/94/47/11/386944711.db2.gz ADYRUYNGEQSTPX-WCQYABFASA-N 3 1 225.380 0.903 20 0 BCADMP N[C@H]1CCCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398934 386977059 /nfs/dbraw/zinc/97/70/59/386977059.db2.gz ZIRTUEKBBQXYCQ-QWHCGFSZSA-N 2 1 240.395 0.141 20 0 BCADMP COCC[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395198303 386981903 /nfs/dbraw/zinc/98/19/03/386981903.db2.gz UFKRWCVDNSLWKG-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921133 386997232 /nfs/dbraw/zinc/99/72/32/386997232.db2.gz CPWZPUGBSKHNME-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCCC1 ZINC000358686477 386997621 /nfs/dbraw/zinc/99/76/21/386997621.db2.gz NRRXALFDOCMFSJ-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000333403435 387033139 /nfs/dbraw/zinc/03/31/39/387033139.db2.gz QHMAMIRHBQCKBE-JTQLQIEISA-N 2 1 240.351 0.132 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404709 387038684 /nfs/dbraw/zinc/03/86/84/387038684.db2.gz OZVYQKFGUOCYKL-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404709 387038687 /nfs/dbraw/zinc/03/86/87/387038687.db2.gz OZVYQKFGUOCYKL-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334960703 387040679 /nfs/dbraw/zinc/04/06/79/387040679.db2.gz XFGGIWQHQNKIED-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334960703 387040683 /nfs/dbraw/zinc/04/06/83/387040683.db2.gz XFGGIWQHQNKIED-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334960703 387040684 /nfs/dbraw/zinc/04/06/84/387040684.db2.gz XFGGIWQHQNKIED-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)C(C)C ZINC000359214410 387066798 /nfs/dbraw/zinc/06/67/98/387066798.db2.gz DMNNINOHHDTPDB-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@]1(F)CNCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970788 387055047 /nfs/dbraw/zinc/05/50/47/387055047.db2.gz GIKIIHTWCUTYAM-NWDGAFQWSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970788 387055050 /nfs/dbraw/zinc/05/50/50/387055050.db2.gz GIKIIHTWCUTYAM-NWDGAFQWSA-N 2 1 229.343 0.619 20 0 BCADMP COC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000519142929 387020205 /nfs/dbraw/zinc/02/02/05/387020205.db2.gz DXOGCDCFWGBLAH-BPCQOVAHSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@@H+]1C ZINC000417400695 387021870 /nfs/dbraw/zinc/02/18/70/387021870.db2.gz KUDALDYRESIMMG-WHOHXGKFSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@H+]1C ZINC000417400695 387021875 /nfs/dbraw/zinc/02/18/75/387021875.db2.gz KUDALDYRESIMMG-WHOHXGKFSA-N 2 1 212.337 0.972 20 0 BCADMP CC[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298718 387023025 /nfs/dbraw/zinc/02/30/25/387023025.db2.gz IPDYQNZNFPOWPA-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882572 387025739 /nfs/dbraw/zinc/02/57/39/387025739.db2.gz PKUPXOQWRRPMQA-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882573 387026116 /nfs/dbraw/zinc/02/61/16/387026116.db2.gz PKUPXOQWRRPMQA-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333337843 387028463 /nfs/dbraw/zinc/02/84/63/387028463.db2.gz XKPBWOKEEGXTJU-USWWRNFRSA-N 2 1 234.347 0.997 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982169 387069537 /nfs/dbraw/zinc/06/95/37/387069537.db2.gz YVQHNBHDASUHBK-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696034 387084266 /nfs/dbraw/zinc/08/42/66/387084266.db2.gz GBCWWCCMHKRVIB-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696034 387084269 /nfs/dbraw/zinc/08/42/69/387084269.db2.gz GBCWWCCMHKRVIB-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696036 387087329 /nfs/dbraw/zinc/08/73/29/387087329.db2.gz GBCWWCCMHKRVIB-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696036 387087334 /nfs/dbraw/zinc/08/73/34/387087334.db2.gz GBCWWCCMHKRVIB-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCC([NH2+]CCOCC(F)F)CC1 ZINC000188754996 387089893 /nfs/dbraw/zinc/08/98/93/387089893.db2.gz FERHZMFKPLCLFK-UHFFFAOYSA-N 2 1 222.279 0.952 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228396516 387092913 /nfs/dbraw/zinc/09/29/13/387092913.db2.gz OHAYBIBSMIOKSK-LNFKQOIKSA-N 2 1 227.352 0.569 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000417427889 387099976 /nfs/dbraw/zinc/09/99/76/387099976.db2.gz JWHYFCHNVGAVDC-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H](C[NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423300377 387131386 /nfs/dbraw/zinc/13/13/86/387131386.db2.gz RLSRYZSQRMEVCA-CKYFFXLPSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423300377 387131392 /nfs/dbraw/zinc/13/13/92/387131392.db2.gz RLSRYZSQRMEVCA-CKYFFXLPSA-N 2 1 211.353 0.654 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000228509686 387102684 /nfs/dbraw/zinc/10/26/84/387102684.db2.gz AGVOFGJOZDXFDY-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000228509686 387102691 /nfs/dbraw/zinc/10/26/91/387102691.db2.gz AGVOFGJOZDXFDY-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645666133 387112235 /nfs/dbraw/zinc/11/22/35/387112235.db2.gz MDVIOSRTPFSTFW-NXEZZACHSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335030272 387125441 /nfs/dbraw/zinc/12/54/41/387125441.db2.gz RIOZSCFOTGNOBI-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335030272 387125444 /nfs/dbraw/zinc/12/54/44/387125444.db2.gz RIOZSCFOTGNOBI-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP CCCC[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423299717 387128692 /nfs/dbraw/zinc/12/86/92/387128692.db2.gz QMXXUDPJXFZRCC-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423305681 387141997 /nfs/dbraw/zinc/14/19/97/387141997.db2.gz CCOPLZGMONJLBC-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP CCC[NH2+]CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000423307297 387143945 /nfs/dbraw/zinc/14/39/45/387143945.db2.gz GRCVLWCYOYKYSJ-NSHDSACASA-N 2 1 239.367 0.991 20 0 BCADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000352401737 387148748 /nfs/dbraw/zinc/14/87/48/387148748.db2.gz RYHVSAOOLSVDFI-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000359923245 387193288 /nfs/dbraw/zinc/19/32/88/387193288.db2.gz KCSHDLIQLPQMRD-ZDUSSCGKSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323553 387167936 /nfs/dbraw/zinc/16/79/36/387167936.db2.gz ICTIZRKGGQDHIS-AGIUHOORSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423323553 387167939 /nfs/dbraw/zinc/16/79/39/387167939.db2.gz ICTIZRKGGQDHIS-AGIUHOORSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423329014 387172794 /nfs/dbraw/zinc/17/27/94/387172794.db2.gz BCQNVWLGXVSHRZ-PSASIEDQSA-N 2 1 233.306 0.653 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423329014 387172798 /nfs/dbraw/zinc/17/27/98/387172798.db2.gz BCQNVWLGXVSHRZ-PSASIEDQSA-N 2 1 233.306 0.653 20 0 BCADMP CC[C@]1(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1 ZINC000062910530 387172812 /nfs/dbraw/zinc/17/28/12/387172812.db2.gz TYCLTIIXCJJULK-ZDUSSCGKSA-N 2 1 239.363 0.587 20 0 BCADMP CCC(CC)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571939398 387206596 /nfs/dbraw/zinc/20/65/96/387206596.db2.gz LLMAROOMAMJWQE-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000300418264 387209070 /nfs/dbraw/zinc/20/90/70/387209070.db2.gz LWSFPRUUYGJDQF-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+](Cc1cccc2cccnc21)C[C@H](O)C[NH3+] ZINC000336795441 387211056 /nfs/dbraw/zinc/21/10/56/387211056.db2.gz KQNYEZXWDAJLPP-CYBMUJFWSA-N 2 1 245.326 0.986 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418199852 387211174 /nfs/dbraw/zinc/21/11/74/387211174.db2.gz OQZUTPZWOIBBLB-UWVGGRQHSA-N 2 1 230.356 0.362 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418200468 387212724 /nfs/dbraw/zinc/21/27/24/387212724.db2.gz QFEKILXWRYMIKK-QWRGUYRKSA-N 2 1 244.383 0.609 20 0 BCADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH3+])cn1 ZINC000423361270 387213050 /nfs/dbraw/zinc/21/30/50/387213050.db2.gz AAZHUWKHSZOZFA-UWVGGRQHSA-N 2 1 223.320 0.958 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418204294 387216991 /nfs/dbraw/zinc/21/69/91/387216991.db2.gz XETWOFJOEFBQRX-JTQLQIEISA-N 2 1 230.356 0.315 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000572001477 387219121 /nfs/dbraw/zinc/21/91/21/387219121.db2.gz RWQXEBLZLPYZPL-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000572001477 387219124 /nfs/dbraw/zinc/21/91/24/387219124.db2.gz RWQXEBLZLPYZPL-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000572001772 387219175 /nfs/dbraw/zinc/21/91/75/387219175.db2.gz UFFCIQDBRLLUOX-LBPRGKRZSA-N 2 1 227.352 0.526 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396769 387231136 /nfs/dbraw/zinc/23/11/36/387231136.db2.gz SMOBSJZLWHDPHX-XQQFMLRXSA-N 2 1 241.379 0.567 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396769 387231143 /nfs/dbraw/zinc/23/11/43/387231143.db2.gz SMOBSJZLWHDPHX-XQQFMLRXSA-N 2 1 241.379 0.567 20 0 BCADMP COCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400602959 387231526 /nfs/dbraw/zinc/23/15/26/387231526.db2.gz XBLMGNOLWPDYQT-WDEREUQCSA-N 2 1 216.325 0.380 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396761 387233106 /nfs/dbraw/zinc/23/31/06/387233106.db2.gz SMOBSJZLWHDPHX-AGIUHOORSA-N 2 1 241.379 0.567 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396761 387233107 /nfs/dbraw/zinc/23/31/07/387233107.db2.gz SMOBSJZLWHDPHX-AGIUHOORSA-N 2 1 241.379 0.567 20 0 BCADMP C[C@H]([NH3+])CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336406211 387236301 /nfs/dbraw/zinc/23/63/01/387236301.db2.gz IZHOACOOYWENFJ-VIFPVBQESA-N 2 1 208.309 0.936 20 0 BCADMP COC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353609113 387240194 /nfs/dbraw/zinc/24/01/94/387240194.db2.gz AFNPPKAHGRUESJ-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174439 387240354 /nfs/dbraw/zinc/24/03/54/387240354.db2.gz BBAWGDPLNDEZJP-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174439 387240357 /nfs/dbraw/zinc/24/03/57/387240357.db2.gz BBAWGDPLNDEZJP-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410905 387246287 /nfs/dbraw/zinc/24/62/87/387246287.db2.gz ARAAPPVANLOZFR-SFTQSGBHSA-N 2 1 249.358 0.434 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000229725697 387194375 /nfs/dbraw/zinc/19/43/75/387194375.db2.gz ODHYGMAEVONLSZ-LBPRGKRZSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](NCC(F)(F)C[NH3+])C1 ZINC000423347162 387198277 /nfs/dbraw/zinc/19/82/77/387198277.db2.gz QFIBEFHFYGRGMI-DTWKUNHWSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NCC(F)(F)C[NH3+])C1 ZINC000423347162 387198281 /nfs/dbraw/zinc/19/82/81/387198281.db2.gz QFIBEFHFYGRGMI-DTWKUNHWSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000423348141 387198353 /nfs/dbraw/zinc/19/83/53/387198353.db2.gz SSVZHTLTYZSHCT-QJPTWQEYSA-N 2 1 211.353 0.526 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000423348141 387198356 /nfs/dbraw/zinc/19/83/56/387198356.db2.gz SSVZHTLTYZSHCT-QJPTWQEYSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@H](CNC(=O)c1c[nH+]ccc1N)[N@@H+](C)C1CC1 ZINC000188166927 387256235 /nfs/dbraw/zinc/25/62/35/387256235.db2.gz RZNKXWHRCZUNTB-SECBINFHSA-N 2 1 248.330 0.876 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423381894 387264242 /nfs/dbraw/zinc/26/42/42/387264242.db2.gz DBEWUWCAHYGMBD-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684963 387269870 /nfs/dbraw/zinc/26/98/70/387269870.db2.gz PARJQVVLACRSEW-GVXVVHGQSA-N 2 1 237.347 0.196 20 0 BCADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](CCOC)C1 ZINC000423386481 387271252 /nfs/dbraw/zinc/27/12/52/387271252.db2.gz RZIGEIQICZLSKZ-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423388016 387273976 /nfs/dbraw/zinc/27/39/76/387273976.db2.gz MMKMVPUHOQDARR-VHSXEESVSA-N 2 1 227.352 0.618 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000520825062 387275876 /nfs/dbraw/zinc/27/58/76/387275876.db2.gz UGKIEHJAGHJDMC-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000423390667 387276069 /nfs/dbraw/zinc/27/60/69/387276069.db2.gz KBWASVZOOMTELV-MFKMUULPSA-N 2 1 237.347 0.339 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000572257673 387287823 /nfs/dbraw/zinc/28/78/23/387287823.db2.gz ZUMGEDRHPCNBAR-UPJWGTAASA-N 3 1 241.379 0.303 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423438099 387288884 /nfs/dbraw/zinc/28/88/84/387288884.db2.gz GTKOIQLCEFAWHK-XWLWVQCSSA-N 2 1 211.353 0.937 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423448549 387296580 /nfs/dbraw/zinc/29/65/80/387296580.db2.gz QKMPTDQMMJPGNE-FYLLDIAZSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423448549 387296586 /nfs/dbraw/zinc/29/65/86/387296586.db2.gz QKMPTDQMMJPGNE-FYLLDIAZSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1C1CC1 ZINC000423451332 387300246 /nfs/dbraw/zinc/30/02/46/387300246.db2.gz GIMQLTKHBLGZIO-XZPDDHLCSA-N 2 1 221.348 0.419 20 0 BCADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000354291772 387355490 /nfs/dbraw/zinc/35/54/90/387355490.db2.gz PEJNUMALFPYHOH-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643503030 387369052 /nfs/dbraw/zinc/36/90/52/387369052.db2.gz ZEEAMYDBWIMRLE-WDEREUQCSA-N 2 1 239.363 0.775 20 0 BCADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643503030 387369055 /nfs/dbraw/zinc/36/90/55/387369055.db2.gz ZEEAMYDBWIMRLE-WDEREUQCSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547941 387369627 /nfs/dbraw/zinc/36/96/27/387369627.db2.gz GHUJEMJDMKZUFD-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547944 387371384 /nfs/dbraw/zinc/37/13/84/387371384.db2.gz GHUJEMJDMKZUFD-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423563240 387377653 /nfs/dbraw/zinc/37/76/53/387377653.db2.gz WZSXJZRNKWHEHF-HTOAHKCRSA-N 3 1 237.391 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483814 387329729 /nfs/dbraw/zinc/32/97/29/387329729.db2.gz RRONOWMVPUMXDN-MXWKQRLJSA-N 2 1 247.333 0.913 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000423487750 387333007 /nfs/dbraw/zinc/33/30/07/387333007.db2.gz XSGIYQAQACJTRP-NWDGAFQWSA-N 2 1 213.369 0.914 20 0 BCADMP C[N@@H+](CCCO)[C@H]1CCC[NH+](CCCO)CC1 ZINC000372882048 387333212 /nfs/dbraw/zinc/33/32/12/387333212.db2.gz MCXUZNBYZXLKIH-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@H]1C[C@H]1C ZINC000423515257 387351427 /nfs/dbraw/zinc/35/14/27/387351427.db2.gz MYCZSSWAHMLEIN-KXNHARMFSA-N 2 1 211.353 0.524 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501247 387353019 /nfs/dbraw/zinc/35/30/19/387353019.db2.gz AWHPBNBNMIKHKH-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501249 387353158 /nfs/dbraw/zinc/35/31/58/387353158.db2.gz AWHPBNBNMIKHKH-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781858 387424709 /nfs/dbraw/zinc/42/47/09/387424709.db2.gz YEXLPXRUSVYLCY-IJLUTSLNSA-N 2 1 237.347 0.434 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781860 387425361 /nfs/dbraw/zinc/42/53/61/387425361.db2.gz YEXLPXRUSVYLCY-SDDRHHMPSA-N 2 1 237.347 0.434 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC1(C[NH3+])CC1 ZINC000423849483 387434044 /nfs/dbraw/zinc/43/40/44/387434044.db2.gz PCODPNASVAGVOA-UHFFFAOYSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837652 387434452 /nfs/dbraw/zinc/43/44/52/387434452.db2.gz BGEKEDAIMDWROR-JQWIXIFHSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423838220 387435520 /nfs/dbraw/zinc/43/55/20/387435520.db2.gz BQYCUXYCZVAAOU-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423849048 387435622 /nfs/dbraw/zinc/43/56/22/387435622.db2.gz PBEQJMFFVACTCY-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000516048783 387451737 /nfs/dbraw/zinc/45/17/37/387451737.db2.gz ODIQNCSJAVQUPK-LBPRGKRZSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000516048783 387451744 /nfs/dbraw/zinc/45/17/44/387451744.db2.gz ODIQNCSJAVQUPK-LBPRGKRZSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423953213 387457216 /nfs/dbraw/zinc/45/72/16/387457216.db2.gz AXSUTXGEAXXRRB-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1[NH3+] ZINC000423953954 387458336 /nfs/dbraw/zinc/45/83/36/387458336.db2.gz BOTMFMDABYTRBP-WYUUTHIRSA-N 2 1 239.363 0.665 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423640251 387392337 /nfs/dbraw/zinc/39/23/37/387392337.db2.gz GLMRBGOWCOBXRW-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423974748 387460150 /nfs/dbraw/zinc/46/01/50/387460150.db2.gz LDFILNOEFPLSRH-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000423752406 387409855 /nfs/dbraw/zinc/40/98/55/387409855.db2.gz APILGYWGGNMPBS-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[NH3+] ZINC000423756698 387411566 /nfs/dbraw/zinc/41/15/66/387411566.db2.gz HLVRBHPOVIKQHY-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000423770424 387420375 /nfs/dbraw/zinc/42/03/75/387420375.db2.gz HMAFRWGNPNIHGI-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000423778048 387423150 /nfs/dbraw/zinc/42/31/50/387423150.db2.gz SLWOIRSXZQKXRJ-QWRGUYRKSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474908 387497018 /nfs/dbraw/zinc/49/70/18/387497018.db2.gz MDAMZZNTSZATSU-ZDEQEGDKSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474908 387497024 /nfs/dbraw/zinc/49/70/24/387497024.db2.gz MDAMZZNTSZATSU-ZDEQEGDKSA-N 2 1 241.379 0.436 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648110422 387501955 /nfs/dbraw/zinc/50/19/55/387501955.db2.gz JGNWGZHLXQCQIC-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422029444 387543015 /nfs/dbraw/zinc/54/30/15/387543015.db2.gz XZYDCLLFNPHRAS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422029444 387543020 /nfs/dbraw/zinc/54/30/20/387543020.db2.gz XZYDCLLFNPHRAS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422029444 387543022 /nfs/dbraw/zinc/54/30/22/387543022.db2.gz XZYDCLLFNPHRAS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000374998101 387506815 /nfs/dbraw/zinc/50/68/15/387506815.db2.gz ZYOLVZVSHKYESV-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000361695295 387523160 /nfs/dbraw/zinc/52/31/60/387523160.db2.gz DEOVLVLZPKKQRX-JOYOIKCWSA-N 2 1 233.315 0.637 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000361695295 387523164 /nfs/dbraw/zinc/52/31/64/387523164.db2.gz DEOVLVLZPKKQRX-JOYOIKCWSA-N 2 1 233.315 0.637 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981452 387462826 /nfs/dbraw/zinc/46/28/26/387462826.db2.gz XAIJRQSEYNFKMA-USZNOCQGSA-N 2 1 239.363 0.807 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423997947 387464056 /nfs/dbraw/zinc/46/40/56/387464056.db2.gz MABJEPWHWUAXAH-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP C[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000424016991 387466317 /nfs/dbraw/zinc/46/63/17/387466317.db2.gz FEANVCVALARCGE-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000424022781 387468543 /nfs/dbraw/zinc/46/85/43/387468543.db2.gz UUUJUZMJBOYOKJ-UHFFFAOYSA-N 2 1 215.341 0.395 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424046049 387470022 /nfs/dbraw/zinc/47/00/22/387470022.db2.gz PFZXBEVXLLRBQO-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H](O)C[NH+](C)C/C=C\C[N@H+](C)C[C@H](C)O ZINC000361499872 387475102 /nfs/dbraw/zinc/47/51/02/387475102.db2.gz WOQQEXFDSULKBT-YGABWQLJSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643474569 387492115 /nfs/dbraw/zinc/49/21/15/387492115.db2.gz QEKDJEFPFMZLLK-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643474569 387492121 /nfs/dbraw/zinc/49/21/21/387492121.db2.gz QEKDJEFPFMZLLK-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH3+] ZINC000648110546 387582132 /nfs/dbraw/zinc/58/21/32/387582132.db2.gz BXCVPLBACRKYRU-ZJUUUORDSA-N 2 1 238.335 0.860 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430548919 387628191 /nfs/dbraw/zinc/62/81/91/387628191.db2.gz WUAIPDQYVWJHAH-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848635 387588013 /nfs/dbraw/zinc/58/80/13/387588013.db2.gz LFTMRJUSFLDXCP-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000375852738 387588209 /nfs/dbraw/zinc/58/82/09/387588209.db2.gz VBWBZBCTJAYUKF-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000375852736 387588491 /nfs/dbraw/zinc/58/84/91/387588491.db2.gz VBWBZBCTJAYUKF-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2(F)CC2)CC1 ZINC000527517836 387594413 /nfs/dbraw/zinc/59/44/13/387594413.db2.gz AOEBCEMWJJDYPA-UHFFFAOYSA-N 2 1 243.326 0.242 20 0 BCADMP CCCC[N@@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422715602 387629027 /nfs/dbraw/zinc/62/90/27/387629027.db2.gz SQGYDTXLWLDOHB-NSHDSACASA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000362385208 387605986 /nfs/dbraw/zinc/60/59/86/387605986.db2.gz ULDZQTKNVIRATM-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422614232 387606736 /nfs/dbraw/zinc/60/67/36/387606736.db2.gz YEZOJDCKNGPBPG-DCAQKATOSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422614233 387607509 /nfs/dbraw/zinc/60/75/09/387607509.db2.gz YEZOJDCKNGPBPG-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP CC[NH2+]CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422611782 387607560 /nfs/dbraw/zinc/60/75/60/387607560.db2.gz SUEGBMDYIAUBDX-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636571 387610197 /nfs/dbraw/zinc/61/01/97/387610197.db2.gz NCZGCUWIHLBNOJ-IJLUTSLNSA-N 3 1 229.368 0.267 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422705168 387621640 /nfs/dbraw/zinc/62/16/40/387621640.db2.gz BHGSGQJTKVBUFA-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422710398 387624042 /nfs/dbraw/zinc/62/40/42/387624042.db2.gz LWRFDONBPSIFBT-IRCOFANPSA-N 2 1 214.353 0.981 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CCC[NH+]1CCOCC1 ZINC000430547513 387626553 /nfs/dbraw/zinc/62/65/53/387626553.db2.gz UMVYWRCHNZUDRY-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000426347156 387559254 /nfs/dbraw/zinc/55/92/54/387559254.db2.gz RZTVJVGCYJJCAR-IRCOFANPSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430548499 387627377 /nfs/dbraw/zinc/62/73/77/387627377.db2.gz WUAIPDQYVWJHAH-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000399640657 387563945 /nfs/dbraw/zinc/56/39/45/387563945.db2.gz KCBGKNDBRBCNHM-UTUOFQBUSA-N 2 1 241.379 0.816 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H](C)[NH3+])[nH+]1 ZINC000430733283 387646618 /nfs/dbraw/zinc/64/66/18/387646618.db2.gz QZQPPFLMISDJFM-VIFPVBQESA-N 2 1 222.292 0.265 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430792654 387651692 /nfs/dbraw/zinc/65/16/92/387651692.db2.gz IHYQLJABGPBNNV-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430792649 387652111 /nfs/dbraw/zinc/65/21/11/387652111.db2.gz IHYQLJABGPBNNV-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000430802803 387654319 /nfs/dbraw/zinc/65/43/19/387654319.db2.gz OFXGRIOYBZKCSS-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000430811626 387654684 /nfs/dbraw/zinc/65/46/84/387654684.db2.gz QTCLOGKYBBXKNB-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000362769640 387658055 /nfs/dbraw/zinc/65/80/55/387658055.db2.gz NCCKYKRGZWIMEP-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362769640 387658061 /nfs/dbraw/zinc/65/80/61/387658061.db2.gz NCCKYKRGZWIMEP-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362769640 387658065 /nfs/dbraw/zinc/65/80/65/387658065.db2.gz NCCKYKRGZWIMEP-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430896936 387658486 /nfs/dbraw/zinc/65/84/86/387658486.db2.gz LRKJVBATWGHPFJ-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[NH3+] ZINC000430898251 387659167 /nfs/dbraw/zinc/65/91/67/387659167.db2.gz VGZMUCONFKGXJL-PHIMTYICSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430889283 387659299 /nfs/dbraw/zinc/65/92/99/387659299.db2.gz KRAXNZAQDYHBOR-VXGBXAGGSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000430919669 387661309 /nfs/dbraw/zinc/66/13/09/387661309.db2.gz MAXHRFWUFWOTJC-USWWRNFRSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000430919669 387661313 /nfs/dbraw/zinc/66/13/13/387661313.db2.gz MAXHRFWUFWOTJC-USWWRNFRSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000430919667 387661485 /nfs/dbraw/zinc/66/14/85/387661485.db2.gz MAXHRFWUFWOTJC-JLLWLGSASA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000430919667 387661486 /nfs/dbraw/zinc/66/14/86/387661486.db2.gz MAXHRFWUFWOTJC-JLLWLGSASA-N 2 1 237.347 0.419 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958875 387663108 /nfs/dbraw/zinc/66/31/08/387663108.db2.gz ZNGOGAKEFWLHEE-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958875 387663109 /nfs/dbraw/zinc/66/31/09/387663109.db2.gz ZNGOGAKEFWLHEE-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958874 387663190 /nfs/dbraw/zinc/66/31/90/387663190.db2.gz ZNGOGAKEFWLHEE-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958874 387663193 /nfs/dbraw/zinc/66/31/93/387663193.db2.gz ZNGOGAKEFWLHEE-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422765330 387664900 /nfs/dbraw/zinc/66/49/00/387664900.db2.gz OVSFSHHCVITDHH-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430968333 387666528 /nfs/dbraw/zinc/66/65/28/387666528.db2.gz XWTOOILMIOOLAZ-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP CNC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430968333 387666533 /nfs/dbraw/zinc/66/65/33/387666533.db2.gz XWTOOILMIOOLAZ-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023853 387670268 /nfs/dbraw/zinc/67/02/68/387670268.db2.gz JHTUYAPGDSKJPT-DLOVCJGASA-N 2 1 237.347 0.337 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431021692 387671135 /nfs/dbraw/zinc/67/11/35/387671135.db2.gz ARYGVWRYDLLVTK-LSJOCFKGSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000431032258 387672121 /nfs/dbraw/zinc/67/21/21/387672121.db2.gz ILQMUVYMCQHWCY-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422744185 387688758 /nfs/dbraw/zinc/68/87/58/387688758.db2.gz SKSOKIUJVJNKSJ-WZRBSPASSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422744183 387691374 /nfs/dbraw/zinc/69/13/74/387691374.db2.gz SKSOKIUJVJNKSJ-NTZNESFSSA-N 2 1 223.364 0.811 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422791418 387694015 /nfs/dbraw/zinc/69/40/15/387694015.db2.gz YJBUOAXNECYGDC-VXGBXAGGSA-N 2 1 231.384 0.670 20 0 BCADMP COCCCN(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422791418 387694021 /nfs/dbraw/zinc/69/40/21/387694021.db2.gz YJBUOAXNECYGDC-VXGBXAGGSA-N 2 1 231.384 0.670 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739766 387747348 /nfs/dbraw/zinc/74/73/48/387747348.db2.gz BPQSCDIRBPWXKG-NWDGAFQWSA-N 2 1 241.379 0.688 20 0 BCADMP COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000127336048 387711544 /nfs/dbraw/zinc/71/15/44/387711544.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127336048 387711550 /nfs/dbraw/zinc/71/15/50/387711550.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127336048 387711551 /nfs/dbraw/zinc/71/15/51/387711551.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 2 1 230.352 0.408 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377882425 387755386 /nfs/dbraw/zinc/75/53/86/387755386.db2.gz FGPDXTNXIRUVEQ-SNVBAGLBSA-N 2 1 236.319 0.438 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422843747 387730397 /nfs/dbraw/zinc/73/03/97/387730397.db2.gz JIOVJFZMOJVXHC-RYUDHWBXSA-N 2 1 229.368 0.424 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422840734 387732734 /nfs/dbraw/zinc/73/27/34/387732734.db2.gz CAFYVSAESPHKPC-NWDGAFQWSA-N 2 1 231.384 0.670 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422840734 387732738 /nfs/dbraw/zinc/73/27/38/387732738.db2.gz CAFYVSAESPHKPC-NWDGAFQWSA-N 3 1 231.384 0.670 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422840734 387732742 /nfs/dbraw/zinc/73/27/42/387732742.db2.gz CAFYVSAESPHKPC-NWDGAFQWSA-N 3 1 231.384 0.670 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000422848608 387734360 /nfs/dbraw/zinc/73/43/60/387734360.db2.gz AXYINMFMNVBZLU-OUAUKWLOSA-N 2 1 209.337 0.563 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000367673839 387741637 /nfs/dbraw/zinc/74/16/37/387741637.db2.gz YIWPXFWPIZABPJ-CMPLNLGQSA-N 2 1 248.330 0.149 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000129145821 387763363 /nfs/dbraw/zinc/76/33/63/387763363.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000129145821 387763368 /nfs/dbraw/zinc/76/33/68/387763368.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000129145821 387763372 /nfs/dbraw/zinc/76/33/72/387763372.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892902 387763700 /nfs/dbraw/zinc/76/37/00/387763700.db2.gz ZSDWLCWJDGTOBS-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CC12CC2 ZINC000527889630 387773673 /nfs/dbraw/zinc/77/36/73/387773673.db2.gz HMJZZRIDWWAPLT-LOWVWBTDSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CC12CC2 ZINC000527889630 387773678 /nfs/dbraw/zinc/77/36/78/387773678.db2.gz HMJZZRIDWWAPLT-LOWVWBTDSA-N 2 1 224.348 0.831 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422981411 387791771 /nfs/dbraw/zinc/79/17/71/387791771.db2.gz SQCPPXZBDDLUAM-AXFHLTTASA-N 2 1 200.326 0.735 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982917 387793738 /nfs/dbraw/zinc/79/37/38/387793738.db2.gz YEFAKYWGYIPQPM-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422982683 387793979 /nfs/dbraw/zinc/79/39/79/387793979.db2.gz XOAKQLNBINAYNU-WOPDTQHZSA-N 2 1 214.353 0.981 20 0 BCADMP CSCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422988365 387798332 /nfs/dbraw/zinc/79/83/32/387798332.db2.gz IUYQUOPLVVOOCC-GMTAPVOTSA-N 2 1 232.393 0.831 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309488106 387804008 /nfs/dbraw/zinc/80/40/08/387804008.db2.gz XOOKAYUGKGQICU-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309488106 387804011 /nfs/dbraw/zinc/80/40/11/387804011.db2.gz XOOKAYUGKGQICU-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442621119 387808034 /nfs/dbraw/zinc/80/80/34/387808034.db2.gz OUGNHDVBTWGPMP-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442659452 387810032 /nfs/dbraw/zinc/81/00/32/387810032.db2.gz KPHUXKYOXBFVOC-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442659452 387810035 /nfs/dbraw/zinc/81/00/35/387810035.db2.gz KPHUXKYOXBFVOC-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000442667704 387819952 /nfs/dbraw/zinc/81/99/52/387819952.db2.gz ZRDLKLVNBDQFIP-UTUOFQBUSA-N 2 1 213.369 0.996 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCSCCCO ZINC000422973937 387823811 /nfs/dbraw/zinc/82/38/11/387823811.db2.gz CYNMDFLXZWLCBP-GHMZBOCLSA-N 2 1 232.393 0.690 20 0 BCADMP CC[C@H](CCO)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422974149 387824204 /nfs/dbraw/zinc/82/42/04/387824204.db2.gz DHSISHFMTAGSET-MXWKQRLJSA-N 2 1 200.326 0.735 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424157170 387827244 /nfs/dbraw/zinc/82/72/44/387827244.db2.gz QTKRPNMQKJEPSZ-UTUOFQBUSA-N 2 1 248.330 0.530 20 0 BCADMP C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423007388 387828839 /nfs/dbraw/zinc/82/88/39/387828839.db2.gz QPFLKGQDLBDNEW-OUAUKWLOSA-N 2 1 200.326 0.593 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528023090 387828891 /nfs/dbraw/zinc/82/88/91/387828891.db2.gz DIKCUNGSEGAYKB-CMPLNLGQSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCO ZINC000423008955 387830965 /nfs/dbraw/zinc/83/09/65/387830965.db2.gz UXDTYQQPPDBUAA-WDEREUQCSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423009382 387831254 /nfs/dbraw/zinc/83/12/54/387831254.db2.gz VLDNOPBFRUPJST-QJPTWQEYSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CCC1 ZINC000442767807 387834775 /nfs/dbraw/zinc/83/47/75/387834775.db2.gz RRMPSDRRNMZQJT-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1CCC1 ZINC000442767807 387834779 /nfs/dbraw/zinc/83/47/79/387834779.db2.gz RRMPSDRRNMZQJT-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000442765696 387835028 /nfs/dbraw/zinc/83/50/28/387835028.db2.gz JONYOLJOMKRSKR-GMTAPVOTSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000442765696 387835030 /nfs/dbraw/zinc/83/50/30/387835030.db2.gz JONYOLJOMKRSKR-GMTAPVOTSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424158627 387836157 /nfs/dbraw/zinc/83/61/57/387836157.db2.gz UDEDJAXJICGKGW-MKHNBGRSSA-N 2 1 223.320 0.075 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423015044 387839495 /nfs/dbraw/zinc/83/94/95/387839495.db2.gz QFYIXEAIFWMESP-RYUDHWBXSA-N 2 1 241.379 0.736 20 0 BCADMP CC[NH+](CC)CCOCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423029443 387845392 /nfs/dbraw/zinc/84/53/92/387845392.db2.gz AHNONIAUKPBVFO-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H]1N ZINC000423029443 387845401 /nfs/dbraw/zinc/84/54/01/387845401.db2.gz AHNONIAUKPBVFO-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423031332 387846823 /nfs/dbraw/zinc/84/68/23/387846823.db2.gz XBXKOAXTRXBXPO-WHOHXGKFSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033446 387848659 /nfs/dbraw/zinc/84/86/59/387848659.db2.gz GRQNZEXYXHDOEF-YNEHKIRRSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033439 387848996 /nfs/dbraw/zinc/84/89/96/387848996.db2.gz GRQNZEXYXHDOEF-AGIUHOORSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H]1[C@@H](NC2CC[NH2+]CC2)CCC[N@H+]1C ZINC000423036413 387850391 /nfs/dbraw/zinc/85/03/91/387850391.db2.gz TZOWDYWYQQUECS-JQWIXIFHSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H]1[C@@H]([NH2+]C2CC[NH2+]CC2)CCCN1C ZINC000423036413 387850393 /nfs/dbraw/zinc/85/03/93/387850393.db2.gz TZOWDYWYQQUECS-JQWIXIFHSA-N 2 1 211.353 0.811 20 0 BCADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423036928 387851067 /nfs/dbraw/zinc/85/10/67/387851067.db2.gz LZCRFEWRGHMBJQ-FVCCEPFGSA-N 2 1 242.363 0.911 20 0 BCADMP CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038155 387851770 /nfs/dbraw/zinc/85/17/70/387851770.db2.gz NUIGICMBSWROHH-FRRDWIJNSA-N 2 1 241.379 0.173 20 0 BCADMP CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629327 387857709 /nfs/dbraw/zinc/85/77/09/387857709.db2.gz DNAIVNOCVWCRPN-XQQFMLRXSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)OC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629327 387857712 /nfs/dbraw/zinc/85/77/12/387857712.db2.gz DNAIVNOCVWCRPN-XQQFMLRXSA-N 2 1 242.363 0.266 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154225 387814181 /nfs/dbraw/zinc/81/41/81/387814181.db2.gz LGWJFRZEQNOSHT-KKOKHZNYSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]([NH3+])CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442667077 387819081 /nfs/dbraw/zinc/81/90/81/387819081.db2.gz VDBQPVNPPMQRMM-WCQYABFASA-N 2 1 225.380 0.997 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181702 387897320 /nfs/dbraw/zinc/89/73/20/387897320.db2.gz RYKFVIFYEGHEGG-WHOHXGKFSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537236 387875654 /nfs/dbraw/zinc/87/56/54/387875654.db2.gz BOHUJULCLFQLRP-BLFANLJRSA-N 2 1 241.354 0.759 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000151857068 387879653 /nfs/dbraw/zinc/87/96/53/387879653.db2.gz ZOIYAKCIQIDSAR-UHFFFAOYSA-N 2 1 201.314 0.180 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391759 387915878 /nfs/dbraw/zinc/91/58/78/387915878.db2.gz BCENZLDKVQAILS-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCCCO)CC[N@H+]1C ZINC000158152008 387935086 /nfs/dbraw/zinc/93/50/86/387935086.db2.gz XRPTUNGOCMCTMM-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCCO)CC[N@H+]1C ZINC000158151588 387935568 /nfs/dbraw/zinc/93/55/68/387935568.db2.gz XRPTUNGOCMCTMM-GHMZBOCLSA-N 2 1 200.326 0.831 20 0 BCADMP COc1nccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423145317 387923595 /nfs/dbraw/zinc/92/35/95/387923595.db2.gz KBKVNXUWHNBOEG-ONGXEEELSA-N 2 1 236.319 0.702 20 0 BCADMP COCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457946 387955705 /nfs/dbraw/zinc/95/57/05/387955705.db2.gz QOHOTBFTTQMEDH-TUAOUCFPSA-N 2 1 230.352 0.768 20 0 BCADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](C)O ZINC000423158097 387938030 /nfs/dbraw/zinc/93/80/30/387938030.db2.gz WGHWFQQJWDIIHY-VLEAKVRGSA-N 2 1 200.326 0.876 20 0 BCADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H](C)O ZINC000423158098 387939943 /nfs/dbraw/zinc/93/99/43/387939943.db2.gz WGHWFQQJWDIIHY-XWLWVQCSSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(CO)CC1 ZINC000423161127 387943020 /nfs/dbraw/zinc/94/30/20/387943020.db2.gz NJBQEDXICIGUPO-WDEREUQCSA-N 2 1 212.337 0.737 20 0 BCADMP c1cn([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000424258896 387944672 /nfs/dbraw/zinc/94/46/72/387944672.db2.gz CLHIOZLBVIZXAK-ZDUSSCGKSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423166996 387950716 /nfs/dbraw/zinc/95/07/16/387950716.db2.gz RRXXLKHXHBZRHQ-USWWRNFRSA-N 2 1 212.337 0.878 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424299524 387958219 /nfs/dbraw/zinc/95/82/19/387958219.db2.gz FBYPKGFIRINZDB-NSHDSACASA-N 2 1 223.324 0.525 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424299524 387958224 /nfs/dbraw/zinc/95/82/24/387958224.db2.gz FBYPKGFIRINZDB-NSHDSACASA-N 2 1 223.324 0.525 20 0 BCADMP c1cn([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000424298380 387958901 /nfs/dbraw/zinc/95/89/01/387958901.db2.gz DBRVWOLQPJOLHE-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[NH3+])CO2 ZINC000423180758 387965772 /nfs/dbraw/zinc/96/57/72/387965772.db2.gz IXTVALBLAQLZQK-SNVBAGLBSA-N 2 1 222.288 0.547 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368493 387991990 /nfs/dbraw/zinc/99/19/90/387991990.db2.gz AAWMPJCURXPTSA-LLVKDONJSA-N 2 1 249.362 0.779 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424368627 387992039 /nfs/dbraw/zinc/99/20/39/387992039.db2.gz BLWWJFMDDVWJLU-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424368626 387992745 /nfs/dbraw/zinc/99/27/45/387992745.db2.gz BLWWJFMDDVWJLU-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423210607 387995360 /nfs/dbraw/zinc/99/53/60/387995360.db2.gz KCDOZLWINMHELK-WOPDTQHZSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423210607 387995365 /nfs/dbraw/zinc/99/53/65/387995365.db2.gz KCDOZLWINMHELK-WOPDTQHZSA-N 2 1 211.353 0.526 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423200327 387985831 /nfs/dbraw/zinc/98/58/31/387985831.db2.gz LVEBNANFCIWRAK-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423200568 387986295 /nfs/dbraw/zinc/98/62/95/387986295.db2.gz MPOKJXITYDNHQT-QJPTWQEYSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423200568 387986299 /nfs/dbraw/zinc/98/62/99/387986299.db2.gz MPOKJXITYDNHQT-QJPTWQEYSA-N 3 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423200568 387986302 /nfs/dbraw/zinc/98/63/02/387986302.db2.gz MPOKJXITYDNHQT-QJPTWQEYSA-N 3 1 213.369 0.914 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371885 387997487 /nfs/dbraw/zinc/99/74/87/387997487.db2.gz VWWGONXHUCBQST-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423217922 387998905 /nfs/dbraw/zinc/99/89/05/387998905.db2.gz STSMDFUDXQTYRF-VOAKCMCISA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nn1)CC[NH2+]CC2 ZINC000424383867 388000973 /nfs/dbraw/zinc/00/09/73/388000973.db2.gz UQQMHXYXOUQXFR-LLVKDONJSA-N 2 1 249.362 0.779 20 0 BCADMP C[C@H]([NH3+])CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423226371 388008991 /nfs/dbraw/zinc/00/89/91/388008991.db2.gz QMERZEOKSUIOCO-SCVCMEIPSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423226371 388008996 /nfs/dbraw/zinc/00/89/96/388008996.db2.gz QMERZEOKSUIOCO-SCVCMEIPSA-N 2 1 211.353 0.796 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000446270476 388009435 /nfs/dbraw/zinc/00/94/35/388009435.db2.gz STCNJOBUEJXWHN-SRVKXCTJSA-N 2 1 237.347 0.339 20 0 BCADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423210015 387996219 /nfs/dbraw/zinc/99/62/19/387996219.db2.gz GVCRQQRUSXLHSE-NEPJUHHUSA-N 2 1 222.336 0.859 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370986 387996333 /nfs/dbraw/zinc/99/63/33/387996333.db2.gz FLPMIKUPOMHMRF-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370986 387996335 /nfs/dbraw/zinc/99/63/35/387996335.db2.gz FLPMIKUPOMHMRF-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257206 388019350 /nfs/dbraw/zinc/01/93/50/388019350.db2.gz CXGXMNBAPXYCGX-JTQLQIEISA-N 2 1 239.363 0.857 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[NH+](C)C ZINC000440261174 388037712 /nfs/dbraw/zinc/03/77/12/388037712.db2.gz RCLVYJSDPFIOBY-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000423262668 388040418 /nfs/dbraw/zinc/04/04/18/388040418.db2.gz NCRRWYYDAUMBJU-TUAOUCFPSA-N 2 1 213.369 0.900 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423264009 388041595 /nfs/dbraw/zinc/04/15/95/388041595.db2.gz PLKBKJPOCPRKEL-MWLCHTKSSA-N 2 1 227.352 0.748 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000082304282 388026497 /nfs/dbraw/zinc/02/64/97/388026497.db2.gz IOVFEMXTXMVTFG-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000082304282 388026501 /nfs/dbraw/zinc/02/65/01/388026501.db2.gz IOVFEMXTXMVTFG-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP COC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000156754236 388030668 /nfs/dbraw/zinc/03/06/68/388030668.db2.gz ZJOPYCOHLVZWSX-SNVBAGLBSA-N 2 1 216.325 0.855 20 0 BCADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271438 388051419 /nfs/dbraw/zinc/05/14/19/388051419.db2.gz HLOKNFMDKCVZSA-CMPLNLGQSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C(C)C ZINC000423275610 388056435 /nfs/dbraw/zinc/05/64/35/388056435.db2.gz LXSGKXBOVBRVNZ-WDEREUQCSA-N 2 1 200.326 0.984 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423278845 388059789 /nfs/dbraw/zinc/05/97/89/388059789.db2.gz RRQBHCOQUPXPJF-TUAOUCFPSA-N 2 1 213.369 0.949 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000083834926 388063404 /nfs/dbraw/zinc/06/34/04/388063404.db2.gz DIMWWDUEPSWAHS-UHFFFAOYSA-N 2 1 223.320 0.032 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH3+])C1 ZINC000083903353 388064543 /nfs/dbraw/zinc/06/45/43/388064543.db2.gz GVXKFRBUDKVILR-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+](C)[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000195120197 388097849 /nfs/dbraw/zinc/09/78/49/388097849.db2.gz SZTOGVXJNAWVSB-LLVKDONJSA-N 2 1 221.304 0.364 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086066552 388099448 /nfs/dbraw/zinc/09/94/48/388099448.db2.gz KAIIBRQMMZTUKS-WDEREUQCSA-N 2 1 227.352 0.300 20 0 BCADMP CC[N@@H+](CCC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703092 388106935 /nfs/dbraw/zinc/10/69/35/388106935.db2.gz JXKRIKNTSOZNOH-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932336 388111136 /nfs/dbraw/zinc/11/11/36/388111136.db2.gz DUCLRAKRNXEVCF-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@H+](CCOC)C1 ZINC000423267083 388045598 /nfs/dbraw/zinc/04/55/98/388045598.db2.gz DUETVWZLYXVYGM-RYUDHWBXSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](CCOC)C1 ZINC000423267083 388045600 /nfs/dbraw/zinc/04/56/00/388045600.db2.gz DUETVWZLYXVYGM-RYUDHWBXSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449241292 388161255 /nfs/dbraw/zinc/16/12/55/388161255.db2.gz AJLQGIBHWYYWCV-YPMHNXCESA-N 2 1 238.331 0.867 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449241292 388161256 /nfs/dbraw/zinc/16/12/56/388161256.db2.gz AJLQGIBHWYYWCV-YPMHNXCESA-N 2 1 238.331 0.867 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[N@H+]1C ZINC000646077538 388138015 /nfs/dbraw/zinc/13/80/15/388138015.db2.gz UASMMDYZHVVVST-OUAUKWLOSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@H+]1C ZINC000646077537 388138225 /nfs/dbraw/zinc/13/82/25/388138225.db2.gz UASMMDYZHVVVST-MXWKQRLJSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000449105802 388142803 /nfs/dbraw/zinc/14/28/03/388142803.db2.gz IWKBUSAVRLLYIB-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CO[C@@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105759 388142991 /nfs/dbraw/zinc/14/29/91/388142991.db2.gz GVQKDSWKCXWIIC-LBPRGKRZSA-N 2 1 242.363 0.818 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000449105800 388143016 /nfs/dbraw/zinc/14/30/16/388143016.db2.gz IWKBUSAVRLLYIB-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104701 388143367 /nfs/dbraw/zinc/14/33/67/388143367.db2.gz UHZVEOMBAJXYFM-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000449118015 388145261 /nfs/dbraw/zinc/14/52/61/388145261.db2.gz RASHUYKABHLRRE-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000449399097 388194248 /nfs/dbraw/zinc/19/42/48/388194248.db2.gz XLVMZIDGHDGVEJ-ZETCQYMHSA-N 2 1 223.267 0.085 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449397632 388194585 /nfs/dbraw/zinc/19/45/85/388194585.db2.gz RARVFXVSJSTRGV-BDAKNGLRSA-N 2 1 249.305 0.604 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000646320609 388221312 /nfs/dbraw/zinc/22/13/12/388221312.db2.gz JCBZRXBRAYCVTP-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576284 388236723 /nfs/dbraw/zinc/23/67/23/388236723.db2.gz RIUWJAQWDYQMHB-CMPLNLGQSA-N 2 1 245.342 0.664 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449577695 388237038 /nfs/dbraw/zinc/23/70/38/388237038.db2.gz XNWPXJDDNKLGAS-JQWIXIFHSA-N 2 1 245.342 0.377 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576285 388237055 /nfs/dbraw/zinc/23/70/55/388237055.db2.gz RIUWJAQWDYQMHB-JQWIXIFHSA-N 2 1 245.342 0.664 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000449608893 388241387 /nfs/dbraw/zinc/24/13/87/388241387.db2.gz LDBWYRUJHVFHSK-ZDUSSCGKSA-N 2 1 249.358 0.972 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000449608893 388241391 /nfs/dbraw/zinc/24/13/91/388241391.db2.gz LDBWYRUJHVFHSK-ZDUSSCGKSA-N 2 1 249.358 0.972 20 0 BCADMP COCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643195 388241970 /nfs/dbraw/zinc/24/19/70/388241970.db2.gz VRCWCNJNNQSDDA-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640438 388247873 /nfs/dbraw/zinc/24/78/73/388247873.db2.gz BFEPTCZBFJZUFS-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845205 388324671 /nfs/dbraw/zinc/32/46/71/388324671.db2.gz JSPNEYNCADRAJC-FOQNGQEVSA-N 2 1 239.363 0.657 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000491861920 388325092 /nfs/dbraw/zinc/32/50/92/388325092.db2.gz BFBHAHUJERGRDS-XOIDGJRKSA-N 2 1 225.336 0.315 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491869764 388325497 /nfs/dbraw/zinc/32/54/97/388325497.db2.gz NMXVTISRUGEUNA-MVIFTORASA-N 2 1 225.336 0.267 20 0 BCADMP CC[N@@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491868744 388325609 /nfs/dbraw/zinc/32/56/09/388325609.db2.gz MNQWTMWZPAQMCE-VOTSOKGWSA-N 2 1 213.325 0.172 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000491885185 388326193 /nfs/dbraw/zinc/32/61/93/388326193.db2.gz NRUZRYVIUKROFN-TXNVCOODSA-N 2 1 237.347 0.411 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000491885184 388326261 /nfs/dbraw/zinc/32/62/61/388326261.db2.gz NRUZRYVIUKROFN-RNZFLTOJSA-N 2 1 237.347 0.411 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953483 388269339 /nfs/dbraw/zinc/26/93/39/388269339.db2.gz VUUINCBMAJPNDP-NEPJUHHUSA-N 2 1 239.363 0.570 20 0 BCADMP COC[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000276694552 388351077 /nfs/dbraw/zinc/35/10/77/388351077.db2.gz SQWFCYGEOJDYKP-LBPRGKRZSA-N 2 1 223.320 0.977 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000234286729 388354238 /nfs/dbraw/zinc/35/42/38/388354238.db2.gz HUYMPFWJGKGLDR-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000234286729 388354241 /nfs/dbraw/zinc/35/42/41/388354241.db2.gz HUYMPFWJGKGLDR-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000646523210 388375001 /nfs/dbraw/zinc/37/50/01/388375001.db2.gz OHXFDLHBVRMIOM-GFCCVEGCSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCCC1=O ZINC000572777898 388375360 /nfs/dbraw/zinc/37/53/60/388375360.db2.gz PPFWRDVDPQUPBO-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCCC1=O ZINC000572777898 388375363 /nfs/dbraw/zinc/37/53/63/388375363.db2.gz PPFWRDVDPQUPBO-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000524720921 388377558 /nfs/dbraw/zinc/37/75/58/388377558.db2.gz MTWXWQAXAWNALT-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000524720921 388377560 /nfs/dbraw/zinc/37/75/60/388377560.db2.gz MTWXWQAXAWNALT-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000524720921 388377561 /nfs/dbraw/zinc/37/75/61/388377561.db2.gz MTWXWQAXAWNALT-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236906599 388386238 /nfs/dbraw/zinc/38/62/38/388386238.db2.gz RUWMINDQTYSSCP-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000237287904 388392439 /nfs/dbraw/zinc/39/24/39/388392439.db2.gz XOOXYIOBOXZRLR-SNVBAGLBSA-N 2 1 215.341 0.298 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000237422199 388394752 /nfs/dbraw/zinc/39/47/52/388394752.db2.gz CXGZYPVRVFYSKY-LBPRGKRZSA-N 2 1 249.358 0.924 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000237422199 388394753 /nfs/dbraw/zinc/39/47/53/388394753.db2.gz CXGZYPVRVFYSKY-LBPRGKRZSA-N 2 1 249.358 0.924 20 0 BCADMP C[C@@H](CNC(=O)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000237537260 388395714 /nfs/dbraw/zinc/39/57/14/388395714.db2.gz SLVQHXDSVMZHBA-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000237605183 388397137 /nfs/dbraw/zinc/39/71/37/388397137.db2.gz CXGZYPVRVFYSKY-GFCCVEGCSA-N 2 1 249.358 0.924 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000237605183 388397138 /nfs/dbraw/zinc/39/71/38/388397138.db2.gz CXGZYPVRVFYSKY-GFCCVEGCSA-N 2 1 249.358 0.924 20 0 BCADMP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000492284499 388340051 /nfs/dbraw/zinc/34/00/51/388340051.db2.gz RAHSVDGSTJLTLQ-PBWNMSGQSA-N 2 1 239.363 0.655 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000322837664 388448531 /nfs/dbraw/zinc/44/85/31/388448531.db2.gz DXAFSOYUMXZNDN-OLZOCXBDSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837664 388448533 /nfs/dbraw/zinc/44/85/33/388448533.db2.gz DXAFSOYUMXZNDN-OLZOCXBDSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000322837665 388448779 /nfs/dbraw/zinc/44/87/79/388448779.db2.gz DXAFSOYUMXZNDN-QWHCGFSZSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837665 388448780 /nfs/dbraw/zinc/44/87/80/388448780.db2.gz DXAFSOYUMXZNDN-QWHCGFSZSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC000309646015 388459986 /nfs/dbraw/zinc/45/99/86/388459986.db2.gz MFRHOGXEXLBVKN-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336659942 388460592 /nfs/dbraw/zinc/46/05/92/388460592.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336659942 388460595 /nfs/dbraw/zinc/46/05/95/388460595.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336659942 388460598 /nfs/dbraw/zinc/46/05/98/388460598.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000573123964 388421612 /nfs/dbraw/zinc/42/16/12/388421612.db2.gz RARHACZIAKUEET-GFCCVEGCSA-N 2 1 249.362 0.792 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000573123964 388421614 /nfs/dbraw/zinc/42/16/14/388421614.db2.gz RARHACZIAKUEET-GFCCVEGCSA-N 2 1 249.362 0.792 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000573164747 388427368 /nfs/dbraw/zinc/42/73/68/388427368.db2.gz XBQXINRRESWEGQ-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000573215888 388432727 /nfs/dbraw/zinc/43/27/27/388432727.db2.gz GYENAYILQGMOKP-UHFFFAOYSA-N 2 1 237.294 0.427 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000573215888 388432729 /nfs/dbraw/zinc/43/27/29/388432729.db2.gz GYENAYILQGMOKP-UHFFFAOYSA-N 2 1 237.294 0.427 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220606 388434130 /nfs/dbraw/zinc/43/41/30/388434130.db2.gz HACRXBOHSUZUSF-GHMZBOCLSA-N 2 1 223.320 0.030 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000573244965 388434953 /nfs/dbraw/zinc/43/49/53/388434953.db2.gz ARYGVWRYDLLVTK-GDPRMGEGSA-N 2 1 225.336 0.323 20 0 BCADMP CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352893497 388539811 /nfs/dbraw/zinc/53/98/11/388539811.db2.gz OWPVQXAOGTUAMU-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352893497 388539813 /nfs/dbraw/zinc/53/98/13/388539813.db2.gz OWPVQXAOGTUAMU-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000261535282 388550511 /nfs/dbraw/zinc/55/05/11/388550511.db2.gz XUXYCUZWUVKJSZ-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000517246426 388545826 /nfs/dbraw/zinc/54/58/26/388545826.db2.gz VUFJITSQAUBIQQ-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000517246424 388546200 /nfs/dbraw/zinc/54/62/00/388546200.db2.gz VUFJITSQAUBIQQ-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)([NH3+])C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000517371757 388547700 /nfs/dbraw/zinc/54/77/00/388547700.db2.gz FFIUVABKCFHYBT-QMMMGPOBSA-N 2 1 211.309 0.077 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000649273239 388483253 /nfs/dbraw/zinc/48/32/53/388483253.db2.gz ZMNXGIVKIPVSDY-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000346651466 388520735 /nfs/dbraw/zinc/52/07/35/388520735.db2.gz SNWOXYOXYNIUJT-GHMZBOCLSA-N 2 1 241.379 0.688 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H](CO)C1 ZINC000347745883 388524840 /nfs/dbraw/zinc/52/48/40/388524840.db2.gz IXXVMYCXSLTJFA-SNVBAGLBSA-N 2 1 209.293 0.277 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C)C1CC1 ZINC000351598606 388533187 /nfs/dbraw/zinc/53/31/87/388533187.db2.gz WDTUJQVXJWJEJA-NWDGAFQWSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C)C1CC1 ZINC000351598606 388533191 /nfs/dbraw/zinc/53/31/91/388533191.db2.gz WDTUJQVXJWJEJA-NWDGAFQWSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310973 388596184 /nfs/dbraw/zinc/59/61/84/388596184.db2.gz RJRBPTJTUCUWIA-KKOKHZNYSA-N 2 1 237.347 0.195 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649312493 388600047 /nfs/dbraw/zinc/60/00/47/388600047.db2.gz VDFGTKTVGRATSY-MXWKQRLJSA-N 2 1 234.303 0.058 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649312797 388600768 /nfs/dbraw/zinc/60/07/68/388600768.db2.gz WXMVCKHTZHCXFS-PHIMTYICSA-N 2 1 227.352 0.572 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301618 388584534 /nfs/dbraw/zinc/58/45/34/388584534.db2.gz HBMMTNBLIVUALA-KVSVUVNWSA-N 2 1 249.358 0.480 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247888384 388670229 /nfs/dbraw/zinc/67/02/29/388670229.db2.gz DPADAZYLGXCWQD-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247888384 388670230 /nfs/dbraw/zinc/67/02/30/388670230.db2.gz DPADAZYLGXCWQD-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247888382 388671053 /nfs/dbraw/zinc/67/10/53/388671053.db2.gz DPADAZYLGXCWQD-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247888382 388671056 /nfs/dbraw/zinc/67/10/56/388671056.db2.gz DPADAZYLGXCWQD-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000248045672 388673233 /nfs/dbraw/zinc/67/32/33/388673233.db2.gz UYHGTOUDVJERSL-WCQYABFASA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000125786635 388676447 /nfs/dbraw/zinc/67/64/47/388676447.db2.gz PFBHHZUHYZSKLO-MNOVXSKESA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000125786635 388676448 /nfs/dbraw/zinc/67/64/48/388676448.db2.gz PFBHHZUHYZSKLO-MNOVXSKESA-N 2 1 241.379 0.831 20 0 BCADMP CCC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192721062 388683337 /nfs/dbraw/zinc/68/33/37/388683337.db2.gz BCPUIJJSOUQZKE-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CO[C@H]1C[N@@H+](Cc2cnc[nH]2)[C@@](C)(CO)C1 ZINC000630076251 388618720 /nfs/dbraw/zinc/61/87/20/388618720.db2.gz IVHOMPSOKPSVMA-GHMZBOCLSA-N 2 1 225.292 0.381 20 0 BCADMP CO[C@H]1C[N@H+](Cc2c[nH]cn2)[C@@](C)(CO)C1 ZINC000630076251 388618721 /nfs/dbraw/zinc/61/87/21/388618721.db2.gz IVHOMPSOKPSVMA-GHMZBOCLSA-N 2 1 225.292 0.381 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCC[C@@H]([NH3+])C2)CCO1 ZINC000521624626 388620583 /nfs/dbraw/zinc/62/05/83/388620583.db2.gz UYSNMNJYOILBID-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCC[C@@H]([NH3+])C2)CCO1 ZINC000521624626 388620584 /nfs/dbraw/zinc/62/05/84/388620584.db2.gz UYSNMNJYOILBID-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226246 388635301 /nfs/dbraw/zinc/63/53/01/388635301.db2.gz ZEJCUWPKNAPPIP-VHSXEESVSA-N 2 1 225.336 0.385 20 0 BCADMP CCOC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232435 388637042 /nfs/dbraw/zinc/63/70/42/388637042.db2.gz PCVDVVYVKVFQKK-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328394932 388643101 /nfs/dbraw/zinc/64/31/01/388643101.db2.gz PXNGMWPWRHCJOD-UWVGGRQHSA-N 2 1 216.325 0.066 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643463 388645626 /nfs/dbraw/zinc/64/56/26/388645626.db2.gz XNDBNJDIBYVZHK-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000261554917 388648338 /nfs/dbraw/zinc/64/83/38/388648338.db2.gz PKDYQDZLDOVPLM-GFCCVEGCSA-N 2 1 238.335 0.825 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000620897926 388652520 /nfs/dbraw/zinc/65/25/20/388652520.db2.gz GUHBFPYCHIFDKM-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000250810889 388740724 /nfs/dbraw/zinc/74/07/24/388740724.db2.gz ULDUAJMHCCCXMW-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@@H+](C)CCNC(=O)NCCn1ccnc1 ZINC000194834716 388744658 /nfs/dbraw/zinc/74/46/58/388744658.db2.gz DAHISTOQNYAXKI-UHFFFAOYSA-N 2 1 239.323 0.134 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299422 388745005 /nfs/dbraw/zinc/74/50/05/388745005.db2.gz HHRVXZNVTQOLSG-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522185177 388716823 /nfs/dbraw/zinc/71/68/23/388716823.db2.gz BVWCCXCPSMFPJZ-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226439044 388719797 /nfs/dbraw/zinc/71/97/97/388719797.db2.gz WENUDZNARJNPJO-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCO ZINC000229604711 388796487 /nfs/dbraw/zinc/79/64/87/388796487.db2.gz MCSXLZAGVWFVQI-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000553256732 388758919 /nfs/dbraw/zinc/75/89/19/388758919.db2.gz LDZHIJXIYRJTPB-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000648743821 388781805 /nfs/dbraw/zinc/78/18/05/388781805.db2.gz VYCXPRXRFBCPND-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000648743821 388781809 /nfs/dbraw/zinc/78/18/09/388781809.db2.gz VYCXPRXRFBCPND-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000648743821 388781810 /nfs/dbraw/zinc/78/18/10/388781810.db2.gz VYCXPRXRFBCPND-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835775 /nfs/dbraw/zinc/83/57/75/388835775.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835777 /nfs/dbraw/zinc/83/57/77/388835777.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835780 /nfs/dbraw/zinc/83/57/80/388835780.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835783 /nfs/dbraw/zinc/83/57/83/388835783.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835785 /nfs/dbraw/zinc/83/57/85/388835785.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936641 388835788 /nfs/dbraw/zinc/83/57/88/388835788.db2.gz YZLHPOGCUZIENY-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523663169 388850462 /nfs/dbraw/zinc/85/04/62/388850462.db2.gz RDXVEEMSLZWVKH-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CC ZINC000564940914 388899935 /nfs/dbraw/zinc/89/99/35/388899935.db2.gz UZAMCONVDOIEKQ-WDEREUQCSA-N 2 1 229.368 0.960 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194867030 388901346 /nfs/dbraw/zinc/90/13/46/388901346.db2.gz PSZMASZXMSMHBM-ZYHUDNBSSA-N 2 1 235.331 0.753 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000565224677 388928052 /nfs/dbraw/zinc/92/80/52/388928052.db2.gz MJYLHVRZJZAGHS-GFCCVEGCSA-N 2 1 242.363 0.411 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416615 388943024 /nfs/dbraw/zinc/94/30/24/388943024.db2.gz FKLPHISZRFHDKZ-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000565477415 388946959 /nfs/dbraw/zinc/94/69/59/388946959.db2.gz FIYSOIYFVVDKHB-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000565477412 388947654 /nfs/dbraw/zinc/94/76/54/388947654.db2.gz FIYSOIYFVVDKHB-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261532057 533377097 /nfs/dbraw/zinc/37/70/97/533377097.db2.gz IYRAEGPLEMPERM-IJLUTSLNSA-N 2 1 210.321 0.707 20 0 BCADMP Cc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000026521350 132333539 /nfs/dbraw/zinc/33/35/39/132333539.db2.gz YUSOSBOKYGGFKB-UHFFFAOYSA-N 2 1 207.281 0.119 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000352016116 134036686 /nfs/dbraw/zinc/03/66/86/134036686.db2.gz VCMZXBWKWWSVHU-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000352016116 134036687 /nfs/dbraw/zinc/03/66/87/134036687.db2.gz VCMZXBWKWWSVHU-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000352016116 134036688 /nfs/dbraw/zinc/03/66/88/134036688.db2.gz VCMZXBWKWWSVHU-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352016116 134036689 /nfs/dbraw/zinc/03/66/89/134036689.db2.gz VCMZXBWKWWSVHU-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352022744 134037422 /nfs/dbraw/zinc/03/74/22/134037422.db2.gz QQNBFYYOBPUHOR-NWDGAFQWSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352022744 134037423 /nfs/dbraw/zinc/03/74/23/134037423.db2.gz QQNBFYYOBPUHOR-NWDGAFQWSA-N 2 1 239.319 0.009 20 0 BCADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336040982 134061801 /nfs/dbraw/zinc/06/18/01/134061801.db2.gz OTVGCBVTDCOQQN-OLZOCXBDSA-N 2 1 225.380 0.964 20 0 BCADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336040984 134062076 /nfs/dbraw/zinc/06/20/76/134062076.db2.gz OTVGCBVTDCOQQN-STQMWFEESA-N 2 1 225.380 0.964 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@@H]1O ZINC000352115823 134072871 /nfs/dbraw/zinc/07/28/71/134072871.db2.gz OXRCOVNJQMQWHT-AVGNSLFASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@@H]1O ZINC000352115823 134072872 /nfs/dbraw/zinc/07/28/72/134072872.db2.gz OXRCOVNJQMQWHT-AVGNSLFASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1O)C1CC1 ZINC000352115823 134072873 /nfs/dbraw/zinc/07/28/73/134072873.db2.gz OXRCOVNJQMQWHT-AVGNSLFASA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1O)C1CC1 ZINC000352115823 134072874 /nfs/dbraw/zinc/07/28/74/134072874.db2.gz OXRCOVNJQMQWHT-AVGNSLFASA-N 2 1 242.363 0.287 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+](C)C ZINC000336084040 134076232 /nfs/dbraw/zinc/07/62/32/134076232.db2.gz VFEFSSXGSFJOIP-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336101594 134083304 /nfs/dbraw/zinc/08/33/04/134083304.db2.gz DPGHIFVBAPUIFS-NEPJUHHUSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336101594 134083305 /nfs/dbraw/zinc/08/33/05/134083305.db2.gz DPGHIFVBAPUIFS-NEPJUHHUSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336101597 134083379 /nfs/dbraw/zinc/08/33/79/134083379.db2.gz DPGHIFVBAPUIFS-VXGBXAGGSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336101597 134083380 /nfs/dbraw/zinc/08/33/80/134083380.db2.gz DPGHIFVBAPUIFS-VXGBXAGGSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336122273 134091752 /nfs/dbraw/zinc/09/17/52/134091752.db2.gz VLCGHHUCJAEKNF-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336122273 134091753 /nfs/dbraw/zinc/09/17/53/134091753.db2.gz VLCGHHUCJAEKNF-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336170601 134114627 /nfs/dbraw/zinc/11/46/27/134114627.db2.gz PGJSWCLANFUSSI-VHSXEESVSA-N 2 1 208.309 0.936 20 0 BCADMP Cc1ccc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215206 134136185 /nfs/dbraw/zinc/13/61/85/134136185.db2.gz GCDVVVNERSQFKR-ZWNOBZJWSA-N 2 1 249.358 0.733 20 0 BCADMP C[NH+](C)CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000167953034 134155076 /nfs/dbraw/zinc/15/50/76/134155076.db2.gz XLJURKVNOKLVBE-NSHDSACASA-N 2 1 233.315 0.465 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168557823 134226391 /nfs/dbraw/zinc/22/63/91/134226391.db2.gz PHDPTLVYRZWAPU-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000168561281 134226580 /nfs/dbraw/zinc/22/65/80/134226580.db2.gz DVDOPQNUPWRGKE-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000168561281 134226581 /nfs/dbraw/zinc/22/65/81/134226581.db2.gz DVDOPQNUPWRGKE-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000177815413 134300185 /nfs/dbraw/zinc/30/01/85/134300185.db2.gz KKSIMHZKFNGHNF-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000177815413 134300186 /nfs/dbraw/zinc/30/01/86/134300186.db2.gz KKSIMHZKFNGHNF-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP COCCCOCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000220392593 134306304 /nfs/dbraw/zinc/30/63/04/134306304.db2.gz WEKCQDJEPPBUAI-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178519419 134308042 /nfs/dbraw/zinc/30/80/42/134308042.db2.gz KEIQGUSADSBPKE-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220947457 134315390 /nfs/dbraw/zinc/31/53/90/134315390.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220947457 134315391 /nfs/dbraw/zinc/31/53/91/134315391.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220947457 134315392 /nfs/dbraw/zinc/31/53/92/134315392.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 2 1 242.363 0.410 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221703882 134326413 /nfs/dbraw/zinc/32/64/13/134326413.db2.gz LKBZZMOWLUCHEL-AXFHLTTASA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221703882 134326414 /nfs/dbraw/zinc/32/64/14/134326414.db2.gz LKBZZMOWLUCHEL-AXFHLTTASA-N 2 1 200.326 0.830 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223956095 134343735 /nfs/dbraw/zinc/34/37/35/134343735.db2.gz NXTQIZIAUYVSGG-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223956095 134343736 /nfs/dbraw/zinc/34/37/36/134343736.db2.gz NXTQIZIAUYVSGG-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182337582 134344058 /nfs/dbraw/zinc/34/40/58/134344058.db2.gz CCGDZFOOOKSKRW-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394010 134365103 /nfs/dbraw/zinc/36/51/03/134365103.db2.gz JWGDVBQMOXBLPV-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@H](C)[NH3+] ZINC000226407739 134365487 /nfs/dbraw/zinc/36/54/87/134365487.db2.gz JFKNWVSGTYPDBD-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248589837 135016181 /nfs/dbraw/zinc/01/61/81/135016181.db2.gz YZAFMBYKOWIVKU-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248589837 135016182 /nfs/dbraw/zinc/01/61/82/135016182.db2.gz YZAFMBYKOWIVKU-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250705314 135058177 /nfs/dbraw/zinc/05/81/77/135058177.db2.gz BSGAODQXEMSEMI-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250705314 135058179 /nfs/dbraw/zinc/05/81/79/135058179.db2.gz BSGAODQXEMSEMI-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250863826 135060456 /nfs/dbraw/zinc/06/04/56/135060456.db2.gz QWEZVVVHHNEXEP-WDEREUQCSA-N 2 1 225.336 0.468 20 0 BCADMP C[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251072335 135062030 /nfs/dbraw/zinc/06/20/30/135062030.db2.gz FSORNWBJNQZQAA-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000251855520 135079355 /nfs/dbraw/zinc/07/93/55/135079355.db2.gz RXUIICOHDKVPIY-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000251855519 135079392 /nfs/dbraw/zinc/07/93/92/135079392.db2.gz RXUIICOHDKVPIY-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000086435396 135084769 /nfs/dbraw/zinc/08/47/69/135084769.db2.gz XBWWJGXWBZTPHJ-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252177694 135085490 /nfs/dbraw/zinc/08/54/90/135085490.db2.gz SIHOOBDCXLALAL-AEJSXWLSSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000252447640 135089374 /nfs/dbraw/zinc/08/93/74/135089374.db2.gz NCIBPKFXBZASDC-WYUUTHIRSA-N 2 1 239.363 0.583 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637604 135091453 /nfs/dbraw/zinc/09/14/53/135091453.db2.gz LZEZANKEDGITEL-SNVBAGLBSA-N 2 1 200.326 0.940 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000252682206 135095710 /nfs/dbraw/zinc/09/57/10/135095710.db2.gz BQVNWMZWEVQBEB-MNOVXSKESA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000252682206 135095712 /nfs/dbraw/zinc/09/57/12/135095712.db2.gz BQVNWMZWEVQBEB-MNOVXSKESA-N 2 1 229.368 0.768 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000086886084 135100363 /nfs/dbraw/zinc/10/03/63/135100363.db2.gz HYGBVRCOYQCZPR-MNOVXSKESA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714824 135101553 /nfs/dbraw/zinc/10/15/53/135101553.db2.gz TUTPJNIVOOPGBE-IJLUTSLNSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000252714824 135101555 /nfs/dbraw/zinc/10/15/55/135101555.db2.gz TUTPJNIVOOPGBE-IJLUTSLNSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000252714824 135101556 /nfs/dbraw/zinc/10/15/56/135101556.db2.gz TUTPJNIVOOPGBE-IJLUTSLNSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122838 135107037 /nfs/dbraw/zinc/10/70/37/135107037.db2.gz OKPHKCMGMURQFE-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252781612 135109636 /nfs/dbraw/zinc/10/96/36/135109636.db2.gz RKCMJLMYYJVBQO-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252781612 135109638 /nfs/dbraw/zinc/10/96/38/135109638.db2.gz RKCMJLMYYJVBQO-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c(N(C)C)n1 ZINC000261568862 135110445 /nfs/dbraw/zinc/11/04/45/135110445.db2.gz FWNPFTHIIXBXNG-IUCAKERBSA-N 2 1 221.308 0.469 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000261772781 135110868 /nfs/dbraw/zinc/11/08/68/135110868.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 2 1 223.364 0.479 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC000252841123 135112863 /nfs/dbraw/zinc/11/28/63/135112863.db2.gz AJVJCGCVTHIMMM-GRYCIOLGSA-N 2 1 221.304 0.586 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000253164500 135123055 /nfs/dbraw/zinc/12/30/55/135123055.db2.gz XYXOEGTZQLSLSI-MNOVXSKESA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000253164500 135123056 /nfs/dbraw/zinc/12/30/56/135123056.db2.gz XYXOEGTZQLSLSI-MNOVXSKESA-N 2 1 214.309 0.073 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000253192684 135123773 /nfs/dbraw/zinc/12/37/73/135123773.db2.gz NNJDPDCFIGBVHE-GRYCIOLGSA-N 2 1 212.337 0.940 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000253192686 135123852 /nfs/dbraw/zinc/12/38/52/135123852.db2.gz NNJDPDCFIGBVHE-UTUOFQBUSA-N 2 1 212.337 0.940 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC[NH3+])C[C@H](C)O1 ZINC000263086732 135124392 /nfs/dbraw/zinc/12/43/92/135124392.db2.gz XZOBSYCBVPBJNT-XQQFMLRXSA-N 2 1 241.379 0.519 20 0 BCADMP COc1ccc(CC[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000259170826 135137682 /nfs/dbraw/zinc/13/76/82/135137682.db2.gz VUJRGIAWKFUUJK-LBPRGKRZSA-N 2 1 238.331 0.489 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257784902 135141964 /nfs/dbraw/zinc/14/19/64/135141964.db2.gz LHIIHNZMRSXOFE-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000260219629 135147752 /nfs/dbraw/zinc/14/77/52/135147752.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000260219629 135147754 /nfs/dbraw/zinc/14/77/54/135147754.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000260219629 135147755 /nfs/dbraw/zinc/14/77/55/135147755.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000260382368 135148768 /nfs/dbraw/zinc/14/87/68/135148768.db2.gz OBRZBDQURZGDTN-LLVKDONJSA-N 2 1 228.336 0.966 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261545706 135150423 /nfs/dbraw/zinc/15/04/23/135150423.db2.gz KERXZRKXILKGAW-SCZZXKLOSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@H](C)[NH3+] ZINC000261536563 135171961 /nfs/dbraw/zinc/17/19/61/135171961.db2.gz SDJOGFZMHCMNMW-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000261536439 135172203 /nfs/dbraw/zinc/17/22/03/135172203.db2.gz RRZFDEVGTSQRCT-VIFPVBQESA-N 2 1 214.309 0.527 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000261536828 135173170 /nfs/dbraw/zinc/17/31/70/135173170.db2.gz TWKJCGDIAOIBMA-LPEHRKFASA-N 2 1 213.325 0.180 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537701 135174248 /nfs/dbraw/zinc/17/42/48/135174248.db2.gz WENUDZNARJNPJO-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537941 135174329 /nfs/dbraw/zinc/17/43/29/135174329.db2.gz WUZKQMVGIWWQBO-NEPJUHHUSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537944 135175098 /nfs/dbraw/zinc/17/50/98/135175098.db2.gz WUZKQMVGIWWQBO-VXGBXAGGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541098 135180941 /nfs/dbraw/zinc/18/09/41/135180941.db2.gz FNCPZKSOUQIKRX-WDEREUQCSA-N 2 1 210.321 0.443 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261544293 135185543 /nfs/dbraw/zinc/18/55/43/135185543.db2.gz DQGICAKZVHHAMY-QWHCGFSZSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261544293 135185544 /nfs/dbraw/zinc/18/55/44/135185544.db2.gz DQGICAKZVHHAMY-QWHCGFSZSA-N 2 1 234.347 0.646 20 0 BCADMP CCOc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000259206793 135186727 /nfs/dbraw/zinc/18/67/27/135186727.db2.gz XBUNQXYKONVMMA-LBPRGKRZSA-N 2 1 238.331 0.837 20 0 BCADMP CCOc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000259206793 135186729 /nfs/dbraw/zinc/18/67/29/135186729.db2.gz XBUNQXYKONVMMA-LBPRGKRZSA-N 2 1 238.331 0.837 20 0 BCADMP O[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557285 135197643 /nfs/dbraw/zinc/19/76/43/135197643.db2.gz XEIDBYMALKXECZ-MNOVXSKESA-N 2 1 210.321 0.443 20 0 BCADMP O[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557289 135197795 /nfs/dbraw/zinc/19/77/95/135197795.db2.gz XEIDBYMALKXECZ-WDEREUQCSA-N 2 1 210.321 0.443 20 0 BCADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000261561095 135201745 /nfs/dbraw/zinc/20/17/45/135201745.db2.gz VBWSJBQKMXMJOC-QQOHENMQSA-N 2 1 236.359 0.687 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC000261562890 135204020 /nfs/dbraw/zinc/20/40/20/135204020.db2.gz WQPNTQAQJBQSGB-SDDRHHMPSA-N 2 1 235.335 0.337 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000261562887 135204404 /nfs/dbraw/zinc/20/44/04/135204404.db2.gz WQPNTQAQJBQSGB-QJPTWQEYSA-N 2 1 235.335 0.337 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000261564172 135205765 /nfs/dbraw/zinc/20/57/65/135205765.db2.gz CIPONYBJCYJONS-NSHDSACASA-N 3 1 215.341 0.165 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C1([NH3+])CCCC1 ZINC000261565438 135208000 /nfs/dbraw/zinc/20/80/00/135208000.db2.gz YJTZEAHICBERBZ-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CC1(C)C[N@@H+](CCn2ccnc2)C[C@@H](CO)O1 ZINC000163846898 135208352 /nfs/dbraw/zinc/20/83/52/135208352.db2.gz PSUZJTLLFMJKIB-NSHDSACASA-N 2 1 239.319 0.355 20 0 BCADMP CC1(C)CN(CCn2ccnc2)C[C@@H](CO)O1 ZINC000163846898 135208354 /nfs/dbraw/zinc/20/83/54/135208354.db2.gz PSUZJTLLFMJKIB-NSHDSACASA-N 2 1 239.319 0.355 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261572845 135215127 /nfs/dbraw/zinc/21/51/27/135215127.db2.gz IKDNKKKHSBVPRJ-NSHDSACASA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261572845 135215129 /nfs/dbraw/zinc/21/51/29/135215129.db2.gz IKDNKKKHSBVPRJ-NSHDSACASA-N 2 1 214.309 0.609 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000084381605 135215793 /nfs/dbraw/zinc/21/57/93/135215793.db2.gz GANFJMQJQBQTAK-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP [NH3+]CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000261575489 135216880 /nfs/dbraw/zinc/21/68/80/135216880.db2.gz JUQDZWCOIIMLGX-WCQYABFASA-N 2 1 223.364 0.894 20 0 BCADMP C[N@H+](CCOCC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000261579642 135220382 /nfs/dbraw/zinc/22/03/82/135220382.db2.gz MLLUCPKMYPASPX-VIFPVBQESA-N 2 1 222.279 0.937 20 0 BCADMP C[N@@H+](CCOCC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000261579642 135220383 /nfs/dbraw/zinc/22/03/83/135220383.db2.gz MLLUCPKMYPASPX-VIFPVBQESA-N 2 1 222.279 0.937 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261579919 135221023 /nfs/dbraw/zinc/22/10/23/135221023.db2.gz MPAZFMQXVMWHHX-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261582307 135223696 /nfs/dbraw/zinc/22/36/96/135223696.db2.gz ODEPKXAVMYKBBS-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261582307 135223698 /nfs/dbraw/zinc/22/36/98/135223698.db2.gz ODEPKXAVMYKBBS-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(CC(C)(C)[NH3+])[C@@H]2C1 ZINC000261585453 135226855 /nfs/dbraw/zinc/22/68/55/135226855.db2.gz QJHVIEUNCJXKAU-WDEREUQCSA-N 2 1 211.353 0.750 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000261592425 135232604 /nfs/dbraw/zinc/23/26/04/135232604.db2.gz VVUKEFOLDOZEJX-SECBINFHSA-N 2 1 222.279 0.939 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000261592425 135232606 /nfs/dbraw/zinc/23/26/06/135232606.db2.gz VVUKEFOLDOZEJX-SECBINFHSA-N 2 1 222.279 0.939 20 0 BCADMP C(C1CCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261594284 135234598 /nfs/dbraw/zinc/23/45/98/135234598.db2.gz XKYULKBNKMTQNW-ZDUSSCGKSA-N 2 1 223.364 0.766 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594967 135234933 /nfs/dbraw/zinc/23/49/33/135234933.db2.gz XWKAYKPPLMMOSQ-HBNTYKKESA-N 3 1 211.353 0.783 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594967 135234936 /nfs/dbraw/zinc/23/49/36/135234936.db2.gz XWKAYKPPLMMOSQ-HBNTYKKESA-N 3 1 211.353 0.783 20 0 BCADMP CCC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000261599130 135237815 /nfs/dbraw/zinc/23/78/15/135237815.db2.gz ATUNUFHETYLTRZ-TXEJJXNPSA-N 2 1 241.379 0.975 20 0 BCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164404351 135242516 /nfs/dbraw/zinc/24/25/16/135242516.db2.gz FKBXAKMHBWTDCR-AXFHLTTASA-N 2 1 225.336 0.134 20 0 BCADMP NC(=[NH2+])NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000261668085 135244928 /nfs/dbraw/zinc/24/49/28/135244928.db2.gz JYJZOLCXWVTLBI-RYUDHWBXSA-N 2 1 248.330 0.105 20 0 BCADMP NC(=[NH2+])NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000261668085 135244929 /nfs/dbraw/zinc/24/49/29/135244929.db2.gz JYJZOLCXWVTLBI-RYUDHWBXSA-N 2 1 248.330 0.105 20 0 BCADMP C[C@]1(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)CC[NH2+]C1 ZINC000261742011 135249275 /nfs/dbraw/zinc/24/92/75/135249275.db2.gz IMRXBEGYBZRGSJ-ZDUSSCGKSA-N 2 1 248.330 0.128 20 0 BCADMP C[C@]1(C[N@H+]2CCc3n[nH]c(=O)cc3C2)CC[NH2+]C1 ZINC000261742011 135249277 /nfs/dbraw/zinc/24/92/77/135249277.db2.gz IMRXBEGYBZRGSJ-ZDUSSCGKSA-N 2 1 248.330 0.128 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751543 135250084 /nfs/dbraw/zinc/25/00/84/135250084.db2.gz CGINDCVJXNTSAR-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751543 135250085 /nfs/dbraw/zinc/25/00/85/135250085.db2.gz CGINDCVJXNTSAR-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763306 135250685 /nfs/dbraw/zinc/25/06/85/135250685.db2.gz RJWZCSDWSCFEJG-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000261760753 135250700 /nfs/dbraw/zinc/25/07/00/135250700.db2.gz CXYOBFIZMNUUKN-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[NH3+] ZINC000261782403 135252215 /nfs/dbraw/zinc/25/22/15/135252215.db2.gz JQIOJXDBYKOFOP-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261798773 135253668 /nfs/dbraw/zinc/25/36/68/135253668.db2.gz OAEVIGOCPYZGOG-AAEUAGOBSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261798773 135253669 /nfs/dbraw/zinc/25/36/69/135253669.db2.gz OAEVIGOCPYZGOG-AAEUAGOBSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000261852170 135256790 /nfs/dbraw/zinc/25/67/90/135256790.db2.gz OVLWCLIQVQONAC-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CCOCCOCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261878434 135259223 /nfs/dbraw/zinc/25/92/23/135259223.db2.gz QKAKMQAMKNEUEP-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880732 135260389 /nfs/dbraw/zinc/26/03/89/135260389.db2.gz QVNVSAPOYJOOKP-CHWSQXEVSA-N 2 1 237.347 0.198 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261919915 135262503 /nfs/dbraw/zinc/26/25/03/135262503.db2.gz YSKBTRXAVGQSMV-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261937028 135264283 /nfs/dbraw/zinc/26/42/83/135264283.db2.gz MGLZHRCJFYTOHM-VXGBXAGGSA-N 2 1 244.404 0.786 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005271 135271214 /nfs/dbraw/zinc/27/12/14/135271214.db2.gz LSEWAZVWZQDMLY-CMPLNLGQSA-N 2 1 226.320 0.481 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261999384 135271750 /nfs/dbraw/zinc/27/17/50/135271750.db2.gz LELBTJJVJWJBKL-JQWIXIFHSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1C[NH2+]C1 ZINC000262034104 135274766 /nfs/dbraw/zinc/27/47/66/135274766.db2.gz PPMFERHAJHLDKB-AOOOYVTPSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@]1(C[N@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064593 135277185 /nfs/dbraw/zinc/27/71/85/135277185.db2.gz RMLDTVJZYZRGLP-WCQYABFASA-N 2 1 239.363 0.716 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262070838 135277299 /nfs/dbraw/zinc/27/72/99/135277299.db2.gz SLAINNHHSXYAIS-GFCCVEGCSA-N 2 1 227.352 0.526 20 0 BCADMP Cn1cncc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262097103 135278782 /nfs/dbraw/zinc/27/87/82/135278782.db2.gz VHISOSBLJOXFIG-UHFFFAOYSA-N 2 1 234.347 0.996 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262225919 135285933 /nfs/dbraw/zinc/28/59/33/135285933.db2.gz NGKIASCYHIYZGD-GFCCVEGCSA-N 2 1 244.404 0.786 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000262324771 135292717 /nfs/dbraw/zinc/29/27/17/135292717.db2.gz FWHXGBFGIWBELH-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000262324768 135292954 /nfs/dbraw/zinc/29/29/54/135292954.db2.gz FWHXGBFGIWBELH-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262321669 135293334 /nfs/dbraw/zinc/29/33/34/135293334.db2.gz FGSYRPWUKLAPDE-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)C[NH3+] ZINC000262322743 135293353 /nfs/dbraw/zinc/29/33/53/135293353.db2.gz FKAISXKLTYXEDR-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262351567 135294800 /nfs/dbraw/zinc/29/48/00/135294800.db2.gz JCXNJZCCOBCGFU-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000262394734 135298984 /nfs/dbraw/zinc/29/89/84/135298984.db2.gz OSIOCCSSRVXYOR-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000262384002 135299012 /nfs/dbraw/zinc/29/90/12/135299012.db2.gz NGBPQSCLAKEBHU-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596316 135301186 /nfs/dbraw/zinc/30/11/86/135301186.db2.gz SCBALBYPHXCTLF-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582698 135307149 /nfs/dbraw/zinc/30/71/49/135307149.db2.gz QMJSPNDDDIDYFR-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC[NH3+] ZINC000263299482 135345231 /nfs/dbraw/zinc/34/52/31/135345231.db2.gz YYUZBYGLQPNPIQ-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293781 135345446 /nfs/dbraw/zinc/34/54/46/135345446.db2.gz MAJMXLGDRTYKQN-VXGBXAGGSA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081000485 135385951 /nfs/dbraw/zinc/38/59/51/135385951.db2.gz MULXAGHXFGVOBY-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000347647281 136000209 /nfs/dbraw/zinc/00/02/09/136000209.db2.gz FSRZXSOURPSSNK-PWSUYJOCSA-N 2 1 235.331 0.753 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH+](CC2CC2)CC1 ZINC000347749709 136011228 /nfs/dbraw/zinc/01/12/28/136011228.db2.gz HCGVNYFMKLEWFB-UHFFFAOYSA-N 2 1 248.374 0.990 20 0 BCADMP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000335307272 136027307 /nfs/dbraw/zinc/02/73/07/136027307.db2.gz WHOWBGBRJVIOBG-VHSXEESVSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000335329714 136053441 /nfs/dbraw/zinc/05/34/41/136053441.db2.gz IBMRCGLMDNHEMC-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000335329714 136053442 /nfs/dbraw/zinc/05/34/42/136053442.db2.gz IBMRCGLMDNHEMC-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341499 136064246 /nfs/dbraw/zinc/06/42/46/136064246.db2.gz KHZZQIDVKVADGV-MWLCHTKSSA-N 2 1 231.315 0.274 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341500 136064266 /nfs/dbraw/zinc/06/42/66/136064266.db2.gz KHZZQIDVKVADGV-ONGXEEELSA-N 2 1 231.315 0.274 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000335350701 136068890 /nfs/dbraw/zinc/06/88/90/136068890.db2.gz QYGBGPIKBRPKRA-TXEJJXNPSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000335350701 136068891 /nfs/dbraw/zinc/06/88/91/136068891.db2.gz QYGBGPIKBRPKRA-TXEJJXNPSA-N 2 1 239.363 0.633 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397745 136092891 /nfs/dbraw/zinc/09/28/91/136092891.db2.gz WURHIUAZDDAFPG-QWRGUYRKSA-N 2 1 225.336 0.054 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554046 136098823 /nfs/dbraw/zinc/09/88/23/136098823.db2.gz AGXRNHOPAMAFPI-GXSJLCMTSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)C[N@H+]1C1CC1 ZINC000335562881 136106583 /nfs/dbraw/zinc/10/65/83/136106583.db2.gz ZNJYGAMVZVBJCL-ZJUUUORDSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000649547237 397938761 /nfs/dbraw/zinc/93/87/61/397938761.db2.gz OSUMAJUVCBMLAK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000649547237 397938763 /nfs/dbraw/zinc/93/87/63/397938763.db2.gz OSUMAJUVCBMLAK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547237 397938764 /nfs/dbraw/zinc/93/87/64/397938764.db2.gz OSUMAJUVCBMLAK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547237 397938766 /nfs/dbraw/zinc/93/87/66/397938766.db2.gz OSUMAJUVCBMLAK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000054132995 397903850 /nfs/dbraw/zinc/90/38/50/397903850.db2.gz VJZRLXNCIHDNFJ-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP [NH3+]Cc1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000650229048 397998272 /nfs/dbraw/zinc/99/82/72/397998272.db2.gz NVAZWHBYOXPMHQ-SFYZADRCSA-N 2 1 208.265 0.731 20 0 BCADMP Cc1cnn(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000303029874 398005769 /nfs/dbraw/zinc/00/57/69/398005769.db2.gz RORMBYQLCGCJSJ-TXEJJXNPSA-N 2 1 220.320 0.343 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953141 398009546 /nfs/dbraw/zinc/00/95/46/398009546.db2.gz DJZJXIBPBUQKTM-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000373116479 398013738 /nfs/dbraw/zinc/01/37/38/398013738.db2.gz WLTQUWLJZJOMGF-LLVKDONJSA-N 2 1 223.320 0.982 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)C1 ZINC000383687775 398034761 /nfs/dbraw/zinc/03/47/61/398034761.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000383687775 398034765 /nfs/dbraw/zinc/03/47/65/398034765.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000383687775 398034766 /nfs/dbraw/zinc/03/47/66/398034766.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688160 398036365 /nfs/dbraw/zinc/03/63/65/398036365.db2.gz TUCCUZGZEGIZMM-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP CC(C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688160 398036368 /nfs/dbraw/zinc/03/63/68/398036368.db2.gz TUCCUZGZEGIZMM-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP COC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000594556860 397975593 /nfs/dbraw/zinc/97/55/93/397975593.db2.gz UDOXTYFQLIFTHF-WCQGTBRESA-N 2 1 240.347 0.868 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000365049029 397987195 /nfs/dbraw/zinc/98/71/95/397987195.db2.gz RQXWERDHLXSZDF-ZYHUDNBSSA-N 2 1 245.342 0.535 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649744831 398082849 /nfs/dbraw/zinc/08/28/49/398082849.db2.gz OWGQKZXPQYEZCO-RWMBFGLXSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000649744831 398082851 /nfs/dbraw/zinc/08/28/51/398082851.db2.gz OWGQKZXPQYEZCO-RWMBFGLXSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000649744831 398082854 /nfs/dbraw/zinc/08/28/54/398082854.db2.gz OWGQKZXPQYEZCO-RWMBFGLXSA-N 2 1 242.363 0.552 20 0 BCADMP C[C@H](c1ccncc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000383992565 398054688 /nfs/dbraw/zinc/05/46/88/398054688.db2.gz UZUXNBUPIUIXIQ-KOLCDFICSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000383992565 398054691 /nfs/dbraw/zinc/05/46/91/398054691.db2.gz UZUXNBUPIUIXIQ-KOLCDFICSA-N 2 1 209.293 0.394 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626433 167052426 /nfs/dbraw/zinc/05/24/26/167052426.db2.gz OHXPZJZEEVYDCJ-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)NC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036781566 167059087 /nfs/dbraw/zinc/05/90/87/167059087.db2.gz RTNUEIHXIWVZDA-YOGCLGLASA-N 2 1 239.363 0.726 20 0 BCADMP CC(C)NC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036781566 167059090 /nfs/dbraw/zinc/05/90/90/167059090.db2.gz RTNUEIHXIWVZDA-YOGCLGLASA-N 2 1 239.363 0.726 20 0 BCADMP COCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843401 174279374 /nfs/dbraw/zinc/27/93/74/174279374.db2.gz BEHAAHPIYSPHMX-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246305 487536019 /nfs/dbraw/zinc/53/60/19/487536019.db2.gz IUFGHPSDVPTTTF-QWRGUYRKSA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H]1C[C@@H](C)N1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685580563 487558130 /nfs/dbraw/zinc/55/81/30/487558130.db2.gz RLXWSMMBSFLWLW-FOGDFJRCSA-N 2 1 212.337 0.924 20 0 BCADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)CN(C)C1CC1 ZINC000685580563 487558136 /nfs/dbraw/zinc/55/81/36/487558136.db2.gz RLXWSMMBSFLWLW-FOGDFJRCSA-N 2 1 212.337 0.924 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000086853327 487566357 /nfs/dbraw/zinc/56/63/57/487566357.db2.gz WJQNFPYQBHHQDK-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000086853555 487567706 /nfs/dbraw/zinc/56/77/06/487567706.db2.gz WURSRYMMGRGABW-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000238208778 487570091 /nfs/dbraw/zinc/57/00/91/487570091.db2.gz ISZAZYDTLREEDA-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000393280284 487570631 /nfs/dbraw/zinc/57/06/31/487570631.db2.gz QCERRVCTTNCPTC-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420033 487575474 /nfs/dbraw/zinc/57/54/74/487575474.db2.gz HTDPBCRYAVTQOE-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420033 487575478 /nfs/dbraw/zinc/57/54/78/487575478.db2.gz HTDPBCRYAVTQOE-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000324375470 487587271 /nfs/dbraw/zinc/58/72/71/487587271.db2.gz YDWKAMMKQYIQFI-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000324375470 487587276 /nfs/dbraw/zinc/58/72/76/487587276.db2.gz YDWKAMMKQYIQFI-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000393850323 487587213 /nfs/dbraw/zinc/58/72/13/487587213.db2.gz QYCQDJVJRQWUFC-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000393850323 487587219 /nfs/dbraw/zinc/58/72/19/487587219.db2.gz QYCQDJVJRQWUFC-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000393850323 487587227 /nfs/dbraw/zinc/58/72/27/487587227.db2.gz QYCQDJVJRQWUFC-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000669391381 487596730 /nfs/dbraw/zinc/59/67/30/487596730.db2.gz WAFGWGLJHZSWLW-GARJFASQSA-N 2 1 240.351 0.260 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000655245856 487603448 /nfs/dbraw/zinc/60/34/48/487603448.db2.gz ZDIJGLIQTWEHTP-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1CC(C)(C)C1 ZINC000309762545 487609073 /nfs/dbraw/zinc/60/90/73/487609073.db2.gz FBYXKDJYBFEVGC-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266328 409565568 /nfs/dbraw/zinc/56/55/68/409565568.db2.gz LZKVBSZIELGXRV-TUAOUCFPSA-N 3 1 239.363 0.177 20 0 BCADMP CN1CCC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000662269830 409573926 /nfs/dbraw/zinc/57/39/26/409573926.db2.gz FSOZRSHAAKAXEF-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000662277214 409590581 /nfs/dbraw/zinc/59/05/81/409590581.db2.gz NHELYNMRTXRVDH-RYUDHWBXSA-N 2 1 230.352 0.443 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000662277208 409591325 /nfs/dbraw/zinc/59/13/25/409591325.db2.gz NHELYNMRTXRVDH-NEPJUHHUSA-N 2 1 230.352 0.443 20 0 BCADMP CO[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280696 409600112 /nfs/dbraw/zinc/60/01/12/409600112.db2.gz GYZWQTCKIMLPQY-QWHCGFSZSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]1C[N@H+](CCN2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662326719 409641023 /nfs/dbraw/zinc/64/10/23/409641023.db2.gz ZOSREIOUZOJGTA-QJPTWQEYSA-N 2 1 245.342 0.078 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662326719 409641033 /nfs/dbraw/zinc/64/10/33/409641033.db2.gz ZOSREIOUZOJGTA-QJPTWQEYSA-N 2 1 245.342 0.078 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662513938 409741426 /nfs/dbraw/zinc/74/14/26/409741426.db2.gz HKGRBBWGYGIMEH-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662680082 409828802 /nfs/dbraw/zinc/82/88/02/409828802.db2.gz FEKOSWKYMGUJGW-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CC(F)(F)C[NH3+] ZINC000653126980 409835782 /nfs/dbraw/zinc/83/57/82/409835782.db2.gz RMZKYWZHDHUVJJ-JGVFFNPUSA-N 2 1 235.278 0.166 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653130924 409846728 /nfs/dbraw/zinc/84/67/28/409846728.db2.gz MMUNNKJOICEVSR-MRVPVSSYSA-N 2 1 235.278 0.086 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000653132570 409849478 /nfs/dbraw/zinc/84/94/78/409849478.db2.gz LTXCOSWUANGNMP-QMMMGPOBSA-N 2 1 235.278 0.229 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000653132569 409850910 /nfs/dbraw/zinc/85/09/10/409850910.db2.gz LTXCOSWUANGNMP-MRVPVSSYSA-N 2 1 235.278 0.229 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623647 409795434 /nfs/dbraw/zinc/79/54/34/409795434.db2.gz ZOAARWSOHPGVHG-QWRGUYRKSA-N 2 1 241.379 0.959 20 0 BCADMP [NH3+]C1(CNC(=O)[C@@H]2CSC[NH2+]2)CCCC1 ZINC000662863493 409957507 /nfs/dbraw/zinc/95/75/07/409957507.db2.gz RLDXAGPWXGOHFZ-QMMMGPOBSA-N 2 1 229.349 0.037 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000662839407 409948549 /nfs/dbraw/zinc/94/85/49/409948549.db2.gz QNXLPZNDGAFTQC-MNOVXSKESA-N 2 1 237.347 0.611 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653175875 410151910 /nfs/dbraw/zinc/15/19/10/410151910.db2.gz DVODDYQVDUCKMG-LBPRGKRZSA-N 2 1 243.395 0.936 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653175874 410153088 /nfs/dbraw/zinc/15/30/88/410153088.db2.gz DVODDYQVDUCKMG-GFCCVEGCSA-N 2 1 243.395 0.936 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653220570 410169962 /nfs/dbraw/zinc/16/99/62/410169962.db2.gz NBQRMEBUISFCDV-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CCO[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713947 410345205 /nfs/dbraw/zinc/34/52/05/410345205.db2.gz KONISXRSJUCRLH-UPJWGTAASA-N 3 1 241.379 0.282 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713947 410345211 /nfs/dbraw/zinc/34/52/11/410345211.db2.gz KONISXRSJUCRLH-UPJWGTAASA-N 3 1 241.379 0.282 20 0 BCADMP CCO[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713946 410345320 /nfs/dbraw/zinc/34/53/20/410345320.db2.gz KONISXRSJUCRLH-JHJVBQTASA-N 3 1 241.379 0.282 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713946 410345327 /nfs/dbraw/zinc/34/53/27/410345327.db2.gz KONISXRSJUCRLH-JHJVBQTASA-N 3 1 241.379 0.282 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H](CO)C1CCC1 ZINC000661154738 410309087 /nfs/dbraw/zinc/30/90/87/410309087.db2.gz QPRJBYIRQGDTQB-GFCCVEGCSA-N 2 1 223.320 0.713 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000650743661 410377143 /nfs/dbraw/zinc/37/71/43/410377143.db2.gz YLSQZOOGABVXDW-ZNSHCXBVSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761729 410409619 /nfs/dbraw/zinc/40/96/19/410409619.db2.gz IQGAYQZLOFWUIV-YPMHNXCESA-N 3 1 225.380 0.964 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761727 410410160 /nfs/dbraw/zinc/41/01/60/410410160.db2.gz IQGAYQZLOFWUIV-DGCLKSJQSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nc1 ZINC000653279926 410631409 /nfs/dbraw/zinc/63/14/09/410631409.db2.gz LKRSLJGUQVUCEE-ONGXEEELSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)nc1 ZINC000653279926 410631414 /nfs/dbraw/zinc/63/14/14/410631414.db2.gz LKRSLJGUQVUCEE-ONGXEEELSA-N 2 1 220.320 0.806 20 0 BCADMP COC[C@@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000308507504 410719148 /nfs/dbraw/zinc/71/91/48/410719148.db2.gz JJFWIWVZKVLEHY-JTQLQIEISA-N 2 1 204.314 0.176 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000665280682 410757435 /nfs/dbraw/zinc/75/74/35/410757435.db2.gz IZNGVUVYHKCFID-UTUOFQBUSA-N 2 1 213.369 0.900 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000665280682 410757440 /nfs/dbraw/zinc/75/74/40/410757440.db2.gz IZNGVUVYHKCFID-UTUOFQBUSA-N 2 1 213.369 0.900 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665296008 410802277 /nfs/dbraw/zinc/80/22/77/410802277.db2.gz LOPVFVJKXHEIOW-QJPTWQEYSA-N 2 1 211.353 0.811 20 0 BCADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741190 410895747 /nfs/dbraw/zinc/89/57/47/410895747.db2.gz QJRXPOUXGTZISJ-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332697883 167033938 /nfs/dbraw/zinc/03/39/38/167033938.db2.gz LSOCAKSKBHCTGH-VWYCJHECSA-N 2 1 225.336 0.465 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334997838 167054202 /nfs/dbraw/zinc/05/42/02/167054202.db2.gz FZYNKQNBDASTFZ-TXEJJXNPSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127811369 167060707 /nfs/dbraw/zinc/06/07/07/167060707.db2.gz BSGAODQXEMSEMI-NWDGAFQWSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127811369 167060709 /nfs/dbraw/zinc/06/07/09/167060709.db2.gz BSGAODQXEMSEMI-NWDGAFQWSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673738 167096665 /nfs/dbraw/zinc/09/66/65/167096665.db2.gz BFAGBJIXJLNVNW-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000037477189 167097295 /nfs/dbraw/zinc/09/72/95/167097295.db2.gz JZEWMOYOALQWAF-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378761 167097560 /nfs/dbraw/zinc/09/75/60/167097560.db2.gz HALPUBVATXZPME-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673737 167098140 /nfs/dbraw/zinc/09/81/40/167098140.db2.gz BFAGBJIXJLNVNW-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[NH2+]CCN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062973826 167104744 /nfs/dbraw/zinc/10/47/44/167104744.db2.gz YPRAOXLJOARVAJ-CYBMUJFWSA-N 2 1 241.379 0.391 20 0 BCADMP CC(C)OC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336735641 167265680 /nfs/dbraw/zinc/26/56/80/167265680.db2.gz IGIUQLLYBXJURL-RYUDHWBXSA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298649 167369636 /nfs/dbraw/zinc/36/96/36/167369636.db2.gz RQEXRGACHBXIFG-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308512111 167381717 /nfs/dbraw/zinc/38/17/17/167381717.db2.gz LJICAFWXPROJDH-GHMZBOCLSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308512111 167381719 /nfs/dbraw/zinc/38/17/19/167381719.db2.gz LJICAFWXPROJDH-GHMZBOCLSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646773 410971964 /nfs/dbraw/zinc/97/19/64/410971964.db2.gz QRYQIQLJVCXZHQ-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000398989299 411006467 /nfs/dbraw/zinc/00/64/67/411006467.db2.gz JHAQOOQHIFGQFE-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000398989301 411007217 /nfs/dbraw/zinc/00/72/17/411007217.db2.gz JHAQOOQHIFGQFE-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661623331 411077932 /nfs/dbraw/zinc/07/79/32/411077932.db2.gz ZMKMYSIGPSKWHS-UTUOFQBUSA-N 2 1 244.379 0.248 20 0 BCADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000652025228 411080352 /nfs/dbraw/zinc/08/03/52/411080352.db2.gz WTEHPTSLSAXHIF-WOPDTQHZSA-N 2 1 230.327 0.923 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000044763180 411139833 /nfs/dbraw/zinc/13/98/33/411139833.db2.gz MVKSXMILHJRHNR-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000647709833 411146694 /nfs/dbraw/zinc/14/66/94/411146694.db2.gz QOKUZHYTTKTRNP-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP COCCN(C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000653650437 411157746 /nfs/dbraw/zinc/15/77/46/411157746.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H]1C ZINC000653650437 411157749 /nfs/dbraw/zinc/15/77/49/411157749.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](C)C[C@@H]1C ZINC000653650437 411157752 /nfs/dbraw/zinc/15/77/52/411157752.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659989749 411158567 /nfs/dbraw/zinc/15/85/67/411158567.db2.gz SGNCOTIWOFHRRU-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659989749 411158572 /nfs/dbraw/zinc/15/85/72/411158572.db2.gz SGNCOTIWOFHRRU-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659989749 411158574 /nfs/dbraw/zinc/15/85/74/411158574.db2.gz SGNCOTIWOFHRRU-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659989749 411158578 /nfs/dbraw/zinc/15/85/78/411158578.db2.gz SGNCOTIWOFHRRU-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP C[N@H+](CCc1noc2ccccc21)C[C@@H](O)C[NH3+] ZINC000655941102 411160478 /nfs/dbraw/zinc/16/04/78/411160478.db2.gz MEJVMVUPPWNAGZ-JTQLQIEISA-N 2 1 249.314 0.622 20 0 BCADMP C[N@@H+](CCc1noc2ccccc21)C[C@@H](O)C[NH3+] ZINC000655941102 411160479 /nfs/dbraw/zinc/16/04/79/411160479.db2.gz MEJVMVUPPWNAGZ-JTQLQIEISA-N 2 1 249.314 0.622 20 0 BCADMP Cc1noc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000655948850 411161225 /nfs/dbraw/zinc/16/12/25/411161225.db2.gz GKDOOMPIWGPKLA-SNVBAGLBSA-N 2 1 224.308 0.809 20 0 BCADMP Cc1noc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000655948850 411161226 /nfs/dbraw/zinc/16/12/26/411161226.db2.gz GKDOOMPIWGPKLA-SNVBAGLBSA-N 2 1 224.308 0.809 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780121 411169279 /nfs/dbraw/zinc/16/92/79/411169279.db2.gz WLWYKYIGFYMZAW-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780121 411169282 /nfs/dbraw/zinc/16/92/82/411169282.db2.gz WLWYKYIGFYMZAW-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000653780121 411169284 /nfs/dbraw/zinc/16/92/84/411169284.db2.gz WLWYKYIGFYMZAW-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000653780121 411169287 /nfs/dbraw/zinc/16/92/87/411169287.db2.gz WLWYKYIGFYMZAW-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780119 411169595 /nfs/dbraw/zinc/16/95/95/411169595.db2.gz WLWYKYIGFYMZAW-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CCO ZINC000653780119 411169597 /nfs/dbraw/zinc/16/95/97/411169597.db2.gz WLWYKYIGFYMZAW-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CCO ZINC000653780119 411169602 /nfs/dbraw/zinc/16/96/02/411169602.db2.gz WLWYKYIGFYMZAW-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000653780119 411169603 /nfs/dbraw/zinc/16/96/03/411169603.db2.gz WLWYKYIGFYMZAW-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@H](c1cnccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070480047 411170313 /nfs/dbraw/zinc/17/03/13/411170313.db2.gz PJFGQGJJKLIHDT-GFCCVEGCSA-N 2 1 249.362 0.375 20 0 BCADMP C[C@H](c1cnccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070480047 411170315 /nfs/dbraw/zinc/17/03/15/411170315.db2.gz PJFGQGJJKLIHDT-GFCCVEGCSA-N 2 1 249.362 0.375 20 0 BCADMP OCC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401039842 411173661 /nfs/dbraw/zinc/17/36/61/411173661.db2.gz DFFWAIISYVORRM-KXUCPTDWSA-N 2 1 234.290 0.592 20 0 BCADMP OCC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401039845 411174877 /nfs/dbraw/zinc/17/48/77/411174877.db2.gz DFFWAIISYVORRM-OPRDCNLKSA-N 2 1 234.290 0.592 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657940753 411175104 /nfs/dbraw/zinc/17/51/04/411175104.db2.gz MQAJGLTVPSPSFR-NSHDSACASA-N 2 1 235.335 0.518 20 0 BCADMP C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652244705 411179741 /nfs/dbraw/zinc/17/97/41/411179741.db2.gz NENLMEUEILIQOC-UHFFFAOYSA-N 2 1 240.351 0.072 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC1 ZINC000657973712 411184384 /nfs/dbraw/zinc/18/43/84/411184384.db2.gz HNOTXTODYDCPNL-VXGBXAGGSA-N 2 1 242.363 0.600 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000657973712 411184387 /nfs/dbraw/zinc/18/43/87/411184387.db2.gz HNOTXTODYDCPNL-VXGBXAGGSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657974212 411184991 /nfs/dbraw/zinc/18/49/91/411184991.db2.gz MYOQIMKQZUBQHN-LBPRGKRZSA-N 2 1 248.317 0.730 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657974212 411184992 /nfs/dbraw/zinc/18/49/92/411184992.db2.gz MYOQIMKQZUBQHN-LBPRGKRZSA-N 2 1 248.317 0.730 20 0 BCADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000653833912 411196490 /nfs/dbraw/zinc/19/64/90/411196490.db2.gz RXBIOPUIJKVPPN-GARJFASQSA-N 2 1 225.336 0.099 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656192681 411198539 /nfs/dbraw/zinc/19/85/39/411198539.db2.gz SUICMGKFTOFMRM-USZNOCQGSA-N 3 1 211.353 0.973 20 0 BCADMP C1C[C@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@@H+]2C1 ZINC000310066880 411201608 /nfs/dbraw/zinc/20/16/08/411201608.db2.gz BTELLSHBTBNHKF-YPMHNXCESA-N 2 1 240.347 0.618 20 0 BCADMP C1C[C@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@H+]2C1 ZINC000310066880 411201610 /nfs/dbraw/zinc/20/16/10/411201610.db2.gz BTELLSHBTBNHKF-YPMHNXCESA-N 2 1 240.347 0.618 20 0 BCADMP C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000652338641 411203942 /nfs/dbraw/zinc/20/39/42/411203942.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 2 1 243.395 0.230 20 0 BCADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@](C)(O)C[NH2+]C ZINC000652337104 411203973 /nfs/dbraw/zinc/20/39/73/411203973.db2.gz KAPQFBITQONNRJ-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000652337578 411204412 /nfs/dbraw/zinc/20/44/12/411204412.db2.gz WKZOECWNYJFEQK-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000652337578 411204415 /nfs/dbraw/zinc/20/44/15/411204415.db2.gz WKZOECWNYJFEQK-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CCO[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652337234 411204472 /nfs/dbraw/zinc/20/44/72/411204472.db2.gz XIBLINHYYBRCLO-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(C)(C)OC ZINC000652338552 411204693 /nfs/dbraw/zinc/20/46/93/411204693.db2.gz WCFXQKXCWCYNSC-LLVKDONJSA-N 2 1 218.341 0.314 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000652344352 411208864 /nfs/dbraw/zinc/20/88/64/411208864.db2.gz SRVCPFBUZRUTCY-SRVKXCTJSA-N 2 1 242.388 0.802 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000652344352 411208866 /nfs/dbraw/zinc/20/88/66/411208866.db2.gz SRVCPFBUZRUTCY-SRVKXCTJSA-N 2 1 242.388 0.802 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358538 411215193 /nfs/dbraw/zinc/21/51/93/411215193.db2.gz QDBSICUULLNIIR-NXEZZACHSA-N 2 1 200.326 0.674 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356076 411215554 /nfs/dbraw/zinc/21/55/54/411215554.db2.gz RKFZXDLGNZEMEA-YNEHKIRRSA-N 3 1 241.379 0.282 20 0 BCADMP COCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655684399 411226150 /nfs/dbraw/zinc/22/61/50/411226150.db2.gz RSCRTQOXMWDIHA-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)OC)[C@@H](C)C1 ZINC000655787467 411235845 /nfs/dbraw/zinc/23/58/45/411235845.db2.gz WEKLEHODSRCPKP-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)OC)[C@@H](C)C1 ZINC000655787465 411236124 /nfs/dbraw/zinc/23/61/24/411236124.db2.gz WEKLEHODSRCPKP-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000652418157 411237319 /nfs/dbraw/zinc/23/73/19/411237319.db2.gz UUVXFTNUNBCZME-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000310477352 411238453 /nfs/dbraw/zinc/23/84/53/411238453.db2.gz CBOLPLWELUXRSP-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730594 411240655 /nfs/dbraw/zinc/24/06/55/411240655.db2.gz DNYMCBXLRSWARC-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\CO)[C@H](C)C1 ZINC000658135611 411261268 /nfs/dbraw/zinc/26/12/68/411261268.db2.gz UHAWPVWOXSSODP-JYYSYOFASA-N 2 1 212.337 0.855 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000656457385 411266889 /nfs/dbraw/zinc/26/68/89/411266889.db2.gz VXOJRUDQQZNSRO-UHFFFAOYSA-N 2 1 235.335 0.798 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000656463550 411272131 /nfs/dbraw/zinc/27/21/31/411272131.db2.gz NGDXPOOFXKWXQH-SECBINFHSA-N 2 1 234.307 0.433 20 0 BCADMP Cc1[nH+]ccn1Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468939 411280944 /nfs/dbraw/zinc/28/09/44/411280944.db2.gz VWXLGUWLSLTMFS-GFCCVEGCSA-N 2 1 246.318 0.756 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000401689427 411283575 /nfs/dbraw/zinc/28/35/75/411283575.db2.gz ZQHUBXRWWXJCSZ-UWVGGRQHSA-N 2 1 209.293 0.730 20 0 BCADMP CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000656540823 411293825 /nfs/dbraw/zinc/29/38/25/411293825.db2.gz SXCFRMRFRCGNMW-JTQLQIEISA-N 2 1 230.356 0.187 20 0 BCADMP CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000656540823 411293827 /nfs/dbraw/zinc/29/38/27/411293827.db2.gz SXCFRMRFRCGNMW-JTQLQIEISA-N 2 1 230.356 0.187 20 0 BCADMP [NH3+]Cc1noc(C[C@@H]2[NH2+]Cc3ccccc32)n1 ZINC000656562125 411302505 /nfs/dbraw/zinc/30/25/05/411302505.db2.gz HAYHHQICKLVGNP-JTQLQIEISA-N 2 1 230.271 0.915 20 0 BCADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@H]1C[NH2+]CCO1 ZINC000656611425 411309829 /nfs/dbraw/zinc/30/98/29/411309829.db2.gz HPRMOQSROYEEFI-NXEZZACHSA-N 2 1 225.292 0.346 20 0 BCADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@H]1C[NH2+]CCO1 ZINC000656611427 411310673 /nfs/dbraw/zinc/31/06/73/411310673.db2.gz HPRMOQSROYEEFI-VHSXEESVSA-N 2 1 225.292 0.346 20 0 BCADMP COC[C@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000659837348 411316232 /nfs/dbraw/zinc/31/62/32/411316232.db2.gz FSTUOFIKUVVYJL-LBPRGKRZSA-N 2 1 230.352 0.674 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(CCCC[NH3+])nn1 ZINC000656439230 411256696 /nfs/dbraw/zinc/25/66/96/411256696.db2.gz OVYZPZAGBVHQAU-UHFFFAOYSA-N 2 1 248.334 0.824 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/CO)[C@H](C)C1 ZINC000658135612 411261193 /nfs/dbraw/zinc/26/11/93/411261193.db2.gz UHAWPVWOXSSODP-RVAOTSRCSA-N 2 1 212.337 0.855 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cn(C)nn2)CC[NH2+]1 ZINC000656792135 411372703 /nfs/dbraw/zinc/37/27/03/411372703.db2.gz OCDGGQFMIQGMDQ-MNOVXSKESA-N 2 1 237.351 0.635 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000659325538 411352787 /nfs/dbraw/zinc/35/27/87/411352787.db2.gz UUUWFAHKVKYFJB-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660616470 411355333 /nfs/dbraw/zinc/35/53/33/411355333.db2.gz LOGFAQXVXXSOFM-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660616470 411355339 /nfs/dbraw/zinc/35/53/39/411355339.db2.gz LOGFAQXVXXSOFM-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660616470 411355345 /nfs/dbraw/zinc/35/53/45/411355345.db2.gz LOGFAQXVXXSOFM-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000216194642 411359353 /nfs/dbraw/zinc/35/93/53/411359353.db2.gz FEUHBORYGQBLEG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000216194642 411359357 /nfs/dbraw/zinc/35/93/57/411359357.db2.gz FEUHBORYGQBLEG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@@H+](CCCCCF)CCN1CC[NH2+]CC1 ZINC000304454749 411365519 /nfs/dbraw/zinc/36/55/19/411365519.db2.gz YLZWXWFLOKGVKP-UHFFFAOYSA-N 2 1 231.359 0.963 20 0 BCADMP CN1c2ccccc2C[C@H]([NH2+]CCC[NH3+])C1=O ZINC000656787349 411365888 /nfs/dbraw/zinc/36/58/88/411365888.db2.gz HZXDKEKPQGXPRZ-NSHDSACASA-N 2 1 233.315 0.513 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000656786847 411366526 /nfs/dbraw/zinc/36/65/26/411366526.db2.gz BGNLKSPPRADHQK-CYBMUJFWSA-N 2 1 249.362 0.600 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@H]1CCC[NH2+]C1 ZINC000656791350 411370100 /nfs/dbraw/zinc/37/01/00/411370100.db2.gz ZHEPGLWVRUUHJB-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000656790726 411370135 /nfs/dbraw/zinc/37/01/35/411370135.db2.gz LZYQGHGYXHKUKN-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000656790726 411370138 /nfs/dbraw/zinc/37/01/38/411370138.db2.gz LZYQGHGYXHKUKN-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656791685 411370493 /nfs/dbraw/zinc/37/04/93/411370493.db2.gz IYGGKPWJSGSTBD-OLZOCXBDSA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000656710669 411337106 /nfs/dbraw/zinc/33/71/06/411337106.db2.gz LGXWUHOQJNZEJX-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000656710669 411337109 /nfs/dbraw/zinc/33/71/09/411337109.db2.gz LGXWUHOQJNZEJX-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CN1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792672 411372221 /nfs/dbraw/zinc/37/22/21/411372221.db2.gz VLSKUNIXVGEZGC-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792672 411372225 /nfs/dbraw/zinc/37/22/25/411372225.db2.gz VLSKUNIXVGEZGC-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCSC2)CC1 ZINC000304666772 411374385 /nfs/dbraw/zinc/37/43/85/411374385.db2.gz BGIORJAPOCKKKD-NSHDSACASA-N 2 1 230.377 0.538 20 0 BCADMP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050247218 168172821 /nfs/dbraw/zinc/17/28/21/168172821.db2.gz RDHDRGHHWUHAQK-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CC1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050247218 168172823 /nfs/dbraw/zinc/17/28/23/168172823.db2.gz RDHDRGHHWUHAQK-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404274342 411387914 /nfs/dbraw/zinc/38/79/14/411387914.db2.gz AGDRLJLLPLQPKX-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404274342 411387916 /nfs/dbraw/zinc/38/79/16/411387916.db2.gz AGDRLJLLPLQPKX-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287052 411388854 /nfs/dbraw/zinc/38/88/54/411388854.db2.gz INJNLMXMRQCMAQ-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)[C@H]1CC[NH3+] ZINC000404290053 411388898 /nfs/dbraw/zinc/38/88/98/411388898.db2.gz KMBOVXRIVWFLFR-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)[C@H]1CC[NH3+] ZINC000404290053 411388900 /nfs/dbraw/zinc/38/89/00/411388900.db2.gz KMBOVXRIVWFLFR-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CCC[N@H+](CC(=O)NC2CC2)[C@@H]1CC[NH3+] ZINC000404290050 411388935 /nfs/dbraw/zinc/38/89/35/411388935.db2.gz KMBOVXRIVWFLFR-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)[C@@H]1CC[NH3+] ZINC000404290050 411388937 /nfs/dbraw/zinc/38/89/37/411388937.db2.gz KMBOVXRIVWFLFR-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404299753 411390142 /nfs/dbraw/zinc/39/01/42/411390142.db2.gz FQDBWCQZGCUONP-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)CC[N@H+]1C ZINC000404219862 411384414 /nfs/dbraw/zinc/38/44/14/411384414.db2.gz KDWAZMDGBJNPQR-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248119 168289833 /nfs/dbraw/zinc/28/98/33/168289833.db2.gz CARCOWSVSZIDNK-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248119 168289836 /nfs/dbraw/zinc/28/98/36/168289836.db2.gz CARCOWSVSZIDNK-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243727 411459246 /nfs/dbraw/zinc/45/92/46/411459246.db2.gz RMGWZRGDLBQLBC-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@H]1CCOC1 ZINC000653498200 411413179 /nfs/dbraw/zinc/41/31/79/411413179.db2.gz LJFCYJOQTCOIQX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@H]1CCOC1 ZINC000653498200 411413182 /nfs/dbraw/zinc/41/31/82/411413182.db2.gz LJFCYJOQTCOIQX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@H]1CCOC1 ZINC000653498200 411413183 /nfs/dbraw/zinc/41/31/83/411413183.db2.gz LJFCYJOQTCOIQX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@H]1CCOC1 ZINC000653498200 411413187 /nfs/dbraw/zinc/41/31/87/411413187.db2.gz LJFCYJOQTCOIQX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653563977 411422126 /nfs/dbraw/zinc/42/21/26/411422126.db2.gz KKDVHXFNZQYSFE-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653563977 411422128 /nfs/dbraw/zinc/42/21/28/411422128.db2.gz KKDVHXFNZQYSFE-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653563977 411422131 /nfs/dbraw/zinc/42/21/31/411422131.db2.gz KKDVHXFNZQYSFE-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653563977 411422134 /nfs/dbraw/zinc/42/21/34/411422134.db2.gz KKDVHXFNZQYSFE-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653566732 411423937 /nfs/dbraw/zinc/42/39/37/411423937.db2.gz HMGLUCFNGJQXNG-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653566732 411423940 /nfs/dbraw/zinc/42/39/40/411423940.db2.gz HMGLUCFNGJQXNG-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000653566732 411423942 /nfs/dbraw/zinc/42/39/42/411423942.db2.gz HMGLUCFNGJQXNG-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000653566732 411423946 /nfs/dbraw/zinc/42/39/46/411423946.db2.gz HMGLUCFNGJQXNG-VXGBXAGGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000653587175 411427720 /nfs/dbraw/zinc/42/77/20/411427720.db2.gz TWMPMCWZFSKVRN-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000653587175 411427723 /nfs/dbraw/zinc/42/77/23/411427723.db2.gz TWMPMCWZFSKVRN-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000653587175 411427726 /nfs/dbraw/zinc/42/77/26/411427726.db2.gz TWMPMCWZFSKVRN-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000653587175 411427728 /nfs/dbraw/zinc/42/77/28/411427728.db2.gz TWMPMCWZFSKVRN-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP Cn1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000270684126 411427987 /nfs/dbraw/zinc/42/79/87/411427987.db2.gz ZGXLHEVCMVUDLH-ZDUSSCGKSA-N 2 1 237.347 0.571 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659529901 411429862 /nfs/dbraw/zinc/42/98/62/411429862.db2.gz MRCLHBCWNMKUJX-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000659551553 411434486 /nfs/dbraw/zinc/43/44/86/411434486.db2.gz VFRPCCOGCWUXQE-MXWKQRLJSA-N 2 1 242.367 0.506 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612977 411439890 /nfs/dbraw/zinc/43/98/90/411439890.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000653612977 411439894 /nfs/dbraw/zinc/43/98/94/411439894.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC)CC1 ZINC000653612977 411439895 /nfs/dbraw/zinc/43/98/95/411439895.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000654764287 411441369 /nfs/dbraw/zinc/44/13/69/411441369.db2.gz YKOBXDZOQMNHDA-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000654764287 411441372 /nfs/dbraw/zinc/44/13/72/411441372.db2.gz YKOBXDZOQMNHDA-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000654764287 411441375 /nfs/dbraw/zinc/44/13/75/411441375.db2.gz YKOBXDZOQMNHDA-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000654764287 411441377 /nfs/dbraw/zinc/44/13/77/411441377.db2.gz YKOBXDZOQMNHDA-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000659609174 411441748 /nfs/dbraw/zinc/44/17/48/411441748.db2.gz IIGMRUJOBVTQPI-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659514611 411467585 /nfs/dbraw/zinc/46/75/85/411467585.db2.gz LRBPLVPDGLOCCU-SNVBAGLBSA-N 2 1 242.367 0.378 20 0 BCADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000659850351 411476519 /nfs/dbraw/zinc/47/65/19/411476519.db2.gz OKENFGSBLFIZHO-WUHRBBMRSA-N 2 1 240.347 0.189 20 0 BCADMP C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000127338054 411484828 /nfs/dbraw/zinc/48/48/28/411484828.db2.gz VGOMHWZWTMPAGJ-VIFPVBQESA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000127338054 411484831 /nfs/dbraw/zinc/48/48/31/411484831.db2.gz VGOMHWZWTMPAGJ-VIFPVBQESA-N 2 1 234.303 0.488 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000659909498 411495624 /nfs/dbraw/zinc/49/56/24/411495624.db2.gz VCJVAFJHNNXHMG-CHWSQXEVSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@H](O)C[N@H+](C)C(C)C ZINC000659909498 411495625 /nfs/dbraw/zinc/49/56/25/411495625.db2.gz VCJVAFJHNNXHMG-CHWSQXEVSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659909498 411495626 /nfs/dbraw/zinc/49/56/26/411495626.db2.gz VCJVAFJHNNXHMG-CHWSQXEVSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000659909502 411495944 /nfs/dbraw/zinc/49/59/44/411495944.db2.gz VCJVAFJHNNXHMG-QWHCGFSZSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@H](C)O ZINC000659909502 411495948 /nfs/dbraw/zinc/49/59/48/411495948.db2.gz VCJVAFJHNNXHMG-QWHCGFSZSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@H](C)O ZINC000659909502 411495949 /nfs/dbraw/zinc/49/59/49/411495949.db2.gz VCJVAFJHNNXHMG-QWHCGFSZSA-N 2 1 246.395 0.779 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000659928503 411501495 /nfs/dbraw/zinc/50/14/95/411501495.db2.gz VJDNJBIBRYVODS-VXGBXAGGSA-N 2 1 230.352 0.531 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633948 411465944 /nfs/dbraw/zinc/46/59/44/411465944.db2.gz CIUPAQNGNOJENJ-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037643500 170006656 /nfs/dbraw/zinc/00/66/56/170006656.db2.gz ZNXXXKVSVSBHRC-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000362374778 170010084 /nfs/dbraw/zinc/01/00/84/170010084.db2.gz DEUNVUJSRBTOTE-NWDGAFQWSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010320 /nfs/dbraw/zinc/01/03/20/170010320.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 2 1 213.369 0.997 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)NC)[C@H](C)C1 ZINC000358023789 170012867 /nfs/dbraw/zinc/01/28/67/170012867.db2.gz KZARXMJHNCAIMR-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028817 170016851 /nfs/dbraw/zinc/01/68/51/170016851.db2.gz CJEQMBPTFJRVEQ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000309028815 170017238 /nfs/dbraw/zinc/01/72/38/170017238.db2.gz CJEQMBPTFJRVEQ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864807 170020186 /nfs/dbraw/zinc/02/01/86/170020186.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864807 170020187 /nfs/dbraw/zinc/02/01/87/170020187.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C)[C@@H](C)C1 ZINC000308864807 170020184 /nfs/dbraw/zinc/02/01/84/170020184.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@H](C)C1 ZINC000336778404 170021488 /nfs/dbraw/zinc/02/14/88/170021488.db2.gz LHIZJRSNACUMCZ-UTLUCORTSA-N 2 1 236.306 0.932 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000358348704 170021673 /nfs/dbraw/zinc/02/16/73/170021673.db2.gz WBQDDUIVYLGEFY-RYUDHWBXSA-N 2 1 242.363 0.315 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125619 170022689 /nfs/dbraw/zinc/02/26/89/170022689.db2.gz IEJIARDYXKEWNM-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125617 170022894 /nfs/dbraw/zinc/02/28/94/170022894.db2.gz IEJIARDYXKEWNM-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH2+]C ZINC000236848692 170024050 /nfs/dbraw/zinc/02/40/50/170024050.db2.gz JGVDTGKLISQXAN-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CCNC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352488750 170058819 /nfs/dbraw/zinc/05/88/19/170058819.db2.gz UENQPYMRIGPOPH-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP CCOC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166122 170219275 /nfs/dbraw/zinc/21/92/75/170219275.db2.gz UHTSDPBCVAEGHZ-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP OC/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657592718 411556692 /nfs/dbraw/zinc/55/66/92/411556692.db2.gz ALZXOXMCSGWKFT-VHYYUZIWSA-N 2 1 210.321 0.751 20 0 BCADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217961040 411592048 /nfs/dbraw/zinc/59/20/48/411592048.db2.gz XLKQWLUZHURGPY-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217961040 411592050 /nfs/dbraw/zinc/59/20/50/411592050.db2.gz XLKQWLUZHURGPY-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657836822 411609443 /nfs/dbraw/zinc/60/94/43/411609443.db2.gz BXXSPZSCPJPNRN-UPJWGTAASA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657836822 411609444 /nfs/dbraw/zinc/60/94/44/411609444.db2.gz BXXSPZSCPJPNRN-UPJWGTAASA-N 2 1 249.362 0.883 20 0 BCADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOCCO)C2 ZINC000660659801 411613866 /nfs/dbraw/zinc/61/38/66/411613866.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOCCO)C2 ZINC000660659801 411613868 /nfs/dbraw/zinc/61/38/68/411613868.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOCCO)C2 ZINC000660659801 411613870 /nfs/dbraw/zinc/61/38/70/411613870.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOCCO)C2 ZINC000660659801 411613871 /nfs/dbraw/zinc/61/38/71/411613871.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876352 411615081 /nfs/dbraw/zinc/61/50/81/411615081.db2.gz LLTUXHBFPMUWBX-NWDGAFQWSA-N 2 1 237.351 0.598 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662964 411615570 /nfs/dbraw/zinc/61/55/70/411615570.db2.gz MEXVEPFCNWDAFD-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662964 411615571 /nfs/dbraw/zinc/61/55/71/411615571.db2.gz MEXVEPFCNWDAFD-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662964 411615572 /nfs/dbraw/zinc/61/55/72/411615572.db2.gz MEXVEPFCNWDAFD-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000660682973 411617076 /nfs/dbraw/zinc/61/70/76/411617076.db2.gz XRJLFDYHSLEKCS-GFCCVEGCSA-N 2 1 244.379 0.584 20 0 BCADMP COCC[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133323869 411710192 /nfs/dbraw/zinc/71/01/92/411710192.db2.gz UHOWRPSRVOXESH-AXFHLTTASA-N 2 1 216.325 0.459 20 0 BCADMP COCC[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133323869 411710194 /nfs/dbraw/zinc/71/01/94/411710194.db2.gz UHOWRPSRVOXESH-AXFHLTTASA-N 2 1 216.325 0.459 20 0 BCADMP CC[C@H](C)[N@@H+](CC)CC(=O)N1CCN(C)CC1 ZINC000661105855 411710461 /nfs/dbraw/zinc/71/04/61/411710461.db2.gz JXTJSWWJCVQXKD-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP NC(=O)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663424890 411656471 /nfs/dbraw/zinc/65/64/71/411656471.db2.gz JASWNMDVWXUTHW-SECBINFHSA-N 2 1 246.314 0.251 20 0 BCADMP NC(=O)c1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663424890 411656477 /nfs/dbraw/zinc/65/64/77/411656477.db2.gz JASWNMDVWXUTHW-SECBINFHSA-N 2 1 246.314 0.251 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000663494281 411672764 /nfs/dbraw/zinc/67/27/64/411672764.db2.gz NHQLUCASYGAOOO-RQJABVFESA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000663494281 411672767 /nfs/dbraw/zinc/67/27/67/411672767.db2.gz NHQLUCASYGAOOO-RQJABVFESA-N 2 1 237.391 0.916 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663497246 411679390 /nfs/dbraw/zinc/67/93/90/411679390.db2.gz MFZUQNIPLJHWLW-WHOHXGKFSA-N 3 1 209.337 0.455 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500052 411683715 /nfs/dbraw/zinc/68/37/15/411683715.db2.gz IMZFEFWNHBWVJM-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500049 411684136 /nfs/dbraw/zinc/68/41/36/411684136.db2.gz IMZFEFWNHBWVJM-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP Cc1ccc(NCCC[NH2+][C@@H](C)[C@@H](C)O)[nH+]c1 ZINC000567684589 411691071 /nfs/dbraw/zinc/69/10/71/411691071.db2.gz MIXDLIKRDZNLME-NWDGAFQWSA-N 2 1 237.347 1.551 20 0 BCADMP C[C@@H]([NH3+])CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000634808914 411817862 /nfs/dbraw/zinc/81/78/62/411817862.db2.gz GNBYJJOHLFCVJA-HTQZYQBOSA-N 2 1 225.296 0.028 20 0 BCADMP C[C@@H]([NH3+])CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000634809012 411821510 /nfs/dbraw/zinc/82/15/10/411821510.db2.gz IKGOPIZLBPFAKC-SECBINFHSA-N 2 1 237.307 0.072 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661828718 411894236 /nfs/dbraw/zinc/89/42/36/411894236.db2.gz VPPZRKKGIPEBOL-IJLUTSLNSA-N 2 1 242.363 0.192 20 0 BCADMP C[NH2+]C(C)(C)c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068849 411901993 /nfs/dbraw/zinc/90/19/93/411901993.db2.gz UXWDNHODBBVKOI-UHFFFAOYSA-N 2 1 246.318 0.758 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccnc(N)c1 ZINC000629571701 411902638 /nfs/dbraw/zinc/90/26/38/411902638.db2.gz HOLCZPVRQJMKSE-UHFFFAOYSA-N 2 1 238.335 0.332 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(N)c1 ZINC000565959697 411911749 /nfs/dbraw/zinc/91/17/49/411911749.db2.gz RSOVYTQTVMLEDM-KOLCDFICSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(N)c1 ZINC000565959697 411911753 /nfs/dbraw/zinc/91/17/53/411911753.db2.gz RSOVYTQTVMLEDM-KOLCDFICSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000566244398 411911849 /nfs/dbraw/zinc/91/18/49/411911849.db2.gz NCQKKSOPKHURBL-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N)nc1 ZINC000647508957 411912128 /nfs/dbraw/zinc/91/21/28/411912128.db2.gz BVUMAJGZZXJTAX-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000661967371 411925073 /nfs/dbraw/zinc/92/50/73/411925073.db2.gz OPDDYBUYENVKCB-WZRBSPASSA-N 2 1 224.348 0.783 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000661967371 411925077 /nfs/dbraw/zinc/92/50/77/411925077.db2.gz OPDDYBUYENVKCB-WZRBSPASSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000661967371 411925079 /nfs/dbraw/zinc/92/50/79/411925079.db2.gz OPDDYBUYENVKCB-WZRBSPASSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000661967371 411925084 /nfs/dbraw/zinc/92/50/84/411925084.db2.gz OPDDYBUYENVKCB-WZRBSPASSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000568983426 411931010 /nfs/dbraw/zinc/93/10/10/411931010.db2.gz JLVYPHFQSCXGCX-IONNQARKSA-N 2 1 226.349 0.813 20 0 BCADMP Nc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccn1 ZINC000563153265 411976119 /nfs/dbraw/zinc/97/61/19/411976119.db2.gz DJALJVYHTGIJLF-LLVKDONJSA-N 2 1 220.320 0.835 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219973035 412009164 /nfs/dbraw/zinc/00/91/64/412009164.db2.gz HVGIAZIOVOLLQG-CMPLNLGQSA-N 2 1 241.379 0.959 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)COCC[NH3+] ZINC000664718435 412014234 /nfs/dbraw/zinc/01/42/34/412014234.db2.gz FARJTGJYIXBLPV-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)C[NH3+] ZINC000664718378 412014297 /nfs/dbraw/zinc/01/42/97/412014297.db2.gz CVDFDCXEYXJCPF-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[NH2+]C ZINC000664718656 412014326 /nfs/dbraw/zinc/01/43/26/412014326.db2.gz GYEHSTFMHIWQMB-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662266212 412058773 /nfs/dbraw/zinc/05/87/73/412058773.db2.gz KTJOIZCRQJNIHJ-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662266212 412058776 /nfs/dbraw/zinc/05/87/76/412058776.db2.gz KTJOIZCRQJNIHJ-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662228608 412031567 /nfs/dbraw/zinc/03/15/67/412031567.db2.gz IVUSMJAJJQRIHI-STQMWFEESA-N 2 1 224.348 0.954 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000662242984 412037049 /nfs/dbraw/zinc/03/70/49/412037049.db2.gz GIZWZIQLLSRUSK-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000662242984 412037053 /nfs/dbraw/zinc/03/70/53/412037053.db2.gz GIZWZIQLLSRUSK-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245142 412041030 /nfs/dbraw/zinc/04/10/30/412041030.db2.gz HWUNWEDFILZYCG-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245142 412041033 /nfs/dbraw/zinc/04/10/33/412041033.db2.gz HWUNWEDFILZYCG-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662244646 412041349 /nfs/dbraw/zinc/04/13/49/412041349.db2.gz FADJDAZFYJQDRW-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662244646 412041353 /nfs/dbraw/zinc/04/13/53/412041353.db2.gz FADJDAZFYJQDRW-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662246414 412042555 /nfs/dbraw/zinc/04/25/55/412042555.db2.gz RTXGKQTZSMIMQP-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247173 412044453 /nfs/dbraw/zinc/04/44/53/412044453.db2.gz USPHRLJEZHFKCW-NEPJUHHUSA-N 2 1 239.363 0.049 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000662247626 412044572 /nfs/dbraw/zinc/04/45/72/412044572.db2.gz HGWYJDDSLCRZED-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000662247626 412044575 /nfs/dbraw/zinc/04/45/75/412044575.db2.gz HGWYJDDSLCRZED-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246879 412044922 /nfs/dbraw/zinc/04/49/22/412044922.db2.gz UQZJCZFBXJJTJV-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246879 412044926 /nfs/dbraw/zinc/04/49/26/412044926.db2.gz UQZJCZFBXJJTJV-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247176 412045045 /nfs/dbraw/zinc/04/50/45/412045045.db2.gz USPHRLJEZHFKCW-VXGBXAGGSA-N 2 1 239.363 0.049 20 0 BCADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCCOCC1 ZINC000662253894 412048837 /nfs/dbraw/zinc/04/88/37/412048837.db2.gz YFCXICILJFQOHB-NSHDSACASA-N 2 1 226.320 0.230 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257003 412050863 /nfs/dbraw/zinc/05/08/63/412050863.db2.gz LIWAQYUNHKWAJY-GHMZBOCLSA-N 2 1 242.388 0.945 20 0 BCADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCOC1 ZINC000662259243 412054155 /nfs/dbraw/zinc/05/41/55/412054155.db2.gz SRJQMGODKALNDH-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ncn1 ZINC000662265245 412055857 /nfs/dbraw/zinc/05/58/57/412055857.db2.gz OMGOQJYDEWGBTA-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ncn1 ZINC000662265245 412055859 /nfs/dbraw/zinc/05/58/59/412055859.db2.gz OMGOQJYDEWGBTA-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ncn1 ZINC000662265247 412056079 /nfs/dbraw/zinc/05/60/79/412056079.db2.gz OMGOQJYDEWGBTA-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ncn1 ZINC000662265247 412056084 /nfs/dbraw/zinc/05/60/84/412056084.db2.gz OMGOQJYDEWGBTA-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336752204 171044087 /nfs/dbraw/zinc/04/40/87/171044087.db2.gz FYTSEIXVYODOIM-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336752204 171044090 /nfs/dbraw/zinc/04/40/90/171044090.db2.gz FYTSEIXVYODOIM-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](CN)C1CC1 ZINC000662272653 412062284 /nfs/dbraw/zinc/06/22/84/412062284.db2.gz HKNOYPGYDJQYOJ-RYUDHWBXSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](CN)C1CC1 ZINC000662272653 412062287 /nfs/dbraw/zinc/06/22/87/412062287.db2.gz HKNOYPGYDJQYOJ-RYUDHWBXSA-N 2 1 239.363 0.177 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848630 171100312 /nfs/dbraw/zinc/10/03/12/171100312.db2.gz LFTMRJUSFLDXCP-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273108 412064693 /nfs/dbraw/zinc/06/46/93/412064693.db2.gz SYSBDKGJUSAGNU-UTUOFQBUSA-N 2 1 230.352 0.707 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273109 412066094 /nfs/dbraw/zinc/06/60/94/412066094.db2.gz SYSBDKGJUSAGNU-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000353476121 171147184 /nfs/dbraw/zinc/14/71/84/171147184.db2.gz YLFZATRSEHQYNK-RYUDHWBXSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000353430959 171148908 /nfs/dbraw/zinc/14/89/08/171148908.db2.gz XPDIXLZHJOJJGL-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H](O)C[NH3+] ZINC000662277660 412069392 /nfs/dbraw/zinc/06/93/92/412069392.db2.gz RPOKVWPFHFINDR-CYBMUJFWSA-N 3 1 249.358 0.084 20 0 BCADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H](O)C[NH3+] ZINC000662277660 412069393 /nfs/dbraw/zinc/06/93/93/412069393.db2.gz RPOKVWPFHFINDR-CYBMUJFWSA-N 3 1 249.358 0.084 20 0 BCADMP C1=CCC(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000662276759 412069396 /nfs/dbraw/zinc/06/93/96/412069396.db2.gz PMNZQGDIEBJCQD-CQSZACIVSA-N 2 1 235.375 0.932 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000662276905 412069495 /nfs/dbraw/zinc/06/94/95/412069495.db2.gz NDEVHCMDURRTPB-STQMWFEESA-N 2 1 244.379 0.833 20 0 BCADMP CC[C@@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC000309843561 171176508 /nfs/dbraw/zinc/17/65/08/171176508.db2.gz FIYJHYBVUWFGMK-CMPLNLGQSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC000309843561 171176510 /nfs/dbraw/zinc/17/65/10/171176510.db2.gz FIYJHYBVUWFGMK-CMPLNLGQSA-N 2 1 227.352 0.714 20 0 BCADMP OCC1([NH2+]CC[C@H]2CCC[NH2+]C2)CCNCC1 ZINC000662286838 412077642 /nfs/dbraw/zinc/07/76/42/412077642.db2.gz MWQWCRHFKUXNAB-GFCCVEGCSA-N 2 1 241.379 0.080 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCO[C@H]1CC1(F)F ZINC000662283050 412075000 /nfs/dbraw/zinc/07/50/00/412075000.db2.gz ZTYNEMIEPHTMCX-VIFPVBQESA-N 2 1 222.279 0.952 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000662283050 412075005 /nfs/dbraw/zinc/07/50/05/412075005.db2.gz ZTYNEMIEPHTMCX-VIFPVBQESA-N 2 1 222.279 0.952 20 0 BCADMP COCC1([N@@H+](C)CCOCC[NH3+])CC1 ZINC000662297617 412084052 /nfs/dbraw/zinc/08/40/52/412084052.db2.gz GUMLSPYNSHYYPU-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000246240313 171306038 /nfs/dbraw/zinc/30/60/38/171306038.db2.gz IRUVMRXNIVMREM-MNOVXSKESA-N 2 1 229.368 0.688 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000300359101 171307108 /nfs/dbraw/zinc/30/71/08/171307108.db2.gz MTNSINHKECHIKY-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293276 171324400 /nfs/dbraw/zinc/32/44/00/171324400.db2.gz HQVBZERFBOSMGL-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380596 171370593 /nfs/dbraw/zinc/37/05/93/171370593.db2.gz ARFQBLDTNXMOJA-WDEREUQCSA-N 2 1 245.367 0.054 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133556 171370655 /nfs/dbraw/zinc/37/06/55/171370655.db2.gz UONFLPAJNFMHRA-WDEREUQCSA-N 2 1 229.368 0.816 20 0 BCADMP CN(C)C(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662294794 412082326 /nfs/dbraw/zinc/08/23/26/412082326.db2.gz NOAAPHJFSHKCIZ-UHFFFAOYSA-N 2 1 201.314 0.134 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294794 412082330 /nfs/dbraw/zinc/08/23/30/412082330.db2.gz NOAAPHJFSHKCIZ-UHFFFAOYSA-N 2 1 201.314 0.134 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217844 171394545 /nfs/dbraw/zinc/39/45/45/171394545.db2.gz BESCCYVNRMPBFO-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000662386496 412140316 /nfs/dbraw/zinc/14/03/16/412140316.db2.gz BBJPZVZGALLNLK-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662298936 412087410 /nfs/dbraw/zinc/08/74/10/412087410.db2.gz SZHWZGINEDGRHV-SRVKXCTJSA-N 2 1 210.321 0.849 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000662389437 412141730 /nfs/dbraw/zinc/14/17/30/412141730.db2.gz XIZNJNVNQZFTEJ-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316222 412094431 /nfs/dbraw/zinc/09/44/31/412094431.db2.gz XJJMBGCGENTCDZ-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1CCC[NH3+] ZINC000662314973 412096994 /nfs/dbraw/zinc/09/69/94/412096994.db2.gz GFNDHVSFOXFQJS-NXEZZACHSA-N 2 1 213.325 0.311 20 0 BCADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000662316673 412097599 /nfs/dbraw/zinc/09/75/99/412097599.db2.gz LUVPSGFEQKDTNP-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317291 412098751 /nfs/dbraw/zinc/09/87/51/412098751.db2.gz OGCPUSWFOQVCHP-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000662389436 412142156 /nfs/dbraw/zinc/14/21/56/412142156.db2.gz XIZNJNVNQZFTEJ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC12CC(C1)C[N@H+]2CCN1CC[NH2+]CC1 ZINC000662339017 412108393 /nfs/dbraw/zinc/10/83/93/412108393.db2.gz ZJUVFTXOSSYCQR-UHFFFAOYSA-N 2 1 209.337 0.376 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000662442112 412175783 /nfs/dbraw/zinc/17/57/83/412175783.db2.gz QJPLFGZMECNPAR-ONGXEEELSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000665243409 412187649 /nfs/dbraw/zinc/18/76/49/412187649.db2.gz DABCFPYVAVJJSH-NHCYSSNCSA-N 2 1 209.337 0.421 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662472190 412187891 /nfs/dbraw/zinc/18/78/91/412187891.db2.gz PNYAEUDQBFCNNH-TUAOUCFPSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000662483227 412191520 /nfs/dbraw/zinc/19/15/20/412191520.db2.gz SSHHFOJVJKUOAI-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662539667 412208542 /nfs/dbraw/zinc/20/85/42/412208542.db2.gz HBKWPWNDDNTXHU-LPEHRKFASA-N 2 1 225.336 0.336 20 0 BCADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)C1C[NH2+]C1 ZINC000665265139 412208932 /nfs/dbraw/zinc/20/89/32/412208932.db2.gz QIBRERWKNORDAP-SECBINFHSA-N 2 1 234.347 0.995 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000662419190 412160114 /nfs/dbraw/zinc/16/01/14/412160114.db2.gz FQOIOXGPKINTSG-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000662438356 412174681 /nfs/dbraw/zinc/17/46/81/412174681.db2.gz ZPTIYKFLTNOUKM-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662439340 412174913 /nfs/dbraw/zinc/17/49/13/412174913.db2.gz KPZWEYMWVWLPKU-QWRGUYRKSA-N 2 1 229.368 0.831 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662659380 412260130 /nfs/dbraw/zinc/26/01/30/412260130.db2.gz LFJRHBLQDKXRIB-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000662673474 412267190 /nfs/dbraw/zinc/26/71/90/412267190.db2.gz LBFLFSZIPWAURW-MGCOHNPYSA-N 2 1 223.320 0.030 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@H+]1C ZINC000361980185 412270141 /nfs/dbraw/zinc/27/01/41/412270141.db2.gz HZBRUZUAGDHFTP-NWDGAFQWSA-N 2 1 249.362 0.961 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000662686517 412270578 /nfs/dbraw/zinc/27/05/78/412270578.db2.gz GOUAWTHSDBZGHT-KKOKHZNYSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000662700371 412275699 /nfs/dbraw/zinc/27/56/99/412275699.db2.gz HTWURHFKBPGQDK-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704216 412276750 /nfs/dbraw/zinc/27/67/50/412276750.db2.gz WRMDXHLUVHFRIH-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000662711292 412279537 /nfs/dbraw/zinc/27/95/37/412279537.db2.gz AVAFQZOLFYRKSM-GUBZILKMSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662711225 412280043 /nfs/dbraw/zinc/28/00/43/412280043.db2.gz MYKOLFBFCBMSRH-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714510 412281480 /nfs/dbraw/zinc/28/14/80/412281480.db2.gz IWSUGQBQVVRXMS-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@H+]1C1CC1 ZINC000665277515 412221779 /nfs/dbraw/zinc/22/17/79/412221779.db2.gz DFDRRKNGBCCXRT-ATWGWHJKSA-N 2 1 235.375 0.953 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000662567988 412222204 /nfs/dbraw/zinc/22/22/04/412222204.db2.gz OOPAHFHHSLGETQ-ONGXEEELSA-N 2 1 231.315 0.144 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000662567986 412222766 /nfs/dbraw/zinc/22/27/66/412222766.db2.gz OOPAHFHHSLGETQ-KOLCDFICSA-N 2 1 231.315 0.144 20 0 BCADMP C[C@@H](CCCC[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000665279637 412222917 /nfs/dbraw/zinc/22/29/17/412222917.db2.gz ICNDLMYRDBJAPY-UNXYVOJBSA-N 2 1 211.353 0.846 20 0 BCADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000665278831 412223730 /nfs/dbraw/zinc/22/37/30/412223730.db2.gz PPELUXJCJMOISK-VOBJUBJWSA-N 2 1 210.321 0.896 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665283491 412229617 /nfs/dbraw/zinc/22/96/17/412229617.db2.gz OTHVHKQPKDQQPG-JHJVBQTASA-N 2 1 243.395 0.716 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662585782 412230184 /nfs/dbraw/zinc/23/01/84/412230184.db2.gz LQESTBLNGDUMGD-WDEREUQCSA-N 2 1 236.319 0.756 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1cnc[nH]1 ZINC000662585516 412230390 /nfs/dbraw/zinc/23/03/90/412230390.db2.gz JPQUNYAKMCISOP-JTQLQIEISA-N 2 1 224.308 0.742 20 0 BCADMP CNC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665295225 412243327 /nfs/dbraw/zinc/24/33/27/412243327.db2.gz ALBVPIUYSWQXBA-MNOVXSKESA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619703 412244499 /nfs/dbraw/zinc/24/44/99/412244499.db2.gz NTZPUKMUPLZWRQ-DCAQKATOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619287 412244578 /nfs/dbraw/zinc/24/45/78/412244578.db2.gz JSFKSIVVIFKWBC-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619285 412245188 /nfs/dbraw/zinc/24/51/88/412245188.db2.gz JSFKSIVVIFKWBC-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665299863 412248330 /nfs/dbraw/zinc/24/83/30/412248330.db2.gz UOPOVFSOTBAPJY-TUAOUCFPSA-N 2 1 239.363 0.775 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000662793369 412305412 /nfs/dbraw/zinc/30/54/12/412305412.db2.gz GMOJYOJMZMHECN-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794183 412305496 /nfs/dbraw/zinc/30/54/96/412305496.db2.gz PKZLTKSSINAYPB-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835665 412316197 /nfs/dbraw/zinc/31/61/97/412316197.db2.gz RJFCXXIHBMZABX-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835666 412317542 /nfs/dbraw/zinc/31/75/42/412317542.db2.gz RJFCXXIHBMZABX-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@]1(NC(=O)c2csc(C[NH3+])n2)CC[NH2+]C1 ZINC000663002956 412366614 /nfs/dbraw/zinc/36/66/14/412366614.db2.gz AGSLTNRXEIYXGO-SNVBAGLBSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000662854720 412324102 /nfs/dbraw/zinc/32/41/02/412324102.db2.gz UNPKHYIOFGKGOZ-SECBINFHSA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000662854721 412324650 /nfs/dbraw/zinc/32/46/50/412324650.db2.gz UNPKHYIOFGKGOZ-VIFPVBQESA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888663 412343463 /nfs/dbraw/zinc/34/34/63/412343463.db2.gz LFCLZMVLVCROBQ-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662750026 412291549 /nfs/dbraw/zinc/29/15/49/412291549.db2.gz NSSHRDCFKPZOES-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662750619 412291873 /nfs/dbraw/zinc/29/18/73/412291873.db2.gz VGPMKMBQJILKRP-XYPYZODXSA-N 2 1 227.352 0.572 20 0 BCADMP CC1(C)CC[NH2+][C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000662766987 412295690 /nfs/dbraw/zinc/29/56/90/412295690.db2.gz PNTDEVWOEFSHBL-ZETCQYMHSA-N 2 1 235.278 0.085 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662767069 412295840 /nfs/dbraw/zinc/29/58/40/412295840.db2.gz RHTCWZQQDKXYGL-LHLIQPBNSA-N 2 1 243.257 0.428 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792990 412305058 /nfs/dbraw/zinc/30/50/58/412305058.db2.gz QGCGETLXGOLIMU-IJLUTSLNSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000663013106 412371143 /nfs/dbraw/zinc/37/11/43/412371143.db2.gz JHOOLNJQJMBYDS-CKYFFXLPSA-N 2 1 225.336 0.195 20 0 BCADMP COc1c(N)[nH+]cnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000663242389 412399498 /nfs/dbraw/zinc/39/94/98/412399498.db2.gz OKDMAKKQGSRTRH-PHDIDXHHSA-N 2 1 211.269 0.215 20 0 BCADMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)C1CC([NH3+])C1 ZINC000336211672 172333445 /nfs/dbraw/zinc/33/34/45/172333445.db2.gz FHWXRFLXWBIMJI-AMDVSUOASA-N 2 1 247.289 0.179 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309395276 172358094 /nfs/dbraw/zinc/35/80/94/172358094.db2.gz STSRGIOOJSEEJT-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000132293173 172383609 /nfs/dbraw/zinc/38/36/09/172383609.db2.gz KIVFNQBQMZKCLD-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[NH3+] ZINC000237075588 172777731 /nfs/dbraw/zinc/77/77/31/172777731.db2.gz GSQCLZYJQMNTAJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH2+]CC1 ZINC000082654356 173006043 /nfs/dbraw/zinc/00/60/43/173006043.db2.gz FETVBEKOIIKHNV-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000246866890 173011096 /nfs/dbraw/zinc/01/10/96/173011096.db2.gz JHTPKFYUIGVNHV-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044751518 173012339 /nfs/dbraw/zinc/01/23/39/173012339.db2.gz OMBSWVUWKSQYDO-UHFFFAOYSA-N 2 1 213.325 0.135 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227861386 173014135 /nfs/dbraw/zinc/01/41/35/173014135.db2.gz FMEZWDHLOLJFNI-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062889905 173015072 /nfs/dbraw/zinc/01/50/72/173015072.db2.gz RDWCHNQNNTYNHE-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000336321131 173022277 /nfs/dbraw/zinc/02/22/77/173022277.db2.gz HTVWZWABCFCEMV-NWDGAFQWSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336321131 173022278 /nfs/dbraw/zinc/02/22/78/173022278.db2.gz HTVWZWABCFCEMV-NWDGAFQWSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336321131 173022280 /nfs/dbraw/zinc/02/22/80/173022280.db2.gz HTVWZWABCFCEMV-NWDGAFQWSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000305146957 173026751 /nfs/dbraw/zinc/02/67/51/173026751.db2.gz YQWCFMIEJIZHBQ-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC[NH+](C)C1 ZINC000357090796 173041400 /nfs/dbraw/zinc/04/14/00/173041400.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP C[NH+](CCOCC[NH3+])C[C@H]1CCC[N@H+](C)C1 ZINC000357090796 173041402 /nfs/dbraw/zinc/04/14/02/173041402.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP C[NH+](CCOCC[NH3+])C[C@H]1CCC[N@@H+](C)C1 ZINC000357090796 173041403 /nfs/dbraw/zinc/04/14/03/173041403.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP CN1CCC[C@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000357090796 173041405 /nfs/dbraw/zinc/04/14/05/173041405.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 2 1 229.368 0.235 20 0 BCADMP CN1CCC[C@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000357090796 173041406 /nfs/dbraw/zinc/04/14/06/173041406.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 2 1 229.368 0.235 20 0 BCADMP CN(CCOCC[NH3+])C[C@H]1CCC[N@H+](C)C1 ZINC000357090796 173041408 /nfs/dbraw/zinc/04/14/08/173041408.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 2 1 229.368 0.235 20 0 BCADMP CN(CCOCC[NH3+])C[C@H]1CCC[N@@H+](C)C1 ZINC000357090796 173041410 /nfs/dbraw/zinc/04/14/10/173041410.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 2 1 229.368 0.235 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1(CO)CC1 ZINC000353021012 173050414 /nfs/dbraw/zinc/05/04/14/173050414.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1(CO)CC1 ZINC000353021012 173050417 /nfs/dbraw/zinc/05/04/17/173050417.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1(CO)CC1 ZINC000353021012 173050420 /nfs/dbraw/zinc/05/04/20/173050420.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673647 173044043 /nfs/dbraw/zinc/04/40/43/173044043.db2.gz DMQAXSAXUNVKPW-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394219 173056236 /nfs/dbraw/zinc/05/62/36/173056236.db2.gz GPANPSBEYOBSPM-JQWIXIFHSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000227333548 173058164 /nfs/dbraw/zinc/05/81/64/173058164.db2.gz UBZGJGYVHUHOCN-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262927 173059385 /nfs/dbraw/zinc/05/93/85/173059385.db2.gz RRHFEBNWZHQZOO-QWRGUYRKSA-N 2 1 237.347 0.563 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261586 173060053 /nfs/dbraw/zinc/06/00/53/173060053.db2.gz AWGADRZJBCYAAS-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055122089 173066333 /nfs/dbraw/zinc/06/63/33/173066333.db2.gz BIYHYSMUPPTCHS-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000019480797 173066502 /nfs/dbraw/zinc/06/65/02/173066502.db2.gz CPLVPJBHTAHNIE-UHFFFAOYSA-N 2 1 213.325 0.280 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH3+])C2(CCCCC2)C1 ZINC000237134274 173066684 /nfs/dbraw/zinc/06/66/84/173066684.db2.gz UDGJTYQJHNVCGO-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055122085 173066707 /nfs/dbraw/zinc/06/67/07/173066707.db2.gz BIYHYSMUPPTCHS-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134462862 173066813 /nfs/dbraw/zinc/06/68/13/173066813.db2.gz JIKKCWBFIDOQGX-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC000336262823 173068188 /nfs/dbraw/zinc/06/81/88/173068188.db2.gz CZITXVULNZYCKX-NSHDSACASA-N 2 1 243.326 0.194 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC000336262823 173068190 /nfs/dbraw/zinc/06/81/90/173068190.db2.gz CZITXVULNZYCKX-NSHDSACASA-N 2 1 243.326 0.194 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062855959 173114357 /nfs/dbraw/zinc/11/43/57/173114357.db2.gz GLLMLBMRASTLMW-WCQYABFASA-N 2 1 239.363 0.444 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000358175327 173138553 /nfs/dbraw/zinc/13/85/53/173138553.db2.gz VISQZACNYVJRIW-CYBMUJFWSA-N 2 1 238.306 0.982 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000358175327 173138555 /nfs/dbraw/zinc/13/85/55/173138555.db2.gz VISQZACNYVJRIW-CYBMUJFWSA-N 2 1 238.306 0.982 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCSC2)C1 ZINC000308966684 173139494 /nfs/dbraw/zinc/13/94/94/173139494.db2.gz WGWKLJRPBIHYEF-GHMZBOCLSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCSC2)C1 ZINC000308966684 173139497 /nfs/dbraw/zinc/13/94/97/173139497.db2.gz WGWKLJRPBIHYEF-GHMZBOCLSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3OCCO3)C2)C1 ZINC000366535292 173139946 /nfs/dbraw/zinc/13/99/46/173139946.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 2 1 240.347 0.777 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3OCCO3)C2)C1 ZINC000366535292 173139948 /nfs/dbraw/zinc/13/99/48/173139948.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 2 1 240.347 0.777 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC3OCCO3)C2)C1 ZINC000366535292 173139951 /nfs/dbraw/zinc/13/99/51/173139951.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 2 1 240.347 0.777 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751815 173145628 /nfs/dbraw/zinc/14/56/28/173145628.db2.gz JLEMJOMBEMISFR-SECBINFHSA-N 2 1 213.325 0.039 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CC(C)(C)O)C2)C1 ZINC000308962021 173168532 /nfs/dbraw/zinc/16/85/32/173168532.db2.gz GQUHLZAJCFECFA-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CC(C)(C)O)C2)C1 ZINC000308962021 173168535 /nfs/dbraw/zinc/16/85/35/173168535.db2.gz GQUHLZAJCFECFA-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000308962021 173168538 /nfs/dbraw/zinc/16/85/38/173168538.db2.gz GQUHLZAJCFECFA-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000308995125 173237890 /nfs/dbraw/zinc/23/78/90/173237890.db2.gz MHSNBQZLKYQOHO-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP CNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000270691989 173248054 /nfs/dbraw/zinc/24/80/54/173248054.db2.gz WJOIKKPMSGDIIT-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270691989 173248060 /nfs/dbraw/zinc/24/80/60/173248060.db2.gz WJOIKKPMSGDIIT-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271872371 173280101 /nfs/dbraw/zinc/28/01/01/173280101.db2.gz MXTCXSKHFOPKMW-SNVBAGLBSA-N 2 1 225.336 0.363 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271872369 173281686 /nfs/dbraw/zinc/28/16/86/173281686.db2.gz MXTCXSKHFOPKMW-JTQLQIEISA-N 2 1 225.336 0.363 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000323083550 173281985 /nfs/dbraw/zinc/28/19/85/173281985.db2.gz ZEOZHYBVVFXTCL-JTQLQIEISA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000298703739 173282040 /nfs/dbraw/zinc/28/20/40/173282040.db2.gz QJBDSDMYFCYCFW-JTQLQIEISA-N 2 1 238.335 0.696 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336761115 173282907 /nfs/dbraw/zinc/28/29/07/173282907.db2.gz KGJFXHLLVQCTEM-OUAUKWLOSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336761115 173282908 /nfs/dbraw/zinc/28/29/08/173282908.db2.gz KGJFXHLLVQCTEM-OUAUKWLOSA-N 2 1 227.352 0.441 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000322662368 173283051 /nfs/dbraw/zinc/28/30/51/173283051.db2.gz AQBZDNLPKOETKU-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CCc1cncn1C ZINC000290048073 173307501 /nfs/dbraw/zinc/30/75/01/173307501.db2.gz OLVXMBAZXWTUDX-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000193131026 173325487 /nfs/dbraw/zinc/32/54/87/173325487.db2.gz DCWOANOVQADHIX-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000237220775 173329312 /nfs/dbraw/zinc/32/93/12/173329312.db2.gz GWYNPEHUCQNGLG-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018053 173332527 /nfs/dbraw/zinc/33/25/27/173332527.db2.gz VJSYQUHCYILAFU-ZDUSSCGKSA-N 2 1 247.342 0.597 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000375911485 173339373 /nfs/dbraw/zinc/33/93/73/173339373.db2.gz GXDVNVORBMOYBC-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)NCCCCn1cc[nH+]c1C ZINC000357244529 173339730 /nfs/dbraw/zinc/33/97/30/173339730.db2.gz SSCPCBINGZWAPT-UHFFFAOYSA-N 2 1 238.335 0.697 20 0 BCADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000069730617 173342574 /nfs/dbraw/zinc/34/25/74/173342574.db2.gz GQOMQKAGXBXENF-JTQLQIEISA-N 2 1 228.336 0.869 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812759 173343973 /nfs/dbraw/zinc/34/39/73/173343973.db2.gz RUIWNXKISCWRCF-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812650 173344008 /nfs/dbraw/zinc/34/40/08/173344008.db2.gz GFARNKOIMPLEBX-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000237205893 173344570 /nfs/dbraw/zinc/34/45/70/173344570.db2.gz IQJZOSRFTMQQPE-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438676 173346937 /nfs/dbraw/zinc/34/69/37/173346937.db2.gz XQRVOPHSFSWGFJ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000372433858 173352334 /nfs/dbraw/zinc/35/23/34/173352334.db2.gz QRFZFKOOUZQTKK-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250748088 173370313 /nfs/dbraw/zinc/37/03/13/173370313.db2.gz OIHOJSJBYBJDDH-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251641870 173374256 /nfs/dbraw/zinc/37/42/56/173374256.db2.gz FYJQDRFOWVEZEX-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251148087 173374657 /nfs/dbraw/zinc/37/46/57/173374657.db2.gz XTULJBRPJQIWNS-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234406834 173381815 /nfs/dbraw/zinc/38/18/15/173381815.db2.gz CCXWOSVGSYBAKA-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP COCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336713401 174193964 /nfs/dbraw/zinc/19/39/64/174193964.db2.gz VMGVLLFAKOFIPM-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP COCCC[N@@H+](CCOC)CC1CC[NH2+]CC1 ZINC000042425401 174224206 /nfs/dbraw/zinc/22/42/06/174224206.db2.gz QBSKYFVZWBUGGS-UHFFFAOYSA-N 2 1 244.379 0.971 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309940054 174261678 /nfs/dbraw/zinc/26/16/78/174261678.db2.gz BJUZXAWZXDUIEL-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309940054 174261679 /nfs/dbraw/zinc/26/16/79/174261679.db2.gz BJUZXAWZXDUIEL-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]C1CC(OC)C1 ZINC000336678403 174276109 /nfs/dbraw/zinc/27/61/09/174276109.db2.gz BRIROKZMHPSWBT-UHFFFAOYSA-N 2 1 230.352 0.722 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843401 174279370 /nfs/dbraw/zinc/27/93/70/174279370.db2.gz BEHAAHPIYSPHMX-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP COCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843401 174279372 /nfs/dbraw/zinc/27/93/72/174279372.db2.gz BEHAAHPIYSPHMX-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP COCCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031993301 174354819 /nfs/dbraw/zinc/35/48/19/174354819.db2.gz MFOHLLINMWKQEQ-LBPRGKRZSA-N 2 1 228.336 0.335 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122324681 174354827 /nfs/dbraw/zinc/35/48/27/174354827.db2.gz VAPYMSDQXMMPJF-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031993298 174354909 /nfs/dbraw/zinc/35/49/09/174354909.db2.gz MFOHLLINMWKQEQ-GFCCVEGCSA-N 2 1 228.336 0.335 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000042441714 175095613 /nfs/dbraw/zinc/09/56/13/175095613.db2.gz YOSUXXWDXFTFSJ-LLVKDONJSA-N 2 1 224.304 0.447 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000042441714 175095614 /nfs/dbraw/zinc/09/56/14/175095614.db2.gz YOSUXXWDXFTFSJ-LLVKDONJSA-N 2 1 224.304 0.447 20 0 BCADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[NH3+] ZINC000369114398 175348817 /nfs/dbraw/zinc/34/88/17/175348817.db2.gz BOQGWUIYWJHSJP-NSHDSACASA-N 2 1 249.314 0.127 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252418954 176046896 /nfs/dbraw/zinc/04/68/96/176046896.db2.gz XLUOOJCSUMSVQS-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224214867 176066891 /nfs/dbraw/zinc/06/68/91/176066891.db2.gz GKYCLXOOCJTTQD-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224214867 176066894 /nfs/dbraw/zinc/06/68/94/176066894.db2.gz GKYCLXOOCJTTQD-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[NH3+])C1 ZINC000237399824 176097701 /nfs/dbraw/zinc/09/77/01/176097701.db2.gz FJXWMIIHQUZUHF-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336756681 176131777 /nfs/dbraw/zinc/13/17/77/176131777.db2.gz JNNYRFLIJIXZKG-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336756681 176131778 /nfs/dbraw/zinc/13/17/78/176131778.db2.gz JNNYRFLIJIXZKG-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000335653178 176171163 /nfs/dbraw/zinc/17/11/63/176171163.db2.gz WCIRDCCNTNBJFF-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336675091 176172715 /nfs/dbraw/zinc/17/27/15/176172715.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336675091 176172717 /nfs/dbraw/zinc/17/27/17/176172717.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675091 176172719 /nfs/dbraw/zinc/17/27/19/176172719.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675091 176172721 /nfs/dbraw/zinc/17/27/21/176172721.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000336756697 176213540 /nfs/dbraw/zinc/21/35/40/176213540.db2.gz JOFXAEZOUQLNDW-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000336756697 176213542 /nfs/dbraw/zinc/21/35/42/176213542.db2.gz JOFXAEZOUQLNDW-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000043497688 176221761 /nfs/dbraw/zinc/22/17/61/176221761.db2.gz ZEIRHQIIQLMJJI-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493605 176221934 /nfs/dbraw/zinc/22/19/34/176221934.db2.gz NQBDEPUFWOLEAX-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226401630 176266413 /nfs/dbraw/zinc/26/64/13/176266413.db2.gz VRLOOPGQJUZZKL-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226401630 176266414 /nfs/dbraw/zinc/26/64/14/176266414.db2.gz VRLOOPGQJUZZKL-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH2+]CC1CC1 ZINC000226402505 176267234 /nfs/dbraw/zinc/26/72/34/176267234.db2.gz LKFPRSVZUCNOCP-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]CC1CC1 ZINC000226402505 176267236 /nfs/dbraw/zinc/26/72/36/176267236.db2.gz LKFPRSVZUCNOCP-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1CN(C)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000108356897 176267448 /nfs/dbraw/zinc/26/74/48/176267448.db2.gz SRCRPHLQRLQJJG-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000358048264 176268610 /nfs/dbraw/zinc/26/86/10/176268610.db2.gz PBLYAQUGGNWJMC-FVCCEPFGSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000336757935 176269767 /nfs/dbraw/zinc/26/97/67/176269767.db2.gz ZIEMXAUMDDANJW-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000336757935 176269768 /nfs/dbraw/zinc/26/97/68/176269768.db2.gz ZIEMXAUMDDANJW-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000361585997 176270421 /nfs/dbraw/zinc/27/04/21/176270421.db2.gz KJFBOWSXMIOWOE-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000361585997 176270422 /nfs/dbraw/zinc/27/04/22/176270422.db2.gz KJFBOWSXMIOWOE-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000358233423 176270501 /nfs/dbraw/zinc/27/05/01/176270501.db2.gz OFIMMJQPHCFYLI-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000362585019 176272451 /nfs/dbraw/zinc/27/24/51/176272451.db2.gz AYBMAQYUSVADMC-UTUOFQBUSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000362585019 176272453 /nfs/dbraw/zinc/27/24/53/176272453.db2.gz AYBMAQYUSVADMC-UTUOFQBUSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000362585019 176272456 /nfs/dbraw/zinc/27/24/56/176272456.db2.gz AYBMAQYUSVADMC-UTUOFQBUSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000104341982 176278384 /nfs/dbraw/zinc/27/83/84/176278384.db2.gz NCIBPKFXBZASDC-KKOKHZNYSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000310184920 176278441 /nfs/dbraw/zinc/27/84/41/176278441.db2.gz YFKZHERDDMVSAV-WYUUTHIRSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000092085526 176286011 /nfs/dbraw/zinc/28/60/11/176286011.db2.gz RGGRUGPTIIIALB-TXEJJXNPSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000123409759 176291029 /nfs/dbraw/zinc/29/10/29/176291029.db2.gz VXFKWTGEVLNBPE-LLVKDONJSA-N 2 1 229.393 0.329 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000037482587 176291368 /nfs/dbraw/zinc/29/13/68/176291368.db2.gz RPMDZAIXHXCYIB-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@]1(C)C[NH3+] ZINC000335263649 176309969 /nfs/dbraw/zinc/30/99/69/176309969.db2.gz ZOPIQLAOTDCDQV-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309817444 176341467 /nfs/dbraw/zinc/34/14/67/176341467.db2.gz VPBGXECSIYZNEP-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309817444 176341468 /nfs/dbraw/zinc/34/14/68/176341468.db2.gz VPBGXECSIYZNEP-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309817446 176344088 /nfs/dbraw/zinc/34/40/88/176344088.db2.gz VPBGXECSIYZNEP-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309817446 176344090 /nfs/dbraw/zinc/34/40/90/176344090.db2.gz VPBGXECSIYZNEP-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCCC1 ZINC000131540393 176367700 /nfs/dbraw/zinc/36/77/00/176367700.db2.gz HBGKGIGWKWKCTE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCCCC1 ZINC000131540393 176367701 /nfs/dbraw/zinc/36/77/01/176367701.db2.gz HBGKGIGWKWKCTE-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000122355555 176368315 /nfs/dbraw/zinc/36/83/15/176368315.db2.gz JXSPLVRVMIBAHT-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)C1CC1 ZINC000122355555 176368317 /nfs/dbraw/zinc/36/83/17/176368317.db2.gz JXSPLVRVMIBAHT-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[N@H+]1C ZINC000132941507 176372401 /nfs/dbraw/zinc/37/24/01/176372401.db2.gz HTUDXGYCEJBVNO-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000309746376 176375877 /nfs/dbraw/zinc/37/58/77/176375877.db2.gz FRDLVZYGQVJFNL-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC000309746376 176375876 /nfs/dbraw/zinc/37/58/76/176375876.db2.gz FRDLVZYGQVJFNL-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CC[N@H+]1C ZINC000128006968 176376892 /nfs/dbraw/zinc/37/68/92/176376892.db2.gz KVBPCEXVAZSMFN-NEPJUHHUSA-N 2 1 222.336 0.955 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237509950 177075940 /nfs/dbraw/zinc/07/59/40/177075940.db2.gz GJXNVXFLCHEJFT-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000020179814 177097227 /nfs/dbraw/zinc/09/72/27/177097227.db2.gz CTXRXLFTEGDBCM-LBPRGKRZSA-N 2 1 211.353 0.624 20 0 BCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[NH3+])C1 ZINC000237574834 177097718 /nfs/dbraw/zinc/09/77/18/177097718.db2.gz AMGRDQSTTCMEAS-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336675089 177162608 /nfs/dbraw/zinc/16/26/08/177162608.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336675089 177162610 /nfs/dbraw/zinc/16/26/10/177162610.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675089 177162611 /nfs/dbraw/zinc/16/26/11/177162611.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675089 177162613 /nfs/dbraw/zinc/16/26/13/177162613.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H](C)[N@@H+]1C ZINC000335285707 177220128 /nfs/dbraw/zinc/22/01/28/177220128.db2.gz ROIMPOJKPRRCEW-AOOOYVTPSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696881 177232844 /nfs/dbraw/zinc/23/28/44/177232844.db2.gz ZSEQYQPJPCQJJA-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696881 177232845 /nfs/dbraw/zinc/23/28/45/177232845.db2.gz ZSEQYQPJPCQJJA-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000235307443 177233387 /nfs/dbraw/zinc/23/33/87/177233387.db2.gz UAUSAVAFGFJIHW-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000235307443 177233386 /nfs/dbraw/zinc/23/33/86/177233386.db2.gz UAUSAVAFGFJIHW-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1ccnn1 ZINC000346853840 177234540 /nfs/dbraw/zinc/23/45/40/177234540.db2.gz BECLACMLCCJGMF-NWDGAFQWSA-N 2 1 237.351 0.598 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875589 177237739 /nfs/dbraw/zinc/23/77/39/177237739.db2.gz MFPJCHPLBNWYDW-WDEREUQCSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)CN1C ZINC000352780017 177238305 /nfs/dbraw/zinc/23/83/05/177238305.db2.gz NOKOBPCFXUYQQI-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000352780017 177238307 /nfs/dbraw/zinc/23/83/07/177238307.db2.gz NOKOBPCFXUYQQI-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000352780017 177238311 /nfs/dbraw/zinc/23/83/11/177238311.db2.gz NOKOBPCFXUYQQI-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000352780017 177238313 /nfs/dbraw/zinc/23/83/13/177238313.db2.gz NOKOBPCFXUYQQI-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455407 177280302 /nfs/dbraw/zinc/28/03/02/177280302.db2.gz MHILTEGARHRASF-AEJSXWLSSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCCO ZINC000300418628 177330727 /nfs/dbraw/zinc/33/07/27/177330727.db2.gz YFBTWINERVPSMY-FRRDWIJNSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908620 177331755 /nfs/dbraw/zinc/33/17/55/177331755.db2.gz IOZAKVVUHSCGGL-LMLFDSFASA-N 2 1 200.326 0.686 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CC[N@H+]1C ZINC000128007190 177332794 /nfs/dbraw/zinc/33/27/94/177332794.db2.gz KVBPCEXVAZSMFN-RYUDHWBXSA-N 2 1 222.336 0.955 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336714018 177333585 /nfs/dbraw/zinc/33/35/85/177333585.db2.gz OYKXJKKCWVXPQC-WOPDTQHZSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336714018 177333587 /nfs/dbraw/zinc/33/35/87/177333587.db2.gz OYKXJKKCWVXPQC-WOPDTQHZSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358084532 177334469 /nfs/dbraw/zinc/33/44/69/177334469.db2.gz RRKHONOHMNEOPY-WOPDTQHZSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358084532 177334471 /nfs/dbraw/zinc/33/44/71/177334471.db2.gz RRKHONOHMNEOPY-WOPDTQHZSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000094647128 177395795 /nfs/dbraw/zinc/39/57/95/177395795.db2.gz QYDDSVYMUUHCKV-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383541194 487638993 /nfs/dbraw/zinc/63/89/93/487638993.db2.gz UJVBYCPGDVGSJO-STQMWFEESA-N 2 1 242.363 0.710 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000383566493 487640260 /nfs/dbraw/zinc/64/02/60/487640260.db2.gz BFEGSOKYICAOMD-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000383566493 487640264 /nfs/dbraw/zinc/64/02/64/487640264.db2.gz BFEGSOKYICAOMD-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000383566493 487640269 /nfs/dbraw/zinc/64/02/69/487640269.db2.gz BFEGSOKYICAOMD-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000383566493 487640271 /nfs/dbraw/zinc/64/02/71/487640271.db2.gz BFEGSOKYICAOMD-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1C ZINC000226011905 487643841 /nfs/dbraw/zinc/64/38/41/487643841.db2.gz MOMQOJJWXBHRNB-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+]1C ZINC000226011905 487643843 /nfs/dbraw/zinc/64/38/43/487643843.db2.gz MOMQOJJWXBHRNB-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP c1cn2c([nH+]1)C[C@@H](NC1=[NH+]CCCN1)CC2 ZINC000487496206 225307766 /nfs/dbraw/zinc/30/77/66/225307766.db2.gz HPNSTPBQYQLHJU-VIFPVBQESA-N 2 1 219.292 0.137 20 0 BCADMP C[C@H]1C[C@H]1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000488435814 225397029 /nfs/dbraw/zinc/39/70/29/225397029.db2.gz WERCMVUOHAXMPY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000383598911 487644908 /nfs/dbraw/zinc/64/49/08/487644908.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000383598911 487644914 /nfs/dbraw/zinc/64/49/14/487644914.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000383598911 487644921 /nfs/dbraw/zinc/64/49/21/487644921.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000493025393 226107628 /nfs/dbraw/zinc/10/76/28/226107628.db2.gz OPZRNBXRVFNHME-SREVYHEPSA-N 2 1 239.363 0.657 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+](C)C ZINC000494243994 226262846 /nfs/dbraw/zinc/26/28/46/226262846.db2.gz FTXRHBWFWJKGSB-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](NCC[NH+]1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000400330763 226340725 /nfs/dbraw/zinc/34/07/25/226340725.db2.gz BTMWQBFWUIEUOK-NWDGAFQWSA-N 2 1 243.420 0.765 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000668328957 487651601 /nfs/dbraw/zinc/65/16/01/487651601.db2.gz LCRCYZRCIGJONU-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000668328957 487651607 /nfs/dbraw/zinc/65/16/07/487651607.db2.gz LCRCYZRCIGJONU-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000383637284 487654110 /nfs/dbraw/zinc/65/41/10/487654110.db2.gz YOVVJYZEFYULMG-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000383659659 487658732 /nfs/dbraw/zinc/65/87/32/487658732.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000383659659 487658737 /nfs/dbraw/zinc/65/87/37/487658737.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000383660678 487658918 /nfs/dbraw/zinc/65/89/18/487658918.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000383660678 487658921 /nfs/dbraw/zinc/65/89/21/487658921.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000383660678 487658924 /nfs/dbraw/zinc/65/89/24/487658924.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000383660678 487658925 /nfs/dbraw/zinc/65/89/25/487658925.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCC[C@H]([NH3+])C1 ZINC000314070581 487659128 /nfs/dbraw/zinc/65/91/28/487659128.db2.gz WUPCIOQIKOBSMX-NSHDSACASA-N 2 1 222.336 0.776 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC)[C@H](C)C1 ZINC000383659659 487658726 /nfs/dbraw/zinc/65/87/26/487658726.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487659967 /nfs/dbraw/zinc/65/99/67/487659967.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487659975 /nfs/dbraw/zinc/65/99/75/487659975.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487659984 /nfs/dbraw/zinc/65/99/84/487659984.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000314440971 487686778 /nfs/dbraw/zinc/68/67/78/487686778.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 2 1 222.336 0.774 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000393784495 487687597 /nfs/dbraw/zinc/68/75/97/487687597.db2.gz WMSGTEOKSCVNIQ-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000393784495 487687601 /nfs/dbraw/zinc/68/76/01/487687601.db2.gz WMSGTEOKSCVNIQ-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP CCc1nc(NC[C@@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC000394759098 487710474 /nfs/dbraw/zinc/71/04/74/487710474.db2.gz KSMBPPKHEVEKOE-NSHDSACASA-N 2 1 249.362 0.663 20 0 BCADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000336691307 487718860 /nfs/dbraw/zinc/71/88/60/487718860.db2.gz PSSNNNYIHWDHMV-MNOVXSKESA-N 2 1 200.326 0.961 20 0 BCADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000336691308 487719092 /nfs/dbraw/zinc/71/90/92/487719092.db2.gz PSSNNNYIHWDHMV-QWRGUYRKSA-N 2 1 200.326 0.961 20 0 BCADMP CC[N@@H+](CCO)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000681108861 487728681 /nfs/dbraw/zinc/72/86/81/487728681.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108861 487728685 /nfs/dbraw/zinc/72/86/85/487728685.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108861 487728690 /nfs/dbraw/zinc/72/86/90/487728690.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 1 243.395 0.373 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000082772087 487730675 /nfs/dbraw/zinc/73/06/75/487730675.db2.gz RECYTSDSCMQXJJ-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399033 487734273 /nfs/dbraw/zinc/73/42/73/487734273.db2.gz ABJQLUIEUSCPPD-GXSJLCMTSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399514 487734547 /nfs/dbraw/zinc/73/45/47/487734547.db2.gz JMOQNJYSCPWOTJ-IUCAKERBSA-N 2 1 213.325 0.323 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403706 487734933 /nfs/dbraw/zinc/73/49/33/487734933.db2.gz HOZUDCICINUDKJ-IVZWLZJFSA-N 2 1 213.325 0.323 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CCO ZINC000042409297 487741571 /nfs/dbraw/zinc/74/15/71/487741571.db2.gz DMGKVQNLSYFSQX-NSHDSACASA-N 2 1 200.326 0.833 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357412277 487766878 /nfs/dbraw/zinc/76/68/78/487766878.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357412277 487766883 /nfs/dbraw/zinc/76/68/83/487766883.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357412277 487766875 /nfs/dbraw/zinc/76/68/75/487766875.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000662965776 487774779 /nfs/dbraw/zinc/77/47/79/487774779.db2.gz NVCNRWFCQFOBON-GARJFASQSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000300355306 487776730 /nfs/dbraw/zinc/77/67/30/487776730.db2.gz HKPWMHUNBGWCML-PWSUYJOCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000300355306 487776735 /nfs/dbraw/zinc/77/67/35/487776735.db2.gz HKPWMHUNBGWCML-PWSUYJOCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309211833 487780000 /nfs/dbraw/zinc/78/00/00/487780000.db2.gz SODDOZGTULRSPL-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780104 /nfs/dbraw/zinc/78/01/04/487780104.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780107 /nfs/dbraw/zinc/78/01/07/487780107.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780110 /nfs/dbraw/zinc/78/01/10/487780110.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780113 /nfs/dbraw/zinc/78/01/13/487780113.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 2 1 230.352 0.143 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251799403 487798421 /nfs/dbraw/zinc/79/84/21/487798421.db2.gz NZMRKIGNMPZRDQ-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251799403 487798426 /nfs/dbraw/zinc/79/84/26/487798426.db2.gz NZMRKIGNMPZRDQ-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862867 487803878 /nfs/dbraw/zinc/80/38/78/487803878.db2.gz SYUOJAKGDKADJN-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862867 487803883 /nfs/dbraw/zinc/80/38/83/487803883.db2.gz SYUOJAKGDKADJN-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)CC[N@H+]1C ZINC000156095150 487813375 /nfs/dbraw/zinc/81/33/75/487813375.db2.gz PEAUOWBMRUJLTF-JLLWLGSASA-N 2 1 212.337 0.830 20 0 BCADMP c1cn(CC[N@H+]2CC[C@@H](n3cncn3)C2)cn1 ZINC000681602831 487821502 /nfs/dbraw/zinc/82/15/02/487821502.db2.gz FBUXANBQFQUQMZ-LLVKDONJSA-N 2 1 232.291 0.422 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000252850700 487835526 /nfs/dbraw/zinc/83/55/26/487835526.db2.gz HRQKSDOHEWQJQU-UTLUCORTSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000252868025 487837049 /nfs/dbraw/zinc/83/70/49/487837049.db2.gz RGDVHDRTEMWEQT-VXGBXAGGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H](CO)[N@@H+](CCC[NH3+])CC1CCC1 ZINC000415111874 487838424 /nfs/dbraw/zinc/83/84/24/487838424.db2.gz UVECORGTVNIYDF-SNVBAGLBSA-N 2 1 200.326 0.818 20 0 BCADMP C[N@@H+](CCC[NH3+])C(C)(C)CN1CCOCC1 ZINC000415144656 487838974 /nfs/dbraw/zinc/83/89/74/487838974.db2.gz VRUPWFBEWFPPFW-UHFFFAOYSA-N 2 1 229.368 0.378 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC(F)F)C1 ZINC000852748277 588699607 /nfs/dbraw/zinc/69/96/07/588699607.db2.gz PFQWPNACGTUZKU-VIFPVBQESA-N 2 1 208.252 0.896 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666620268 487846093 /nfs/dbraw/zinc/84/60/93/487846093.db2.gz ZSGKUCXYTFNMJE-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594873981 487852295 /nfs/dbraw/zinc/85/22/95/487852295.db2.gz YIERJSQPLOCCGB-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP COC[C@H](C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000253131957 487856469 /nfs/dbraw/zinc/85/64/69/487856469.db2.gz WYJLEFROQKUZPN-VWYCJHECSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000253131957 487856474 /nfs/dbraw/zinc/85/64/74/487856474.db2.gz WYJLEFROQKUZPN-VWYCJHECSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)OC ZINC000234703147 487859842 /nfs/dbraw/zinc/85/98/42/487859842.db2.gz HNJBGWCCWDETKE-AXFHLTTASA-N 2 1 216.325 0.459 20 0 BCADMP CNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000682077570 487902751 /nfs/dbraw/zinc/90/27/51/487902751.db2.gz YXSNFBASKCPFOH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000682077570 487902755 /nfs/dbraw/zinc/90/27/55/487902755.db2.gz YXSNFBASKCPFOH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000682077570 487902762 /nfs/dbraw/zinc/90/27/62/487902762.db2.gz YXSNFBASKCPFOH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000682077570 487902766 /nfs/dbraw/zinc/90/27/66/487902766.db2.gz YXSNFBASKCPFOH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000083351451 487906392 /nfs/dbraw/zinc/90/63/92/487906392.db2.gz DAZFQOIHMBTANZ-UHFFFAOYSA-N 2 1 221.304 0.559 20 0 BCADMP CN1CC(C[N@@H+](C)Cc2cncn2C)C1 ZINC000668539907 487906757 /nfs/dbraw/zinc/90/67/57/487906757.db2.gz POBVSXXKZQOCDE-UHFFFAOYSA-N 2 1 208.309 0.414 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907555 /nfs/dbraw/zinc/90/75/55/487907555.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 2 1 240.347 0.020 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907558 /nfs/dbraw/zinc/90/75/58/487907558.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907562 /nfs/dbraw/zinc/90/75/62/487907562.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907566 /nfs/dbraw/zinc/90/75/66/487907566.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 2 1 240.347 0.020 20 0 BCADMP C[C@H](CNC(=O)NC[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000669462779 487909951 /nfs/dbraw/zinc/90/99/51/487909951.db2.gz FQKHNRIEGSQXEY-DTWKUNHWSA-N 2 1 228.340 0.116 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157849934 487927135 /nfs/dbraw/zinc/92/71/35/487927135.db2.gz UDPUGIAJTPPTKU-GHMZBOCLSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH2+]CCN(C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417550316 487935183 /nfs/dbraw/zinc/93/51/83/487935183.db2.gz KZGFMTXNNRLKOE-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP [NH3+]CCCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000569574405 322970821 /nfs/dbraw/zinc/97/08/21/322970821.db2.gz BHUSAIIOEGDWIR-QMMMGPOBSA-N 2 1 235.278 0.086 20 0 BCADMP CC[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000126284228 323003272 /nfs/dbraw/zinc/00/32/72/323003272.db2.gz IYQAOFACFMDNJJ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP COC[C@H](O)C[NH2+]CCCCn1cc[nH+]c1C ZINC000564723510 323008252 /nfs/dbraw/zinc/00/82/52/323008252.db2.gz LOWCJOODMLFTGJ-GFCCVEGCSA-N 2 1 241.335 0.569 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000151622862 323020807 /nfs/dbraw/zinc/02/08/07/323020807.db2.gz UMGBZDAYLGPQFX-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CON1CCC([N@@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000566914861 323025572 /nfs/dbraw/zinc/02/55/72/323025572.db2.gz BMSSNXFBXVZHFL-CYBMUJFWSA-N 2 1 241.379 0.944 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397252283 323038480 /nfs/dbraw/zinc/03/84/80/323038480.db2.gz DAGZRZMUYRSAAU-VWYCJHECSA-N 2 1 200.326 0.938 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569727845 323039126 /nfs/dbraw/zinc/03/91/26/323039126.db2.gz UVVJLZQVQLDAPO-ZJUUUORDSA-N 2 1 215.341 0.569 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000569938104 323044939 /nfs/dbraw/zinc/04/49/39/323044939.db2.gz SFWJSRACXGTVNB-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000569928298 323045041 /nfs/dbraw/zinc/04/50/41/323045041.db2.gz COTYTQLPZJHWNQ-SNVBAGLBSA-N 2 1 214.309 0.481 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215767 323053427 /nfs/dbraw/zinc/05/34/27/323053427.db2.gz KXVWDRMPGHZFKP-JTQLQIEISA-N 2 1 225.336 0.054 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444882 323059593 /nfs/dbraw/zinc/05/95/93/323059593.db2.gz ZDBBOQGQOSPDMQ-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444883 323059627 /nfs/dbraw/zinc/05/96/27/323059627.db2.gz ZDBBOQGQOSPDMQ-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CNC(=O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000570579289 323063642 /nfs/dbraw/zinc/06/36/42/323063642.db2.gz IHMUXKOEQYVQGT-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC1(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000570927447 323074384 /nfs/dbraw/zinc/07/43/84/323074384.db2.gz AOWDQDHOTWZFBV-LBPRGKRZSA-N 2 1 223.364 0.766 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000567814855 323087452 /nfs/dbraw/zinc/08/74/52/323087452.db2.gz GLEJUOQFWKUOGI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000563116085 323093394 /nfs/dbraw/zinc/09/33/94/323093394.db2.gz XWNNCOMKAFJHEN-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+]Cc1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000563118439 323093788 /nfs/dbraw/zinc/09/37/88/323093788.db2.gz YHNZALKBZDSIJP-UHFFFAOYSA-N 2 1 224.308 0.980 20 0 BCADMP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000563142866 323095234 /nfs/dbraw/zinc/09/52/34/323095234.db2.gz QHFJXXLKIIYDQK-GUBZILKMSA-N 2 1 243.376 0.153 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOC[C@H]1CCCO1 ZINC000563152449 323095740 /nfs/dbraw/zinc/09/57/40/323095740.db2.gz ZUGARRMYLRFVDK-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000563209037 323102024 /nfs/dbraw/zinc/10/20/24/323102024.db2.gz LBOZZGDERLQWAJ-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cncn1C ZINC000401651734 323105122 /nfs/dbraw/zinc/10/51/22/323105122.db2.gz QIIMSLKCPGIWID-WCQYABFASA-N 2 1 236.363 0.892 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)COC)[C@H](C)C1 ZINC000531711377 323112009 /nfs/dbraw/zinc/11/20/09/323112009.db2.gz VPRHVFXNIMMSFP-FRRDWIJNSA-N 2 1 244.379 0.704 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC000245686586 323122161 /nfs/dbraw/zinc/12/21/61/323122161.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309963882 323122684 /nfs/dbraw/zinc/12/26/84/323122684.db2.gz MPESRQUVRXMVRP-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571106576 323135731 /nfs/dbraw/zinc/13/57/31/323135731.db2.gz KFNGEANNPPANDH-IVZWLZJFSA-N 2 1 211.309 0.029 20 0 BCADMP [NH3+]CC[C@H](NC(=O)CC(F)(F)C[NH3+])C(F)F ZINC000571412921 323144308 /nfs/dbraw/zinc/14/43/08/323144308.db2.gz MCESSVPHBWEMBJ-YFKPBYRVSA-N 2 1 245.220 0.069 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)C ZINC000308478285 323174880 /nfs/dbraw/zinc/17/48/80/323174880.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 2 1 202.342 0.887 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)C ZINC000308478285 323174881 /nfs/dbraw/zinc/17/48/81/323174881.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 2 1 202.342 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)C ZINC000308478285 323174882 /nfs/dbraw/zinc/17/48/82/323174882.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 2 1 202.342 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)C ZINC000308478285 323174883 /nfs/dbraw/zinc/17/48/83/323174883.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 2 1 202.342 0.887 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308984117 323183472 /nfs/dbraw/zinc/18/34/72/323183472.db2.gz GAOBHQADWPXZIJ-ZJUUUORDSA-N 2 1 212.293 0.091 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000535824949 323192588 /nfs/dbraw/zinc/19/25/88/323192588.db2.gz RCCSDGMZGLJANH-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000535824949 323192589 /nfs/dbraw/zinc/19/25/89/323192589.db2.gz RCCSDGMZGLJANH-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000535824949 323192590 /nfs/dbraw/zinc/19/25/90/323192590.db2.gz RCCSDGMZGLJANH-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP CCn1nncc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000530207783 323209401 /nfs/dbraw/zinc/20/94/01/323209401.db2.gz GCZIMQLMNJKFDS-DTWKUNHWSA-N 2 1 211.313 0.513 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)CC1(CO)COC1 ZINC000532479500 323270075 /nfs/dbraw/zinc/27/00/75/323270075.db2.gz XEEGOULQUZITQV-UHFFFAOYSA-N 2 1 242.363 0.413 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)CC1(CO)COC1 ZINC000532479500 323270077 /nfs/dbraw/zinc/27/00/77/323270077.db2.gz XEEGOULQUZITQV-UHFFFAOYSA-N 2 1 242.363 0.413 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385422 323365317 /nfs/dbraw/zinc/36/53/17/323365317.db2.gz DYRNIHRUCHXDMV-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385422 323365319 /nfs/dbraw/zinc/36/53/19/323365319.db2.gz DYRNIHRUCHXDMV-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C[C@H]1C[NH3+] ZINC000571935994 323505357 /nfs/dbraw/zinc/50/53/57/323505357.db2.gz RNWMMUIDTSNCPS-RKDXNWHRSA-N 2 1 249.305 0.414 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000572257672 323580362 /nfs/dbraw/zinc/58/03/62/323580362.db2.gz ZUMGEDRHPCNBAR-JHJVBQTASA-N 3 1 241.379 0.303 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1C)C1CC1 ZINC000152560397 324186587 /nfs/dbraw/zinc/18/65/87/324186587.db2.gz RISHUZJAIBXBPG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000152560397 324186593 /nfs/dbraw/zinc/18/65/93/324186593.db2.gz RISHUZJAIBXBPG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000152560397 324186598 /nfs/dbraw/zinc/18/65/98/324186598.db2.gz RISHUZJAIBXBPG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023899 324223134 /nfs/dbraw/zinc/22/31/34/324223134.db2.gz MBDZZULCUKOODP-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220379 324537967 /nfs/dbraw/zinc/53/79/67/324537967.db2.gz NTCHYVXUWMFALA-IUCAKERBSA-N 2 1 211.309 0.125 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913534 487965578 /nfs/dbraw/zinc/96/55/78/487965578.db2.gz TWFQFRQWHHGTFX-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130601771 325071864 /nfs/dbraw/zinc/07/18/64/325071864.db2.gz IAVMYAIXWWZNCE-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669477901 487967160 /nfs/dbraw/zinc/96/71/60/487967160.db2.gz GNVPWEDJWQFTMW-AATRIKPKSA-N 2 1 242.367 0.532 20 0 BCADMP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCCC1 ZINC000545159442 325180755 /nfs/dbraw/zinc/18/07/55/325180755.db2.gz KNTFRWMOJBBKDZ-UHFFFAOYSA-N 2 1 234.303 0.110 20 0 BCADMP C[N@@H+]1CC=C(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000545164195 325181664 /nfs/dbraw/zinc/18/16/64/325181664.db2.gz QIXJZLCZMOYMPI-UHFFFAOYSA-N 2 1 246.314 0.276 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000131808505 325185677 /nfs/dbraw/zinc/18/56/77/325185677.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000131808505 325185680 /nfs/dbraw/zinc/18/56/80/325185680.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000131808505 325185684 /nfs/dbraw/zinc/18/56/84/325185684.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133595349 325302985 /nfs/dbraw/zinc/30/29/85/325302985.db2.gz PZYCDUMWFBQZLA-LLVKDONJSA-N 2 1 244.383 0.578 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669477954 487969699 /nfs/dbraw/zinc/96/96/99/487969699.db2.gz GZBVJSROIVWJFG-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637529 487970044 /nfs/dbraw/zinc/97/00/44/487970044.db2.gz RNIOBQQSIHGYID-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158639284 487969867 /nfs/dbraw/zinc/96/98/67/487969867.db2.gz JLIZYVNVYCTDJS-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565150887 325862717 /nfs/dbraw/zinc/86/27/17/325862717.db2.gz MLEFNPWOPKTYRY-BDAKNGLRSA-N 2 1 247.289 0.038 20 0 BCADMP C[NH2+]CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000566203670 326012406 /nfs/dbraw/zinc/01/24/06/326012406.db2.gz ZQDUPURMQSCFMA-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566244390 326021615 /nfs/dbraw/zinc/02/16/15/326021615.db2.gz YCIOWYXUFCWCDF-TUAOUCFPSA-N 3 1 227.352 0.021 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245124 326021653 /nfs/dbraw/zinc/02/16/53/326021653.db2.gz DGSXYOYPMUGNKE-SRVKXCTJSA-N 2 1 237.347 0.196 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566244388 326021687 /nfs/dbraw/zinc/02/16/87/326021687.db2.gz YCIOWYXUFCWCDF-SDDRHHMPSA-N 3 1 227.352 0.021 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245127 326021902 /nfs/dbraw/zinc/02/19/02/326021902.db2.gz DGSXYOYPMUGNKE-WOPDTQHZSA-N 2 1 237.347 0.196 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000566292337 326029651 /nfs/dbraw/zinc/02/96/51/326029651.db2.gz PSXJXERQPRRPMZ-PHIMTYICSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000566491381 326058020 /nfs/dbraw/zinc/05/80/20/326058020.db2.gz SOCGYPOKWCGMNB-OLZOCXBDSA-N 2 1 245.326 0.430 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000566491381 326058023 /nfs/dbraw/zinc/05/80/23/326058023.db2.gz SOCGYPOKWCGMNB-OLZOCXBDSA-N 2 1 245.326 0.430 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739980 326079030 /nfs/dbraw/zinc/07/90/30/326079030.db2.gz LASWGRCEEFISKT-UXCLJVHYSA-N 2 1 237.347 0.323 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000310410435 326191881 /nfs/dbraw/zinc/19/18/81/326191881.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000310410435 326191883 /nfs/dbraw/zinc/19/18/83/326191883.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000310410435 326191886 /nfs/dbraw/zinc/19/18/86/326191886.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000310410435 326191888 /nfs/dbraw/zinc/19/18/88/326191888.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000567505065 326206497 /nfs/dbraw/zinc/20/64/97/326206497.db2.gz LFXSQZYDIZCPQQ-GMTAPVOTSA-N 2 1 227.352 0.428 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000567733530 326252877 /nfs/dbraw/zinc/25/28/77/326252877.db2.gz HUZBEPUHAXGNLF-CHWSQXEVSA-N 2 1 242.363 0.863 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000567811712 326261541 /nfs/dbraw/zinc/26/15/41/326261541.db2.gz AZPLPOHBHYXZFP-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349203 326264085 /nfs/dbraw/zinc/26/40/85/326264085.db2.gz LLPAAIZVDDVYRB-XQQFMLRXSA-N 2 1 242.363 0.587 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000567873342 326274384 /nfs/dbraw/zinc/27/43/84/326274384.db2.gz SNIDWNKOEMJOCO-QJPTWQEYSA-N 2 1 230.352 0.192 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567914674 326282919 /nfs/dbraw/zinc/28/29/19/326282919.db2.gz DVDKLIIBKNDGLO-DTWKUNHWSA-N 2 1 247.289 0.194 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CCC[NH3+])C1 ZINC000567982571 326290939 /nfs/dbraw/zinc/29/09/39/326290939.db2.gz BMSOQPTZTUQZJC-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])CC[N@H+]1C ZINC000157876659 326298987 /nfs/dbraw/zinc/29/89/87/326298987.db2.gz MLPBAVRJPGXXPH-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)[NH+](C)C ZINC000158276577 326314838 /nfs/dbraw/zinc/31/48/38/326314838.db2.gz FVUQJBHQWRSMFF-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000568208022 326326329 /nfs/dbraw/zinc/32/63/29/326326329.db2.gz SDGRNJNBQVTZJQ-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531755 326326990 /nfs/dbraw/zinc/32/69/90/326326990.db2.gz XLJGAGCAHJFARF-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000568247392 326333750 /nfs/dbraw/zinc/33/37/50/326333750.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248573 326334349 /nfs/dbraw/zinc/33/43/49/326334349.db2.gz VDIBVYJGADDZHJ-KXNHARMFSA-N 3 1 211.353 0.844 20 0 BCADMP [NH3+]C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000568632741 326369320 /nfs/dbraw/zinc/36/93/20/326369320.db2.gz ZOZVNJVFNCVUHD-LBPRGKRZSA-N 2 1 228.336 0.605 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000568747760 326374804 /nfs/dbraw/zinc/37/48/04/326374804.db2.gz MGPLAEDULRTXIL-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000568760725 326375525 /nfs/dbraw/zinc/37/55/25/326375525.db2.gz XGUPEWLCPJQBDV-ZETCQYMHSA-N 2 1 242.348 0.315 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000568869400 326380457 /nfs/dbraw/zinc/38/04/57/326380457.db2.gz ZMLYDHBTEYQVGX-GARJFASQSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(F)(F)C[NH3+] ZINC000568982427 326384406 /nfs/dbraw/zinc/38/44/06/326384406.db2.gz XYVMNQDFSIFQBP-NKWVEPMBSA-N 2 1 238.282 0.005 20 0 BCADMP C[NH2+]Cc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000569222474 326395852 /nfs/dbraw/zinc/39/58/52/326395852.db2.gz YKKPNYWDIQGVRK-UHFFFAOYSA-N 2 1 218.260 0.915 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000569243777 326397611 /nfs/dbraw/zinc/39/76/11/326397611.db2.gz NBXVIIVOHKSLFY-JTQLQIEISA-N 2 1 243.326 0.275 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000573206665 326435391 /nfs/dbraw/zinc/43/53/91/326435391.db2.gz ITBUKRIOQXRQEI-NSHDSACASA-N 2 1 237.303 0.160 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])C[C@@]1(C)C[NH3+] ZINC000573262479 326438476 /nfs/dbraw/zinc/43/84/76/326438476.db2.gz HGUKCYFAURAGOW-PSASIEDQSA-N 2 1 249.305 0.414 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)[NH+](C)C ZINC000677182362 487992731 /nfs/dbraw/zinc/99/27/31/487992731.db2.gz FYMNVDQEHAAIPN-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)[NH+](C)C ZINC000677182362 487992734 /nfs/dbraw/zinc/99/27/34/487992734.db2.gz FYMNVDQEHAAIPN-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000677182839 487993448 /nfs/dbraw/zinc/99/34/48/487993448.db2.gz MKRDGFQRFDRVQQ-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000677182839 487993453 /nfs/dbraw/zinc/99/34/53/487993453.db2.gz MKRDGFQRFDRVQQ-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000677182839 487993464 /nfs/dbraw/zinc/99/34/64/487993464.db2.gz MKRDGFQRFDRVQQ-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000677182839 487993469 /nfs/dbraw/zinc/99/34/69/487993469.db2.gz MKRDGFQRFDRVQQ-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](CO)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000121050767 490074556 /nfs/dbraw/zinc/07/45/56/490074556.db2.gz OJXVBVFQBFWOGZ-QWHCGFSZSA-N 2 1 242.363 0.269 20 0 BCADMP C[C@@H](CO)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000121050937 490074585 /nfs/dbraw/zinc/07/45/85/490074585.db2.gz OJXVBVFQBFWOGZ-CHWSQXEVSA-N 2 1 242.363 0.269 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147448436 488024219 /nfs/dbraw/zinc/02/42/19/488024219.db2.gz OINJYCLZCVBJOR-UTLUCORTSA-N 2 1 213.325 0.310 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147448436 488024224 /nfs/dbraw/zinc/02/42/24/488024224.db2.gz OINJYCLZCVBJOR-UTLUCORTSA-N 2 1 213.325 0.310 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033940 /nfs/dbraw/zinc/03/39/40/488033940.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033947 /nfs/dbraw/zinc/03/39/47/488033947.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033957 /nfs/dbraw/zinc/03/39/57/488033957.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033960 /nfs/dbraw/zinc/03/39/60/488033960.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 2 1 230.352 0.000 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000235484543 488061986 /nfs/dbraw/zinc/06/19/86/488061986.db2.gz TWKJCGDIAOIBMA-GUBZILKMSA-N 2 1 213.325 0.180 20 0 BCADMP Cc1[nH+]cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)n1C ZINC000667645944 488069970 /nfs/dbraw/zinc/06/99/70/488069970.db2.gz DRZOUAGICZFPLL-WCQYABFASA-N 2 1 234.347 0.912 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000257676049 488079350 /nfs/dbraw/zinc/07/93/50/488079350.db2.gz HSFQVGMRDAOIRD-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C)C1 ZINC000389156811 488079796 /nfs/dbraw/zinc/07/97/96/488079796.db2.gz KWGWBFOESXHHHQ-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC)C1 ZINC000389195345 488080570 /nfs/dbraw/zinc/08/05/70/488080570.db2.gz WZSUXHSHJBFXHA-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C1CCC1)C1CC1 ZINC000661152653 488081021 /nfs/dbraw/zinc/08/10/21/488081021.db2.gz GJTNSEBQYYBTIV-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C1CCC1)C1CC1 ZINC000661152653 488081028 /nfs/dbraw/zinc/08/10/28/488081028.db2.gz GJTNSEBQYYBTIV-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C1CCC1)C1CC1 ZINC000661152652 488081059 /nfs/dbraw/zinc/08/10/59/488081059.db2.gz GJTNSEBQYYBTIV-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C1CCC1)C1CC1 ZINC000661152652 488081062 /nfs/dbraw/zinc/08/10/62/488081062.db2.gz GJTNSEBQYYBTIV-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257692118 488082572 /nfs/dbraw/zinc/08/25/72/488082572.db2.gz LZZCRSPUAOHUBZ-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000257702543 488084862 /nfs/dbraw/zinc/08/48/62/488084862.db2.gz ONZMFAQDVNMUSH-GRYCIOLGSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000257707386 488084718 /nfs/dbraw/zinc/08/47/18/488084718.db2.gz PSVHNFKJOLCMMG-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCC1=O ZINC000257792348 488088880 /nfs/dbraw/zinc/08/88/80/488088880.db2.gz QGJQBMGYGQEGKK-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000389475867 488098447 /nfs/dbraw/zinc/09/84/47/488098447.db2.gz WFBMILZIBYSXJA-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650362 488104825 /nfs/dbraw/zinc/10/48/25/488104825.db2.gz NYSKIYLVBYFXED-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715619 488108588 /nfs/dbraw/zinc/10/85/88/488108588.db2.gz GKPHVWFXSWIWBY-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000389752373 488109325 /nfs/dbraw/zinc/10/93/25/488109325.db2.gz QGMSMRGFZVFNQO-SNVBAGLBSA-N 2 1 248.330 0.708 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000389752373 488109331 /nfs/dbraw/zinc/10/93/31/488109331.db2.gz QGMSMRGFZVFNQO-SNVBAGLBSA-N 2 1 248.330 0.708 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000389800313 488112056 /nfs/dbraw/zinc/11/20/56/488112056.db2.gz AEGGWRCVODWUQI-MWLCHTKSSA-N 2 1 223.324 0.422 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669512475 488118966 /nfs/dbraw/zinc/11/89/66/488118966.db2.gz DHPLEJFAYHXRGK-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000674264557 487541059 /nfs/dbraw/zinc/54/10/59/487541059.db2.gz YSKJTJBSNKTCCG-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297041 487544206 /nfs/dbraw/zinc/54/42/06/487544206.db2.gz YIAJXGQXLJIFQT-RYUDHWBXSA-N 2 1 235.335 0.210 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288556 487544548 /nfs/dbraw/zinc/54/45/48/487544548.db2.gz GHEKWEWLIBUUKE-DCAQKATOSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288646 487549592 /nfs/dbraw/zinc/54/95/92/487549592.db2.gz GYZDJBLWVRFVIG-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000674288452 487549743 /nfs/dbraw/zinc/54/97/43/487549743.db2.gz ATOXWWMCQZGJID-GRYCIOLGSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000674288454 487549529 /nfs/dbraw/zinc/54/95/29/487549529.db2.gz ATOXWWMCQZGJID-SRVKXCTJSA-N 2 1 241.379 0.735 20 0 BCADMP OCCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703805 487533259 /nfs/dbraw/zinc/53/32/59/487533259.db2.gz BXOCRXRCZUKLNA-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237539778 487482365 /nfs/dbraw/zinc/48/23/65/487482365.db2.gz RIAGQNPMJIUTBD-VHSXEESVSA-N 2 1 239.363 0.855 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657975134 487501790 /nfs/dbraw/zinc/50/17/90/487501790.db2.gz XYTYZKPOOOBAHS-VXGBXAGGSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657975134 487501792 /nfs/dbraw/zinc/50/17/92/487501792.db2.gz XYTYZKPOOOBAHS-VXGBXAGGSA-N 2 1 244.404 0.928 20 0 BCADMP CCO[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435538 487507011 /nfs/dbraw/zinc/50/70/11/487507011.db2.gz JHPBZIDWLPDMCS-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808880 487508492 /nfs/dbraw/zinc/50/84/92/487508492.db2.gz QNXVJQNQPJJPIU-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccnn1C ZINC000230775537 488156671 /nfs/dbraw/zinc/15/66/71/488156671.db2.gz BOXPYVJGXXTONR-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000404445395 488161151 /nfs/dbraw/zinc/16/11/51/488161151.db2.gz JOMKYWSBCVNHEJ-ZYHUDNBSSA-N 2 1 237.351 0.905 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085365061 488163474 /nfs/dbraw/zinc/16/34/74/488163474.db2.gz NRNQIYXRAOIHOW-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673742 488168231 /nfs/dbraw/zinc/16/82/31/488168231.db2.gz KZCLDQFRMIIBEI-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP COC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554998988 487766738 /nfs/dbraw/zinc/76/67/38/487766738.db2.gz YJVFSAGWGVDKLX-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475016 488015986 /nfs/dbraw/zinc/01/59/86/488015986.db2.gz OZCXQRWBAXDSQT-UWVGGRQHSA-N 2 1 200.326 0.593 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403140655 488116022 /nfs/dbraw/zinc/11/60/22/488116022.db2.gz CZEHFZNSZYKZBT-WRWGMCAJSA-N 2 1 212.337 0.674 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000670402348 488143772 /nfs/dbraw/zinc/14/37/72/488143772.db2.gz WABSWPHRDCGUDJ-UHFFFAOYSA-N 2 1 227.352 0.535 20 0 BCADMP CC[N@@H+](CC(=O)NC1CC([NH+](C)C)C1)C1CC1 ZINC000670402305 488144018 /nfs/dbraw/zinc/14/40/18/488144018.db2.gz UFLSPMDTIHJSEM-UHFFFAOYSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000237333299 488149069 /nfs/dbraw/zinc/14/90/69/488149069.db2.gz BMQPYRPJLZHKDQ-SSDOTTSWSA-N 2 1 242.348 0.187 20 0 BCADMP O[C@@H]1CCCC[C@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283241 488156002 /nfs/dbraw/zinc/15/60/02/488156002.db2.gz WSPNSQQOVLXHKX-WRWGMCAJSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccnn1C ZINC000230775481 488156859 /nfs/dbraw/zinc/15/68/59/488156859.db2.gz SDCQFIXMFUBVLV-MNOVXSKESA-N 2 1 222.336 0.774 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677974107 488167700 /nfs/dbraw/zinc/16/77/00/488167700.db2.gz DYPXJRJTGKGGEX-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677974113 488167767 /nfs/dbraw/zinc/16/77/67/488167767.db2.gz DYPXJRJTGKGGEX-WOPDTQHZSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000380042023 488169154 /nfs/dbraw/zinc/16/91/54/488169154.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CO ZINC000380042023 488169158 /nfs/dbraw/zinc/16/91/58/488169158.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CO ZINC000380042023 488169161 /nfs/dbraw/zinc/16/91/61/488169161.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 2 1 218.341 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CO ZINC000380042023 488169166 /nfs/dbraw/zinc/16/91/66/488169166.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 2 1 218.341 0.000 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167528042 488176021 /nfs/dbraw/zinc/17/60/21/488176021.db2.gz XPYQBTPMGIMFMN-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399089766 488176467 /nfs/dbraw/zinc/17/64/67/488176467.db2.gz WAKFPZNNVJBETD-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000669528890 488176529 /nfs/dbraw/zinc/17/65/29/488176529.db2.gz PPVRYQHALLWSKT-WCABBAIRSA-N 2 1 240.351 0.116 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990838 488178587 /nfs/dbraw/zinc/17/85/87/488178587.db2.gz YOZZOPIXQGNBKS-XQQFMLRXSA-N 2 1 240.347 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990838 488178591 /nfs/dbraw/zinc/17/85/91/488178591.db2.gz YOZZOPIXQGNBKS-XQQFMLRXSA-N 2 1 240.347 0.210 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000167786419 488187675 /nfs/dbraw/zinc/18/76/75/488187675.db2.gz DIQPVAQWDDUPCS-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000167786419 488187677 /nfs/dbraw/zinc/18/76/77/488187677.db2.gz DIQPVAQWDDUPCS-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000398051520 488197727 /nfs/dbraw/zinc/19/77/27/488197727.db2.gz DNTYCZABSOMGKO-MNOVXSKESA-N 2 1 237.347 0.611 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398099976 488210681 /nfs/dbraw/zinc/21/06/81/488210681.db2.gz HIJRTVIVVJNYCL-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398110615 488211219 /nfs/dbraw/zinc/21/12/19/488211219.db2.gz YIWSYCCKPAYPDM-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227899 /nfs/dbraw/zinc/22/78/99/488227899.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227903 /nfs/dbraw/zinc/22/79/03/488227903.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227906 /nfs/dbraw/zinc/22/79/06/488227906.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227908 /nfs/dbraw/zinc/22/79/08/488227908.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227911 /nfs/dbraw/zinc/22/79/11/488227911.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399220370 488227913 /nfs/dbraw/zinc/22/79/13/488227913.db2.gz ITEBPYMQMPMSNV-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000678343267 488243384 /nfs/dbraw/zinc/24/33/84/488243384.db2.gz OXOKDWALTUYILM-CHWSQXEVSA-N 2 1 246.358 0.799 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000672320681 488250734 /nfs/dbraw/zinc/25/07/34/488250734.db2.gz PNLQVFDCHBAVNV-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000672516604 488257728 /nfs/dbraw/zinc/25/77/28/488257728.db2.gz GLEBCSQXDXPQPC-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000078750359 490058341 /nfs/dbraw/zinc/05/83/41/490058341.db2.gz BQRXSRYVKLZASY-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382862345 490138705 /nfs/dbraw/zinc/13/87/05/490138705.db2.gz MVHZEWNSAJOUDN-NWDGAFQWSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382862345 490138708 /nfs/dbraw/zinc/13/87/08/490138708.db2.gz MVHZEWNSAJOUDN-NWDGAFQWSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382862345 490138714 /nfs/dbraw/zinc/13/87/14/490138714.db2.gz MVHZEWNSAJOUDN-NWDGAFQWSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382862344 490139006 /nfs/dbraw/zinc/13/90/06/490139006.db2.gz MVHZEWNSAJOUDN-NEPJUHHUSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382862344 490139008 /nfs/dbraw/zinc/13/90/08/490139008.db2.gz MVHZEWNSAJOUDN-NEPJUHHUSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382862344 490139015 /nfs/dbraw/zinc/13/90/15/490139015.db2.gz MVHZEWNSAJOUDN-NEPJUHHUSA-N 2 1 246.395 0.779 20 0 BCADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078700887 490219302 /nfs/dbraw/zinc/21/93/02/490219302.db2.gz HZLXWCZQDBMSQI-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000078737515 490222854 /nfs/dbraw/zinc/22/28/54/490222854.db2.gz ZHALUDOHGANDFR-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000082303496 490341645 /nfs/dbraw/zinc/34/16/45/490341645.db2.gz DQUCYZHBPLTXLR-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000082303496 490341651 /nfs/dbraw/zinc/34/16/51/490341651.db2.gz DQUCYZHBPLTXLR-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP CC[C@@H]([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000229942612 490368728 /nfs/dbraw/zinc/36/87/28/490368728.db2.gz NHPXHQZWDIGKAM-SNVBAGLBSA-N 2 1 234.307 0.893 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491849944 491080885 /nfs/dbraw/zinc/08/08/85/491080885.db2.gz XALZESZJGYBWOV-PGLGOXFNSA-N 2 1 237.347 0.457 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705118 491084629 /nfs/dbraw/zinc/08/46/29/491084629.db2.gz SVKKFSHAKHBAEA-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705118 491084631 /nfs/dbraw/zinc/08/46/31/491084631.db2.gz SVKKFSHAKHBAEA-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705118 491084633 /nfs/dbraw/zinc/08/46/33/491084633.db2.gz SVKKFSHAKHBAEA-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705118 491084634 /nfs/dbraw/zinc/08/46/34/491084634.db2.gz SVKKFSHAKHBAEA-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000496825542 533947234 /nfs/dbraw/zinc/94/72/34/533947234.db2.gz BMMIHCTZWMKUBB-JTQLQIEISA-N 2 1 227.308 0.169 20 0 BCADMP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400768841 534065324 /nfs/dbraw/zinc/06/53/24/534065324.db2.gz ZSBUBHFNCMYSGA-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400768845 534067173 /nfs/dbraw/zinc/06/71/73/534067173.db2.gz ZSBUBHFNCMYSGA-JHJVBQTASA-N 2 1 241.379 0.437 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344393 535955101 /nfs/dbraw/zinc/95/51/01/535955101.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000891985788 582753564 /nfs/dbraw/zinc/75/35/64/582753564.db2.gz KBVLVSZMSZCTDT-MNOVXSKESA-N 2 1 240.351 0.071 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000309259289 517436746 /nfs/dbraw/zinc/43/67/46/517436746.db2.gz CYRANKPDDBFXBP-MRVPVSSYSA-N 2 1 237.294 0.425 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000261536377 536181283 /nfs/dbraw/zinc/18/12/83/536181283.db2.gz RMFQXZFQGKZBBP-LBPRGKRZSA-N 2 1 211.353 0.609 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000227609600 536344391 /nfs/dbraw/zinc/34/43/91/536344391.db2.gz BJFYIDMCJBKPGU-QMMMGPOBSA-N 2 1 208.252 0.296 20 0 BCADMP CCNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020482 582828169 /nfs/dbraw/zinc/82/81/69/582828169.db2.gz WCXPTBKRSDTPMQ-QMMMGPOBSA-N 2 1 207.281 0.332 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)/C=C\C[NH+](C)C ZINC000493210497 534774522 /nfs/dbraw/zinc/77/45/22/534774522.db2.gz VYERMUFWUCOPKZ-PLNGDYQASA-N 2 1 236.319 0.426 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261552412 536441249 /nfs/dbraw/zinc/44/12/49/536441249.db2.gz RJZZNEZGHVSIBX-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000493937166 528344766 /nfs/dbraw/zinc/34/47/66/528344766.db2.gz NZAVLNHSGDTWOD-WDEREUQCSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493171905 528981712 /nfs/dbraw/zinc/98/17/12/528981712.db2.gz OEIUFURPSYPFKO-WAYWQWQTSA-N 2 1 225.336 0.313 20 0 BCADMP CC[N@H+]1CCN(C(=O)/C=C\C[NH+](C)C)[C@H](C)C1 ZINC000492808031 529108373 /nfs/dbraw/zinc/10/83/73/529108373.db2.gz ZDAOFVYGRLKDEF-ZHRWSRJISA-N 2 1 239.363 0.657 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261858865 534980761 /nfs/dbraw/zinc/98/07/61/534980761.db2.gz SCLVOBCVOWHYPG-DGCLKSJQSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261858865 534980767 /nfs/dbraw/zinc/98/07/67/534980767.db2.gz SCLVOBCVOWHYPG-DGCLKSJQSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805861 535059576 /nfs/dbraw/zinc/05/95/76/535059576.db2.gz ZAMSGQAZDDQKKC-SRVKXCTJSA-N 2 1 239.363 0.713 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261548852 535068364 /nfs/dbraw/zinc/06/83/64/535068364.db2.gz JWICRIUSJCMRTG-UHFFFAOYSA-N 2 1 239.363 0.588 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342754438 535075275 /nfs/dbraw/zinc/07/52/75/535075275.db2.gz QXZOCKXLCWEGSP-RKDXNWHRSA-N 2 1 249.305 0.331 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261869156 535129412 /nfs/dbraw/zinc/12/94/12/535129412.db2.gz QIEXGJJUAGSVNN-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261565815 535148500 /nfs/dbraw/zinc/14/85/00/535148500.db2.gz YNVCMPBNZFLULH-LLVKDONJSA-N 2 1 241.379 0.736 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336212309 535316256 /nfs/dbraw/zinc/31/62/56/535316256.db2.gz LYEHIYDHRPBSSL-JQWIXIFHSA-N 2 1 245.342 0.520 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000262651301 535363145 /nfs/dbraw/zinc/36/31/45/535363145.db2.gz XPPKRQIIJMJSOW-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252391531 535406688 /nfs/dbraw/zinc/40/66/88/535406688.db2.gz RJKXMPYNIGBTPZ-WISYIIOYSA-N 2 1 241.379 0.829 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252391531 535406693 /nfs/dbraw/zinc/40/66/93/535406693.db2.gz RJKXMPYNIGBTPZ-WISYIIOYSA-N 2 1 241.379 0.829 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000348062512 535406718 /nfs/dbraw/zinc/40/67/18/535406718.db2.gz KMOCVSLWZTYSBK-GRYCIOLGSA-N 2 1 241.379 0.831 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000348062512 535406722 /nfs/dbraw/zinc/40/67/22/535406722.db2.gz KMOCVSLWZTYSBK-GRYCIOLGSA-N 2 1 241.379 0.831 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562724 535461013 /nfs/dbraw/zinc/46/10/13/535461013.db2.gz WNNXSXAFLIEROM-DGCLKSJQSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562724 535461016 /nfs/dbraw/zinc/46/10/16/535461016.db2.gz WNNXSXAFLIEROM-DGCLKSJQSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335392654 535494564 /nfs/dbraw/zinc/49/45/64/535494564.db2.gz NEESTKJRWVTVKA-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929266 535505380 /nfs/dbraw/zinc/50/53/80/535505380.db2.gz YRZLHLMXRNVANT-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370916 535533454 /nfs/dbraw/zinc/53/34/54/535533454.db2.gz VPKIBRHVOYGNAQ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845387 535601526 /nfs/dbraw/zinc/60/15/26/535601526.db2.gz JADMSRAGWPDHEP-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000262004967 535703853 /nfs/dbraw/zinc/70/38/53/535703853.db2.gz DWTUFJKTWRLKGE-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347783058 535964403 /nfs/dbraw/zinc/96/44/03/535964403.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 2 1 236.363 0.846 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252782620 536162487 /nfs/dbraw/zinc/16/24/87/536162487.db2.gz SDWDGOOTDZMDTP-FIQHERPVSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252782620 536162489 /nfs/dbraw/zinc/16/24/89/536162489.db2.gz SDWDGOOTDZMDTP-FIQHERPVSA-N 2 1 241.379 0.959 20 0 BCADMP C[NH+]1CCC([NH2+]CCSCCCO)CC1 ZINC000226319886 536344068 /nfs/dbraw/zinc/34/40/68/536344068.db2.gz UYFDNLOGKZITEQ-UHFFFAOYSA-N 2 1 232.393 0.786 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354193 /nfs/dbraw/zinc/35/41/93/536354193.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354195 /nfs/dbraw/zinc/35/41/95/536354195.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354197 /nfs/dbraw/zinc/35/41/97/536354197.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261533331 536375892 /nfs/dbraw/zinc/37/58/92/536375892.db2.gz GPANPSBEYOBSPM-ZYHUDNBSSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCOCC1 ZINC000348068004 536389597 /nfs/dbraw/zinc/38/95/97/536389597.db2.gz FLXPNIAEKZZXST-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000348254397 536390590 /nfs/dbraw/zinc/39/05/90/536390590.db2.gz CINBPHBXSSHBFC-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000348254397 536390593 /nfs/dbraw/zinc/39/05/93/536390593.db2.gz CINBPHBXSSHBFC-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335619753 536394679 /nfs/dbraw/zinc/39/46/79/536394679.db2.gz SJHXIKQXDUKOTC-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000335658627 536448041 /nfs/dbraw/zinc/44/80/41/536448041.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000335658627 536448043 /nfs/dbraw/zinc/44/80/43/536448043.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000335658627 536448047 /nfs/dbraw/zinc/44/80/47/536448047.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000227712257 536854299 /nfs/dbraw/zinc/85/42/99/536854299.db2.gz QVNOYBUESTUPKG-TUAOUCFPSA-N 2 1 230.352 0.720 20 0 BCADMP C([N@H+]1CCC2(C1)CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246745 588728530 /nfs/dbraw/zinc/72/85/30/588728530.db2.gz RSNLOVOIQHIESG-GXTWGEPZSA-N 3 1 235.375 0.671 20 0 BCADMP CCOC(=O)N1CCC([NH2+][C@H](C)C[NH2+]C)CC1 ZINC000853250021 588729456 /nfs/dbraw/zinc/72/94/56/588729456.db2.gz YMLSJAKQQFFKGG-SNVBAGLBSA-N 2 1 243.351 0.805 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000113211451 588827040 /nfs/dbraw/zinc/82/70/40/588827040.db2.gz LKOIHNQFGQLSNK-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403215 582678526 /nfs/dbraw/zinc/67/85/26/582678526.db2.gz KEHSIRDJHFPOOX-AXFHLTTASA-N 2 1 240.351 0.117 20 0 BCADMP CC[N@H+](CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000891612040 582701808 /nfs/dbraw/zinc/70/18/08/582701808.db2.gz ITCZUEPWDQUQAG-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000891985789 582753682 /nfs/dbraw/zinc/75/36/82/582753682.db2.gz KBVLVSZMSZCTDT-QWRGUYRKSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892053531 582775460 /nfs/dbraw/zinc/77/54/60/582775460.db2.gz LWLHAKBBIYORGM-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892061421 582779971 /nfs/dbraw/zinc/77/99/71/582779971.db2.gz HYJAFIFCKVSMHP-VWYCJHECSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000892061258 582780234 /nfs/dbraw/zinc/78/02/34/582780234.db2.gz DPWSPXHRDPINMS-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892090485 582789056 /nfs/dbraw/zinc/78/90/56/582789056.db2.gz ADSKXKYZNYLNIE-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892147834 582801492 /nfs/dbraw/zinc/80/14/92/582801492.db2.gz WZFXSJCQAAOHFF-ZJUUUORDSA-N 2 1 242.367 0.458 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000892207138 582807604 /nfs/dbraw/zinc/80/76/04/582807604.db2.gz FKWOGAXIVSUONJ-LLVKDONJSA-N 2 1 241.379 0.642 20 0 BCADMP CCCNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020365 582828160 /nfs/dbraw/zinc/82/81/60/582828160.db2.gz AEJFYWJTBSHCFL-SECBINFHSA-N 2 1 221.308 0.722 20 0 BCADMP CCNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020481 582828431 /nfs/dbraw/zinc/82/84/31/582828431.db2.gz WCXPTBKRSDTPMQ-MRVPVSSYSA-N 2 1 207.281 0.332 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612924 582929490 /nfs/dbraw/zinc/92/94/90/582929490.db2.gz GJWCHJKJCYGLPW-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP Cc1cc(N)nc(N(C)CC[N@H+](C)C2CC2)[nH+]1 ZINC000893229909 583075467 /nfs/dbraw/zinc/07/54/67/583075467.db2.gz ZVRRJCAHJGVAOI-UHFFFAOYSA-N 2 1 235.335 0.898 20 0 BCADMP Cc1cc(N)nc(N(C)CC[N@@H+](C)C2CC2)[nH+]1 ZINC000893229909 583075469 /nfs/dbraw/zinc/07/54/69/583075469.db2.gz ZVRRJCAHJGVAOI-UHFFFAOYSA-N 2 1 235.335 0.898 20 0 BCADMP OCc1c[nH+]ccc1NCC[N@@H+]1CC=CCC1 ZINC000893611757 583173599 /nfs/dbraw/zinc/17/35/99/583173599.db2.gz KNOZPGSPYUGGEU-UHFFFAOYSA-N 2 1 233.315 0.670 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877250401 583304900 /nfs/dbraw/zinc/30/49/00/583304900.db2.gz PNHQDZOKQAUEJF-YFKTTZPYSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3OCCO3)CC[C@@H]21 ZINC000879581637 583440689 /nfs/dbraw/zinc/44/06/89/583440689.db2.gz NIHNTERLROUKOL-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCC3OCCO3)CC[C@@H]21 ZINC000879581637 583440693 /nfs/dbraw/zinc/44/06/93/583440693.db2.gz NIHNTERLROUKOL-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCC3OCCO3)CC[C@@H]21 ZINC000879581637 583440696 /nfs/dbraw/zinc/44/06/96/583440696.db2.gz NIHNTERLROUKOL-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3OCCO3)CC[C@@H]21 ZINC000879581637 583440699 /nfs/dbraw/zinc/44/06/99/583440699.db2.gz NIHNTERLROUKOL-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP Cc1ccnc(N)c1C[N@H+](C)C[C@@H](C)O ZINC000894450577 583463686 /nfs/dbraw/zinc/46/36/86/583463686.db2.gz LLDNGUBDHRSXKW-SECBINFHSA-N 2 1 209.293 0.785 20 0 BCADMP Cc1ccnc(N)c1CN(C)C[C@@H](C)O ZINC000894450577 583463690 /nfs/dbraw/zinc/46/36/90/583463690.db2.gz LLDNGUBDHRSXKW-SECBINFHSA-N 2 1 209.293 0.785 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCn1cncn1 ZINC000880131187 583470736 /nfs/dbraw/zinc/47/07/36/583470736.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 1 235.335 0.447 20 0 BCADMP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131187 583470737 /nfs/dbraw/zinc/47/07/37/583470737.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 1 235.335 0.447 20 0 BCADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000880131187 583470738 /nfs/dbraw/zinc/47/07/38/583470738.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 1 235.335 0.447 20 0 BCADMP Cc1ncoc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894582394 583488631 /nfs/dbraw/zinc/48/86/31/583488631.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 1 221.304 0.976 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895429523 583668995 /nfs/dbraw/zinc/66/89/95/583668995.db2.gz OYWDBSPUKIIFAD-ZJUUUORDSA-N 2 1 216.325 0.868 20 0 BCADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000895766906 583719052 /nfs/dbraw/zinc/71/90/52/583719052.db2.gz GXKWHUZUXKCWDS-LLVKDONJSA-N 2 1 207.277 0.690 20 0 BCADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)[nH+]1 ZINC000895738501 583719398 /nfs/dbraw/zinc/71/93/98/583719398.db2.gz WUHJFFNMLJMJPI-RKDXNWHRSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH+]1 ZINC000895738501 583719399 /nfs/dbraw/zinc/71/93/99/583719399.db2.gz WUHJFFNMLJMJPI-RKDXNWHRSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@@H]2C)[nH+]1 ZINC000895738498 583719545 /nfs/dbraw/zinc/71/95/45/583719545.db2.gz WUHJFFNMLJMJPI-BDAKNGLRSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)[nH+]1 ZINC000895738498 583719547 /nfs/dbraw/zinc/71/95/47/583719547.db2.gz WUHJFFNMLJMJPI-BDAKNGLRSA-N 2 1 221.308 0.872 20 0 BCADMP C[N@H+]1CC[C@H]1CNc1nccn2cncc12 ZINC000895768380 583724432 /nfs/dbraw/zinc/72/44/32/583724432.db2.gz YTJOZXMJYYSMTC-VIFPVBQESA-N 2 1 217.276 0.845 20 0 BCADMP CN1CC[C@H]1CNc1nccn2cncc12 ZINC000895768380 583724433 /nfs/dbraw/zinc/72/44/33/583724433.db2.gz YTJOZXMJYYSMTC-VIFPVBQESA-N 2 1 217.276 0.845 20 0 BCADMP CO[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895964514 583753610 /nfs/dbraw/zinc/75/36/10/583753610.db2.gz XKRIUALMUFDLIU-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP CO[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895964514 583753611 /nfs/dbraw/zinc/75/36/11/583753611.db2.gz XKRIUALMUFDLIU-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000883440551 583812814 /nfs/dbraw/zinc/81/28/14/583812814.db2.gz SZRFTMZTLSJOSN-OLZOCXBDSA-N 2 1 234.347 0.789 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CC[S@@](C)=O)CC1(C)C ZINC000858139961 588934955 /nfs/dbraw/zinc/93/49/55/588934955.db2.gz VRSOKWPUMKPVBA-ZUZCIYMTSA-N 2 1 232.393 0.827 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CC[S@@](C)=O)CC1(C)C ZINC000858139961 588934956 /nfs/dbraw/zinc/93/49/56/588934956.db2.gz VRSOKWPUMKPVBA-ZUZCIYMTSA-N 2 1 232.393 0.827 20 0 BCADMP CCO[C@H](C[NH2+]C[C@H](C)COC)C[NH+](C)C ZINC000896880178 583845534 /nfs/dbraw/zinc/84/55/34/583845534.db2.gz PZRVBSCRRITYSB-NWDGAFQWSA-N 2 1 232.368 0.825 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2COCCO2)CC1(C)C ZINC000858100888 588932818 /nfs/dbraw/zinc/93/28/18/588932818.db2.gz QZMVEKFJSHHAJT-NEPJUHHUSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCO2)CC1(C)C ZINC000858100889 588932872 /nfs/dbraw/zinc/93/28/72/588932872.db2.gz QZMVEKFJSHHAJT-NWDGAFQWSA-N 2 1 242.363 0.864 20 0 BCADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000897168207 583887880 /nfs/dbraw/zinc/88/78/80/583887880.db2.gz GALFQOJULKUIPG-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000897168207 583887882 /nfs/dbraw/zinc/88/78/82/583887882.db2.gz GALFQOJULKUIPG-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965720 583932464 /nfs/dbraw/zinc/93/24/64/583932464.db2.gz NHWKMQDSTVZLJS-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729687087 584023259 /nfs/dbraw/zinc/02/32/59/584023259.db2.gz QKTOXJSZLQOBTA-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H](NC(=[NH2+])NC[C@H](C)[NH+](C)C)C1CC1 ZINC000899265043 584189238 /nfs/dbraw/zinc/18/92/38/584189238.db2.gz RNMYCBHAODPCLH-DTWKUNHWSA-N 2 1 212.341 0.849 20 0 BCADMP C[C@@H]1C[C@H](c2nc(C3([NH3+])CC3)no2)CC[NH2+]1 ZINC000900017778 584266544 /nfs/dbraw/zinc/26/65/44/584266544.db2.gz TXMITYZKYWINRD-HTQZYQBOSA-N 2 1 222.292 0.873 20 0 BCADMP CC(C)(C[NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000900017413 584266551 /nfs/dbraw/zinc/26/65/51/584266551.db2.gz HAPSSFBQBTXSGZ-UHFFFAOYSA-N 2 1 210.281 0.545 20 0 BCADMP CC(C)(C)[C@@H]([NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000900017883 584266576 /nfs/dbraw/zinc/26/65/76/584266576.db2.gz YJOPXXBHEVNJBH-ZETCQYMHSA-N 2 1 224.308 0.933 20 0 BCADMP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371974 584298067 /nfs/dbraw/zinc/29/80/67/584298067.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 1 234.303 0.305 20 0 BCADMP O=C(Cc1cnc[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371974 584298068 /nfs/dbraw/zinc/29/80/68/584298068.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 1 234.303 0.305 20 0 BCADMP O=C(Cc1cnc[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371974 584298071 /nfs/dbraw/zinc/29/80/71/584298071.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 1 234.303 0.305 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000900667847 584337967 /nfs/dbraw/zinc/33/79/67/584337967.db2.gz UWCRBRQFHVFORL-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000900667847 584337968 /nfs/dbraw/zinc/33/79/68/584337968.db2.gz UWCRBRQFHVFORL-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000900667847 584337969 /nfs/dbraw/zinc/33/79/69/584337969.db2.gz UWCRBRQFHVFORL-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)Cc1cnc[nH]1 ZINC000900697474 584339502 /nfs/dbraw/zinc/33/95/02/584339502.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 1 224.308 0.409 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)Cc1cnc[nH]1 ZINC000900697474 584339505 /nfs/dbraw/zinc/33/95/05/584339505.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 1 224.308 0.409 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000900831624 584355258 /nfs/dbraw/zinc/35/52/58/584355258.db2.gz KCEDLNMJVPFPHL-WOPDTQHZSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000901284413 584421295 /nfs/dbraw/zinc/42/12/95/584421295.db2.gz CJIBLTLEKYNYSN-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000901284413 584421297 /nfs/dbraw/zinc/42/12/97/584421297.db2.gz CJIBLTLEKYNYSN-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP COC(=O)N1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902408618 584575739 /nfs/dbraw/zinc/57/57/39/584575739.db2.gz ZNJICWYJUFIUQR-UHFFFAOYSA-N 2 1 227.308 0.298 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000902394293 584583448 /nfs/dbraw/zinc/58/34/48/584583448.db2.gz UPPZYNJZCZDJJC-NEPJUHHUSA-N 2 1 241.379 0.343 20 0 BCADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000902397022 584585156 /nfs/dbraw/zinc/58/51/56/584585156.db2.gz LUVTUYHBMIRFBM-NWDGAFQWSA-N 2 1 241.379 0.343 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000902402080 584587402 /nfs/dbraw/zinc/58/74/02/584587402.db2.gz AOWDITDCZUELGX-ZJUUUORDSA-N 2 1 213.325 0.258 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCON)[C@@H]2CCC[C@H]21 ZINC000902416637 584590433 /nfs/dbraw/zinc/59/04/33/584590433.db2.gz VHXOMWCDVUICFB-SDDRHHMPSA-N 2 1 227.352 0.729 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CC1 ZINC000902418000 584591240 /nfs/dbraw/zinc/59/12/40/584591240.db2.gz UFIFXLDWWALHRW-ONGXEEELSA-N 2 1 209.337 0.550 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902418000 584591243 /nfs/dbraw/zinc/59/12/43/584591243.db2.gz UFIFXLDWWALHRW-ONGXEEELSA-N 2 1 209.337 0.550 20 0 BCADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000902413507 584599855 /nfs/dbraw/zinc/59/98/55/584599855.db2.gz NFCCIPYWJKQMJF-GHMZBOCLSA-N 2 1 209.337 0.694 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474653 584601883 /nfs/dbraw/zinc/60/18/83/584601883.db2.gz HGLIZGVUWGEIHH-IGJDLRFWSA-N 2 1 235.375 0.952 20 0 BCADMP CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447316 584604996 /nfs/dbraw/zinc/60/49/96/584604996.db2.gz SGERINBLTPJXIY-GFCCVEGCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000902450899 584606779 /nfs/dbraw/zinc/60/67/79/584606779.db2.gz DNXGNEYEOORPIJ-DDPKUIBDSA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902454056 584608628 /nfs/dbraw/zinc/60/86/28/584608628.db2.gz FBDXBZFUJOLEDL-BDAKNGLRSA-N 2 1 226.324 0.644 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454225 584608967 /nfs/dbraw/zinc/60/89/67/584608967.db2.gz RILZKIRONMTJJY-NAFSEIKSSA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000902456254 584610373 /nfs/dbraw/zinc/61/03/73/584610373.db2.gz NXZGOYRNHWFAOV-KOLCDFICSA-N 2 1 238.335 0.646 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)cn1 ZINC000902462139 584612308 /nfs/dbraw/zinc/61/23/08/584612308.db2.gz TURSBMGVUZKHQO-JQWIXIFHSA-N 2 1 222.336 0.898 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470822 584616248 /nfs/dbraw/zinc/61/62/48/584616248.db2.gz HGLIZGVUWGEIHH-SAUGFPQOSA-N 2 1 235.375 0.952 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502925 584620514 /nfs/dbraw/zinc/62/05/14/584620514.db2.gz HPABHAQYBQINPG-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902505448 584621164 /nfs/dbraw/zinc/62/11/64/584621164.db2.gz SNTYQUOOLYMMPR-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]([NH2+]CC[C@H](O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902505452 584621273 /nfs/dbraw/zinc/62/12/73/584621273.db2.gz SNTYQUOOLYMMPR-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902505455 584621680 /nfs/dbraw/zinc/62/16/80/584621680.db2.gz SNTYQUOOLYMMPR-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481604 584623969 /nfs/dbraw/zinc/62/39/69/584623969.db2.gz FNIAIDMPHYVKDF-QWHCGFSZSA-N 3 1 243.395 0.862 20 0 BCADMP Cn1cnc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c1 ZINC000903352115 584755589 /nfs/dbraw/zinc/75/55/89/584755589.db2.gz RDJDFMKJNFJLAH-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP Cn1cnc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1 ZINC000903352115 584755590 /nfs/dbraw/zinc/75/55/90/584755590.db2.gz RDJDFMKJNFJLAH-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435469 584762070 /nfs/dbraw/zinc/76/20/70/584762070.db2.gz VGEOYRWXEKEECS-WOPDTQHZSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCSC[C@H]1CCO ZINC000903441392 584763816 /nfs/dbraw/zinc/76/38/16/584763816.db2.gz QDLMLVJZSFFKRJ-GRYCIOLGSA-N 2 1 244.404 0.642 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000903460424 584766580 /nfs/dbraw/zinc/76/65/80/584766580.db2.gz BOXCLUVGMDDHJT-RFGFWPKPSA-N 3 1 237.391 0.903 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000903460424 584766582 /nfs/dbraw/zinc/76/65/82/584766582.db2.gz BOXCLUVGMDDHJT-RFGFWPKPSA-N 2 1 237.391 0.903 20 0 BCADMP Cc1noc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463997 584767215 /nfs/dbraw/zinc/76/72/15/584767215.db2.gz VXXKJLJZZMFVCD-ZJUUUORDSA-N 2 1 224.308 0.937 20 0 BCADMP Cc1noc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463997 584767216 /nfs/dbraw/zinc/76/72/16/584767216.db2.gz VXXKJLJZZMFVCD-ZJUUUORDSA-N 2 1 224.308 0.937 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464914 584767219 /nfs/dbraw/zinc/76/72/19/584767219.db2.gz ZOENCKIJKKNECR-UMSGYPCISA-N 3 1 223.364 0.927 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464914 584767220 /nfs/dbraw/zinc/76/72/20/584767220.db2.gz ZOENCKIJKKNECR-UMSGYPCISA-N 2 1 223.364 0.927 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464914 584767221 /nfs/dbraw/zinc/76/72/21/584767221.db2.gz ZOENCKIJKKNECR-UMSGYPCISA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464916 584767354 /nfs/dbraw/zinc/76/73/54/584767354.db2.gz ZOENCKIJKKNECR-WUHRBBMRSA-N 3 1 223.364 0.927 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464916 584767356 /nfs/dbraw/zinc/76/73/56/584767356.db2.gz ZOENCKIJKKNECR-WUHRBBMRSA-N 2 1 223.364 0.927 20 0 BCADMP N[C@@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464916 584767357 /nfs/dbraw/zinc/76/73/57/584767357.db2.gz ZOENCKIJKKNECR-WUHRBBMRSA-N 2 1 223.364 0.927 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447595 584770814 /nfs/dbraw/zinc/77/08/14/584770814.db2.gz YWPWNWWFZAZTGY-KKOKHZNYSA-N 3 1 211.353 0.783 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(OC)C2=O)CC[C@H]1[NH3+] ZINC000903449787 584771147 /nfs/dbraw/zinc/77/11/47/584771147.db2.gz GEKTUXHDNAZZDD-GMTAPVOTSA-N 2 1 241.335 0.208 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(OC)C2=O)CC[C@H]1[NH3+] ZINC000903449787 584771148 /nfs/dbraw/zinc/77/11/48/584771148.db2.gz GEKTUXHDNAZZDD-GMTAPVOTSA-N 2 1 241.335 0.208 20 0 BCADMP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457243 584773839 /nfs/dbraw/zinc/77/38/39/584773839.db2.gz OTTZWHWEQMBBFS-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCN1CCOCC1 ZINC000903455502 584773941 /nfs/dbraw/zinc/77/39/41/584773941.db2.gz XAPHBWQNUVFYNH-OLZOCXBDSA-N 2 1 241.379 0.106 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456714 584774143 /nfs/dbraw/zinc/77/41/43/584774143.db2.gz JTXWMIPALBXNCU-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP COC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000903456718 584774269 /nfs/dbraw/zinc/77/42/69/584774269.db2.gz JXLVDMGQBJKVSX-MROQNXINSA-N 2 1 242.363 0.578 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000903456718 584774270 /nfs/dbraw/zinc/77/42/70/584774270.db2.gz JXLVDMGQBJKVSX-MROQNXINSA-N 2 1 242.363 0.578 20 0 BCADMP c1n[nH]cc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470402 584774697 /nfs/dbraw/zinc/77/46/97/584774697.db2.gz AXAGGDQPTVENJZ-NSHDSACASA-N 2 1 220.320 0.826 20 0 BCADMP Cn1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000903470142 584774752 /nfs/dbraw/zinc/77/47/52/584774752.db2.gz GPUGOCOVLWIVTD-GFCCVEGCSA-N 2 1 234.347 0.837 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903472951 584775996 /nfs/dbraw/zinc/77/59/96/584775996.db2.gz XRWLLRGULDMLCR-QJPTWQEYSA-N 2 1 223.364 0.988 20 0 BCADMP c1nc2n(n1)[C@H](C[NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000903472592 584776261 /nfs/dbraw/zinc/77/62/61/584776261.db2.gz SSLHMTJTNCSIKC-WDEREUQCSA-N 2 1 247.346 0.640 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475914 584777019 /nfs/dbraw/zinc/77/70/19/584777019.db2.gz HSOYLOYNGQCCNG-RNJOBUHISA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475914 584777020 /nfs/dbraw/zinc/77/70/20/584777020.db2.gz HSOYLOYNGQCCNG-RNJOBUHISA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000903476118 584777463 /nfs/dbraw/zinc/77/74/63/584777463.db2.gz NZXLLCIFILMEQR-RFGFWPKPSA-N 2 1 237.391 0.868 20 0 BCADMP c1ncn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC000903481381 584777831 /nfs/dbraw/zinc/77/78/31/584777831.db2.gz ABWOZNHRWWIOEO-NSHDSACASA-N 2 1 235.335 0.542 20 0 BCADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481808 584777987 /nfs/dbraw/zinc/77/79/87/584777987.db2.gz NKMGCWZDCUAFJH-VOAKCMCISA-N 2 1 242.363 0.578 20 0 BCADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481496 584778313 /nfs/dbraw/zinc/77/83/13/584778313.db2.gz DQMRJQVQIWUCKE-VOAKCMCISA-N 2 1 242.363 0.850 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CC[NH3+] ZINC000903498559 584779744 /nfs/dbraw/zinc/77/97/44/584779744.db2.gz KPFCLFKUUNWSMU-UTUOFQBUSA-N 2 1 249.362 0.682 20 0 BCADMP CON1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499748 584779913 /nfs/dbraw/zinc/77/99/13/584779913.db2.gz ZKTQZNYGZGMXGA-MXWKQRLJSA-N 2 1 241.335 0.065 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498995 584780212 /nfs/dbraw/zinc/78/02/12/584780212.db2.gz QMSNKFSOLLVWQK-LPWJVIDDSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903499200 584780345 /nfs/dbraw/zinc/78/03/45/584780345.db2.gz JNDQMTYZIOJZNN-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCF)C2 ZINC000903493480 584780951 /nfs/dbraw/zinc/78/09/51/584780951.db2.gz SVCBJDXKIIFUBS-UMNHJUIQSA-N 2 1 244.310 0.558 20 0 BCADMP C[NH2+]CCN(CC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000903573830 584784004 /nfs/dbraw/zinc/78/40/04/584784004.db2.gz MKDZIJFGGRSQSS-CYBMUJFWSA-N 2 1 243.395 0.637 20 0 BCADMP C[NH2+]CCN(CC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000903573830 584784005 /nfs/dbraw/zinc/78/40/05/584784005.db2.gz MKDZIJFGGRSQSS-CYBMUJFWSA-N 2 1 243.395 0.637 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731798 584792868 /nfs/dbraw/zinc/79/28/68/584792868.db2.gz CRXQWCKDSUGDSR-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000903713538 584793346 /nfs/dbraw/zinc/79/33/46/584793346.db2.gz USSHKDORCMPBLU-GRYCIOLGSA-N 2 1 240.347 0.856 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000903716220 584794069 /nfs/dbraw/zinc/79/40/69/584794069.db2.gz JSHICFGPGSUYLA-SDDRHHMPSA-N 2 1 240.347 0.727 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903745893 584794194 /nfs/dbraw/zinc/79/41/94/584794194.db2.gz BMEDEAPOWAUYDV-DMDPSCGWSA-N 2 1 240.347 0.856 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748872 584794705 /nfs/dbraw/zinc/79/47/05/584794705.db2.gz CAYHNVLYJWCVJU-TYUFSLCMSA-N 3 1 239.363 0.177 20 0 BCADMP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748872 584794706 /nfs/dbraw/zinc/79/47/06/584794706.db2.gz CAYHNVLYJWCVJU-TYUFSLCMSA-N 2 1 239.363 0.177 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903753046 584796019 /nfs/dbraw/zinc/79/60/19/584796019.db2.gz ZABCUYBIUKSADP-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903753701 584796096 /nfs/dbraw/zinc/79/60/96/584796096.db2.gz XDQLTOZXRHHQEZ-YFKTTZPYSA-N 2 1 242.363 0.753 20 0 BCADMP [NH3+]CC1(O)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903761603 584797524 /nfs/dbraw/zinc/79/75/24/584797524.db2.gz WZWTUEZRYRQUEG-GFCCVEGCSA-N 2 1 241.379 0.162 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+])OC ZINC000903799913 584801797 /nfs/dbraw/zinc/80/17/97/584801797.db2.gz FOSPDKIHXXGHIK-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+])OC ZINC000903799913 584801798 /nfs/dbraw/zinc/80/17/98/584801798.db2.gz FOSPDKIHXXGHIK-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806071 584802731 /nfs/dbraw/zinc/80/27/31/584802731.db2.gz UGXHVVVEHMTECA-XQQFMLRXSA-N 2 1 242.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806071 584802732 /nfs/dbraw/zinc/80/27/32/584802732.db2.gz UGXHVVVEHMTECA-XQQFMLRXSA-N 2 1 242.363 0.587 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806639 584802741 /nfs/dbraw/zinc/80/27/41/584802741.db2.gz ZAVWZBCUMHRRKV-TUAOUCFPSA-N 2 1 244.404 0.914 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806639 584802742 /nfs/dbraw/zinc/80/27/42/584802742.db2.gz ZAVWZBCUMHRRKV-TUAOUCFPSA-N 2 1 244.404 0.914 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805084 584802915 /nfs/dbraw/zinc/80/29/15/584802915.db2.gz LPZZGDBSZHLXNN-GRYCIOLGSA-N 2 1 212.337 0.961 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805084 584802917 /nfs/dbraw/zinc/80/29/17/584802917.db2.gz LPZZGDBSZHLXNN-GRYCIOLGSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903824246 584804512 /nfs/dbraw/zinc/80/45/12/584804512.db2.gz OMPWQIZAEVQAKM-NWDGAFQWSA-N 2 1 228.336 0.605 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903824246 584804513 /nfs/dbraw/zinc/80/45/13/584804513.db2.gz OMPWQIZAEVQAKM-NWDGAFQWSA-N 2 1 228.336 0.605 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000903830164 584805475 /nfs/dbraw/zinc/80/54/75/584805475.db2.gz VIBHFQORZRJQLA-VWYCJHECSA-N 2 1 216.325 0.066 20 0 BCADMP O[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1F ZINC000903840190 584807184 /nfs/dbraw/zinc/80/71/84/584807184.db2.gz PETMQDWUKVESAG-NEPJUHHUSA-N 2 1 230.327 0.781 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839226 584807283 /nfs/dbraw/zinc/80/72/83/584807283.db2.gz JCXZKJIBYOWDCH-HBNTYKKESA-N 2 1 216.300 0.391 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000903850515 584808288 /nfs/dbraw/zinc/80/82/88/584808288.db2.gz SUQXRNAWRDMXSJ-ZDUSSCGKSA-N 2 1 242.363 0.853 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000903850515 584808289 /nfs/dbraw/zinc/80/82/89/584808289.db2.gz SUQXRNAWRDMXSJ-ZDUSSCGKSA-N 2 1 242.363 0.853 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858871 584811087 /nfs/dbraw/zinc/81/10/87/584811087.db2.gz JROHLZUXWDTKCK-FRRDWIJNSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858871 584811088 /nfs/dbraw/zinc/81/10/88/584811088.db2.gz JROHLZUXWDTKCK-FRRDWIJNSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858871 584811089 /nfs/dbraw/zinc/81/10/89/584811089.db2.gz JROHLZUXWDTKCK-FRRDWIJNSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903869156 584814361 /nfs/dbraw/zinc/81/43/61/584814361.db2.gz CMSDRMVCKAHDHY-YNEHKIRRSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CCC[C@]23CC[NH2+]C3)C1 ZINC000903869156 584814362 /nfs/dbraw/zinc/81/43/62/584814362.db2.gz CMSDRMVCKAHDHY-YNEHKIRRSA-N 2 1 223.364 0.942 20 0 BCADMP O[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872003 584815010 /nfs/dbraw/zinc/81/50/10/584815010.db2.gz ACKKYHYKGVEFRQ-PSEXLTFBSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903873977 584815936 /nfs/dbraw/zinc/81/59/36/584815936.db2.gz PRVYYGWLRWVAHE-WODVXLOZSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903873977 584815937 /nfs/dbraw/zinc/81/59/37/584815937.db2.gz PRVYYGWLRWVAHE-WODVXLOZSA-N 2 1 223.364 0.811 20 0 BCADMP C[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873774 584816005 /nfs/dbraw/zinc/81/60/05/584816005.db2.gz XIGOGCALJSUTBW-UHFFFAOYSA-N 2 1 220.316 0.756 20 0 BCADMP NC(=O)CC1([NH2+]C[C@H]2CCC[NH2+]2)CCCCC1 ZINC000903875078 584816785 /nfs/dbraw/zinc/81/67/85/584816785.db2.gz MAFFTBPQIZZFMI-LLVKDONJSA-N 2 1 239.363 0.906 20 0 BCADMP OCCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893067 584818936 /nfs/dbraw/zinc/81/89/36/584818936.db2.gz PRJDNCFFELLSJS-YHWZYXNKSA-N 2 1 242.363 0.194 20 0 BCADMP CN(Cc1nnc[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895590 584819834 /nfs/dbraw/zinc/81/98/34/584819834.db2.gz OPPCMRLBVNBIIB-FGWVZKOKSA-N 2 1 235.335 0.767 20 0 BCADMP [NH3+][C@H](CC(F)F)C[N@H+](CCO)C1CCC1 ZINC000903912872 584822312 /nfs/dbraw/zinc/82/23/12/584822312.db2.gz JGPVPUHHJIKNKQ-MRVPVSSYSA-N 2 1 222.279 0.816 20 0 BCADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)C1CCC1 ZINC000903912872 584822313 /nfs/dbraw/zinc/82/23/13/584822313.db2.gz JGPVPUHHJIKNKQ-MRVPVSSYSA-N 2 1 222.279 0.816 20 0 BCADMP N[C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903919071 584823347 /nfs/dbraw/zinc/82/33/47/584823347.db2.gz LHHCRHMGTQEZLG-CTEVKTCYSA-N 2 1 223.364 0.844 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924936 584823927 /nfs/dbraw/zinc/82/39/27/584823927.db2.gz AACUQKDBXDQWRB-UBJLHIIHSA-N 2 1 226.320 0.668 20 0 BCADMP C[C@@H](N)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933933 584824752 /nfs/dbraw/zinc/82/47/52/584824752.db2.gz BKASVXWEKFYAEM-WAAKLRNESA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933933 584824753 /nfs/dbraw/zinc/82/47/53/584824753.db2.gz BKASVXWEKFYAEM-WAAKLRNESA-N 2 1 211.353 0.796 20 0 BCADMP [NH3+]C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903917317 584826788 /nfs/dbraw/zinc/82/67/88/584826788.db2.gz LFYFMMNUFJHELS-PLKNYFGKSA-N 3 1 223.364 0.844 20 0 BCADMP CC(C)([NH3+])CC[NH2+]Cc1cnc(N)cn1 ZINC000903940159 584828898 /nfs/dbraw/zinc/82/88/98/584828898.db2.gz YWJPCPNTQJBIAP-UHFFFAOYSA-N 2 1 209.297 0.276 20 0 BCADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C2 ZINC000903939765 584829036 /nfs/dbraw/zinc/82/90/36/584829036.db2.gz LYLKZDRMFDIQIO-GWCFXTLKSA-N 2 1 240.347 0.999 20 0 BCADMP FC1(F)CCNC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000903955084 584831863 /nfs/dbraw/zinc/83/18/63/584831863.db2.gz KKAZZNUAWKYMSD-NSHDSACASA-N 2 1 247.333 0.820 20 0 BCADMP FC1(F)CCNC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000903955083 584832111 /nfs/dbraw/zinc/83/21/11/584832111.db2.gz KKAZZNUAWKYMSD-LLVKDONJSA-N 2 1 247.333 0.820 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978845 584833142 /nfs/dbraw/zinc/83/31/42/584833142.db2.gz YSPXDRVVNGFNFA-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1C ZINC000903965145 584834671 /nfs/dbraw/zinc/83/46/71/584834671.db2.gz XMJNGGCENRCRGT-ZJUUUORDSA-N 2 1 208.309 0.365 20 0 BCADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967993 584835176 /nfs/dbraw/zinc/83/51/76/584835176.db2.gz OKDGXFHZKCFFKI-MROQNXINSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CN ZINC000904299772 584860627 /nfs/dbraw/zinc/86/06/27/584860627.db2.gz OBYASOOLPAVSCK-NNYUYHANSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000904299772 584860628 /nfs/dbraw/zinc/86/06/28/584860628.db2.gz OBYASOOLPAVSCK-NNYUYHANSA-N 2 1 211.353 0.783 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301519 584861086 /nfs/dbraw/zinc/86/10/86/584861086.db2.gz MWIFNWWQYPWOIJ-SDDRHHMPSA-N 2 1 240.347 0.999 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000904301605 584861088 /nfs/dbraw/zinc/86/10/88/584861088.db2.gz JSGZIJNRGWAOGW-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302063 584861819 /nfs/dbraw/zinc/86/18/19/584861819.db2.gz UNQOULOQJNUJCH-YFKTTZPYSA-N 2 1 211.353 0.783 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000904302872 584862163 /nfs/dbraw/zinc/86/21/63/584862163.db2.gz ZWPFWGAYIRZVST-UJPOAAIJSA-N 3 1 223.364 0.783 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303719 584862374 /nfs/dbraw/zinc/86/23/74/584862374.db2.gz DUDZYHOHCMGVSU-AOOOYVTPSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309203 584862473 /nfs/dbraw/zinc/86/24/73/584862473.db2.gz CSSFGVJXJMBWKS-UKKRHICBSA-N 2 1 225.336 0.310 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312986 584863482 /nfs/dbraw/zinc/86/34/82/584863482.db2.gz VZBIZKPJDKACRA-LPEHRKFASA-N 2 1 214.309 0.465 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316446 584863491 /nfs/dbraw/zinc/86/34/91/584863491.db2.gz PMSNUZVRVPJZPP-AXFHLTTASA-N 2 1 225.336 0.180 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337066 584863567 /nfs/dbraw/zinc/86/35/67/584863567.db2.gz ZORYTXDWIOWKBA-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@]1(C[N@@H+]2CCNC(=O)CC2)CCC[NH2+]C1 ZINC000904316578 584864281 /nfs/dbraw/zinc/86/42/81/584864281.db2.gz QDPLDWWBBVQJFF-LBPRGKRZSA-N 2 1 225.336 0.198 20 0 BCADMP C[C@]1(C[N@H+]2CCNC(=O)CC2)CCC[NH2+]C1 ZINC000904316578 584864283 /nfs/dbraw/zinc/86/42/83/584864283.db2.gz QDPLDWWBBVQJFF-LBPRGKRZSA-N 2 1 225.336 0.198 20 0 BCADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904322732 584864421 /nfs/dbraw/zinc/86/44/21/584864421.db2.gz IVEUDDQQYABGHD-AOOOYVTPSA-N 2 1 225.336 0.276 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323070 584864819 /nfs/dbraw/zinc/86/48/19/584864819.db2.gz LOFURWOCYHRALH-AXFHLTTASA-N 2 1 226.320 0.751 20 0 BCADMP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321839 584864936 /nfs/dbraw/zinc/86/49/36/584864936.db2.gz HWKOTUGDRPLHKL-GARJFASQSA-N 2 1 248.392 0.479 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000904326916 584865067 /nfs/dbraw/zinc/86/50/67/584865067.db2.gz SYYXTYUCMHYNBU-WHOHXGKFSA-N 2 1 242.388 0.930 20 0 BCADMP CS(=O)(=O)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904327009 584865081 /nfs/dbraw/zinc/86/50/81/584865081.db2.gz WQIAHQAERQRXGF-AOOOYVTPSA-N 2 1 246.376 0.233 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[C@@H]1O ZINC000904327240 584865118 /nfs/dbraw/zinc/86/51/18/584865118.db2.gz ACLAPKPHVIISNX-WYUUTHIRSA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326739 584865121 /nfs/dbraw/zinc/86/51/21/584865121.db2.gz RNRLJVJXMGQWBY-MXWKQRLJSA-N 2 1 228.336 0.996 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[C@@H]1O ZINC000904327241 584865548 /nfs/dbraw/zinc/86/55/48/584865548.db2.gz ACLAPKPHVIISNX-YFKTTZPYSA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328165 584865557 /nfs/dbraw/zinc/86/55/57/584865557.db2.gz MGWMKMAVTKTILF-PHIMTYICSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[C@H]1O ZINC000904327238 584865560 /nfs/dbraw/zinc/86/55/60/584865560.db2.gz ACLAPKPHVIISNX-NNYUYHANSA-N 2 1 212.337 0.817 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904330063 584866090 /nfs/dbraw/zinc/86/60/90/584866090.db2.gz XUVUATNDYLLQOY-GARJFASQSA-N 2 1 240.347 0.997 20 0 BCADMP CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332031 584866260 /nfs/dbraw/zinc/86/62/60/584866260.db2.gz MZVPUENPGZTWPQ-FRRDWIJNSA-N 2 1 225.380 0.996 20 0 BCADMP C[N@@H+](CCOCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904342263 584867239 /nfs/dbraw/zinc/86/72/39/584867239.db2.gz BCMQVSKJSGLDSV-GFCCVEGCSA-N 2 1 230.352 0.317 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342537 584867523 /nfs/dbraw/zinc/86/75/23/584867523.db2.gz KANKVGVMFGNGRB-JFGNBEQYSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346093 584868606 /nfs/dbraw/zinc/86/86/06/584868606.db2.gz QQGABUXYYPURLW-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000904348990 584868910 /nfs/dbraw/zinc/86/89/10/584868910.db2.gz ZAENWBXPOGCCBU-ZNSHCXBVSA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000904348989 584869151 /nfs/dbraw/zinc/86/91/51/584869151.db2.gz ZAENWBXPOGCCBU-UKKRHICBSA-N 2 1 226.320 0.607 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904350102 584869197 /nfs/dbraw/zinc/86/91/97/584869197.db2.gz IAAOXPDNYIXSIS-XQQFMLRXSA-N 3 1 223.364 0.799 20 0 BCADMP Cc1c(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC000904350755 584869281 /nfs/dbraw/zinc/86/92/81/584869281.db2.gz OWXFZTXHODVWKT-KLPPZKSPSA-N 2 1 222.336 0.898 20 0 BCADMP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000904353042 584869803 /nfs/dbraw/zinc/86/98/03/584869803.db2.gz GTWSBWRZBDWLOB-ZDUSSCGKSA-N 2 1 240.395 0.141 20 0 BCADMP NC1(C[NH2+]C2CC(C[NH3+])C2)CCCCC1 ZINC000904353050 584869914 /nfs/dbraw/zinc/86/99/14/584869914.db2.gz GYFGNNHKBKGZLN-UHFFFAOYSA-N 2 1 211.353 0.975 20 0 BCADMP Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)nn1 ZINC000904355445 584871481 /nfs/dbraw/zinc/87/14/81/584871481.db2.gz NTJNGHVALUKXRA-VIFPVBQESA-N 2 1 221.308 0.291 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371331 584873459 /nfs/dbraw/zinc/87/34/59/584873459.db2.gz MSEMUFGYVAHBCE-NNYUYHANSA-N 3 1 211.353 0.640 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N)nn1 ZINC000904374699 584873875 /nfs/dbraw/zinc/87/38/75/584873875.db2.gz UZFPIELMPVRPDE-YUMQZZPRSA-N 2 1 209.297 0.274 20 0 BCADMP COCC(C)(C)CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396097 584875534 /nfs/dbraw/zinc/87/55/34/584875534.db2.gz DEIXUFBQFXKBKD-UHFFFAOYSA-N 2 1 229.368 0.154 20 0 BCADMP C[N@H+](C[C@H]1COCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904377669 584875958 /nfs/dbraw/zinc/87/59/58/584875958.db2.gz WIAFCJNDXCBCCZ-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904377669 584875960 /nfs/dbraw/zinc/87/59/60/584875960.db2.gz WIAFCJNDXCBCCZ-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@H+](C[C@H]1COCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904377670 584876047 /nfs/dbraw/zinc/87/60/47/584876047.db2.gz WIAFCJNDXCBCCZ-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904377670 584876049 /nfs/dbraw/zinc/87/60/49/584876049.db2.gz WIAFCJNDXCBCCZ-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380647 584876812 /nfs/dbraw/zinc/87/68/12/584876812.db2.gz FQQUXOFLGFMBRM-DGCLKSJQSA-N 3 1 240.395 0.140 20 0 BCADMP C[C@@H]1CC[C@@H](NC2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380647 584876813 /nfs/dbraw/zinc/87/68/13/584876813.db2.gz FQQUXOFLGFMBRM-DGCLKSJQSA-N 2 1 240.395 0.140 20 0 BCADMP CN1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCC1=O ZINC000904379786 584876848 /nfs/dbraw/zinc/87/68/48/584876848.db2.gz WQEJNYWJLVNJIQ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CN1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCC1=O ZINC000904379786 584876849 /nfs/dbraw/zinc/87/68/49/584876849.db2.gz WQEJNYWJLVNJIQ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904383573 584877109 /nfs/dbraw/zinc/87/71/09/584877109.db2.gz CBGHTIHZCLCBFH-NNYUYHANSA-N 3 1 209.337 0.265 20 0 BCADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385207 584878115 /nfs/dbraw/zinc/87/81/15/584878115.db2.gz VFQFTPCXJLGGHF-CMPLNLGQSA-N 2 1 247.346 0.585 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1C[NH3+] ZINC000904411921 584879750 /nfs/dbraw/zinc/87/97/50/584879750.db2.gz QFDAXPVLBUBSJC-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn1 ZINC000904420130 584881807 /nfs/dbraw/zinc/88/18/07/584881807.db2.gz CPXMCMDCTSYZQW-VHSXEESVSA-N 2 1 233.319 0.100 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn1 ZINC000904420130 584881809 /nfs/dbraw/zinc/88/18/09/584881809.db2.gz CPXMCMDCTSYZQW-VHSXEESVSA-N 2 1 233.319 0.100 20 0 BCADMP COC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420747 584882003 /nfs/dbraw/zinc/88/20/03/584882003.db2.gz WBAFGQXJRFLOHI-SDDRHHMPSA-N 2 1 212.337 0.810 20 0 BCADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000876790034 584886680 /nfs/dbraw/zinc/88/66/80/584886680.db2.gz QCRSNHUOOLJKBZ-OPVGQWETSA-N 2 1 237.347 0.172 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876727534 584886917 /nfs/dbraw/zinc/88/69/17/584886917.db2.gz MVAYFELHHYVWDL-VWYCJHECSA-N 2 1 239.363 0.428 20 0 BCADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)C1CC1 ZINC000876949634 584888144 /nfs/dbraw/zinc/88/81/44/584888144.db2.gz TYRKLLXDGJRMRK-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827683447 584900141 /nfs/dbraw/zinc/90/01/41/584900141.db2.gz HTXXEGAAMNPLQJ-BXKDBHETSA-N 2 1 241.310 0.041 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000733367594 584947316 /nfs/dbraw/zinc/94/73/16/584947316.db2.gz GEVOKCJGCJXKCJ-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000762978972 585440622 /nfs/dbraw/zinc/44/06/22/585440622.db2.gz OCUALKLQHSSUQK-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000763040860 585442042 /nfs/dbraw/zinc/44/20/42/585442042.db2.gz ALIOILYJVVTJOP-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000766253110 585499275 /nfs/dbraw/zinc/49/92/75/585499275.db2.gz UIPJBEAQZLPOOS-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CCN(CC[C@@H]1CCC[N@H+]1C)CC(=O)NC ZINC000767364920 585517969 /nfs/dbraw/zinc/51/79/69/585517969.db2.gz XTSSFYMUIYBTOW-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C=O)CC1 ZINC000774114038 585650964 /nfs/dbraw/zinc/65/09/64/585650964.db2.gz FKWQKUXVCJVUJR-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cnnc3)C2)CC1 ZINC000776763881 585704683 /nfs/dbraw/zinc/70/46/83/585704683.db2.gz SUTQDMUDWSNSCI-CYBMUJFWSA-N 2 1 249.362 0.899 20 0 BCADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764437 585705078 /nfs/dbraw/zinc/70/50/78/585705078.db2.gz ZNFSMSUHKVNIHJ-VXGBXAGGSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764437 585705079 /nfs/dbraw/zinc/70/50/79/585705079.db2.gz ZNFSMSUHKVNIHJ-VXGBXAGGSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2cnnc2)C1 ZINC000776764437 585705080 /nfs/dbraw/zinc/70/50/80/585705080.db2.gz ZNFSMSUHKVNIHJ-VXGBXAGGSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2cnnc2)C1 ZINC000776764437 585705081 /nfs/dbraw/zinc/70/50/81/585705081.db2.gz ZNFSMSUHKVNIHJ-VXGBXAGGSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764436 585705266 /nfs/dbraw/zinc/70/52/66/585705266.db2.gz ZNFSMSUHKVNIHJ-RYUDHWBXSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764436 585705267 /nfs/dbraw/zinc/70/52/67/585705267.db2.gz ZNFSMSUHKVNIHJ-RYUDHWBXSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2cnnc2)C1 ZINC000776764436 585705268 /nfs/dbraw/zinc/70/52/68/585705268.db2.gz ZNFSMSUHKVNIHJ-RYUDHWBXSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2cnnc2)C1 ZINC000776764436 585705269 /nfs/dbraw/zinc/70/52/69/585705269.db2.gz ZNFSMSUHKVNIHJ-RYUDHWBXSA-N 2 1 235.335 0.652 20 0 BCADMP C[C@@H]1C[C@H](N(C)CC2OCCO2)CC[N@H+]1C ZINC000777595937 585716350 /nfs/dbraw/zinc/71/63/50/585716350.db2.gz HSCSEERYZJAVLD-GHMZBOCLSA-N 2 1 228.336 0.774 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CC2OCCO2)CC[N@H+]1C ZINC000777595938 585716586 /nfs/dbraw/zinc/71/65/86/585716586.db2.gz HSCSEERYZJAVLD-MNOVXSKESA-N 2 1 228.336 0.774 20 0 BCADMP CC[C@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778400992 585733567 /nfs/dbraw/zinc/73/35/67/585733567.db2.gz XAGHYDPYGUJMGQ-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778400992 585733568 /nfs/dbraw/zinc/73/35/68/585733568.db2.gz XAGHYDPYGUJMGQ-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778400991 585733721 /nfs/dbraw/zinc/73/37/21/585733721.db2.gz XAGHYDPYGUJMGQ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000778400991 585733722 /nfs/dbraw/zinc/73/37/22/585733722.db2.gz XAGHYDPYGUJMGQ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000779341458 585751733 /nfs/dbraw/zinc/75/17/33/585751733.db2.gz HWUNDEWRINTJIE-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)CCO ZINC000779340264 585751931 /nfs/dbraw/zinc/75/19/31/585751931.db2.gz BMUXYRXEGQOXCA-LLVKDONJSA-N 2 1 218.341 0.315 20 0 BCADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836789 585881661 /nfs/dbraw/zinc/88/16/61/585881661.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 2 1 235.335 0.896 20 0 BCADMP C[NH+](C)CCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000791931270 585991956 /nfs/dbraw/zinc/99/19/56/585991956.db2.gz NTTRLADYKAJGBW-LLVKDONJSA-N 2 1 228.336 0.966 20 0 BCADMP C[NH+](C)CCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000791931270 585991957 /nfs/dbraw/zinc/99/19/57/585991957.db2.gz NTTRLADYKAJGBW-LLVKDONJSA-N 2 1 228.336 0.966 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CCC1 ZINC000795191842 586071377 /nfs/dbraw/zinc/07/13/77/586071377.db2.gz HZWAYELFSJJTOX-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1(CO)CCC1 ZINC000795191842 586071379 /nfs/dbraw/zinc/07/13/79/586071379.db2.gz HZWAYELFSJJTOX-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)nn1 ZINC000859313982 589030582 /nfs/dbraw/zinc/03/05/82/589030582.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)nn1 ZINC000859313982 589030584 /nfs/dbraw/zinc/03/05/84/589030584.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)nn1 ZINC000859313982 589030586 /nfs/dbraw/zinc/03/05/86/589030586.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)nn1 ZINC000859313982 589030588 /nfs/dbraw/zinc/03/05/88/589030588.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 2 1 249.362 0.385 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178463 586165850 /nfs/dbraw/zinc/16/58/50/586165850.db2.gz VQGDRNMYCVURLK-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CCO)C1CC1)C1CC1 ZINC000809976795 586528132 /nfs/dbraw/zinc/52/81/32/586528132.db2.gz VUOOFVDOESHNOJ-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CCO)C1CC1)C1CC1 ZINC000809976795 586528133 /nfs/dbraw/zinc/52/81/33/586528133.db2.gz VUOOFVDOESHNOJ-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP CN(C)c1cc[nH+]c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000814872083 586641089 /nfs/dbraw/zinc/64/10/89/586641089.db2.gz RQQQAXRDYRNCFX-NSHDSACASA-N 2 1 249.362 0.931 20 0 BCADMP C[C@H](NCC[N@H+]1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912827 586838639 /nfs/dbraw/zinc/83/86/39/586838639.db2.gz JMCYMUBCGCFESI-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000817933835 586842801 /nfs/dbraw/zinc/84/28/01/586842801.db2.gz URPLXMSIPHXPLP-ZYHUDNBSSA-N 2 1 237.351 0.335 20 0 BCADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000818973474 586919494 /nfs/dbraw/zinc/91/94/94/586919494.db2.gz XHALZFWLYZOOPI-MFKMUULPSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000818973467 586919561 /nfs/dbraw/zinc/91/95/61/586919561.db2.gz XHALZFWLYZOOPI-GWCFXTLKSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480438 587121837 /nfs/dbraw/zinc/12/18/37/587121837.db2.gz IPOUIIPOQWTNRW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CCCC1 ZINC000821480438 587121838 /nfs/dbraw/zinc/12/18/38/587121838.db2.gz IPOUIIPOQWTNRW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823199157 587208001 /nfs/dbraw/zinc/20/80/01/587208001.db2.gz YSLHHCDEXQKOPK-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP Cc1[nH+]cc(CN2CCC3(C2)OCCO3)n1C ZINC000824702598 587283702 /nfs/dbraw/zinc/28/37/02/587283702.db2.gz QOGCETVQUKTUGP-UHFFFAOYSA-N 2 1 237.303 0.677 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[NH+](C)C ZINC000827219960 587373541 /nfs/dbraw/zinc/37/35/41/587373541.db2.gz PYUZKCOZYUDOLQ-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828256542 587428395 /nfs/dbraw/zinc/42/83/95/587428395.db2.gz DNYRBGQOLWSWPF-NSHDSACASA-N 2 1 231.315 0.144 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000828966154 587476323 /nfs/dbraw/zinc/47/63/23/587476323.db2.gz YQPARGJCVGPKOL-SNVBAGLBSA-N 2 1 236.319 0.485 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000830136066 587538297 /nfs/dbraw/zinc/53/82/97/587538297.db2.gz VELXOEXQUWXXNH-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000830136066 587538299 /nfs/dbraw/zinc/53/82/99/587538299.db2.gz VELXOEXQUWXXNH-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830136066 587538300 /nfs/dbraw/zinc/53/83/00/587538300.db2.gz VELXOEXQUWXXNH-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830136066 587538301 /nfs/dbraw/zinc/53/83/01/587538301.db2.gz VELXOEXQUWXXNH-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971461 587640774 /nfs/dbraw/zinc/64/07/74/587640774.db2.gz XXJNZRAGARWUHD-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970264 587640816 /nfs/dbraw/zinc/64/08/16/587640816.db2.gz BDRQPXUHIKFDKW-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970622 587640938 /nfs/dbraw/zinc/64/09/38/587640938.db2.gz JUKMDHLZUBUPPY-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970630 587640948 /nfs/dbraw/zinc/64/09/48/587640948.db2.gz JWUNCSYGRLJUCV-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)C[NH3+] ZINC000834340809 587752532 /nfs/dbraw/zinc/75/25/32/587752532.db2.gz FGDGDYREQPCFMB-SNVBAGLBSA-N 2 1 238.335 0.683 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1C ZINC000834861708 587768759 /nfs/dbraw/zinc/76/87/59/587768759.db2.gz MCIHSMIRYIHUEE-KKOKHZNYSA-N 2 1 237.347 0.147 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000841777299 587974800 /nfs/dbraw/zinc/97/48/00/587974800.db2.gz YYPGHQOCJFBLCK-JTQLQIEISA-N 2 1 230.356 0.363 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843081076 588080206 /nfs/dbraw/zinc/08/02/06/588080206.db2.gz OOBPWJVVWDNQBK-BXKDBHETSA-N 2 1 242.294 0.029 20 0 BCADMP FC(F)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000843119609 588083782 /nfs/dbraw/zinc/08/37/82/588083782.db2.gz VKQBAYKQONGYHC-SNVBAGLBSA-N 2 1 234.290 0.952 20 0 BCADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(CC[NH3+])no1 ZINC000843131712 588085621 /nfs/dbraw/zinc/08/56/21/588085621.db2.gz PUKRMRXORLPWGP-RKDXNWHRSA-N 2 1 224.308 0.944 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CCN1CCOC1=O)C1CC1 ZINC000843355553 588103051 /nfs/dbraw/zinc/10/30/51/588103051.db2.gz GNTOVXIABVVZDH-NSHDSACASA-N 2 1 227.308 0.156 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000844170811 588171443 /nfs/dbraw/zinc/17/14/43/588171443.db2.gz DHHCTTZPHOKXNB-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]CC ZINC000844178700 588172427 /nfs/dbraw/zinc/17/24/27/588172427.db2.gz INKQETZJVLNOOK-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000844180639 588172570 /nfs/dbraw/zinc/17/25/70/588172570.db2.gz IRXRCDCFDWIPRU-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000844191050 588173001 /nfs/dbraw/zinc/17/30/01/588173001.db2.gz PJJWPMHAWYMIST-GXSJLCMTSA-N 2 1 225.336 0.195 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846225453 588261629 /nfs/dbraw/zinc/26/16/29/588261629.db2.gz BQZWSQOXXOYQPD-CHWSQXEVSA-N 2 1 243.395 0.801 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC(F)(F)CN ZINC000846718737 588283740 /nfs/dbraw/zinc/28/37/40/588283740.db2.gz YFAGULSVUSQJKO-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000846718737 588283742 /nfs/dbraw/zinc/28/37/42/588283742.db2.gz YFAGULSVUSQJKO-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(=O)OC ZINC000846830887 588291531 /nfs/dbraw/zinc/29/15/31/588291531.db2.gz INQAPOLNSWCSCK-JTQLQIEISA-N 2 1 246.351 0.230 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992669 588427736 /nfs/dbraw/zinc/42/77/36/588427736.db2.gz PGTSJMKGLVQOTG-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCOC)C1 ZINC000848997506 588429606 /nfs/dbraw/zinc/42/96/06/588429606.db2.gz MRRDMZPKYGNNLQ-NSHDSACASA-N 2 1 242.367 0.479 20 0 BCADMP CCOCCCNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996727 588429688 /nfs/dbraw/zinc/42/96/88/588429688.db2.gz VKGSCUACFFMGDL-JTQLQIEISA-N 2 1 230.356 0.477 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997627 588429946 /nfs/dbraw/zinc/42/99/46/588429946.db2.gz VHKPMIWHLMDCGB-VIFPVBQESA-N 2 1 228.340 0.229 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997627 588429947 /nfs/dbraw/zinc/42/99/47/588429947.db2.gz VHKPMIWHLMDCGB-VIFPVBQESA-N 2 1 228.340 0.229 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849001011 588430883 /nfs/dbraw/zinc/43/08/83/588430883.db2.gz OWHFHKSHLXPNGU-LLVKDONJSA-N 2 1 242.367 0.572 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCC1)[N@@H+](C)C1CC1 ZINC000849001568 588431024 /nfs/dbraw/zinc/43/10/24/588431024.db2.gz CCDHWYIMALNRSX-SECBINFHSA-N 2 1 210.325 0.699 20 0 BCADMP CCCNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000849004059 588431806 /nfs/dbraw/zinc/43/18/06/588431806.db2.gz WIVFFHYNVVURAM-LLVKDONJSA-N 2 1 244.408 0.948 20 0 BCADMP CCCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004585 588431809 /nfs/dbraw/zinc/43/18/09/588431809.db2.gz QBNPXVYTPNBLCN-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005406 588431999 /nfs/dbraw/zinc/43/19/99/588431999.db2.gz QQRVZRPOPOJTLU-JTQLQIEISA-N 2 1 210.325 0.558 20 0 BCADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019075 588438129 /nfs/dbraw/zinc/43/81/29/588438129.db2.gz GMVCRKHBGXGYQF-GFCCVEGCSA-N 2 1 240.351 0.063 20 0 BCADMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022748 588439186 /nfs/dbraw/zinc/43/91/86/588439186.db2.gz VQUNBPBKOQARMS-LLVKDONJSA-N 2 1 242.367 0.573 20 0 BCADMP CCN(CC)C(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043509 588448772 /nfs/dbraw/zinc/44/87/72/588448772.db2.gz NPXHTUGZJWCRCU-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP COC(=O)N(C)CC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000849352274 588474931 /nfs/dbraw/zinc/47/49/31/588474931.db2.gz KAIUJUUDFXNUOW-GFCCVEGCSA-N 2 1 243.351 0.616 20 0 BCADMP COC(=O)N(C)CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000849352274 588474933 /nfs/dbraw/zinc/47/49/33/588474933.db2.gz KAIUJUUDFXNUOW-GFCCVEGCSA-N 2 1 243.351 0.616 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663321 588613881 /nfs/dbraw/zinc/61/38/81/588613881.db2.gz APCMFEGNZWIHBA-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP CC1(C)OC[C@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732060 588619641 /nfs/dbraw/zinc/61/96/41/588619641.db2.gz IJIOPNDIZDYLJZ-TUAOUCFPSA-N 2 1 240.347 0.679 20 0 BCADMP CN1CCC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743535 588698646 /nfs/dbraw/zinc/69/86/46/588698646.db2.gz DYJWCSKOXSNWJX-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000852746639 588699094 /nfs/dbraw/zinc/69/90/94/588699094.db2.gz MYXJMSWUSSUMOD-UTUOFQBUSA-N 2 1 212.337 0.676 20 0 BCADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000852746639 588699095 /nfs/dbraw/zinc/69/90/95/588699095.db2.gz MYXJMSWUSSUMOD-UTUOFQBUSA-N 2 1 212.337 0.676 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](CCOC(F)F)C1 ZINC000852748277 588699606 /nfs/dbraw/zinc/69/96/06/588699606.db2.gz PFQWPNACGTUZKU-VIFPVBQESA-N 2 1 208.252 0.896 20 0 BCADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)nc1 ZINC000852750225 588700030 /nfs/dbraw/zinc/70/00/30/588700030.db2.gz ONISAQTVKNWIBH-STQMWFEESA-N 2 1 247.342 0.859 20 0 BCADMP c1ccc([C@H]2CCN(C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750225 588700031 /nfs/dbraw/zinc/70/00/31/588700031.db2.gz ONISAQTVKNWIBH-STQMWFEESA-N 2 1 247.342 0.859 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)N1 ZINC000852754159 588700410 /nfs/dbraw/zinc/70/04/10/588700410.db2.gz QPXZZFBGAKFPOF-SNVBAGLBSA-N 2 1 235.331 0.466 20 0 BCADMP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852755219 588700581 /nfs/dbraw/zinc/70/05/81/588700581.db2.gz HVQWULWAYGWONE-GHMZBOCLSA-N 2 1 239.319 0.122 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852761760 588700998 /nfs/dbraw/zinc/70/09/98/588700998.db2.gz ZTOJJJDXUAYCEK-UHFFFAOYSA-N 2 1 241.335 0.513 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000852823232 588705649 /nfs/dbraw/zinc/70/56/49/588705649.db2.gz CVWBHSXDALDEPC-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861568716 589168444 /nfs/dbraw/zinc/16/84/44/589168444.db2.gz GMNZRFPHHFUCBC-SECBINFHSA-N 2 1 239.323 0.180 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000861591898 589169255 /nfs/dbraw/zinc/16/92/55/589169255.db2.gz BYIHQLLKWXGAEH-DCAQKATOSA-N 2 1 242.367 0.458 20 0 BCADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000863546158 589297674 /nfs/dbraw/zinc/29/76/74/589297674.db2.gz FEHORYDWMBUHPK-MNOVXSKESA-N 2 1 210.321 0.897 20 0 BCADMP C[C@H]([NH3+])CN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000863652703 589307304 /nfs/dbraw/zinc/30/73/04/589307304.db2.gz WIJHPROHDKYGKZ-VIFPVBQESA-N 2 1 242.392 0.984 20 0 BCADMP Cc1c[nH+]cn1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000863676670 589310013 /nfs/dbraw/zinc/31/00/13/589310013.db2.gz GXDBGOLJGFGCAE-UHFFFAOYSA-N 2 1 248.290 0.032 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453719 589366149 /nfs/dbraw/zinc/36/61/49/589366149.db2.gz BCYOBBSABHOTLI-QWRGUYRKSA-N 2 1 242.367 0.477 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864456438 589367174 /nfs/dbraw/zinc/36/71/74/589367174.db2.gz IYCXCTOFBIPEKH-SCZZXKLOSA-N 2 1 221.308 0.714 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000864457266 589367328 /nfs/dbraw/zinc/36/73/28/589367328.db2.gz CCEUOIDUVOOVTN-VWYCJHECSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000864457386 589367334 /nfs/dbraw/zinc/36/73/34/589367334.db2.gz SCPURTPGBXFWBD-KKZNHRDASA-N 2 1 224.352 0.991 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000864456681 589367501 /nfs/dbraw/zinc/36/75/01/589367501.db2.gz JPSPENXDHGTUAN-OUAUKWLOSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000864457264 589367530 /nfs/dbraw/zinc/36/75/30/589367530.db2.gz CCEUOIDUVOOVTN-MXWKQRLJSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000864463953 589370031 /nfs/dbraw/zinc/37/00/31/589370031.db2.gz NZPUOKBTBBHGKI-OPRDCNLKSA-N 2 1 233.319 0.720 20 0 BCADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866205541 589480280 /nfs/dbraw/zinc/48/02/80/589480280.db2.gz FLFPYNLMTHLZLE-QWRGUYRKSA-N 2 1 247.346 0.898 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000866659504 589508046 /nfs/dbraw/zinc/50/80/46/589508046.db2.gz MNCCQHIUQCEIHX-WDEREUQCSA-N 2 1 235.335 0.436 20 0 BCADMP C[N@@H+](CCc1ccc(C(N)=O)cc1)C1CC([NH3+])C1 ZINC000866665196 589509537 /nfs/dbraw/zinc/50/95/37/589509537.db2.gz DVSRPKASGHVYMY-UHFFFAOYSA-N 2 1 247.342 0.750 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704016 589513605 /nfs/dbraw/zinc/51/36/05/589513605.db2.gz NUKIBUGMNUFISW-UTUOFQBUSA-N 2 1 244.404 0.642 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704732 589513723 /nfs/dbraw/zinc/51/37/23/589513723.db2.gz XDOAQMJBUJKQSI-WDEREUQCSA-N 2 1 230.377 0.647 20 0 BCADMP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866703656 589513793 /nfs/dbraw/zinc/51/37/93/589513793.db2.gz NNHFCYQDWODYMG-QWRGUYRKSA-N 2 1 212.337 0.689 20 0 BCADMP CCNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709010 589514211 /nfs/dbraw/zinc/51/42/11/589514211.db2.gz UMCPSWLPQYMEHB-ZDUSSCGKSA-N 2 1 241.379 0.819 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709010 589514213 /nfs/dbraw/zinc/51/42/13/589514213.db2.gz UMCPSWLPQYMEHB-ZDUSSCGKSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000866706293 589514277 /nfs/dbraw/zinc/51/42/77/589514277.db2.gz HEASAFPCIXDBRH-MFKMUULPSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000870872412 589693247 /nfs/dbraw/zinc/69/32/47/589693247.db2.gz UVENNRBTZBHIBE-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000870907544 589695976 /nfs/dbraw/zinc/69/59/76/589695976.db2.gz YVSGLVHKLAHNFD-IQJOONFLSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981485 589703322 /nfs/dbraw/zinc/70/33/22/589703322.db2.gz IXTCKXWOFKATSV-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@H]21 ZINC000870981561 589704472 /nfs/dbraw/zinc/70/44/72/589704472.db2.gz JKQKFEPAPUHXPJ-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH3+])CC[C@H]21 ZINC000870981585 589704685 /nfs/dbraw/zinc/70/46/85/589704685.db2.gz JMNYILXVKBHVBP-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981525 589704891 /nfs/dbraw/zinc/70/48/91/589704891.db2.gz JGKAZQOBRMKGBL-IJLUTSLNSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982964 589705372 /nfs/dbraw/zinc/70/53/72/589705372.db2.gz QZOSNTHVKKVORR-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000870983625 589705530 /nfs/dbraw/zinc/70/55/30/589705530.db2.gz WYNDQZZZEHZDEV-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985684 589705811 /nfs/dbraw/zinc/70/58/11/589705811.db2.gz IPUHNGLGITVQSX-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH+](C)CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871154179 589740261 /nfs/dbraw/zinc/74/02/61/589740261.db2.gz ZZRRAPDWUILXHB-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP C[NH+](C)CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871154179 589740263 /nfs/dbraw/zinc/74/02/63/589740263.db2.gz ZZRRAPDWUILXHB-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123553059 589751120 /nfs/dbraw/zinc/75/11/20/589751120.db2.gz CREQXJORFYEBFQ-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP COCCN(C)C(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000871605888 589775245 /nfs/dbraw/zinc/77/52/45/589775245.db2.gz PORZCALMDOINJG-UHFFFAOYSA-N 2 1 240.351 0.351 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872143561 589883664 /nfs/dbraw/zinc/88/36/64/589883664.db2.gz SREYIFYZPNHEML-QWRGUYRKSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872143561 589883666 /nfs/dbraw/zinc/88/36/66/589883666.db2.gz SREYIFYZPNHEML-QWRGUYRKSA-N 2 1 228.336 0.197 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCCNC(=O)C1 ZINC000872156986 589885375 /nfs/dbraw/zinc/88/53/75/589885375.db2.gz FYBKNPHPVFTOFO-UHFFFAOYSA-N 2 1 227.352 0.718 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccnc(N)c1)C2 ZINC000872154626 589885859 /nfs/dbraw/zinc/88/58/59/589885859.db2.gz ZNBZQOBZXSEWNV-WCQYABFASA-N 2 1 232.331 0.705 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccnc(N)c1)C2 ZINC000872154626 589885861 /nfs/dbraw/zinc/88/58/61/589885861.db2.gz ZNBZQOBZXSEWNV-WCQYABFASA-N 2 1 232.331 0.705 20 0 BCADMP [NH3+]CCC[N@H+]1CCNC(=O)CC12CCC2 ZINC000872158141 589886326 /nfs/dbraw/zinc/88/63/26/589886326.db2.gz XEHVHVBUPWSNPI-UHFFFAOYSA-N 2 1 211.309 0.080 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000872154142 589886422 /nfs/dbraw/zinc/88/64/22/589886422.db2.gz OTVSLWQKAXMEAS-UONOGXRCSA-N 3 1 237.391 0.917 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872196186 589889687 /nfs/dbraw/zinc/88/96/87/589889687.db2.gz DJDCOQAKDPZGLS-NSHDSACASA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204362 589891600 /nfs/dbraw/zinc/89/16/00/589891600.db2.gz OUHSBDPRZYLEEP-UTUOFQBUSA-N 2 1 244.379 0.581 20 0 BCADMP CC[N@H+](CC[NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000873035298 589980605 /nfs/dbraw/zinc/98/06/05/589980605.db2.gz IECMKULWVALAIR-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CC[NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000873035298 589980607 /nfs/dbraw/zinc/98/06/07/589980607.db2.gz IECMKULWVALAIR-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N)cn1 ZINC000873214037 589996822 /nfs/dbraw/zinc/99/68/22/589996822.db2.gz VLEUUUWIBDPPPE-YUMQZZPRSA-N 2 1 209.297 0.274 20 0 BCADMP COCCC1([NH2+]CCC[NH3+])CC[NH2+]CC1 ZINC000873225531 590000747 /nfs/dbraw/zinc/00/07/47/590000747.db2.gz RXLHJJVNMUNKFN-UHFFFAOYSA-N 3 1 215.341 0.084 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000873236162 590004264 /nfs/dbraw/zinc/00/42/64/590004264.db2.gz VIYMKUXBLJPBKG-SRVKXCTJSA-N 2 1 241.379 0.301 20 0 BCADMP C[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236418 590004792 /nfs/dbraw/zinc/00/47/92/590004792.db2.gz XLNFKCKCWNLFBE-PWSUYJOCSA-N 2 1 241.379 0.029 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000873249310 590007313 /nfs/dbraw/zinc/00/73/13/590007313.db2.gz KPMLLUSJYPFYHP-LPEHRKFASA-N 3 1 220.320 0.882 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000873248687 590007547 /nfs/dbraw/zinc/00/75/47/590007547.db2.gz DOJLAMDPNRNJCK-WISYIIOYSA-N 2 1 211.353 0.844 20 0 BCADMP CCN1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873255610 590010703 /nfs/dbraw/zinc/01/07/03/590010703.db2.gz IFLAKONLZXWHAJ-PHIMTYICSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873255972 590010843 /nfs/dbraw/zinc/01/08/43/590010843.db2.gz KGLJNMWLYHXWJE-ZDEQEGDKSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822166 590141117 /nfs/dbraw/zinc/14/11/17/590141117.db2.gz GKIBRNVPZUCDEM-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP COc1cc(C)[nH+]c(CN(C)C2C[NH2+]C2)c1 ZINC000125986626 590202514 /nfs/dbraw/zinc/20/25/14/590202514.db2.gz ACEUMPAWMZMDRI-UHFFFAOYSA-N 2 1 221.304 0.802 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876512867 590206057 /nfs/dbraw/zinc/20/60/57/590206057.db2.gz AVWKWCINVGCLQL-LLVKDONJSA-N 2 1 236.319 0.389 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734066 590234621 /nfs/dbraw/zinc/23/46/21/590234621.db2.gz OKJMZYRGKURZQU-DCAQKATOSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000876772494 590239743 /nfs/dbraw/zinc/23/97/43/590239743.db2.gz OFXGRIOYBZKCSS-QJPTWQEYSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876789512 590241213 /nfs/dbraw/zinc/24/12/13/590241213.db2.gz CQSRBJVHJLPJPW-NXEZZACHSA-N 2 1 225.336 0.134 20 0 BCADMP C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000876792884 590241988 /nfs/dbraw/zinc/24/19/88/590241988.db2.gz XRGWOWXEJRSDHJ-UHFFFAOYSA-N 2 1 238.335 0.684 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000876792930 590242294 /nfs/dbraw/zinc/24/22/94/590242294.db2.gz ZYAMZYLODRXNBP-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000876830739 590247130 /nfs/dbraw/zinc/24/71/30/590247130.db2.gz QWJMOMZWPVYAPB-VIFPVBQESA-N 2 1 215.341 0.428 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000876851817 590249255 /nfs/dbraw/zinc/24/92/55/590249255.db2.gz OVBBHNTVZBRDKO-RKDXNWHRSA-N 2 1 245.273 0.099 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876884591 590253675 /nfs/dbraw/zinc/25/36/75/590253675.db2.gz FCQCXFAUAWRFCG-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876956278 590260806 /nfs/dbraw/zinc/26/08/06/590260806.db2.gz ITFKJRIRYUYEON-GRYCIOLGSA-N 2 1 239.363 0.857 20 0 BCADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CSC[NH2+]1 ZINC000877187782 590298409 /nfs/dbraw/zinc/29/84/09/590298409.db2.gz HFVOQUMAGVDWEN-INWMGODYSA-N 2 1 241.360 0.131 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC000877250378 590303449 /nfs/dbraw/zinc/30/34/49/590303449.db2.gz PNHQDZOKQAUEJF-DDHJBXDOSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877249102 590303745 /nfs/dbraw/zinc/30/37/45/590303745.db2.gz HSRHTRMECMLYCI-JHJVBQTASA-N 2 1 249.358 0.587 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284749 590306971 /nfs/dbraw/zinc/30/69/71/590306971.db2.gz VZKKAZGWQUVWQI-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877385860 590320377 /nfs/dbraw/zinc/32/03/77/590320377.db2.gz NSHGKOLZQFCHQN-AAEUAGOBSA-N 2 1 248.330 0.592 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877385864 590321039 /nfs/dbraw/zinc/32/10/39/590321039.db2.gz NSHGKOLZQFCHQN-YPMHNXCESA-N 2 1 248.330 0.592 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386882 590321402 /nfs/dbraw/zinc/32/14/02/590321402.db2.gz ULQMDKBQGYVAMG-AAEUAGOBSA-N 2 1 248.330 0.592 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393446 590322383 /nfs/dbraw/zinc/32/23/83/590322383.db2.gz XUWBQPXYZCMKCV-YPMHNXCESA-N 2 1 239.363 0.727 20 0 BCADMP COCC[N@@H+](C[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000879126617 590699604 /nfs/dbraw/zinc/69/96/04/590699604.db2.gz LGUFEPHXJKUTHU-GFCCVEGCSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+](C)C ZINC000879537188 590796002 /nfs/dbraw/zinc/79/60/02/590796002.db2.gz UXMMVGYWCPQRQU-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573764 590810941 /nfs/dbraw/zinc/81/09/41/590810941.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573764 590810944 /nfs/dbraw/zinc/81/09/44/590810944.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573764 590810945 /nfs/dbraw/zinc/81/09/45/590810945.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570782 590811192 /nfs/dbraw/zinc/81/11/92/590811192.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570782 590811195 /nfs/dbraw/zinc/81/11/95/590811195.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570782 590811199 /nfs/dbraw/zinc/81/11/99/590811199.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570782 590811201 /nfs/dbraw/zinc/81/12/01/590811201.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000879571483 590811677 /nfs/dbraw/zinc/81/16/77/590811677.db2.gz AIAYAFXGQCHZBU-UONOGXRCSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000879571483 590811678 /nfs/dbraw/zinc/81/16/78/590811678.db2.gz AIAYAFXGQCHZBU-UONOGXRCSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000879571483 590811680 /nfs/dbraw/zinc/81/16/80/590811680.db2.gz AIAYAFXGQCHZBU-UONOGXRCSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000879571483 590811681 /nfs/dbraw/zinc/81/16/81/590811681.db2.gz AIAYAFXGQCHZBU-UONOGXRCSA-N 2 1 248.374 0.989 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582593 590820728 /nfs/dbraw/zinc/82/07/28/590820728.db2.gz SLTZQPKDWMMNPL-CHWSQXEVSA-N 2 1 234.347 0.978 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582593 590820730 /nfs/dbraw/zinc/82/07/30/590820730.db2.gz SLTZQPKDWMMNPL-CHWSQXEVSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582593 590820731 /nfs/dbraw/zinc/82/07/31/590820731.db2.gz SLTZQPKDWMMNPL-CHWSQXEVSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582593 590820732 /nfs/dbraw/zinc/82/07/32/590820732.db2.gz SLTZQPKDWMMNPL-CHWSQXEVSA-N 2 1 234.347 0.978 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3OCCO3)CC[C@@H]21 ZINC000879581635 590820958 /nfs/dbraw/zinc/82/09/58/590820958.db2.gz NIHNTERLROUKOL-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3OCCO3)CC[C@@H]21 ZINC000879581635 590820962 /nfs/dbraw/zinc/82/09/62/590820962.db2.gz NIHNTERLROUKOL-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3OCCO3)CC[C@@H]21 ZINC000879581635 590820963 /nfs/dbraw/zinc/82/09/63/590820963.db2.gz NIHNTERLROUKOL-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3OCCO3)CC[C@@H]21 ZINC000879581635 590820967 /nfs/dbraw/zinc/82/09/67/590820967.db2.gz NIHNTERLROUKOL-NEPJUHHUSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582605 590821591 /nfs/dbraw/zinc/82/15/91/590821591.db2.gz SLTZQPKDWMMNPL-QWHCGFSZSA-N 2 1 234.347 0.978 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582605 590821594 /nfs/dbraw/zinc/82/15/94/590821594.db2.gz SLTZQPKDWMMNPL-QWHCGFSZSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582605 590821596 /nfs/dbraw/zinc/82/15/96/590821596.db2.gz SLTZQPKDWMMNPL-QWHCGFSZSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000879582605 590821598 /nfs/dbraw/zinc/82/15/98/590821598.db2.gz SLTZQPKDWMMNPL-QWHCGFSZSA-N 2 1 234.347 0.978 20 0 BCADMP C[C@H]1C[N@@H+](CCCO)CCN1c1cc[nH+]cc1 ZINC000880261397 590980825 /nfs/dbraw/zinc/98/08/25/590980825.db2.gz JTHWHJBSWFWPNN-LBPRGKRZSA-N 2 1 235.331 0.975 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C[C@@H]1CO ZINC000880489959 591066342 /nfs/dbraw/zinc/06/63/42/591066342.db2.gz ZQLIYAVGDULTNY-NWDGAFQWSA-N 2 1 210.321 0.703 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C[C@@H]1CO ZINC000880489959 591066345 /nfs/dbraw/zinc/06/63/45/591066345.db2.gz ZQLIYAVGDULTNY-NWDGAFQWSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880489959 591066348 /nfs/dbraw/zinc/06/63/48/591066348.db2.gz ZQLIYAVGDULTNY-NWDGAFQWSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C[C@@H]1CO ZINC000880489959 591066352 /nfs/dbraw/zinc/06/63/52/591066352.db2.gz ZQLIYAVGDULTNY-NWDGAFQWSA-N 2 1 210.321 0.703 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130657756 591494529 /nfs/dbraw/zinc/49/45/29/591494529.db2.gz GKQTXFNTEYJZOW-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000130672598 591496146 /nfs/dbraw/zinc/49/61/46/591496146.db2.gz ZWSRYWUTIITEOR-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000130672819 591496264 /nfs/dbraw/zinc/49/62/64/591496264.db2.gz ZWSRYWUTIITEOR-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000883423811 591659577 /nfs/dbraw/zinc/65/95/77/591659577.db2.gz WBRCEQCKKSUPMC-AVGNSLFASA-N 2 1 243.370 0.960 20 0 BCADMP F[C@@H]1CN[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000883428322 591660241 /nfs/dbraw/zinc/66/02/41/591660241.db2.gz RBXNUGPGMHXLOP-RYUDHWBXSA-N 2 1 241.354 0.762 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883433945 591664203 /nfs/dbraw/zinc/66/42/03/591664203.db2.gz CGSFTRNAZUFHEB-SDDRHHMPSA-N 2 1 229.343 0.712 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883461030 591673795 /nfs/dbraw/zinc/67/37/95/591673795.db2.gz MKYYDODJZWPLHJ-SDDRHHMPSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883461935 591673898 /nfs/dbraw/zinc/67/38/98/591673898.db2.gz GJVXVPZMNNXDOT-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883461935 591673899 /nfs/dbraw/zinc/67/38/99/591673899.db2.gz GJVXVPZMNNXDOT-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461160 591673949 /nfs/dbraw/zinc/67/39/49/591673949.db2.gz OWCPSWAALDXYTK-RWMBFGLXSA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000131904201 591676713 /nfs/dbraw/zinc/67/67/13/591676713.db2.gz XXPJDWWFRNJXHF-JHJVBQTASA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000131904201 591676722 /nfs/dbraw/zinc/67/67/22/591676722.db2.gz XXPJDWWFRNJXHF-JHJVBQTASA-N 2 1 242.363 0.722 20 0 BCADMP Cn1nccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000132217034 591694301 /nfs/dbraw/zinc/69/43/01/591694301.db2.gz FAHXWXZRXUMGFK-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132872854 591744224 /nfs/dbraw/zinc/74/42/24/591744224.db2.gz CRUZKQQMAWLECE-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP CC[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000133491488 591804645 /nfs/dbraw/zinc/80/46/45/591804645.db2.gz SYVLSFAHCYIAAG-JTQLQIEISA-N 2 1 235.335 0.898 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000884199156 591872345 /nfs/dbraw/zinc/87/23/45/591872345.db2.gz QVSBQPVDQBYVRJ-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364111 591916506 /nfs/dbraw/zinc/91/65/06/591916506.db2.gz NLFGDYJWWBROPC-VHSXEESVSA-N 2 1 236.319 0.434 20 0 BCADMP C([NH2+][C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000216291368 592016981 /nfs/dbraw/zinc/01/69/81/592016981.db2.gz PCWHBXFTWOPZJW-QWRGUYRKSA-N 2 1 210.321 0.849 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@@H+](C)CCO ZINC000884825090 592023619 /nfs/dbraw/zinc/02/36/19/592023619.db2.gz DPQHJPGHFAOJNV-UHFFFAOYSA-N 2 1 209.293 0.148 20 0 BCADMP C[C@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000885960689 592115804 /nfs/dbraw/zinc/11/58/04/592115804.db2.gz OXMTVZRJNSMRCE-XKSSXDPKSA-N 2 1 220.263 0.154 20 0 BCADMP C[C@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000885960689 592115805 /nfs/dbraw/zinc/11/58/05/592115805.db2.gz OXMTVZRJNSMRCE-XKSSXDPKSA-N 2 1 220.263 0.154 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000219219850 592217110 /nfs/dbraw/zinc/21/71/10/592217110.db2.gz VFROTUHWMPVAFK-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CCC[NH2+]CC1 ZINC000886827414 592351921 /nfs/dbraw/zinc/35/19/21/592351921.db2.gz KOQXJBUGLPWJOZ-VXGBXAGGSA-N 2 1 210.321 0.708 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828195 592352322 /nfs/dbraw/zinc/35/23/22/592352322.db2.gz ZABDFWCUDOHTHV-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CCO1 ZINC000886833015 592357044 /nfs/dbraw/zinc/35/70/44/592357044.db2.gz ROWPBXLFJOOWHA-TUAOUCFPSA-N 2 1 226.320 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CCO1 ZINC000886833015 592357049 /nfs/dbraw/zinc/35/70/49/592357049.db2.gz ROWPBXLFJOOWHA-TUAOUCFPSA-N 2 1 226.320 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CCCO1 ZINC000886839915 592359829 /nfs/dbraw/zinc/35/98/29/592359829.db2.gz OPCWVGPRIMSHBO-XQQFMLRXSA-N 2 1 240.347 0.463 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000886841825 592362312 /nfs/dbraw/zinc/36/23/12/592362312.db2.gz XBXHDDWOULTSLG-FVCCEPFGSA-N 2 1 224.348 0.940 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886841379 592362819 /nfs/dbraw/zinc/36/28/19/592362819.db2.gz JNKWDWIGOHQTJC-CHWSQXEVSA-N 2 1 242.363 0.581 20 0 BCADMP C[NH2+]CCC[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000886857974 592370560 /nfs/dbraw/zinc/37/05/60/592370560.db2.gz IJJODIUKUIMYDW-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886860114 592371672 /nfs/dbraw/zinc/37/16/72/592371672.db2.gz RTTLMQNGHHJOBX-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887349801 592485304 /nfs/dbraw/zinc/48/53/04/592485304.db2.gz JJHFDXJUVRVBLE-NSHDSACASA-N 2 1 224.352 0.852 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354209 592487006 /nfs/dbraw/zinc/48/70/06/592487006.db2.gz UHERWONSQYXOSS-QMMMGPOBSA-N 2 1 234.294 0.707 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223310127 592526563 /nfs/dbraw/zinc/52/65/63/592526563.db2.gz TWRJGHHRVKSJLW-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223310127 592526566 /nfs/dbraw/zinc/52/65/66/592526566.db2.gz TWRJGHHRVKSJLW-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP C(CN[C@H]1C[NH2+]CCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705161 634385792 /nfs/dbraw/zinc/38/57/92/634385792.db2.gz IBNNACODVYJZOG-NEPJUHHUSA-N 2 1 227.352 0.097 20 0 BCADMP C(CN[C@@H]1C[NH2+]CCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705164 634387059 /nfs/dbraw/zinc/38/70/59/634387059.db2.gz IBNNACODVYJZOG-VXGBXAGGSA-N 2 1 227.352 0.097 20 0 BCADMP N[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709732 634406510 /nfs/dbraw/zinc/40/65/10/634406510.db2.gz QCZXZNQTYCGKIS-WOPDTQHZSA-N 2 1 235.375 0.988 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709728 634407012 /nfs/dbraw/zinc/40/70/12/634407012.db2.gz QCZXZNQTYCGKIS-IJLUTSLNSA-N 2 1 235.375 0.988 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)[C@@H]1CCOC1 ZINC000925710887 634409758 /nfs/dbraw/zinc/40/97/58/634409758.db2.gz CHLSHCNEEIHVDD-IJLUTSLNSA-N 2 1 242.363 0.768 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925712444 634414510 /nfs/dbraw/zinc/41/45/10/634414510.db2.gz UWXSDFYYKBRDNS-QWRGUYRKSA-N 3 1 223.364 0.859 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1CO ZINC000124775483 634432917 /nfs/dbraw/zinc/43/29/17/634432917.db2.gz DGBLSRBJCWJEGF-LLVKDONJSA-N 2 1 200.326 0.833 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716577 634449290 /nfs/dbraw/zinc/44/92/90/634449290.db2.gz AJUJMBSUYJVSBI-TUAOUCFPSA-N 2 1 223.364 0.940 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436841 634452820 /nfs/dbraw/zinc/45/28/20/634452820.db2.gz NEPHHTDSTROQBV-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931436841 634452826 /nfs/dbraw/zinc/45/28/26/634452826.db2.gz NEPHHTDSTROQBV-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931436841 634452828 /nfs/dbraw/zinc/45/28/28/634452828.db2.gz NEPHHTDSTROQBV-OLZOCXBDSA-N 2 1 248.374 0.846 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012108 634555914 /nfs/dbraw/zinc/55/59/14/634555914.db2.gz UDEGMVHKAFVLOW-LLVKDONJSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000313983241 634573281 /nfs/dbraw/zinc/57/32/81/634573281.db2.gz MPUAKHHSYUDISS-JTQLQIEISA-N 2 1 211.309 0.713 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnccn1 ZINC000925791880 635321919 /nfs/dbraw/zinc/32/19/19/635321919.db2.gz SRCOPWKOPLDREU-VWYCJHECSA-N 2 1 220.320 0.983 20 0 BCADMP C[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000258211594 631405796 /nfs/dbraw/zinc/40/57/96/631405796.db2.gz ZUUPRUATVJARRN-ZETCQYMHSA-N 2 1 210.281 0.631 20 0 BCADMP CNC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743355 631502470 /nfs/dbraw/zinc/50/24/70/631502470.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 2 1 225.336 0.006 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743355 631502476 /nfs/dbraw/zinc/50/24/76/631502476.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 2 1 225.336 0.006 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743355 631502479 /nfs/dbraw/zinc/50/24/79/631502479.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 2 1 225.336 0.006 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924871904 635672185 /nfs/dbraw/zinc/67/21/85/635672185.db2.gz GZJHEKPXPIDVAN-SNVBAGLBSA-N 2 1 236.319 0.306 20 0 BCADMP COC(=O)C(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000308798738 631650262 /nfs/dbraw/zinc/65/02/62/631650262.db2.gz DCKOILUVYUECDK-VIFPVBQESA-N 2 1 214.309 0.527 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000044646743 631819350 /nfs/dbraw/zinc/81/93/50/631819350.db2.gz MMSZGMVAMVSWIH-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000309047929 631823455 /nfs/dbraw/zinc/82/34/55/631823455.db2.gz PLPRWAJWIKIZPO-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309316683 631991335 /nfs/dbraw/zinc/99/13/35/631991335.db2.gz YWTQWQHGPPXNGH-TUAOUCFPSA-N 2 1 228.336 0.068 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919000 632011769 /nfs/dbraw/zinc/01/17/69/632011769.db2.gz GYHRMVXVMKEKQG-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052042166 632053675 /nfs/dbraw/zinc/05/36/75/632053675.db2.gz SDRMZOVAGKFVKC-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC000151392508 632775566 /nfs/dbraw/zinc/77/55/66/632775566.db2.gz VGIKDQKQPQZETF-UHFFFAOYSA-N 2 1 238.335 0.697 20 0 BCADMP CCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052042163 632780333 /nfs/dbraw/zinc/78/03/33/632780333.db2.gz KMOHXNMRNOISEK-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000052042207 632780671 /nfs/dbraw/zinc/78/06/71/632780671.db2.gz RACBXNNMEFYFIG-SNVBAGLBSA-N 2 1 212.341 0.708 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000052042205 632780757 /nfs/dbraw/zinc/78/07/57/632780757.db2.gz RACBXNNMEFYFIG-JTQLQIEISA-N 2 1 212.341 0.708 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892564432 632975921 /nfs/dbraw/zinc/97/59/21/632975921.db2.gz DVGBQYNZBKPFKE-PHIMTYICSA-N 2 1 240.351 0.071 20 0 BCADMP CCCCN(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310395202 635888402 /nfs/dbraw/zinc/88/84/02/635888402.db2.gz FJQCKLFOHSMFQL-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP CCCC[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310395202 635888404 /nfs/dbraw/zinc/88/84/04/635888404.db2.gz FJQCKLFOHSMFQL-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310395202 635888407 /nfs/dbraw/zinc/88/84/07/635888407.db2.gz FJQCKLFOHSMFQL-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000309429549 633059255 /nfs/dbraw/zinc/05/92/55/633059255.db2.gz FWMQKIBEOAQNMJ-RYUDHWBXSA-N 2 1 226.320 0.335 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000309429549 633059260 /nfs/dbraw/zinc/05/92/60/633059260.db2.gz FWMQKIBEOAQNMJ-RYUDHWBXSA-N 2 1 226.320 0.335 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C)C1 ZINC000166112192 633107766 /nfs/dbraw/zinc/10/77/66/633107766.db2.gz BZDGCWKDRHNOEM-UTUOFQBUSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C)C1 ZINC000166112192 633107768 /nfs/dbraw/zinc/10/77/68/633107768.db2.gz BZDGCWKDRHNOEM-UTUOFQBUSA-N 2 1 227.352 0.047 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928430615 635914773 /nfs/dbraw/zinc/91/47/73/635914773.db2.gz YDFWDOZGFIOINJ-GHMZBOCLSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928430615 635914776 /nfs/dbraw/zinc/91/47/76/635914776.db2.gz YDFWDOZGFIOINJ-GHMZBOCLSA-N 2 1 236.319 0.400 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122302671 633206667 /nfs/dbraw/zinc/20/66/67/633206667.db2.gz SMCCBDBBJSPTQV-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304334576 635939502 /nfs/dbraw/zinc/93/95/02/635939502.db2.gz ICSFPLKSXOYREI-GHMZBOCLSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCO2)CC1(C)C ZINC000894891066 636000664 /nfs/dbraw/zinc/00/06/64/636000664.db2.gz XWBBJIXOWATRQS-WDEREUQCSA-N 2 1 228.336 0.822 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665282720 636102332 /nfs/dbraw/zinc/10/23/32/636102332.db2.gz AKWFMPXIGUEEQP-RVMXOQNASA-N 3 1 243.395 0.702 20 0 BCADMP CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328443412 633765907 /nfs/dbraw/zinc/76/59/07/633765907.db2.gz NEQXYZRYTADJFD-RNWYCLNJSA-N 2 1 210.321 0.609 20 0 BCADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019774744 633792088 /nfs/dbraw/zinc/79/20/88/633792088.db2.gz GJXWXMSFPSHIDW-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020028664 633806046 /nfs/dbraw/zinc/80/60/46/633806046.db2.gz GNSGIIHUSCGVEE-DCAQKATOSA-N 2 1 243.326 0.287 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508156 633819104 /nfs/dbraw/zinc/81/91/04/633819104.db2.gz JILMNUQBSJSZSC-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP Cc1[nH+]ccn1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925533843 633929245 /nfs/dbraw/zinc/92/92/45/633929245.db2.gz HIARMJOMXITSIW-LLVKDONJSA-N 2 1 222.336 0.922 20 0 BCADMP Cc1[nH+]ccn1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925533844 633929603 /nfs/dbraw/zinc/92/96/03/633929603.db2.gz HIARMJOMXITSIW-NSHDSACASA-N 2 1 222.336 0.922 20 0 BCADMP NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309547112 633951519 /nfs/dbraw/zinc/95/15/19/633951519.db2.gz IRTYCOOOXSQVPW-WOPDTQHZSA-N 2 1 211.353 0.927 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309984562 634030204 /nfs/dbraw/zinc/03/02/04/634030204.db2.gz CAJJCKJMKDTWEV-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310043651 634110111 /nfs/dbraw/zinc/11/01/11/634110111.db2.gz XJABPHNFPSHPRO-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@]1(O)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310043650 634111142 /nfs/dbraw/zinc/11/11/42/634111142.db2.gz XJABPHNFPSHPRO-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP CN(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607171 634137951 /nfs/dbraw/zinc/13/79/51/634137951.db2.gz AGJFSFKJSVRZBM-IJLUTSLNSA-N 2 1 243.395 0.405 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925608742 634144566 /nfs/dbraw/zinc/14/45/66/634144566.db2.gz IYMJXSIZMSMMGH-KOLCDFICSA-N 2 1 200.326 0.878 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925612068 634150013 /nfs/dbraw/zinc/15/00/13/634150013.db2.gz QETAPMQZFOZUCK-NEPJUHHUSA-N 2 1 242.363 0.648 20 0 BCADMP CCC[N@H+]1CC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925613441 634152962 /nfs/dbraw/zinc/15/29/62/634152962.db2.gz RBIXMVCCFWZBBQ-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925646742 634203946 /nfs/dbraw/zinc/20/39/46/634203946.db2.gz VOOOMEUBBZCSOP-LPEHRKFASA-N 2 1 212.337 0.876 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674217 634257957 /nfs/dbraw/zinc/25/79/57/634257957.db2.gz AGHKRZCNBSUNEV-RYUDHWBXSA-N 2 1 242.363 0.912 20 0 BCADMP Cn1ncc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925675897 634262677 /nfs/dbraw/zinc/26/26/77/634262677.db2.gz HDDLPSVBJZWECI-LBPRGKRZSA-N 2 1 249.362 0.622 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275816 634300031 /nfs/dbraw/zinc/30/00/31/634300031.db2.gz ACFTWZMTMYKKET-FHUSYTEZSA-N 2 1 224.348 0.903 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275816 634300041 /nfs/dbraw/zinc/30/00/41/634300041.db2.gz ACFTWZMTMYKKET-FHUSYTEZSA-N 2 1 224.348 0.903 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(CC[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC000931278359 634304230 /nfs/dbraw/zinc/30/42/30/634304230.db2.gz AAOWVWNKCPNLNC-IGQOVBAYSA-N 2 1 237.391 0.963 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925690933 634316549 /nfs/dbraw/zinc/31/65/49/634316549.db2.gz IENNUTNNGKKLEM-IJLUTSLNSA-N 2 1 223.364 0.846 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694339 634338133 /nfs/dbraw/zinc/33/81/33/634338133.db2.gz SZGFGKKZTBIOKH-VXGBXAGGSA-N 2 1 223.364 0.846 20 0 BCADMP CC1(C)[C@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698724 634363938 /nfs/dbraw/zinc/36/39/38/634363938.db2.gz LXJSGDXUYJRVQL-KXUCPTDWSA-N 2 1 247.333 0.947 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NCC(F)(F)C[NH3+] ZINC000925699656 634366307 /nfs/dbraw/zinc/36/63/07/634366307.db2.gz PFAYXPSMPGGUIW-HTQZYQBOSA-N 2 1 207.268 0.311 20 0 BCADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000925699347 634366515 /nfs/dbraw/zinc/36/65/15/634366515.db2.gz OHFZXIBLYHUVRW-QWRGUYRKSA-N 3 1 211.353 0.701 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925700058 634368950 /nfs/dbraw/zinc/36/89/50/634368950.db2.gz RDYQWKAAXVVKHP-WLRJLXCNSA-N 2 1 231.290 0.166 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CC(O)C1 ZINC000893571119 635173968 /nfs/dbraw/zinc/17/39/68/635173968.db2.gz JUZWTYCUKPNUDR-UHFFFAOYSA-N 2 1 212.337 0.783 20 0 BCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406641 635218884 /nfs/dbraw/zinc/21/88/84/635218884.db2.gz QYVHQOXSXIGELU-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406639 635221055 /nfs/dbraw/zinc/22/10/55/635221055.db2.gz QYVHQOXSXIGELU-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP COC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219293214 635274704 /nfs/dbraw/zinc/27/47/04/635274704.db2.gz SAIXYFPOHDTXJT-WVMKXHBISA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])CS(C)(=O)=O ZINC000925832900 635475005 /nfs/dbraw/zinc/47/50/05/635475005.db2.gz QSCIKKIJKKBYOM-NXEZZACHSA-N 2 1 248.392 0.527 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928430616 635914285 /nfs/dbraw/zinc/91/42/85/635914285.db2.gz YDFWDOZGFIOINJ-MNOVXSKESA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928430616 635914289 /nfs/dbraw/zinc/91/42/89/635914289.db2.gz YDFWDOZGFIOINJ-MNOVXSKESA-N 2 1 236.319 0.400 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304601941 635944866 /nfs/dbraw/zinc/94/48/66/635944866.db2.gz VKXYZYFXQPZLRK-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000237426337 636768748 /nfs/dbraw/zinc/76/87/48/636768748.db2.gz RNKKVHDONLNUJY-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000925324242 636869321 /nfs/dbraw/zinc/86/93/21/636869321.db2.gz BNZLDTPEBXFYCQ-MNOVXSKESA-N 2 1 242.367 0.282 20 0 BCADMP CNC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322589289 636873290 /nfs/dbraw/zinc/87/32/90/636873290.db2.gz JKYPHUAGNMVVHC-YOGCLGLASA-N 2 1 239.363 0.727 20 0 BCADMP CCO[C@@H](C[NH2+][C@@H](CC)COC)C[NH+](C)C ZINC000926959321 636970643 /nfs/dbraw/zinc/97/06/43/636970643.db2.gz AVNCOILEHGZDHX-RYUDHWBXSA-N 2 1 232.368 0.968 20 0 BCADMP CCO[C@@H](C[NH2+][C@H](C)CCOC)C[NH+](C)C ZINC000926966834 636977968 /nfs/dbraw/zinc/97/79/68/636977968.db2.gz YHDBODCNVFYUOQ-NEPJUHHUSA-N 2 1 232.368 0.968 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnnn2C)C1 ZINC000924707887 637015528 /nfs/dbraw/zinc/01/55/28/637015528.db2.gz WASJEJMMLCDBLJ-WDEREUQCSA-N 2 1 237.351 0.808 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnnn2C)C1 ZINC000924707887 637015537 /nfs/dbraw/zinc/01/55/37/637015537.db2.gz WASJEJMMLCDBLJ-WDEREUQCSA-N 2 1 237.351 0.808 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnnn2C)C1 ZINC000924707874 637015721 /nfs/dbraw/zinc/01/57/21/637015721.db2.gz WASJEJMMLCDBLJ-GHMZBOCLSA-N 2 1 237.351 0.808 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnnn2C)C1 ZINC000924707874 637015729 /nfs/dbraw/zinc/01/57/29/637015729.db2.gz WASJEJMMLCDBLJ-GHMZBOCLSA-N 2 1 237.351 0.808 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC000901010819 637222975 /nfs/dbraw/zinc/22/29/75/637222975.db2.gz HMIFNVQAOKNRDG-UTUOFQBUSA-N 2 1 241.379 0.783 20 0 BCADMP C[N@H+](C[C@@H]1CCCCO1)C1(C[NH3+])CCOCC1 ZINC000042463665 637267169 /nfs/dbraw/zinc/26/71/69/637267169.db2.gz RKDUOTCRWULMKP-LBPRGKRZSA-N 2 1 242.363 0.995 20 0 BCADMP C[N@@H+](C[C@@H]1CCCCO1)C1(C[NH3+])CCOCC1 ZINC000042463665 637267174 /nfs/dbraw/zinc/26/71/74/637267174.db2.gz RKDUOTCRWULMKP-LBPRGKRZSA-N 2 1 242.363 0.995 20 0 BCADMP c1cn(C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903463778 637364049 /nfs/dbraw/zinc/36/40/49/637364049.db2.gz MEGDPLCSVTZBDB-VXGBXAGGSA-N 2 1 235.335 0.352 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903463778 637364058 /nfs/dbraw/zinc/36/40/58/637364058.db2.gz MEGDPLCSVTZBDB-VXGBXAGGSA-N 2 1 235.335 0.352 20 0 BCADMP C[C@]12COC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463888 637365143 /nfs/dbraw/zinc/36/51/43/637365143.db2.gz QXIONDLDDFJSMZ-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463888 637365147 /nfs/dbraw/zinc/36/51/47/637365147.db2.gz QXIONDLDDFJSMZ-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP COC(=O)[C@@]1(F)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463613 637365279 /nfs/dbraw/zinc/36/52/79/637365279.db2.gz GVJXJGMRDPEKEG-JFGNBEQYSA-N 2 1 244.310 0.701 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463859 637365643 /nfs/dbraw/zinc/36/56/43/637365643.db2.gz PTGVPHYNCMVDCW-VWYCJHECSA-N 2 1 212.337 0.687 20 0 BCADMP CC[N@H+](CCC(N)=O)CCC1CC[NH2+]CC1 ZINC000903577641 637373990 /nfs/dbraw/zinc/37/39/90/637373990.db2.gz PJOQRBNBUKEBIK-UHFFFAOYSA-N 2 1 227.352 0.573 20 0 BCADMP COCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722887 637380649 /nfs/dbraw/zinc/38/06/49/637380649.db2.gz FCKABJYDNAMZSL-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903788584 637381768 /nfs/dbraw/zinc/38/17/68/637381768.db2.gz OHKJPCYZMRQVBR-MNOVXSKESA-N 2 1 230.352 0.565 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000904429190 637399170 /nfs/dbraw/zinc/39/91/70/637399170.db2.gz YYXFGUQATYCVFS-JTQLQIEISA-N 2 1 241.335 0.544 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000904464407 637408182 /nfs/dbraw/zinc/40/81/82/637408182.db2.gz YZHOIGHQLZXRJE-ZJUUUORDSA-N 2 1 200.326 0.857 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000904464400 637408565 /nfs/dbraw/zinc/40/85/65/637408565.db2.gz YZHOIGHQLZXRJE-NXEZZACHSA-N 2 1 200.326 0.857 20 0 BCADMP C[NH+](C)Cc1cnc(CNCC2([NH3+])CC2)s1 ZINC000904442611 637410272 /nfs/dbraw/zinc/41/02/72/637410272.db2.gz FVDWYERHMMEDGE-UHFFFAOYSA-N 2 1 240.376 0.786 20 0 BCADMP Cn1nnc2cc(C[NH2+]CC3([NH3+])CC3)ccc21 ZINC000904451179 637416187 /nfs/dbraw/zinc/41/61/87/637416187.db2.gz WTYUJJHKZGTEHD-UHFFFAOYSA-N 2 1 231.303 0.549 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905023299 637571450 /nfs/dbraw/zinc/57/14/50/637571450.db2.gz GWFGXPQJAWNSKQ-GFCCVEGCSA-N 2 1 242.363 0.336 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(CC[NH+](C)C)nn1 ZINC000905057438 637590675 /nfs/dbraw/zinc/59/06/75/637590675.db2.gz WPLGEARMCMQVAX-UHFFFAOYSA-N 2 1 225.340 0.680 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(CC[NH+](C)C)nn1 ZINC000905057438 637590684 /nfs/dbraw/zinc/59/06/84/637590684.db2.gz WPLGEARMCMQVAX-UHFFFAOYSA-N 2 1 225.340 0.680 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(C[C@H](C)[NH3+])nn1 ZINC000905057706 637594083 /nfs/dbraw/zinc/59/40/83/637594083.db2.gz XXUIVLIGNUKOKH-VIFPVBQESA-N 2 1 211.313 0.466 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(C[C@H](C)[NH3+])nn1 ZINC000905057706 637594091 /nfs/dbraw/zinc/59/40/91/637594091.db2.gz XXUIVLIGNUKOKH-VIFPVBQESA-N 2 1 211.313 0.466 20 0 BCADMP [NH3+]C1(c2noc([C@@H]3CC34CC[NH2+]CC4)n2)CC1 ZINC000905325703 637753986 /nfs/dbraw/zinc/75/39/86/637753986.db2.gz WARCLTXAUGEEAP-QMMMGPOBSA-N 2 1 234.303 0.875 20 0 BCADMP [NH3+]C1(c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)CC1 ZINC000905326491 637757198 /nfs/dbraw/zinc/75/71/98/637757198.db2.gz DPAFJWWRPNHELM-KWQFWETISA-N 2 1 234.303 0.875 20 0 BCADMP [NH3+]C1(c2noc([C@]34CCC[C@H]3[NH2+]CC4)n2)CC1 ZINC000905329966 637779238 /nfs/dbraw/zinc/77/92/38/637779238.db2.gz HLANPXAMPYUQNK-KCJUWKMLSA-N 2 1 234.303 0.801 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@H](O)CC)C[NH+](C)C ZINC000905581071 637853672 /nfs/dbraw/zinc/85/36/72/637853672.db2.gz SHUJHMZDLCOTQS-MNOVXSKESA-N 2 1 218.341 0.314 20 0 BCADMP NC(=O)c1csc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906507786 638180023 /nfs/dbraw/zinc/18/00/23/638180023.db2.gz CDNCBSWLJKVDIH-ZKCHVHJHSA-N 2 1 225.317 0.426 20 0 BCADMP Cc1cc(C)n2c(C[NH2+]C3CC([NH3+])C3)cnc2n1 ZINC000906509529 638182311 /nfs/dbraw/zinc/18/23/11/638182311.db2.gz HTSYEYIPSXYSMQ-UHFFFAOYSA-N 2 1 245.330 0.925 20 0 BCADMP COCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906508686 638182560 /nfs/dbraw/zinc/18/25/60/638182560.db2.gz UWJYTFHWGIYPIM-XYPYZODXSA-N 2 1 224.308 0.109 20 0 BCADMP COCCn1cc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906510750 638182945 /nfs/dbraw/zinc/18/29/45/638182945.db2.gz UWJYTFHWGIYPIM-UHFFFAOYSA-N 2 1 224.308 0.109 20 0 BCADMP CCc1nn(C)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516692 638185975 /nfs/dbraw/zinc/18/59/75/638185975.db2.gz HRFSZPWBNFNQNW-MGCOHNPYSA-N 2 1 208.309 0.562 20 0 BCADMP COCCCn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517622 638187045 /nfs/dbraw/zinc/18/70/45/638187045.db2.gz JEADTWSZRAKBOM-XYPYZODXSA-N 2 1 238.335 0.499 20 0 BCADMP C[C@H](NC(=O)Cc1cnc[nH]1)C1=CC[N@H+](C)CC1 ZINC000907282225 638341690 /nfs/dbraw/zinc/34/16/90/638341690.db2.gz NCRMLRHWJOZVIF-JTQLQIEISA-N 2 1 248.330 0.719 20 0 BCADMP C[C@H](NC(=O)Cc1cnc[nH]1)C1=CC[N@@H+](C)CC1 ZINC000907282225 638341696 /nfs/dbraw/zinc/34/16/96/638341696.db2.gz NCRMLRHWJOZVIF-JTQLQIEISA-N 2 1 248.330 0.719 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350597 638662871 /nfs/dbraw/zinc/66/28/71/638662871.db2.gz ZRBIDHMRCYRRSK-VXGBXAGGSA-N 2 1 249.358 0.245 20 0 BCADMP CC[N@H+]1CCCN(C(=O)CN(C)C)[C@@H](C)C1 ZINC000910285900 639405292 /nfs/dbraw/zinc/40/52/92/639405292.db2.gz WUEWWILGMMPEMK-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@@H+]1CCCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000910285900 639405295 /nfs/dbraw/zinc/40/52/95/639405295.db2.gz WUEWWILGMMPEMK-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000910285900 639405298 /nfs/dbraw/zinc/40/52/98/639405298.db2.gz WUEWWILGMMPEMK-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620058 639683094 /nfs/dbraw/zinc/68/30/94/639683094.db2.gz PAKMFVOTARARCR-ZJUUUORDSA-N 2 1 236.319 0.538 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911622880 639685405 /nfs/dbraw/zinc/68/54/05/639685405.db2.gz JTDUHGLIESNYCD-NEPJUHHUSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000911623798 639685988 /nfs/dbraw/zinc/68/59/88/639685988.db2.gz GOCBTPWMQSILEE-LBPRGKRZSA-N 2 1 239.363 0.809 20 0 BCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)CC2 ZINC000911652145 639706429 /nfs/dbraw/zinc/70/64/29/639706429.db2.gz KBXUTAWWLFCHHZ-WDEREUQCSA-N 2 1 248.330 0.314 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000911656198 639711560 /nfs/dbraw/zinc/71/15/60/639711560.db2.gz KVWSXAMRXHSPQZ-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911675751 639718425 /nfs/dbraw/zinc/71/84/25/639718425.db2.gz FJCJIOCNLAKUQQ-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000911687160 639722978 /nfs/dbraw/zinc/72/29/78/639722978.db2.gz DFCFZMUDVPDAHM-JTQLQIEISA-N 2 1 238.335 0.704 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911689006 639727967 /nfs/dbraw/zinc/72/79/67/639727967.db2.gz YHPJJLQUSAKHLN-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000911696591 639731161 /nfs/dbraw/zinc/73/11/61/639731161.db2.gz XCMISXJZOZPTBX-MNOVXSKESA-N 2 1 248.330 0.232 20 0 BCADMP Cc1sc(C[NH3+])nc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698162 639733241 /nfs/dbraw/zinc/73/32/41/639733241.db2.gz GMDMLRGBADGNCE-SSDOTTSWSA-N 2 1 240.332 0.002 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725452 639751310 /nfs/dbraw/zinc/75/13/10/639751310.db2.gz UUOSCGQNCXCSDI-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](Cc1cnc[nH]1)C(=O)NCC[C@H](C)[NH3+] ZINC000911739741 639767283 /nfs/dbraw/zinc/76/72/83/639767283.db2.gz CQIVUQVRNWAMTJ-BDAKNGLRSA-N 2 1 224.308 0.442 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762479 639789377 /nfs/dbraw/zinc/78/93/77/639789377.db2.gz OYMFRIIPDNICEY-SNVBAGLBSA-N 2 1 227.352 0.713 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911814895 639804071 /nfs/dbraw/zinc/80/40/71/639804071.db2.gz VWEOWINTGSZOPM-MNOVXSKESA-N 2 1 227.352 0.665 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930612963 639821509 /nfs/dbraw/zinc/82/15/09/639821509.db2.gz BNSDPPPCHZSYDT-LBPRGKRZSA-N 2 1 244.379 0.582 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845141 639854190 /nfs/dbraw/zinc/85/41/90/639854190.db2.gz HLPYJKGEYROCPU-JTQLQIEISA-N 2 1 227.352 0.713 20 0 BCADMP C[NH+](C)CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912376999 640047020 /nfs/dbraw/zinc/04/70/20/640047020.db2.gz BVWVBJQIQDUTTM-GFCCVEGCSA-N 2 1 225.336 0.149 20 0 BCADMP COCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280284 640135280 /nfs/dbraw/zinc/13/52/80/640135280.db2.gz WDHWGSATDSHZTA-NNYUYHANSA-N 2 1 212.337 0.903 20 0 BCADMP COCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280284 640135286 /nfs/dbraw/zinc/13/52/86/640135286.db2.gz WDHWGSATDSHZTA-NNYUYHANSA-N 2 1 212.337 0.903 20 0 BCADMP CN1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146291 /nfs/dbraw/zinc/14/62/91/640146291.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 1 237.347 0.149 20 0 BCADMP CN1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146294 /nfs/dbraw/zinc/14/62/94/640146294.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 1 237.347 0.149 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435877 640200798 /nfs/dbraw/zinc/20/07/98/640200798.db2.gz FBPOXCKNWIVNCY-XQQFMLRXSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435877 640200804 /nfs/dbraw/zinc/20/08/04/640200804.db2.gz FBPOXCKNWIVNCY-XQQFMLRXSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435877 640200809 /nfs/dbraw/zinc/20/08/09/640200809.db2.gz FBPOXCKNWIVNCY-XQQFMLRXSA-N 2 1 226.364 0.887 20 0 BCADMP COCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433084 640201803 /nfs/dbraw/zinc/20/18/03/640201803.db2.gz OSXULEHEGDHBQO-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP COCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433084 640201811 /nfs/dbraw/zinc/20/18/11/640201811.db2.gz OSXULEHEGDHBQO-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP COCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433084 640201817 /nfs/dbraw/zinc/20/18/17/640201817.db2.gz OSXULEHEGDHBQO-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CC(=O)NCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931434273 640202292 /nfs/dbraw/zinc/20/22/92/640202292.db2.gz SBDIMSPGIJHXTR-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP CC(=O)NCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931434273 640202296 /nfs/dbraw/zinc/20/22/96/640202296.db2.gz SBDIMSPGIJHXTR-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP CC(=O)NCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931434273 640202301 /nfs/dbraw/zinc/20/23/01/640202301.db2.gz SBDIMSPGIJHXTR-OLZOCXBDSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440673 640205003 /nfs/dbraw/zinc/20/50/03/640205003.db2.gz WKWFSFLALIRRHK-GRYCIOLGSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440673 640205008 /nfs/dbraw/zinc/20/50/08/640205008.db2.gz WKWFSFLALIRRHK-GRYCIOLGSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440673 640205014 /nfs/dbraw/zinc/20/50/14/640205014.db2.gz WKWFSFLALIRRHK-GRYCIOLGSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000931441579 640206253 /nfs/dbraw/zinc/20/62/53/640206253.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 1 237.391 0.966 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCCC3)C[C@@H]2C1 ZINC000931441579 640206259 /nfs/dbraw/zinc/20/62/59/640206259.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 1 237.391 0.966 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCCC3)C[C@@H]2C1 ZINC000931441579 640206266 /nfs/dbraw/zinc/20/62/66/640206266.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 1 237.391 0.966 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000931441579 640206273 /nfs/dbraw/zinc/20/62/73/640206273.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 1 237.391 0.966 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000931441579 640206279 /nfs/dbraw/zinc/20/62/79/640206279.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 1 237.391 0.966 20 0 BCADMP Cn1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nn1 ZINC000931440219 640207232 /nfs/dbraw/zinc/20/72/32/640207232.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 1 235.335 0.199 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902721 640246982 /nfs/dbraw/zinc/24/69/82/640246982.db2.gz IQRFBESBJUGXIM-VXGBXAGGSA-N 2 1 237.347 0.387 20 0 BCADMP COCC(COC)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931548311 640265764 /nfs/dbraw/zinc/26/57/64/640265764.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931548311 640265786 /nfs/dbraw/zinc/26/57/86/640265786.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931548311 640265792 /nfs/dbraw/zinc/26/57/92/640265792.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 2 1 242.363 0.674 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931701198 640324448 /nfs/dbraw/zinc/32/44/48/640324448.db2.gz XMSKJAYHZDFSSG-RYUDHWBXSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CO ZINC000931702803 640326923 /nfs/dbraw/zinc/32/69/23/640326923.db2.gz DYDYKTJZSWDPCN-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP COC[C@H](C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2)OC ZINC000931717720 640335202 /nfs/dbraw/zinc/33/52/02/640335202.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP COC[C@H](CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OC ZINC000931717720 640335209 /nfs/dbraw/zinc/33/52/09/640335209.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP COC[C@H](CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OC ZINC000931717720 640335216 /nfs/dbraw/zinc/33/52/16/640335216.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000044649402 640445763 /nfs/dbraw/zinc/44/57/63/640445763.db2.gz NKTCGZZIQYTECC-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP O=C(C[NH2+]CC1CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726837 640461876 /nfs/dbraw/zinc/46/18/76/640461876.db2.gz PFJGARKZIVLQFH-LLVKDONJSA-N 2 1 237.347 0.339 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157780265 640730909 /nfs/dbraw/zinc/73/09/09/640730909.db2.gz OZLZMOJIMVOWRD-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344965 640749441 /nfs/dbraw/zinc/74/94/41/640749441.db2.gz XQLUPKBPDXGXOD-MXWKQRLJSA-N 2 1 216.325 0.053 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000226328938 640748586 /nfs/dbraw/zinc/74/85/86/640748586.db2.gz XWESNKIIEFVGEG-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344965 640749438 /nfs/dbraw/zinc/74/94/38/640749438.db2.gz XQLUPKBPDXGXOD-MXWKQRLJSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733621 640755917 /nfs/dbraw/zinc/75/59/17/640755917.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733621 640755919 /nfs/dbraw/zinc/75/59/19/640755919.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733621 640755928 /nfs/dbraw/zinc/75/59/28/640755928.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733621 640755933 /nfs/dbraw/zinc/75/59/33/640755933.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403723 640761115 /nfs/dbraw/zinc/76/11/15/640761115.db2.gz KGHUYPSDLAIZHM-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP OCCCCCC[N@H+]1CCC[NH2+]CC1 ZINC000226415889 640764484 /nfs/dbraw/zinc/76/44/84/640764484.db2.gz WNHJNKLZMQCEKA-UHFFFAOYSA-N 2 1 200.326 0.834 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158170419 640819239 /nfs/dbraw/zinc/81/92/39/640819239.db2.gz XBRAAYKMEQSXBP-AVGNSLFASA-N 2 1 244.379 0.845 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000228270444 640867767 /nfs/dbraw/zinc/86/77/67/640867767.db2.gz RSDQUGFAGWIAQV-MNOVXSKESA-N 2 1 241.335 0.416 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000228270444 640867772 /nfs/dbraw/zinc/86/77/72/640867772.db2.gz RSDQUGFAGWIAQV-MNOVXSKESA-N 2 1 241.335 0.416 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000228270553 640868023 /nfs/dbraw/zinc/86/80/23/640868023.db2.gz QQBNXSILXJEUAR-NSHDSACASA-N 2 1 241.335 0.416 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063681 641011431 /nfs/dbraw/zinc/01/14/31/641011431.db2.gz ATGYZQAOLIZDAZ-ZYHUDNBSSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061988621 641012490 /nfs/dbraw/zinc/01/24/90/641012490.db2.gz OTIAWGDRZLNCOE-LBPRGKRZSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061988621 641012497 /nfs/dbraw/zinc/01/24/97/641012497.db2.gz OTIAWGDRZLNCOE-LBPRGKRZSA-N 2 1 223.364 0.907 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000087766635 641020905 /nfs/dbraw/zinc/02/09/05/641020905.db2.gz WWAFGNRJXFRSIE-SNVBAGLBSA-N 2 1 208.309 0.243 20 0 BCADMP COCC[NH+](CCOC)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862407 641100314 /nfs/dbraw/zinc/10/03/14/641100314.db2.gz LYPHRZFFWFIRGJ-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000231844260 641205820 /nfs/dbraw/zinc/20/58/20/641205820.db2.gz VREWXRHMEIZWRI-SRVKXCTJSA-N 2 1 241.379 0.973 20 0 BCADMP CCOC(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC ZINC000088009395 641238192 /nfs/dbraw/zinc/23/81/92/641238192.db2.gz ZSRRUQYZNORHON-GHMZBOCLSA-N 2 1 228.336 0.537 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000935042732 641323728 /nfs/dbraw/zinc/32/37/28/641323728.db2.gz DXULJPNYSKPRIQ-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000935042732 641323738 /nfs/dbraw/zinc/32/37/38/641323738.db2.gz DXULJPNYSKPRIQ-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929703802 641407659 /nfs/dbraw/zinc/40/76/59/641407659.db2.gz UPTIGGGAWNPIFD-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929703802 641407662 /nfs/dbraw/zinc/40/76/62/641407662.db2.gz UPTIGGGAWNPIFD-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703802 641407664 /nfs/dbraw/zinc/40/76/64/641407664.db2.gz UPTIGGGAWNPIFD-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913630080 641433897 /nfs/dbraw/zinc/43/38/97/641433897.db2.gz XYBRBLIXVVYXFH-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000040715728 641533848 /nfs/dbraw/zinc/53/38/48/641533848.db2.gz BGUDHRSWGHCJFX-ZDUSSCGKSA-N 2 1 247.342 0.969 20 0 BCADMP C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040863958 641536575 /nfs/dbraw/zinc/53/65/75/641536575.db2.gz WNGRZEKMFFGUDT-UHFFFAOYSA-N 2 1 207.277 0.326 20 0 BCADMP CC[N@H+](CC(=O)NC)CC1CC[NH2+]CC1 ZINC000043497646 641566478 /nfs/dbraw/zinc/56/64/78/641566478.db2.gz DHNIHYCHIGQKMX-UHFFFAOYSA-N 2 1 213.325 0.054 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156104307 641595729 /nfs/dbraw/zinc/59/57/29/641595729.db2.gz JVLXHWZWFXBPOR-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000044538791 641604798 /nfs/dbraw/zinc/60/47/98/641604798.db2.gz YINDNJDQXBLLOU-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000925408554 641667980 /nfs/dbraw/zinc/66/79/80/641667980.db2.gz QATZVGXGWFNWAX-QWRGUYRKSA-N 2 1 240.351 0.036 20 0 BCADMP C[NH+](C)CCNC(=S)N1CCC[N@@H+](C)CC1 ZINC000916112461 641909217 /nfs/dbraw/zinc/90/92/17/641909217.db2.gz URYMIGZSHQXJAI-UHFFFAOYSA-N 2 1 244.408 0.060 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126754097 641987471 /nfs/dbraw/zinc/98/74/71/641987471.db2.gz PTJMGULJJVSLQA-MNOVXSKESA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126754097 641987478 /nfs/dbraw/zinc/98/74/78/641987478.db2.gz PTJMGULJJVSLQA-MNOVXSKESA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000918182238 642175415 /nfs/dbraw/zinc/17/54/15/642175415.db2.gz WLCOEILSFKLCON-NSHDSACASA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+]1C)C1CC1 ZINC000918182238 642175419 /nfs/dbraw/zinc/17/54/19/642175419.db2.gz WLCOEILSFKLCON-NSHDSACASA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000918182238 642175422 /nfs/dbraw/zinc/17/54/22/642175422.db2.gz WLCOEILSFKLCON-NSHDSACASA-N 2 1 240.351 0.084 20 0 BCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971200246 642323170 /nfs/dbraw/zinc/32/31/70/642323170.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971200246 642323173 /nfs/dbraw/zinc/32/31/73/642323173.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971200246 642323177 /nfs/dbraw/zinc/32/31/77/642323177.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000068808946 642379831 /nfs/dbraw/zinc/37/98/31/642379831.db2.gz IXSUYILAFPQEEL-JTQLQIEISA-N 2 1 241.383 0.145 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891403430 642484950 /nfs/dbraw/zinc/48/49/50/642484950.db2.gz PVHWVUPVUWNLOF-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCO2)CC[N@@H+]1C ZINC000179573186 642726420 /nfs/dbraw/zinc/72/64/20/642726420.db2.gz AFHYWBFNUMEKCJ-MNOVXSKESA-N 2 1 228.336 0.822 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCO2)CC[N@H+]1C ZINC000179573186 642726424 /nfs/dbraw/zinc/72/64/24/642726424.db2.gz AFHYWBFNUMEKCJ-MNOVXSKESA-N 2 1 228.336 0.822 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962297571 642726475 /nfs/dbraw/zinc/72/64/75/642726475.db2.gz MUMQPYHJMWZTSY-GDNZZTSVSA-N 2 1 249.358 0.149 20 0 BCADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967708534 642802577 /nfs/dbraw/zinc/80/25/77/642802577.db2.gz LQHCUTXHFITOPB-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252215821 642887632 /nfs/dbraw/zinc/88/76/32/642887632.db2.gz XQLUPKBPDXGXOD-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252215821 642887635 /nfs/dbraw/zinc/88/76/35/642887635.db2.gz XQLUPKBPDXGXOD-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP Cc1nonc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069795636 642905847 /nfs/dbraw/zinc/90/58/47/642905847.db2.gz DASHBDZDJRQJGF-SNVBAGLBSA-N 2 1 224.308 0.939 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCF)C2)C1 ZINC001016255054 642955114 /nfs/dbraw/zinc/95/51/14/642955114.db2.gz LJDRUJWMNOUMLO-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001016255054 642955126 /nfs/dbraw/zinc/95/51/26/642955126.db2.gz LJDRUJWMNOUMLO-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001016255054 642955149 /nfs/dbraw/zinc/95/51/49/642955149.db2.gz LJDRUJWMNOUMLO-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001016255054 642955160 /nfs/dbraw/zinc/95/51/60/642955160.db2.gz LJDRUJWMNOUMLO-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001016255054 642955164 /nfs/dbraw/zinc/95/51/64/642955164.db2.gz LJDRUJWMNOUMLO-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019381221 643030979 /nfs/dbraw/zinc/03/09/79/643030979.db2.gz BEOWUEORTDUQNI-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP COC(OC)[C@H](C)NC1CC[NH+](C)CC1 ZINC000070622328 643047596 /nfs/dbraw/zinc/04/75/96/643047596.db2.gz NVHKGAPMKGWOJK-VIFPVBQESA-N 2 1 216.325 0.678 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304542804 643124679 /nfs/dbraw/zinc/12/46/79/643124679.db2.gz KZLVCWSFXTXSHW-WDEREUQCSA-N 2 1 224.352 0.654 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NCCOC)C1CC1 ZINC000066246547 643164567 /nfs/dbraw/zinc/16/45/67/643164567.db2.gz VIABIJMHKRACSB-UHFFFAOYSA-N 2 1 228.340 0.021 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020589757 643223291 /nfs/dbraw/zinc/22/32/91/643223291.db2.gz BITUELQICLHCJD-DDHJBXDOSA-N 2 1 239.363 0.441 20 0 BCADMP [NH3+]CC1CC[NH+](Cc2cnns2)CC1 ZINC000306409089 643323203 /nfs/dbraw/zinc/32/32/03/643323203.db2.gz LNRDDBPLHQZYJR-UHFFFAOYSA-N 2 1 212.322 0.709 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047915 643339320 /nfs/dbraw/zinc/33/93/20/643339320.db2.gz VBPBPVGRASWCHZ-RYUDHWBXSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCO[C@H](C)C1 ZINC000082560878 643342900 /nfs/dbraw/zinc/34/29/00/643342900.db2.gz DCQUTVHYGUQKBS-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1=O ZINC000843346347 643347050 /nfs/dbraw/zinc/34/70/50/643347050.db2.gz FJNACVPZKYSHFZ-GFCCVEGCSA-N 2 1 235.331 0.556 20 0 BCADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021044635 643393337 /nfs/dbraw/zinc/39/33/37/643393337.db2.gz PELUPSZZGRUGHA-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000068953489 643436069 /nfs/dbraw/zinc/43/60/69/643436069.db2.gz QQQRZAMGJOPCNA-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000234087546 643469298 /nfs/dbraw/zinc/46/92/98/643469298.db2.gz XXVAUFSHHMHOAW-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000234087546 643469305 /nfs/dbraw/zinc/46/93/05/643469305.db2.gz XXVAUFSHHMHOAW-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970712035 643510582 /nfs/dbraw/zinc/51/05/82/643510582.db2.gz KGBXZQXTUFDMOM-WDEREUQCSA-N 2 1 243.326 0.098 20 0 BCADMP CC[N@H+]1CCCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000307879773 643692612 /nfs/dbraw/zinc/69/26/12/643692612.db2.gz YFEOJUYMNKSDRU-UHFFFAOYSA-N 2 1 235.335 0.899 20 0 BCADMP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998730868 643720150 /nfs/dbraw/zinc/72/01/50/643720150.db2.gz LDWIPRFEHBXQQK-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999832561 643742060 /nfs/dbraw/zinc/74/20/60/643742060.db2.gz TVBDEDWUNNCAAZ-VOMCLLRMSA-N 2 1 239.363 0.537 20 0 BCADMP CCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870113 643824214 /nfs/dbraw/zinc/82/42/14/643824214.db2.gz DKDKCPQXRDNATQ-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000922479688 644002131 /nfs/dbraw/zinc/00/21/31/644002131.db2.gz YKONWWUEUXVCJL-DCAQKATOSA-N 2 1 242.367 0.328 20 0 BCADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000360712334 644003514 /nfs/dbraw/zinc/00/35/14/644003514.db2.gz HOBSIYLZPPWAQR-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000360712334 644003519 /nfs/dbraw/zinc/00/35/19/644003519.db2.gz HOBSIYLZPPWAQR-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000360712331 644004522 /nfs/dbraw/zinc/00/45/22/644004522.db2.gz HOBSIYLZPPWAQR-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000360712331 644004526 /nfs/dbraw/zinc/00/45/26/644004526.db2.gz HOBSIYLZPPWAQR-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP CCO[C@@H](C[NH2+]CC1(C)COC1)C[NH+](C)C ZINC000922753544 644086094 /nfs/dbraw/zinc/08/60/94/644086094.db2.gz HLMPOOBFVKGHJT-NSHDSACASA-N 2 1 230.352 0.579 20 0 BCADMP CCO[C@@H](C[NH2+]CC1CC1)C[NH+](C)C ZINC000922755895 644087031 /nfs/dbraw/zinc/08/70/31/644087031.db2.gz BUJGAGILNXQMGE-NSHDSACASA-N 2 1 200.326 0.953 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638475 644158705 /nfs/dbraw/zinc/15/87/05/644158705.db2.gz WAHPEFICSZQMIK-JTQLQIEISA-N 2 1 218.341 0.301 20 0 BCADMP CCN(CC)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC000079272199 644167577 /nfs/dbraw/zinc/16/75/77/644167577.db2.gz KKXHXJYCBBZRSS-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279534 644310883 /nfs/dbraw/zinc/31/08/83/644310883.db2.gz OREYFYVOBLRZDU-ZDUSSCGKSA-N 2 1 244.379 0.704 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279923 644312766 /nfs/dbraw/zinc/31/27/66/644312766.db2.gz SJHUFMXILRSEJD-JTQLQIEISA-N 2 1 218.366 0.394 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923287807 644319570 /nfs/dbraw/zinc/31/95/70/644319570.db2.gz GOSPJJPKHKBUIV-HBNTYKKESA-N 2 1 232.393 0.770 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000923289225 644322109 /nfs/dbraw/zinc/32/21/09/644322109.db2.gz HEXXVDRIOKCZHE-ZJUUUORDSA-N 2 1 218.366 0.252 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289034 644323589 /nfs/dbraw/zinc/32/35/89/644323589.db2.gz CXVULIMBFJAEJP-IJLUTSLNSA-N 3 1 239.363 0.034 20 0 BCADMP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289034 644323596 /nfs/dbraw/zinc/32/35/96/644323596.db2.gz CXVULIMBFJAEJP-IJLUTSLNSA-N 2 1 239.363 0.034 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307206 644338738 /nfs/dbraw/zinc/33/87/38/644338738.db2.gz ZEZFOTVVGWQGMC-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307206 644338745 /nfs/dbraw/zinc/33/87/45/644338745.db2.gz ZEZFOTVVGWQGMC-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314197 644340280 /nfs/dbraw/zinc/34/02/80/644340280.db2.gz SJFLQDAIUVSUEU-NSHDSACASA-N 2 1 228.336 0.069 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000923313938 644340871 /nfs/dbraw/zinc/34/08/71/644340871.db2.gz NIFCSHXGHGMPDG-NEPJUHHUSA-N 2 1 237.347 0.481 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCC[NH2+]C1CC1 ZINC000923313938 644340874 /nfs/dbraw/zinc/34/08/74/644340874.db2.gz NIFCSHXGHGMPDG-NEPJUHHUSA-N 2 1 237.347 0.481 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315737 644345065 /nfs/dbraw/zinc/34/50/65/644345065.db2.gz ZBSNNMLXIQOOCR-VXGBXAGGSA-N 2 1 240.347 0.333 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923309176 644345798 /nfs/dbraw/zinc/34/57/98/644345798.db2.gz LWMPFMRHGYGPFR-GFCCVEGCSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309721 644346198 /nfs/dbraw/zinc/34/61/98/644346198.db2.gz ZIFLLCVQGCGBHJ-WDEREUQCSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923311240 644346891 /nfs/dbraw/zinc/34/68/91/644346891.db2.gz JELRAUQQJFGYMP-KATARQTJSA-N 2 1 216.350 0.274 20 0 BCADMP CCOCC[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309540 644346941 /nfs/dbraw/zinc/34/69/41/644346941.db2.gz RQHDWQUGUVMKBS-GFCCVEGCSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923308582 644346994 /nfs/dbraw/zinc/34/69/94/644346994.db2.gz FJKHYLNBTIRHGY-RHYQMDGZSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311043 644347158 /nfs/dbraw/zinc/34/71/58/644347158.db2.gz FRQSALPOVZNAKL-QWRGUYRKSA-N 2 1 242.388 0.802 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311891 644347243 /nfs/dbraw/zinc/34/72/43/644347243.db2.gz AMWRUVRGMYGSMS-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP CCOCC[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309831 644347319 /nfs/dbraw/zinc/34/73/19/644347319.db2.gz VKUDBZOTXSOFHI-DCAQKATOSA-N 2 1 216.325 0.195 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311892 644347691 /nfs/dbraw/zinc/34/76/91/644347691.db2.gz AMWRUVRGMYGSMS-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349096 /nfs/dbraw/zinc/34/90/96/644349096.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 2 1 241.379 0.111 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330520 644349596 /nfs/dbraw/zinc/34/95/96/644349596.db2.gz AFZSRVACIOFGFJ-CYZMBNFOSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330520 644349602 /nfs/dbraw/zinc/34/96/02/644349602.db2.gz AFZSRVACIOFGFJ-CYZMBNFOSA-N 3 1 223.364 0.798 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923323911 644351497 /nfs/dbraw/zinc/35/14/97/644351497.db2.gz AZYYUCUZGWZJQV-LLVKDONJSA-N 2 1 236.319 0.220 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333128 644354819 /nfs/dbraw/zinc/35/48/19/644354819.db2.gz UOGKWIUEGZCPHS-LPEHRKFASA-N 2 1 218.366 0.379 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349698 644362334 /nfs/dbraw/zinc/36/23/34/644362334.db2.gz VUTIUBDTGUCGDF-QWHCGFSZSA-N 2 1 244.379 0.835 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923353987 644369916 /nfs/dbraw/zinc/36/99/16/644369916.db2.gz PHKFCGSEGGSLII-CHWSQXEVSA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923355986 644371502 /nfs/dbraw/zinc/37/15/02/644371502.db2.gz CRXXXWWEKIROIW-RYUDHWBXSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923355986 644371507 /nfs/dbraw/zinc/37/15/07/644371507.db2.gz CRXXXWWEKIROIW-RYUDHWBXSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356205 644371962 /nfs/dbraw/zinc/37/19/62/644371962.db2.gz RAPIOXMSRDQLOY-RYUDHWBXSA-N 2 1 244.404 0.786 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923369234 644380498 /nfs/dbraw/zinc/38/04/98/644380498.db2.gz IXZDQIISLITWSI-LMLFDSFASA-N 2 1 232.393 0.686 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355104 644372984 /nfs/dbraw/zinc/37/29/84/644372984.db2.gz GSSSWCWRQOEIQZ-ZJUUUORDSA-N 2 1 218.366 0.381 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356462 644373013 /nfs/dbraw/zinc/37/30/13/644373013.db2.gz ISAIWIJCODTOCG-CHWSQXEVSA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356462 644373019 /nfs/dbraw/zinc/37/30/19/644373019.db2.gz ISAIWIJCODTOCG-CHWSQXEVSA-N 2 1 244.379 0.689 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356207 644373244 /nfs/dbraw/zinc/37/32/44/644373244.db2.gz RAPIOXMSRDQLOY-VXGBXAGGSA-N 2 1 244.404 0.786 20 0 BCADMP Cc1ccc([C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000923364908 644376458 /nfs/dbraw/zinc/37/64/58/644376458.db2.gz AOKAYZUIJQKNPW-QWHCGFSZSA-N 2 1 238.331 0.280 20 0 BCADMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000923364908 644376463 /nfs/dbraw/zinc/37/64/63/644376463.db2.gz AOKAYZUIJQKNPW-QWHCGFSZSA-N 2 1 238.331 0.280 20 0 BCADMP CCCCCC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367436 644377912 /nfs/dbraw/zinc/37/79/12/644377912.db2.gz VBPOARHFYXLGTB-NWDGAFQWSA-N 2 1 232.368 0.569 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367160 644378527 /nfs/dbraw/zinc/37/85/27/644378527.db2.gz SXVQABRDZLSFTN-RYUDHWBXSA-N 2 1 244.404 0.786 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368759 644381743 /nfs/dbraw/zinc/38/17/43/644381743.db2.gz SLZCTBIPPNPPSF-VXGBXAGGSA-N 2 1 246.395 0.983 20 0 BCADMP CSC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923360136 644384036 /nfs/dbraw/zinc/38/40/36/644384036.db2.gz WKPUHMWCAHZRSD-ZJUUUORDSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923360136 644384041 /nfs/dbraw/zinc/38/40/41/644384041.db2.gz WKPUHMWCAHZRSD-ZJUUUORDSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371073 644385023 /nfs/dbraw/zinc/38/50/23/644385023.db2.gz VBKXREFGVYJJIT-DTWKUNHWSA-N 2 1 220.382 0.673 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362230 644386737 /nfs/dbraw/zinc/38/67/37/644386737.db2.gz MINUVCUJQCGFRU-SRVKXCTJSA-N 2 1 212.337 0.689 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362205 644386863 /nfs/dbraw/zinc/38/68/63/644386863.db2.gz LPUNZYICLLMIBF-LLVKDONJSA-N 2 1 230.352 0.587 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362205 644386869 /nfs/dbraw/zinc/38/68/69/644386869.db2.gz LPUNZYICLLMIBF-LLVKDONJSA-N 2 1 230.352 0.587 20 0 BCADMP CC(C)[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923374579 644388196 /nfs/dbraw/zinc/38/81/96/644388196.db2.gz ZSGLJHDCAPQQHT-BJDJZHNGSA-N 2 1 228.336 0.194 20 0 BCADMP CC(C)[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923374579 644388200 /nfs/dbraw/zinc/38/82/00/644388200.db2.gz ZSGLJHDCAPQQHT-BJDJZHNGSA-N 2 1 228.336 0.194 20 0 BCADMP CO[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374587 644388677 /nfs/dbraw/zinc/38/86/77/644388677.db2.gz ZWZQDIOMJFGLJC-HTFCKZLJSA-N 2 1 228.336 0.194 20 0 BCADMP C[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923373967 644390202 /nfs/dbraw/zinc/39/02/02/644390202.db2.gz QXANNCNFCXAUGS-ONGXEEELSA-N 2 1 200.326 0.864 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)COCC(C)C ZINC000923377500 644390653 /nfs/dbraw/zinc/39/06/53/644390653.db2.gz LGRIZMFDWIVFPB-LBPRGKRZSA-N 2 1 232.368 0.561 20 0 BCADMP C[C@H](O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923376893 644392106 /nfs/dbraw/zinc/39/21/06/644392106.db2.gz DQDJZTARLCUXOL-TUAOUCFPSA-N 2 1 240.347 0.068 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CSC ZINC000923380971 644393356 /nfs/dbraw/zinc/39/33/56/644393356.db2.gz YOUCDBNEZMTYMV-VIFPVBQESA-N 2 1 206.355 0.252 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380875 644393845 /nfs/dbraw/zinc/39/38/45/644393845.db2.gz JQFQVQWPQFHIQZ-NSHDSACASA-N 2 1 228.336 0.212 20 0 BCADMP CC(C)OC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381364 644394235 /nfs/dbraw/zinc/39/42/35/644394235.db2.gz LEONYSQSERLAKD-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391260 644395771 /nfs/dbraw/zinc/39/57/71/644395771.db2.gz XBJHXTHLFJDJER-ZYHUDNBSSA-N 2 1 240.347 0.210 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392186 644398440 /nfs/dbraw/zinc/39/84/40/644398440.db2.gz IFOCFWGKTJFWIF-IVZWLZJFSA-N 2 1 218.366 0.522 20 0 BCADMP CC(C)O[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385931 644399419 /nfs/dbraw/zinc/39/94/19/644399419.db2.gz GAOFLOIIDAVOPD-CYDGBPFRSA-N 2 1 242.363 0.726 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388680 644401573 /nfs/dbraw/zinc/40/15/73/644401573.db2.gz QPRRVRICXPUUFX-ZDEQEGDKSA-N 2 1 242.363 0.586 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923393862 644402824 /nfs/dbraw/zinc/40/28/24/644402824.db2.gz ZMSPXTNQZKBTRV-WOPDTQHZSA-N 2 1 238.335 0.056 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399357 644404193 /nfs/dbraw/zinc/40/41/93/644404193.db2.gz QYEMFBQGENUQEQ-AVGNSLFASA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399357 644404197 /nfs/dbraw/zinc/40/41/97/644404197.db2.gz QYEMFBQGENUQEQ-AVGNSLFASA-N 2 1 242.363 0.587 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)CCOCC[NH3+] ZINC000923403064 644405933 /nfs/dbraw/zinc/40/59/33/644405933.db2.gz NKEYOAYVAKTYBW-UHFFFAOYSA-N 3 1 215.341 0.036 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)CCOCC[NH3+] ZINC000923403064 644405935 /nfs/dbraw/zinc/40/59/35/644405935.db2.gz NKEYOAYVAKTYBW-UHFFFAOYSA-N 3 1 215.341 0.036 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923415953 644408969 /nfs/dbraw/zinc/40/89/69/644408969.db2.gz SORTWHPAZWMBCE-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408545 644410917 /nfs/dbraw/zinc/41/09/17/644410917.db2.gz ATPBJCHRHDUDRU-QWRGUYRKSA-N 2 1 218.341 0.441 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408545 644410920 /nfs/dbraw/zinc/41/09/20/644410920.db2.gz ATPBJCHRHDUDRU-QWRGUYRKSA-N 2 1 218.341 0.441 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923410475 644410996 /nfs/dbraw/zinc/41/09/96/644410996.db2.gz IEQCQAPSAVTTJE-AVGNSLFASA-N 2 1 244.379 0.689 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409821 644411817 /nfs/dbraw/zinc/41/18/17/644411817.db2.gz UXKLLUIISIMDOG-UTUOFQBUSA-N 2 1 244.404 0.642 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCO)C1 ZINC000923412753 644413214 /nfs/dbraw/zinc/41/32/14/644413214.db2.gz AQIFUWSDDNQICA-NSHDSACASA-N 2 1 200.326 0.676 20 0 BCADMP CN(C)[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421903 644417561 /nfs/dbraw/zinc/41/75/61/644417561.db2.gz PDBZMHXKVUFPGQ-VXGBXAGGSA-N 2 1 239.363 0.001 20 0 BCADMP CN(C)[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421903 644417565 /nfs/dbraw/zinc/41/75/65/644417565.db2.gz PDBZMHXKVUFPGQ-VXGBXAGGSA-N 2 1 239.363 0.001 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432712 644426871 /nfs/dbraw/zinc/42/68/71/644426871.db2.gz IPJUJZRAGCWGJO-NWDGAFQWSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1noc(C[NH3+])n1 ZINC000923436856 644427558 /nfs/dbraw/zinc/42/75/58/644427558.db2.gz QHISKRRPJIVLEI-VGMNWLOBSA-N 2 1 239.323 0.099 20 0 BCADMP N[C@@]1(CO)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470891 644449302 /nfs/dbraw/zinc/44/93/02/644449302.db2.gz BWEKNEPGSCUZHJ-STQMWFEESA-N 2 1 241.379 0.162 20 0 BCADMP N[C@@]1(CO)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470891 644449306 /nfs/dbraw/zinc/44/93/06/644449306.db2.gz BWEKNEPGSCUZHJ-STQMWFEESA-N 2 1 241.379 0.162 20 0 BCADMP COC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869922 644451001 /nfs/dbraw/zinc/45/10/01/644451001.db2.gz HTYBXXVOZDRDML-UHFFFAOYSA-N 2 1 200.282 0.361 20 0 BCADMP N[C@]1(CO)CCC[N@H+](CCCCCC[NH3+])C1 ZINC000923475170 644453898 /nfs/dbraw/zinc/45/38/98/644453898.db2.gz OBVDLDUGTGYLLO-GFCCVEGCSA-N 2 1 229.368 0.291 20 0 BCADMP N[C@]1(CO)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000923475170 644453902 /nfs/dbraw/zinc/45/39/02/644453902.db2.gz OBVDLDUGTGYLLO-GFCCVEGCSA-N 2 1 229.368 0.291 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480640 644459059 /nfs/dbraw/zinc/45/90/59/644459059.db2.gz AWGSHHDPGWRJLL-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000086189372 644459811 /nfs/dbraw/zinc/45/98/11/644459811.db2.gz JFAFQUPRWRWLRM-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495503 644461605 /nfs/dbraw/zinc/46/16/05/644461605.db2.gz WMPUGIJBGCGESQ-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495503 644461613 /nfs/dbraw/zinc/46/16/13/644461613.db2.gz WMPUGIJBGCGESQ-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495291 644461817 /nfs/dbraw/zinc/46/18/17/644461817.db2.gz BFZLKIKKTNGQSQ-KXUCPTDWSA-N 2 1 214.309 0.465 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923491071 644464723 /nfs/dbraw/zinc/46/47/23/644464723.db2.gz QNZOGLWPGMNNKG-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2C[C@H](F)CN2)CC[C@@H]1C[NH3+] ZINC000923489377 644465166 /nfs/dbraw/zinc/46/51/66/644465166.db2.gz JGFOHLYGSMGLJT-USZNOCQGSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H](F)CN2)CC[C@@H]1C[NH3+] ZINC000923489377 644465170 /nfs/dbraw/zinc/46/51/70/644465170.db2.gz JGFOHLYGSMGLJT-USZNOCQGSA-N 2 1 229.343 0.603 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492246 644467706 /nfs/dbraw/zinc/46/77/06/644467706.db2.gz MLLGRVKQUJLQNW-AXFHLTTASA-N 2 1 241.335 0.065 20 0 BCADMP Cc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923492284 644468001 /nfs/dbraw/zinc/46/80/01/644468001.db2.gz BHMKDQVRQRPMHV-SCZZXKLOSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923492284 644468002 /nfs/dbraw/zinc/46/80/02/644468002.db2.gz BHMKDQVRQRPMHV-SCZZXKLOSA-N 2 1 224.308 0.795 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491895 644468219 /nfs/dbraw/zinc/46/82/19/644468219.db2.gz KHCWSSAIOAEABK-VOAKCMCISA-N 3 1 225.380 0.759 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494256 644469699 /nfs/dbraw/zinc/46/96/99/644469699.db2.gz WXLULJOSJDHYHM-CHWSQXEVSA-N 2 1 244.379 0.956 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493993 644469897 /nfs/dbraw/zinc/46/98/97/644469897.db2.gz VFKDKZKPUMWSEP-RWMBFGLXSA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493778 644470149 /nfs/dbraw/zinc/47/01/49/644470149.db2.gz VFKDKZKPUMWSEP-FRRDWIJNSA-N 2 1 244.379 0.689 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503639 644478159 /nfs/dbraw/zinc/47/81/59/644478159.db2.gz KCJABFVUZANYCJ-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC ZINC000923515072 644480064 /nfs/dbraw/zinc/48/00/64/644480064.db2.gz CEJTTWIHUANLQS-QJPTWQEYSA-N 2 1 228.336 0.189 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516176 644481206 /nfs/dbraw/zinc/48/12/06/644481206.db2.gz TYHQEUQURYBASP-ZDEQEGDKSA-N 2 1 224.348 0.953 20 0 BCADMP Nc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521312 644481993 /nfs/dbraw/zinc/48/19/93/644481993.db2.gz MPQHMEVQSOBQEU-NWDGAFQWSA-N 2 1 232.331 0.705 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519413 644482049 /nfs/dbraw/zinc/48/20/49/644482049.db2.gz CMQWOVUKIXZVCD-GARJFASQSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519413 644482055 /nfs/dbraw/zinc/48/20/55/644482055.db2.gz CMQWOVUKIXZVCD-GARJFASQSA-N 2 1 237.347 0.195 20 0 BCADMP OC[C@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923531071 644486145 /nfs/dbraw/zinc/48/61/45/644486145.db2.gz ORFPBINDPORBMO-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000923530537 644487602 /nfs/dbraw/zinc/48/76/02/644487602.db2.gz FNDJUNPOJZNQBM-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP COC[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000923556325 644499898 /nfs/dbraw/zinc/49/98/98/644499898.db2.gz GGZJZXKZIAJCET-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOc2ccccc2[C@@H]1CO ZINC000923555923 644501257 /nfs/dbraw/zinc/50/12/57/644501257.db2.gz YKUVLLSLQNXURL-LBPRGKRZSA-N 2 1 236.315 0.763 20 0 BCADMP [NH3+]CCC[N@H+]1CCOc2ccccc2[C@@H]1CO ZINC000923555923 644501259 /nfs/dbraw/zinc/50/12/59/644501259.db2.gz YKUVLLSLQNXURL-LBPRGKRZSA-N 2 1 236.315 0.763 20 0 BCADMP CCOCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000087976533 644506187 /nfs/dbraw/zinc/50/61/87/644506187.db2.gz JBEUJBVBHDLTKO-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP CCOCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000087976533 644506191 /nfs/dbraw/zinc/50/61/91/644506191.db2.gz JBEUJBVBHDLTKO-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1(CO)CC1 ZINC000782601628 644742339 /nfs/dbraw/zinc/74/23/39/644742339.db2.gz QZVMYBZIUDFOOG-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1(CO)CC1 ZINC000782601628 644742343 /nfs/dbraw/zinc/74/23/43/644742343.db2.gz QZVMYBZIUDFOOG-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000250486883 644759550 /nfs/dbraw/zinc/75/95/50/644759550.db2.gz HIAPYOKMGMUHPW-UTUOFQBUSA-N 2 1 230.352 0.586 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000250486883 644759558 /nfs/dbraw/zinc/75/95/58/644759558.db2.gz HIAPYOKMGMUHPW-UTUOFQBUSA-N 2 1 230.352 0.586 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250459150 644759880 /nfs/dbraw/zinc/75/98/80/644759880.db2.gz KGMDMWMPEZVAGN-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764762 /nfs/dbraw/zinc/76/47/62/644764762.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764769 /nfs/dbraw/zinc/76/47/69/644764769.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764774 /nfs/dbraw/zinc/76/47/74/644764774.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764779 /nfs/dbraw/zinc/76/47/79/644764779.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000250647214 644773966 /nfs/dbraw/zinc/77/39/66/644773966.db2.gz KNJCQJIGBGCWOG-WHOHXGKFSA-N 2 1 210.321 0.977 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415584 644795439 /nfs/dbraw/zinc/79/54/39/644795439.db2.gz XJIHBWWIHLXIFQ-KXNHARMFSA-N 2 1 237.347 0.147 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958415584 644795442 /nfs/dbraw/zinc/79/54/42/644795442.db2.gz XJIHBWWIHLXIFQ-KXNHARMFSA-N 2 1 237.347 0.147 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958415584 644795448 /nfs/dbraw/zinc/79/54/48/644795448.db2.gz XJIHBWWIHLXIFQ-KXNHARMFSA-N 2 1 237.347 0.147 20 0 BCADMP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251831522 644825534 /nfs/dbraw/zinc/82/55/34/644825534.db2.gz PONCDQVTAGYBHB-QWRGUYRKSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415950 644848831 /nfs/dbraw/zinc/84/88/31/644848831.db2.gz MRFTYXKMWQVWNS-SDDRHHMPSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668105 644875641 /nfs/dbraw/zinc/87/56/41/644875641.db2.gz RSNXHFVXUAIZOL-QWRGUYRKSA-N 2 1 240.351 0.372 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304334586 644893898 /nfs/dbraw/zinc/89/38/98/644893898.db2.gz ICSFPLKSXOYREI-WDEREUQCSA-N 2 1 225.336 0.182 20 0 BCADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1OC ZINC000252785458 644907048 /nfs/dbraw/zinc/90/70/48/644907048.db2.gz PCOVWRHHOGRSDI-YNEHKIRRSA-N 2 1 242.363 0.863 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304601942 644919756 /nfs/dbraw/zinc/91/97/56/644919756.db2.gz VKXYZYFXQPZLRK-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000844185031 645316141 /nfs/dbraw/zinc/31/61/41/645316141.db2.gz DJCBSQKFFDXYRB-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CN1CC[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926894237 645480341 /nfs/dbraw/zinc/48/03/41/645480341.db2.gz LXHANOZKFNIFFA-FXJUQPSGSA-N 2 1 223.364 0.620 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000113163931 645519828 /nfs/dbraw/zinc/51/98/28/645519828.db2.gz VFPPKZWPMVLWMR-SNVBAGLBSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](CO)C1 ZINC000927145947 645569814 /nfs/dbraw/zinc/56/98/14/645569814.db2.gz TZVHOZCTUCETGA-POVTYCQASA-N 2 1 224.348 0.687 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000928437544 645742987 /nfs/dbraw/zinc/74/29/87/645742987.db2.gz XERLQUWZSVTOKA-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000928437544 645742995 /nfs/dbraw/zinc/74/29/95/645742995.db2.gz XERLQUWZSVTOKA-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429756 645745823 /nfs/dbraw/zinc/74/58/23/645745823.db2.gz RVTLXEODLYPVEC-BBBLOLIVSA-N 2 1 213.325 0.145 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928429757 645747952 /nfs/dbraw/zinc/74/79/52/645747952.db2.gz RVTLXEODLYPVEC-GUBZILKMSA-N 2 1 213.325 0.145 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928432865 645749497 /nfs/dbraw/zinc/74/94/97/645749497.db2.gz KXCWAJAQDMTIJC-ONGXEEELSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928432865 645749507 /nfs/dbraw/zinc/74/95/07/645749507.db2.gz KXCWAJAQDMTIJC-ONGXEEELSA-N 2 1 236.319 0.400 20 0 BCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436428 645755309 /nfs/dbraw/zinc/75/53/09/645755309.db2.gz GCJIPUCYEWADAZ-GRYCIOLGSA-N 2 1 241.379 0.781 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371294 645794051 /nfs/dbraw/zinc/79/40/51/645794051.db2.gz DEVASDJKXPZUMO-WCQYABFASA-N 2 1 248.330 0.259 20 0 BCADMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C)CC(C)(C)C ZINC000928552787 645806605 /nfs/dbraw/zinc/80/66/05/645806605.db2.gz WMVXCZGGNMTIFU-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C)CC(C)(C)C ZINC000928552787 645806608 /nfs/dbraw/zinc/80/66/08/645806608.db2.gz WMVXCZGGNMTIFU-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C)CC(C)(C)C ZINC000928552787 645806611 /nfs/dbraw/zinc/80/66/11/645806611.db2.gz WMVXCZGGNMTIFU-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C)CC(C)(C)C ZINC000928552787 645806615 /nfs/dbraw/zinc/80/66/15/645806615.db2.gz WMVXCZGGNMTIFU-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2C)CCC1 ZINC000928553663 645811257 /nfs/dbraw/zinc/81/12/57/645811257.db2.gz CBCLRUIHZPAROU-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+]2C)CCC1 ZINC000928553663 645811260 /nfs/dbraw/zinc/81/12/60/645811260.db2.gz CBCLRUIHZPAROU-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000928557402 645816044 /nfs/dbraw/zinc/81/60/44/645816044.db2.gz RWIKQCQIMPGIGC-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000928557402 645816047 /nfs/dbraw/zinc/81/60/47/645816047.db2.gz RWIKQCQIMPGIGC-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000928557402 645816051 /nfs/dbraw/zinc/81/60/51/645816051.db2.gz RWIKQCQIMPGIGC-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000127234205 645820219 /nfs/dbraw/zinc/82/02/19/645820219.db2.gz KMDITWDBOPCEMW-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562704 645824701 /nfs/dbraw/zinc/82/47/01/645824701.db2.gz JZXKKRMEPYGOJP-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562704 645824705 /nfs/dbraw/zinc/82/47/05/645824705.db2.gz JZXKKRMEPYGOJP-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)COC1 ZINC000925483781 645917163 /nfs/dbraw/zinc/91/71/63/645917163.db2.gz YKWICSJBLFTPGQ-JTQLQIEISA-N 2 1 210.321 0.897 20 0 BCADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924988985 646151369 /nfs/dbraw/zinc/15/13/69/646151369.db2.gz FDVQHGZFECQMAQ-AGIUHOORSA-N 2 1 244.379 0.560 20 0 BCADMP C[C@H]1CC2(CC([NH2+]C[C@H](O)C[NH+](C)C)C2)CO1 ZINC000924993180 646151776 /nfs/dbraw/zinc/15/17/76/646151776.db2.gz PJPSNMZPQFDUSS-QCXCNERSSA-N 2 1 242.363 0.456 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924993880 646152135 /nfs/dbraw/zinc/15/21/35/646152135.db2.gz MRIMBDKRNXWCLD-RNJOBUHISA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924995852 646155465 /nfs/dbraw/zinc/15/54/65/646155465.db2.gz ZJLWJCSARGYHNP-MXWKQRLJSA-N 2 1 214.353 0.933 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)COC1 ZINC000925049696 646169560 /nfs/dbraw/zinc/16/95/60/646169560.db2.gz UGSVWDXMCMQNJB-FOSCPWQOSA-N 2 1 224.348 0.953 20 0 BCADMP CC[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638030 646217238 /nfs/dbraw/zinc/21/72/38/646217238.db2.gz UHTKDCVYXBFSIX-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925305190 646235289 /nfs/dbraw/zinc/23/52/89/646235289.db2.gz AMPVPTKXZMJOLZ-GHMZBOCLSA-N 2 1 240.351 0.036 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000925305190 646235296 /nfs/dbraw/zinc/23/52/96/646235296.db2.gz AMPVPTKXZMJOLZ-GHMZBOCLSA-N 2 1 240.351 0.036 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929747446 646279884 /nfs/dbraw/zinc/27/98/84/646279884.db2.gz CSNHEWQKVMWDGM-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929747446 646279888 /nfs/dbraw/zinc/27/98/88/646279888.db2.gz CSNHEWQKVMWDGM-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000925494265 646302067 /nfs/dbraw/zinc/30/20/67/646302067.db2.gz JKWPPIIQSJZYRY-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929780360 646308038 /nfs/dbraw/zinc/30/80/38/646308038.db2.gz QTQTXPIZSGVNNY-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929780360 646308044 /nfs/dbraw/zinc/30/80/44/646308044.db2.gz QTQTXPIZSGVNNY-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929780360 646308052 /nfs/dbraw/zinc/30/80/52/646308052.db2.gz QTQTXPIZSGVNNY-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929780360 646308059 /nfs/dbraw/zinc/30/80/59/646308059.db2.gz QTQTXPIZSGVNNY-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782909 646308161 /nfs/dbraw/zinc/30/81/61/646308161.db2.gz MZMFJNWYVNYFRS-NOOOWODRSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782909 646308167 /nfs/dbraw/zinc/30/81/67/646308167.db2.gz MZMFJNWYVNYFRS-NOOOWODRSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782909 646308172 /nfs/dbraw/zinc/30/81/72/646308172.db2.gz MZMFJNWYVNYFRS-NOOOWODRSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782909 646308175 /nfs/dbraw/zinc/30/81/75/646308175.db2.gz MZMFJNWYVNYFRS-NOOOWODRSA-N 2 1 230.352 0.143 20 0 BCADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929779284 646309683 /nfs/dbraw/zinc/30/96/83/646309683.db2.gz YNMQEMHKNMIKLM-YPMHNXCESA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929779284 646309684 /nfs/dbraw/zinc/30/96/84/646309684.db2.gz YNMQEMHKNMIKLM-YPMHNXCESA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925515361 646311319 /nfs/dbraw/zinc/31/13/19/646311319.db2.gz HSMJNKFPKQBPJI-IJLUTSLNSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925515359 646311433 /nfs/dbraw/zinc/31/14/33/646311433.db2.gz HSMJNKFPKQBPJI-GRYCIOLGSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000925527355 646316564 /nfs/dbraw/zinc/31/65/64/646316564.db2.gz TXEXHQFEWZQBTO-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2COCCO2)C1 ZINC000929791329 646321148 /nfs/dbraw/zinc/32/11/48/646321148.db2.gz SBOSQSIVOUQIBH-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2COCCO2)C1 ZINC000929791329 646321151 /nfs/dbraw/zinc/32/11/51/646321151.db2.gz SBOSQSIVOUQIBH-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000929791329 646321155 /nfs/dbraw/zinc/32/11/55/646321155.db2.gz SBOSQSIVOUQIBH-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2COCCO2)C1 ZINC000929791329 646321156 /nfs/dbraw/zinc/32/11/56/646321156.db2.gz SBOSQSIVOUQIBH-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550390 646327025 /nfs/dbraw/zinc/32/70/25/646327025.db2.gz LUDUNSGZYZGCBZ-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565737 646331281 /nfs/dbraw/zinc/33/12/81/646331281.db2.gz XKHSXDNVUZCYFI-QWRGUYRKSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925573528 646342624 /nfs/dbraw/zinc/34/26/24/646342624.db2.gz OFUMFSMMQPAOJS-UWVGGRQHSA-N 2 1 225.336 0.515 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925605231 646357053 /nfs/dbraw/zinc/35/70/53/646357053.db2.gz DJQBUYNWAOYBMA-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925605844 646358433 /nfs/dbraw/zinc/35/84/33/646358433.db2.gz GHQPJJMZWOIGEC-JTQLQIEISA-N 2 1 241.379 0.879 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925610913 646360140 /nfs/dbraw/zinc/36/01/40/646360140.db2.gz ITLLZYCFIAPYFC-MWLCHTKSSA-N 2 1 216.325 0.114 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925609931 646360302 /nfs/dbraw/zinc/36/03/02/646360302.db2.gz BPWZSMAFALRTDH-ZYHUDNBSSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925609364 646360629 /nfs/dbraw/zinc/36/06/29/646360629.db2.gz TZGLDAFFVZIQGJ-PWSUYJOCSA-N 2 1 212.337 0.878 20 0 BCADMP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925616001 646364667 /nfs/dbraw/zinc/36/46/67/646364667.db2.gz JTHGOXCKCPPOMN-SECBINFHSA-N 2 1 200.326 0.735 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000925624001 646369484 /nfs/dbraw/zinc/36/94/84/646369484.db2.gz XIIIERAOQUGDPE-ZJUUUORDSA-N 2 1 235.335 0.323 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925624713 646369567 /nfs/dbraw/zinc/36/95/67/646369567.db2.gz AULZUVDNJDDWFM-NSHDSACASA-N 2 1 241.379 0.879 20 0 BCADMP COC[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925632651 646375630 /nfs/dbraw/zinc/37/56/30/646375630.db2.gz XFKRZWIEGRRJBE-AYAQEJOPSA-N 2 1 210.321 0.607 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668032 646398619 /nfs/dbraw/zinc/39/86/19/646398619.db2.gz FNVZOEOTTCJIPJ-NWDGAFQWSA-N 2 1 229.368 0.293 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925670077 646400096 /nfs/dbraw/zinc/40/00/96/646400096.db2.gz HOZWXVGHXWKASV-NSHDSACASA-N 2 1 242.363 0.648 20 0 BCADMP C[N@H+]1CCC[C@@H](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925686376 646412407 /nfs/dbraw/zinc/41/24/07/646412407.db2.gz SKUPHKONDHVJSJ-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CNCCOC2)C1 ZINC000925686376 646412413 /nfs/dbraw/zinc/41/24/13/646412413.db2.gz SKUPHKONDHVJSJ-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CNCCOC2)C1 ZINC000925686376 646412414 /nfs/dbraw/zinc/41/24/14/646412414.db2.gz SKUPHKONDHVJSJ-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP O=C1NCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925685489 646412873 /nfs/dbraw/zinc/41/28/73/646412873.db2.gz JOFIVZUFPPFFHI-GHMZBOCLSA-N 2 1 237.347 0.387 20 0 BCADMP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925701807 646424563 /nfs/dbraw/zinc/42/45/63/646424563.db2.gz GBKFIERODDDZLK-UWVGGRQHSA-N 2 1 237.351 0.811 20 0 BCADMP C1[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C12CC[NH2+]CC2 ZINC000925703638 646427716 /nfs/dbraw/zinc/42/77/16/646427716.db2.gz DNMBMDVLLDIPCE-XNBXPENISA-N 2 1 247.386 0.715 20 0 BCADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000925704008 646428927 /nfs/dbraw/zinc/42/89/27/646428927.db2.gz FSHGCBAJXSEIIP-IJLUTSLNSA-N 3 1 241.379 0.470 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094510 646431749 /nfs/dbraw/zinc/43/17/49/646431749.db2.gz KIZGVWCBLMOUFH-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+]C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925709690 646434564 /nfs/dbraw/zinc/43/45/64/646434564.db2.gz PSSQIRDJGJWCPP-UTUOFQBUSA-N 2 1 223.364 0.988 20 0 BCADMP CO[C@@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925711530 646437705 /nfs/dbraw/zinc/43/77/05/646437705.db2.gz MNPWVPIDFXRMQN-NEJQNHLGSA-N 2 1 210.321 0.607 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925719363 646444977 /nfs/dbraw/zinc/44/49/77/646444977.db2.gz SVUIUTDUWFCQKH-GFCCVEGCSA-N 3 1 241.379 0.616 20 0 BCADMP C[C@@H]([NH2+]CCN1CCNC1=O)c1c[nH+]ccc1N ZINC000925776721 646475115 /nfs/dbraw/zinc/47/51/15/646475115.db2.gz IBMFZCJXISJMEY-SECBINFHSA-N 2 1 249.318 0.170 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000925781369 646477998 /nfs/dbraw/zinc/47/79/98/646477998.db2.gz DMCGMCUZPLVCGB-HNCHTBHHSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925785346 646481067 /nfs/dbraw/zinc/48/10/67/646481067.db2.gz WJZDYNBEXPPJTH-MROQNXINSA-N 2 1 223.364 0.811 20 0 BCADMP CN1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1=O ZINC000925807509 646490818 /nfs/dbraw/zinc/49/08/18/646490818.db2.gz BGLGWXWZYKNDRB-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)CN(C)C ZINC000925836230 646503954 /nfs/dbraw/zinc/50/39/54/646503954.db2.gz JCJGWZHDTDMCHM-RWMBFGLXSA-N 2 1 243.395 0.813 20 0 BCADMP C1C[C@@H]([NH2+][C@@H]2CNOC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925860259 646513391 /nfs/dbraw/zinc/51/33/91/646513391.db2.gz OHFLSYQZDYOFFV-FDYHWXHSSA-N 2 1 239.363 0.790 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CNOC1)[NH2+]2 ZINC000925863657 646516517 /nfs/dbraw/zinc/51/65/17/646516517.db2.gz DHERHYKXLAGNMA-ZKKRXERASA-N 2 1 211.309 0.008 20 0 BCADMP C[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880176 646529387 /nfs/dbraw/zinc/52/93/87/646529387.db2.gz PHVRMSACXZBQCJ-USZNOCQGSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926173546 646588589 /nfs/dbraw/zinc/58/85/89/646588589.db2.gz LDUFMMSAFDQDMX-OCCSQVGLSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926173546 646588596 /nfs/dbraw/zinc/58/85/96/646588596.db2.gz LDUFMMSAFDQDMX-OCCSQVGLSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H](Cc1ccccn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926173548 646588674 /nfs/dbraw/zinc/58/86/74/646588674.db2.gz LDUFMMSAFDQDMX-TZMCWYRMSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H](Cc1ccccn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926173548 646588679 /nfs/dbraw/zinc/58/86/79/646588679.db2.gz LDUFMMSAFDQDMX-TZMCWYRMSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)CO ZINC000926175592 646589054 /nfs/dbraw/zinc/58/90/54/646589054.db2.gz YUFWHIUEKSYJNH-ZYHUDNBSSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)CO ZINC000926175592 646589057 /nfs/dbraw/zinc/58/90/57/646589057.db2.gz YUFWHIUEKSYJNH-ZYHUDNBSSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926174501 646589104 /nfs/dbraw/zinc/58/91/04/646589104.db2.gz SCIVQGSGWSIJFF-WZRBSPASSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926174501 646589106 /nfs/dbraw/zinc/58/91/06/646589106.db2.gz SCIVQGSGWSIJFF-WZRBSPASSA-N 2 1 242.363 0.314 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723690944 711534223 /nfs/dbraw/zinc/53/42/23/711534223.db2.gz CRQLUDUVBGYEEX-SECBINFHSA-N 2 1 210.281 0.549 20 0 BCADMP CCc1noc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723701870 711535490 /nfs/dbraw/zinc/53/54/90/711535490.db2.gz VYGFWMYUSLRXFQ-VIFPVBQESA-N 2 1 224.308 0.803 20 0 BCADMP CCc1noc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723701870 711535500 /nfs/dbraw/zinc/53/55/00/711535500.db2.gz VYGFWMYUSLRXFQ-VIFPVBQESA-N 2 1 224.308 0.803 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708772 711535391 /nfs/dbraw/zinc/53/53/91/711535391.db2.gz ICHKAEHCJAXKOI-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703739 711535759 /nfs/dbraw/zinc/53/57/59/711535759.db2.gz VRWKEXMHERRQIP-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703739 711535761 /nfs/dbraw/zinc/53/57/61/711535761.db2.gz VRWKEXMHERRQIP-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP Cc1cn[nH]c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703739 711535762 /nfs/dbraw/zinc/53/57/62/711535762.db2.gz VRWKEXMHERRQIP-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724555115 711589671 /nfs/dbraw/zinc/58/96/71/711589671.db2.gz BLYPHTMUTJKCGC-VWYCJHECSA-N 2 1 214.309 0.071 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000382289329 711621275 /nfs/dbraw/zinc/62/12/75/711621275.db2.gz QKVWBBWOKKUGIA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724913210 711626840 /nfs/dbraw/zinc/62/68/40/711626840.db2.gz FPDHMZKQPLDYCE-MNOVXSKESA-N 2 1 214.309 0.073 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000724887069 711625647 /nfs/dbraw/zinc/62/56/47/711625647.db2.gz NPEFJSOVPXBIHV-FDYHWXHSSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000724887069 711625650 /nfs/dbraw/zinc/62/56/50/711625650.db2.gz NPEFJSOVPXBIHV-FDYHWXHSSA-N 2 1 242.363 0.863 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724912402 711627041 /nfs/dbraw/zinc/62/70/41/711627041.db2.gz CWOFGRGSHXIXCA-IJLUTSLNSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000383376610 711657556 /nfs/dbraw/zinc/65/75/56/711657556.db2.gz DASRKNDRVKMKCA-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000383376610 711657558 /nfs/dbraw/zinc/65/75/58/711657558.db2.gz DASRKNDRVKMKCA-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000383376610 711657559 /nfs/dbraw/zinc/65/75/59/711657559.db2.gz DASRKNDRVKMKCA-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396745499 711703389 /nfs/dbraw/zinc/70/33/89/711703389.db2.gz YAZKRBUHMYAMLK-QWRGUYRKSA-N 2 1 241.335 0.416 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779424 /nfs/dbraw/zinc/77/94/24/711779424.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779425 /nfs/dbraw/zinc/77/94/25/711779425.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779427 /nfs/dbraw/zinc/77/94/27/711779427.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2COCC2(C)C)C1 ZINC000702603379 712056652 /nfs/dbraw/zinc/05/66/52/712056652.db2.gz MUVBHSKECUZGDI-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2COCC2(C)C)C1 ZINC000702603379 712056653 /nfs/dbraw/zinc/05/66/53/712056653.db2.gz MUVBHSKECUZGDI-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703588691 712080058 /nfs/dbraw/zinc/08/00/58/712080058.db2.gz WSKGXKWLRBOQEV-ILDUYXDCSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660750 712135198 /nfs/dbraw/zinc/13/51/98/712135198.db2.gz VLFGZEFEIHVTFU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660750 712135199 /nfs/dbraw/zinc/13/51/99/712135199.db2.gz VLFGZEFEIHVTFU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705660750 712135200 /nfs/dbraw/zinc/13/52/00/712135200.db2.gz VLFGZEFEIHVTFU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705660750 712135201 /nfs/dbraw/zinc/13/52/01/712135201.db2.gz VLFGZEFEIHVTFU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000707240532 712167533 /nfs/dbraw/zinc/16/75/33/712167533.db2.gz MGJALIRNJJZBLP-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP COC[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)OC ZINC000708112717 712182161 /nfs/dbraw/zinc/18/21/61/712182161.db2.gz SBEHLQKRGJHXPM-GMTAPVOTSA-N 2 1 216.325 0.174 20 0 BCADMP CN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000708522866 712211596 /nfs/dbraw/zinc/21/15/96/712211596.db2.gz KILJVTNEZVOCFH-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709779616 712217678 /nfs/dbraw/zinc/21/76/78/712217678.db2.gz VRZLXKMAEPKVPH-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000710955725 712267767 /nfs/dbraw/zinc/26/77/67/712267767.db2.gz DEFAGNYUOZGDOZ-WDEREUQCSA-N 2 1 230.352 0.925 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000710966821 712269797 /nfs/dbraw/zinc/26/97/97/712269797.db2.gz LHYFGEGXQOEKPQ-NSHDSACASA-N 2 1 239.319 0.704 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711312468 712293435 /nfs/dbraw/zinc/29/34/35/712293435.db2.gz WCDQOWFTUWRSDE-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC1CC1 ZINC000711705052 712318675 /nfs/dbraw/zinc/31/86/75/712318675.db2.gz SKJHIPRFHBRWIC-WDEREUQCSA-N 2 1 210.321 0.707 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381548179 712396204 /nfs/dbraw/zinc/39/62/04/712396204.db2.gz LMWJKCZKRYDFRQ-TUAOUCFPSA-N 2 1 228.336 0.055 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712597113 712435959 /nfs/dbraw/zinc/43/59/59/712435959.db2.gz KZIRTNDKLGGBFJ-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCN(C(=O)CC2([NH3+])CC2)CCC1(C)C ZINC000712621202 712438825 /nfs/dbraw/zinc/43/88/25/712438825.db2.gz GNCKXVVGAGHTNW-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713657000 712468610 /nfs/dbraw/zinc/46/86/10/712468610.db2.gz ITEBPYMQMPMSNV-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713657000 712468611 /nfs/dbraw/zinc/46/86/11/712468611.db2.gz ITEBPYMQMPMSNV-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000713657000 712468612 /nfs/dbraw/zinc/46/86/12/712468612.db2.gz ITEBPYMQMPMSNV-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000713657000 712468613 /nfs/dbraw/zinc/46/86/13/712468613.db2.gz ITEBPYMQMPMSNV-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@H+](CCCF)C[C@@H](O)C[NH+]1CCCC1 ZINC000716748685 712571969 /nfs/dbraw/zinc/57/19/69/712571969.db2.gz RVENWHCAPJCTHW-LLVKDONJSA-N 2 1 218.316 0.735 20 0 BCADMP C[N@@H+](CCCF)C[C@@H](O)C[NH+]1CCCC1 ZINC000716748685 712571970 /nfs/dbraw/zinc/57/19/70/712571970.db2.gz RVENWHCAPJCTHW-LLVKDONJSA-N 2 1 218.316 0.735 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485374 712650708 /nfs/dbraw/zinc/65/07/08/712650708.db2.gz FXZBNNDWKTWROK-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037484892 712650716 /nfs/dbraw/zinc/65/07/16/712650716.db2.gz HPIAPYGMKSRFAB-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000717416366 712656728 /nfs/dbraw/zinc/65/67/28/712656728.db2.gz BCSRYHUPMREOIV-NOOOWODRSA-N 2 1 212.337 0.687 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000389681764 712689907 /nfs/dbraw/zinc/68/99/07/712689907.db2.gz XWTWXLGQEWEXNQ-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1[C@@H](NC[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000719634352 712814948 /nfs/dbraw/zinc/81/49/48/712814948.db2.gz BLGYUSGOPPUTFS-WXHSDQCUSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000719634352 712814951 /nfs/dbraw/zinc/81/49/51/712814951.db2.gz BLGYUSGOPPUTFS-WXHSDQCUSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](C)CC1 ZINC000719783306 712824515 /nfs/dbraw/zinc/82/45/15/712824515.db2.gz SFYHMQSXVGZNRL-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000380232963 712835314 /nfs/dbraw/zinc/83/53/14/712835314.db2.gz RUTTXZVAYXWDTJ-OLZOCXBDSA-N 2 1 240.347 0.724 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCO)C[C@@H]1C(F)(F)F ZINC000720868406 712872240 /nfs/dbraw/zinc/87/22/40/712872240.db2.gz BBWAXBLSONSPSI-RQJHMYQMSA-N 2 1 212.215 0.048 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCO)C[C@@H]1C(F)(F)F ZINC000720868406 712872242 /nfs/dbraw/zinc/87/22/42/712872242.db2.gz BBWAXBLSONSPSI-RQJHMYQMSA-N 2 1 212.215 0.048 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900859 712875491 /nfs/dbraw/zinc/87/54/91/712875491.db2.gz RULDLJZECXBJEE-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720894652 712875693 /nfs/dbraw/zinc/87/56/93/712875693.db2.gz WGWKBLQNRYCSSF-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720897518 712876685 /nfs/dbraw/zinc/87/66/85/712876685.db2.gz HTKCPCDZEOIPMH-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720896729 712876726 /nfs/dbraw/zinc/87/67/26/712876726.db2.gz DHSIGCVARHPOKH-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040320 712887752 /nfs/dbraw/zinc/88/77/52/712887752.db2.gz QPKXUGUJSUGLLP-MXWKQRLJSA-N 2 1 227.352 0.156 20 0 BCADMP CCC[N@@H+](CCCCCC[NH3+])CC(=O)NC ZINC000381192867 710607579 /nfs/dbraw/zinc/60/75/79/710607579.db2.gz ZDWANQJPALVDJV-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C(C1CCOCC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381269476 710615010 /nfs/dbraw/zinc/61/50/10/710615010.db2.gz VFSCJENIKFYBEU-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(C(F)F)C2)C1 ZINC000381486243 710644939 /nfs/dbraw/zinc/64/49/39/710644939.db2.gz VKSYSCNOEWHWEX-AMUVOQDHSA-N 2 1 234.290 0.686 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(C(F)F)C2)C1 ZINC000381486243 710644940 /nfs/dbraw/zinc/64/49/40/710644940.db2.gz VKSYSCNOEWHWEX-AMUVOQDHSA-N 2 1 234.290 0.686 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381506470 710649108 /nfs/dbraw/zinc/64/91/08/710649108.db2.gz FBPOXCKNWIVNCY-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381506470 710649109 /nfs/dbraw/zinc/64/91/09/710649109.db2.gz FBPOXCKNWIVNCY-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000381506470 710649112 /nfs/dbraw/zinc/64/91/12/710649112.db2.gz FBPOXCKNWIVNCY-YNEHKIRRSA-N 2 1 226.364 0.887 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C(C)C ZINC000721910048 710692577 /nfs/dbraw/zinc/69/25/77/710692577.db2.gz CWHHPOWXEWPCDF-NWDGAFQWSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C(C)C ZINC000721910048 710692582 /nfs/dbraw/zinc/69/25/82/710692582.db2.gz CWHHPOWXEWPCDF-NWDGAFQWSA-N 2 1 230.352 0.565 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000380456209 712901009 /nfs/dbraw/zinc/90/10/09/712901009.db2.gz JSPTWZTWXVAEHI-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000380456209 712901010 /nfs/dbraw/zinc/90/10/10/712901010.db2.gz JSPTWZTWXVAEHI-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028041 710716926 /nfs/dbraw/zinc/71/69/26/710716926.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028041 710716927 /nfs/dbraw/zinc/71/69/27/710716927.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028041 710716932 /nfs/dbraw/zinc/71/69/32/710716932.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCC[NH3+] ZINC000381839922 710733097 /nfs/dbraw/zinc/73/30/97/710733097.db2.gz STZOPVOZNICFCO-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000723891078 710733116 /nfs/dbraw/zinc/73/31/16/710733116.db2.gz JVAGBRCFILZBCI-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC[NH3+] ZINC000381839912 710733144 /nfs/dbraw/zinc/73/31/44/710733144.db2.gz STZOPVOZNICFCO-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000380525862 712901307 /nfs/dbraw/zinc/90/13/07/712901307.db2.gz WCFDAODIURFZIU-KKOKHZNYSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000380525862 712901308 /nfs/dbraw/zinc/90/13/08/712901308.db2.gz WCFDAODIURFZIU-KKOKHZNYSA-N 2 1 212.337 0.951 20 0 BCADMP C[N@H+](CCO[C@H]1CCOC1)[C@H](CN)C1CC1 ZINC000724917214 710748645 /nfs/dbraw/zinc/74/86/45/710748645.db2.gz XGZIVSVPEQMUSL-NWDGAFQWSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)[C@H](CN)C1CC1 ZINC000724917214 710748646 /nfs/dbraw/zinc/74/86/46/710748646.db2.gz XGZIVSVPEQMUSL-NWDGAFQWSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CCO[C@H]1CCOC1)[C@H](C[NH3+])C1CC1 ZINC000724917214 710748647 /nfs/dbraw/zinc/74/86/47/710748647.db2.gz XGZIVSVPEQMUSL-NWDGAFQWSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)[C@H](C[NH3+])C1CC1 ZINC000724917214 710748650 /nfs/dbraw/zinc/74/86/50/710748650.db2.gz XGZIVSVPEQMUSL-NWDGAFQWSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000724995988 710753136 /nfs/dbraw/zinc/75/31/36/710753136.db2.gz XSZCSKLWKMOMGU-JHJVBQTASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000382502891 710971388 /nfs/dbraw/zinc/97/13/88/710971388.db2.gz RXWAIBXQFDPTFH-LBPRGKRZSA-N 2 1 225.336 0.326 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000382528966 710972512 /nfs/dbraw/zinc/97/25/12/710972512.db2.gz IYSPRZUGSNFZTD-SNVBAGLBSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](CCCCCC[NH3+])CC(=O)N(C)C ZINC000390582470 711127152 /nfs/dbraw/zinc/12/71/52/711127152.db2.gz PWAYCPCLZUFDJL-UHFFFAOYSA-N 2 1 229.368 0.916 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000390669852 711130953 /nfs/dbraw/zinc/13/09/53/711130953.db2.gz VDWHFLJTDQLAOD-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCCO1 ZINC000392901172 711153559 /nfs/dbraw/zinc/15/35/59/711153559.db2.gz QBODZQSBQAMALO-MCDVFOBDSA-N 2 1 222.332 0.751 20 0 BCADMP CN1CCC[NH+]=C1NCC[N@H+]1CC=CCC1 ZINC000392971870 711155213 /nfs/dbraw/zinc/15/52/13/711155213.db2.gz VJKHKKIPCBNKTP-UHFFFAOYSA-N 2 1 222.336 0.529 20 0 BCADMP CN1CCC[NH+]=C1NCC[N@@H+]1CC=CCC1 ZINC000392971870 711155216 /nfs/dbraw/zinc/15/52/16/711155216.db2.gz VJKHKKIPCBNKTP-UHFFFAOYSA-N 2 1 222.336 0.529 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)C1CC1 ZINC000393761043 711172323 /nfs/dbraw/zinc/17/23/23/711172323.db2.gz WRTXKBHBVXNYQE-LBPRGKRZSA-N 2 1 223.320 0.942 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000393882301 711177937 /nfs/dbraw/zinc/17/79/37/711177937.db2.gz NKTXKVNOXWZSAB-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000394158167 711187533 /nfs/dbraw/zinc/18/75/33/711187533.db2.gz UBYUUEVJJPOSPE-DBWOOVFOSA-N 2 1 249.402 0.914 20 0 BCADMP CS[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000395031465 711200836 /nfs/dbraw/zinc/20/08/36/711200836.db2.gz UXRAMRNZEIVSSG-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP CS[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000395031465 711200841 /nfs/dbraw/zinc/20/08/41/711200841.db2.gz UXRAMRNZEIVSSG-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP CN1CCC[NH+]=C1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000395132319 711204032 /nfs/dbraw/zinc/20/40/32/711204032.db2.gz QVEDFKKPVKIGTO-LLVKDONJSA-N 2 1 236.363 0.752 20 0 BCADMP COCC(COC)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000395384835 711210588 /nfs/dbraw/zinc/21/05/88/711210588.db2.gz MQSDBWXYQXMQPS-LLVKDONJSA-N 2 1 216.325 0.319 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396582797 711357323 /nfs/dbraw/zinc/35/73/23/711357323.db2.gz PWCFKJOYYKWWNI-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396592661 711359473 /nfs/dbraw/zinc/35/94/73/711359473.db2.gz ULSPDOVGMQQXGM-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396607637 711359879 /nfs/dbraw/zinc/35/98/79/711359879.db2.gz IZJPCZOCIHTJBU-GHMZBOCLSA-N 2 1 227.352 0.633 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCSCC1 ZINC000396732480 711367971 /nfs/dbraw/zinc/36/79/71/711367971.db2.gz YAUQJBQYSOKDPV-RYUDHWBXSA-N 2 1 243.420 0.765 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCSCC1 ZINC000396732481 711368105 /nfs/dbraw/zinc/36/81/05/711368105.db2.gz YAUQJBQYSOKDPV-VXGBXAGGSA-N 2 1 243.420 0.765 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396745498 711369531 /nfs/dbraw/zinc/36/95/31/711369531.db2.gz YAZKRBUHMYAMLK-MNOVXSKESA-N 2 1 241.335 0.416 20 0 BCADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H](O)C[NH3+] ZINC000399257270 711424847 /nfs/dbraw/zinc/42/48/47/711424847.db2.gz MRRDVTOCEAARAK-SFYZADRCSA-N 2 1 241.162 0.822 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC1CC1 ZINC000381091762 710601990 /nfs/dbraw/zinc/60/19/90/710601990.db2.gz VIVMISZVYNQNNT-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000381093236 710602185 /nfs/dbraw/zinc/60/21/85/710602185.db2.gz VVCJUCWQLYYRHD-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963826 710696353 /nfs/dbraw/zinc/69/63/53/710696353.db2.gz LVZUVYDBLURWEX-WDEREUQCSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963826 710696354 /nfs/dbraw/zinc/69/63/54/710696354.db2.gz LVZUVYDBLURWEX-WDEREUQCSA-N 2 1 200.326 0.938 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724561206 710741840 /nfs/dbraw/zinc/74/18/40/710741840.db2.gz AKHFRFBCKQVEKD-WXHSDQCUSA-N 2 1 240.347 0.474 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724563546 710741959 /nfs/dbraw/zinc/74/19/59/710741959.db2.gz NGMDFFFKEZVFBO-ZDEQEGDKSA-N 2 1 240.347 0.332 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724564295 710742297 /nfs/dbraw/zinc/74/22/97/710742297.db2.gz VJNFHTDFTRRXRT-FIQHERPVSA-N 2 1 226.320 0.071 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000903091789 710890750 /nfs/dbraw/zinc/89/07/50/710890750.db2.gz ATOFWUVUWQCCEP-RYUDHWBXSA-N 2 1 242.363 0.600 20 0 BCADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383177606 710979121 /nfs/dbraw/zinc/97/91/21/710979121.db2.gz OZFWDPYPFHNTTA-UXFOBHDTSA-N 2 1 236.359 0.732 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000385008643 711002524 /nfs/dbraw/zinc/00/25/24/711002524.db2.gz XGSRWIZJBSYNFU-WCFLWFBJSA-N 2 1 242.363 0.707 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000389985828 711101905 /nfs/dbraw/zinc/10/19/05/711101905.db2.gz LZVHFUCVNDBHJO-NEPJUHHUSA-N 2 1 212.337 0.831 20 0 BCADMP Cn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000389834303 711090819 /nfs/dbraw/zinc/09/08/19/711090819.db2.gz MIVRHBJSFHFWTJ-MWLCHTKSSA-N 2 1 223.324 0.422 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000389985831 711101695 /nfs/dbraw/zinc/10/16/95/711101695.db2.gz LZVHFUCVNDBHJO-VXGBXAGGSA-N 2 1 212.337 0.831 20 0 BCADMP C1=CC[N@@H+](CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392264828 711144958 /nfs/dbraw/zinc/14/49/58/711144958.db2.gz VJRSWXKUKLWACF-LXFSFDBISA-N 2 1 247.386 0.834 20 0 BCADMP C1=CC[N@@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392264829 711145176 /nfs/dbraw/zinc/14/51/76/711145176.db2.gz VJRSWXKUKLWACF-XPABHHOTSA-N 2 1 247.386 0.834 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000396649443 711363654 /nfs/dbraw/zinc/36/36/54/711363654.db2.gz DBVLIEKAUSOLPL-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396730466 711368495 /nfs/dbraw/zinc/36/84/95/711368495.db2.gz YFGUTKOZDKLYOA-KOLCDFICSA-N 2 1 213.325 0.243 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CCCCCC[NH3+] ZINC000385889776 711466235 /nfs/dbraw/zinc/46/62/35/711466235.db2.gz YXPBFIVQAYRQJZ-LLVKDONJSA-N 2 1 218.341 0.445 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697863 711534961 /nfs/dbraw/zinc/53/49/61/711534961.db2.gz CXVCWMKXJDMZBG-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723669408 711532894 /nfs/dbraw/zinc/53/28/94/711532894.db2.gz JCIDHFOQSICVEX-LLVKDONJSA-N 2 1 247.342 0.956 20 0 BCADMP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697867 711534520 /nfs/dbraw/zinc/53/45/20/711534520.db2.gz CXVCWMKXJDMZBG-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723709067 711535704 /nfs/dbraw/zinc/53/57/04/711535704.db2.gz LONSKWAJHORUNE-NSHDSACASA-N 2 1 238.335 0.981 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CC[NH3+] ZINC000723884209 711543468 /nfs/dbraw/zinc/54/34/68/711543468.db2.gz RHUCFTBWUJIFDV-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658246 711546624 /nfs/dbraw/zinc/54/66/24/711546624.db2.gz MMJDMOKBDSMKDI-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658246 711546626 /nfs/dbraw/zinc/54/66/26/711546626.db2.gz MMJDMOKBDSMKDI-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H](CNC1=[NH+]CCCN1C)[N@H+](C)C1CC1 ZINC000386551386 711581970 /nfs/dbraw/zinc/58/19/70/711581970.db2.gz GZSSFNWNVLGXSU-JTQLQIEISA-N 2 1 224.352 0.750 20 0 BCADMP C[C@@H](CNC1=[NH+]CCCN1C)[N@@H+](C)C1CC1 ZINC000386551386 711581973 /nfs/dbraw/zinc/58/19/73/711581973.db2.gz GZSSFNWNVLGXSU-JTQLQIEISA-N 2 1 224.352 0.750 20 0 BCADMP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000724563302 711592119 /nfs/dbraw/zinc/59/21/19/711592119.db2.gz MEFGOYIAKIYWIL-MROQNXINSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000724563302 711592122 /nfs/dbraw/zinc/59/21/22/711592122.db2.gz MEFGOYIAKIYWIL-MROQNXINSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724564426 711592898 /nfs/dbraw/zinc/59/28/98/711592898.db2.gz TUATZSLFDVGVFZ-YVECIDJPSA-N 2 1 240.347 0.461 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724808015 711616254 /nfs/dbraw/zinc/61/62/54/711616254.db2.gz CLRRRMKCTBTYPE-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724808015 711616256 /nfs/dbraw/zinc/61/62/56/711616256.db2.gz CLRRRMKCTBTYPE-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000382289329 711621273 /nfs/dbraw/zinc/62/12/73/711621273.db2.gz QKVWBBWOKKUGIA-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCO[C@H]1CCOC1 ZINC000724913235 711627129 /nfs/dbraw/zinc/62/71/29/711627129.db2.gz FSQYLNUVWCGZQU-NSHDSACASA-N 2 1 216.325 0.333 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724913235 711627130 /nfs/dbraw/zinc/62/71/30/711627130.db2.gz FSQYLNUVWCGZQU-NSHDSACASA-N 2 1 216.325 0.333 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)c1ncoc1C[NH3+] ZINC000721376980 711653153 /nfs/dbraw/zinc/65/31/53/711653153.db2.gz APIIKDSOFXGPPC-QMMMGPOBSA-N 2 1 240.307 0.203 20 0 BCADMP Cn1nncc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000394947924 711691416 /nfs/dbraw/zinc/69/14/16/711691416.db2.gz ISUDZVYJRUFRLV-UHFFFAOYSA-N 2 1 223.324 0.517 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396554189 711701680 /nfs/dbraw/zinc/70/16/80/711701680.db2.gz FXXKTUJIVRVQDJ-XWLWVQCSSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925788104 711751735 /nfs/dbraw/zinc/75/17/35/711751735.db2.gz YFCQXZDNDOMXAG-FVCCEPFGSA-N 2 1 225.380 0.949 20 0 BCADMP OC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000107153151 711754499 /nfs/dbraw/zinc/75/44/99/711754499.db2.gz UQSBAUOFSIBDTN-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251690821 711764207 /nfs/dbraw/zinc/76/42/07/711764207.db2.gz IHVIVCITQCQPPB-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573965 711770082 /nfs/dbraw/zinc/77/00/82/711770082.db2.gz VACBYKNEZMBHQX-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573965 711770083 /nfs/dbraw/zinc/77/00/83/711770083.db2.gz VACBYKNEZMBHQX-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573965 711770084 /nfs/dbraw/zinc/77/00/84/711770084.db2.gz VACBYKNEZMBHQX-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573965 711770086 /nfs/dbraw/zinc/77/00/86/711770086.db2.gz VACBYKNEZMBHQX-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP COC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229083666 711837555 /nfs/dbraw/zinc/83/75/55/711837555.db2.gz WINPXSVPFJVARW-RDFFEMEHSA-N 2 1 228.336 0.209 20 0 BCADMP COC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229083666 711837557 /nfs/dbraw/zinc/83/75/57/711837557.db2.gz WINPXSVPFJVARW-RDFFEMEHSA-N 2 1 228.336 0.209 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130139921 711845529 /nfs/dbraw/zinc/84/55/29/711845529.db2.gz MNCNNPRXMOZKPN-SDDRHHMPSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000219856428 711861923 /nfs/dbraw/zinc/86/19/23/711861923.db2.gz GFXJCUILBWDQHW-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726947 711893324 /nfs/dbraw/zinc/89/33/24/711893324.db2.gz LWRNBOIFQFQKML-DCAQKATOSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726947 711893327 /nfs/dbraw/zinc/89/33/27/711893327.db2.gz LWRNBOIFQFQKML-DCAQKATOSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[N@H+]1C ZINC000382509504 711919681 /nfs/dbraw/zinc/91/96/81/711919681.db2.gz XNUOOYHIHAKRRA-YUSALJHKSA-N 2 1 239.363 0.713 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132122502 711955321 /nfs/dbraw/zinc/95/53/21/711955321.db2.gz SAMQWIIKDSHFFU-TVYUQYBPSA-N 2 1 236.315 0.728 20 0 BCADMP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044297893 711966974 /nfs/dbraw/zinc/96/69/74/711966974.db2.gz NKMSZAKBGHQCLC-LLVKDONJSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044297893 711966976 /nfs/dbraw/zinc/96/69/76/711966976.db2.gz NKMSZAKBGHQCLC-LLVKDONJSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700406899 711992075 /nfs/dbraw/zinc/99/20/75/711992075.db2.gz YVMYMKLGQDFFPE-WCQYABFASA-N 2 1 239.363 0.573 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660926 712011744 /nfs/dbraw/zinc/01/17/44/712011744.db2.gz JKYQINTUBTVIKB-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660926 712011746 /nfs/dbraw/zinc/01/17/46/712011746.db2.gz JKYQINTUBTVIKB-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660926 712011748 /nfs/dbraw/zinc/01/17/48/712011748.db2.gz JKYQINTUBTVIKB-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000701675824 712026528 /nfs/dbraw/zinc/02/65/28/712026528.db2.gz ZXJZVFHCCRZTBA-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000701675824 712026529 /nfs/dbraw/zinc/02/65/29/712026529.db2.gz ZXJZVFHCCRZTBA-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1cccn1)C2 ZINC000702125645 712039555 /nfs/dbraw/zinc/03/95/55/712039555.db2.gz MCXXSGGXZNVSMV-NWDGAFQWSA-N 2 1 220.320 0.424 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC000702125645 712039556 /nfs/dbraw/zinc/03/95/56/712039556.db2.gz MCXXSGGXZNVSMV-NWDGAFQWSA-N 2 1 220.320 0.424 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)OC ZINC000702126468 712039591 /nfs/dbraw/zinc/03/95/91/712039591.db2.gz POFOOTQOXIWOOL-SDDRHHMPSA-N 2 1 228.336 0.189 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000702243860 712041812 /nfs/dbraw/zinc/04/18/12/712041812.db2.gz XVUVTZMTFHSSPM-GFCCVEGCSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000702271730 712043894 /nfs/dbraw/zinc/04/38/94/712043894.db2.gz BQXPQDBNANOUDB-AXFHLTTASA-N 2 1 230.377 0.585 20 0 BCADMP C[N@H+]1C[C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@]2(C)C1 ZINC000702411502 712051335 /nfs/dbraw/zinc/05/13/35/712051335.db2.gz YMTGXADMZJVMLM-DKNRTOFZSA-N 2 1 235.375 0.622 20 0 BCADMP C[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CO[C@H]1C ZINC000702605851 712056529 /nfs/dbraw/zinc/05/65/29/712056529.db2.gz XINZXTYQHOKMJP-BJDJZHNGSA-N 2 1 228.336 0.066 20 0 BCADMP C[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CO[C@H]1C ZINC000702605851 712056530 /nfs/dbraw/zinc/05/65/30/712056530.db2.gz XINZXTYQHOKMJP-BJDJZHNGSA-N 2 1 228.336 0.066 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702627330 712056974 /nfs/dbraw/zinc/05/69/74/712056974.db2.gz YJUOIYHLAFUWLY-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702627330 712056975 /nfs/dbraw/zinc/05/69/75/712056975.db2.gz YJUOIYHLAFUWLY-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703025903 712065099 /nfs/dbraw/zinc/06/50/99/712065099.db2.gz ZMZNLILSJZKDAL-WXRRBKDZSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703025903 712065101 /nfs/dbraw/zinc/06/51/01/712065101.db2.gz ZMZNLILSJZKDAL-WXRRBKDZSA-N 2 1 242.363 0.336 20 0 BCADMP COC1CC(C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000703299933 712071302 /nfs/dbraw/zinc/07/13/02/712071302.db2.gz VSVOCMGYYCZBHZ-UHFFFAOYSA-N 2 1 241.379 0.248 20 0 BCADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489754 712077223 /nfs/dbraw/zinc/07/72/23/712077223.db2.gz LTWCWDYPRRSRGM-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP CN(C)c1nc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc[nH+]1 ZINC000703557510 712078701 /nfs/dbraw/zinc/07/87/01/712078701.db2.gz BNSYATSVUVGPFZ-GXFFZTMASA-N 2 1 247.346 0.588 20 0 BCADMP CC[C@@H](C(N)=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705629495 712133614 /nfs/dbraw/zinc/13/36/14/712133614.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 1 239.363 0.524 20 0 BCADMP COC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705682242 712134173 /nfs/dbraw/zinc/13/41/73/712134173.db2.gz VPBLHZWTXZIHRL-STQMWFEESA-N 2 1 240.347 0.823 20 0 BCADMP C[NH+]1C[C@@]2(C)C[NH+](CCCO)C[C@]2(C)C1 ZINC000705657883 712134800 /nfs/dbraw/zinc/13/48/00/712134800.db2.gz HGTLPHZLLQDWKK-RYUDHWBXSA-N 2 1 212.337 0.642 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705665554 712135255 /nfs/dbraw/zinc/13/52/55/712135255.db2.gz FYDNTDYHOAVYEY-YNEHKIRRSA-N 2 1 226.364 0.888 20 0 BCADMP COC[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000705805149 712135731 /nfs/dbraw/zinc/13/57/31/712135731.db2.gz BTHYYTNSOBZSFT-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000706766039 712154940 /nfs/dbraw/zinc/15/49/40/712154940.db2.gz BTWHWGMECDJISO-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000706766039 712154942 /nfs/dbraw/zinc/15/49/42/712154942.db2.gz BTWHWGMECDJISO-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000707240525 712167925 /nfs/dbraw/zinc/16/79/25/712167925.db2.gz MGJALIRNJJZBLP-GRYCIOLGSA-N 2 1 210.321 0.836 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709039209 712206175 /nfs/dbraw/zinc/20/61/75/712206175.db2.gz ZQHDGWCUTPNDES-VXGBXAGGSA-N 2 1 230.352 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709039209 712206176 /nfs/dbraw/zinc/20/61/76/712206176.db2.gz ZQHDGWCUTPNDES-VXGBXAGGSA-N 2 1 230.352 0.587 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709055615 712207151 /nfs/dbraw/zinc/20/71/51/712207151.db2.gz BAFQIJHZGQJCMY-QWRGUYRKSA-N 2 1 200.326 0.961 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695620 712216151 /nfs/dbraw/zinc/21/61/51/712216151.db2.gz GNRCNHFSSXZJLZ-WDEREUQCSA-N 2 1 244.379 0.832 20 0 BCADMP COCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709794484 712227614 /nfs/dbraw/zinc/22/76/14/712227614.db2.gz MSPBVRRTILOCAD-HTQZYQBOSA-N 2 1 226.242 0.702 20 0 BCADMP COCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709794484 712227616 /nfs/dbraw/zinc/22/76/16/712227616.db2.gz MSPBVRRTILOCAD-HTQZYQBOSA-N 2 1 226.242 0.702 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCOC1)C2 ZINC000709824752 712228638 /nfs/dbraw/zinc/22/86/38/712228638.db2.gz VGNCJOFKCXPWOP-BJDJZHNGSA-N 2 1 210.321 0.835 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCNC1=O ZINC000710805089 712257343 /nfs/dbraw/zinc/25/73/43/712257343.db2.gz QBSDYTIEOUUGPK-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000710955682 712267818 /nfs/dbraw/zinc/26/78/18/712267818.db2.gz DEFAGNYUOZGDOZ-GHMZBOCLSA-N 2 1 230.352 0.925 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CF)C1 ZINC000711449832 712301663 /nfs/dbraw/zinc/30/16/63/712301663.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449832 712301665 /nfs/dbraw/zinc/30/16/65/712301665.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449832 712301667 /nfs/dbraw/zinc/30/16/67/712301667.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080936157 712354004 /nfs/dbraw/zinc/35/40/04/712354004.db2.gz LGFQKPOJHSIIRJ-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080936157 712354005 /nfs/dbraw/zinc/35/40/05/712354005.db2.gz LGFQKPOJHSIIRJ-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080936157 712354006 /nfs/dbraw/zinc/35/40/06/712354006.db2.gz LGFQKPOJHSIIRJ-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP CCN1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712613934 712437899 /nfs/dbraw/zinc/43/78/99/712437899.db2.gz PSWKKSBGEGMUPF-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672069 712440695 /nfs/dbraw/zinc/44/06/95/712440695.db2.gz GANSASAYGXPONF-WDEREUQCSA-N 2 1 241.379 0.912 20 0 BCADMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)nc(N)[nH+]1 ZINC000712537169 712442471 /nfs/dbraw/zinc/44/24/71/712442471.db2.gz CCYKQWFPLNXKJT-QMMMGPOBSA-N 2 1 207.281 0.483 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576968 712448079 /nfs/dbraw/zinc/44/80/79/712448079.db2.gz COHMWTPILNNNBQ-QWHCGFSZSA-N 2 1 241.379 0.127 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713224445 712455661 /nfs/dbraw/zinc/45/56/61/712455661.db2.gz GXIJARHNRMNBPP-MDZLAQPJSA-N 2 1 237.347 0.278 20 0 BCADMP CCn1cc(C[NH+]2CCC(C[NH2+]C)CC2)nn1 ZINC000714432633 712486095 /nfs/dbraw/zinc/48/60/95/712486095.db2.gz DZJWBPBAIVICIY-UHFFFAOYSA-N 2 1 237.351 0.729 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000036870209 712505734 /nfs/dbraw/zinc/50/57/34/712505734.db2.gz WAODUGHZFNEOCO-NSHDSACASA-N 2 1 248.392 0.624 20 0 BCADMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC000715477503 712520832 /nfs/dbraw/zinc/52/08/32/712520832.db2.gz ZDJUFCGVHATADV-LPEHRKFASA-N 2 1 244.285 0.704 20 0 BCADMP C[N@@H+](CCCF)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000716808276 712575676 /nfs/dbraw/zinc/57/56/76/712575676.db2.gz JJSAWYJVZVYKEG-SNVBAGLBSA-N 2 1 216.300 0.799 20 0 BCADMP CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)OCCO1 ZINC000716828148 712577188 /nfs/dbraw/zinc/57/71/88/712577188.db2.gz JIAPIPPIPIYYRY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)OCCO1 ZINC000716828148 712577190 /nfs/dbraw/zinc/57/71/90/712577190.db2.gz JIAPIPPIPIYYRY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)OCCO1 ZINC000716828144 712577320 /nfs/dbraw/zinc/57/73/20/712577320.db2.gz JIAPIPPIPIYYRY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)OCCO1 ZINC000716828144 712577321 /nfs/dbraw/zinc/57/73/21/712577321.db2.gz JIAPIPPIPIYYRY-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000930163220 712616007 /nfs/dbraw/zinc/61/60/07/712616007.db2.gz RFNVOGBNLFYPPS-WRWORJQWSA-N 2 1 209.293 0.839 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCO ZINC000379852938 712616898 /nfs/dbraw/zinc/61/68/98/712616898.db2.gz AZWIQGBFQRHFEE-SNVBAGLBSA-N 2 1 211.309 0.942 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000037475931 712647747 /nfs/dbraw/zinc/64/77/47/712647747.db2.gz LSAZYPIATNNIAL-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000037647130 712733919 /nfs/dbraw/zinc/73/39/19/712733919.db2.gz WGNVDACAETWLEY-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010514 712735702 /nfs/dbraw/zinc/73/57/02/712735702.db2.gz INAFSPVLFWBNBU-USZNOCQGSA-N 2 1 239.363 0.700 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719250599 712801295 /nfs/dbraw/zinc/80/12/95/712801295.db2.gz GUGYEIPNBKKJLQ-YEJSDXFRSA-N 2 1 237.347 0.337 20 0 BCADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719364743 712806265 /nfs/dbraw/zinc/80/62/65/712806265.db2.gz GSOXXUXUIXEJAH-RKDXNWHRSA-N 2 1 221.308 0.872 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000720186047 712829250 /nfs/dbraw/zinc/82/92/50/712829250.db2.gz NCUZMUJUVTWAMC-CMPLNLGQSA-N 2 1 244.379 0.845 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000720186047 712829252 /nfs/dbraw/zinc/82/92/52/712829252.db2.gz NCUZMUJUVTWAMC-CMPLNLGQSA-N 2 1 244.379 0.845 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000380232963 712835313 /nfs/dbraw/zinc/83/53/13/712835313.db2.gz RUTTXZVAYXWDTJ-OLZOCXBDSA-N 2 1 240.347 0.724 20 0 BCADMP C[NH+](C)CCOCC[NH2+]Cc1ccon1 ZINC000720390574 712838060 /nfs/dbraw/zinc/83/80/60/712838060.db2.gz UBEAPMQEMYYVOL-UHFFFAOYSA-N 2 1 213.281 0.342 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416467 712841206 /nfs/dbraw/zinc/84/12/06/712841206.db2.gz PZYJQSNTCWNGDE-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720872430 712873443 /nfs/dbraw/zinc/87/34/43/712873443.db2.gz OXUYVHYWXCLETE-FXQIFTODSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720872430 712873446 /nfs/dbraw/zinc/87/34/46/712873446.db2.gz OXUYVHYWXCLETE-FXQIFTODSA-N 2 1 226.242 0.436 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884553 712874401 /nfs/dbraw/zinc/87/44/01/712874401.db2.gz CCRCQZDKMZPGLD-VHSXEESVSA-N 2 1 223.320 0.173 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903763 712874886 /nfs/dbraw/zinc/87/48/86/712874886.db2.gz VVXRJURUSZHLFI-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900858 712875298 /nfs/dbraw/zinc/87/52/98/712875298.db2.gz RULDLJZECXBJEE-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720894650 712875932 /nfs/dbraw/zinc/87/59/32/712875932.db2.gz WGWKBLQNRYCSSF-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720895504 712876639 /nfs/dbraw/zinc/87/66/39/712876639.db2.gz XWGJZHOOZNRBSB-UTLUCORTSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000721040541 712888264 /nfs/dbraw/zinc/88/82/64/712888264.db2.gz VYXLACXRVAEJHP-VWYCJHECSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000721040541 712888267 /nfs/dbraw/zinc/88/82/67/712888267.db2.gz VYXLACXRVAEJHP-VWYCJHECSA-N 2 1 225.336 0.182 20 0 BCADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000721156038 712892628 /nfs/dbraw/zinc/89/26/28/712892628.db2.gz ZFDQQNSVNZZZLE-RWMBFGLXSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCO[C@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001164669116 719381133 /nfs/dbraw/zinc/38/11/33/719381133.db2.gz PYKZUBNJKOSOHG-UWVGGRQHSA-N 2 1 234.303 0.183 20 0 BCADMP Cc1c[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1N ZINC001164666009 719428501 /nfs/dbraw/zinc/42/85/01/719428501.db2.gz AJRCKJKSBKUSMP-RYUDHWBXSA-N 2 1 248.330 0.491 20 0 BCADMP COCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000062031626 398139169 /nfs/dbraw/zinc/13/91/69/398139169.db2.gz YKAGIJXGJBGJEV-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP Cc1cc(C)n(CC[NH+]2CCC([NH3+])CC2)n1 ZINC000389817479 398140469 /nfs/dbraw/zinc/14/04/69/398140469.db2.gz SYCZOSTWGXYXOH-UHFFFAOYSA-N 2 1 222.336 0.923 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649318410 398142567 /nfs/dbraw/zinc/14/25/67/398142567.db2.gz HFKOBCNMPBYUEG-JLLWLGSASA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000649322840 398144655 /nfs/dbraw/zinc/14/46/55/398144655.db2.gz PKDKIBWGYOBXAY-JTQLQIEISA-N 2 1 223.320 0.078 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341958 398158979 /nfs/dbraw/zinc/15/89/79/398158979.db2.gz CQPBTQYRQVRPJF-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893799 349495198 /nfs/dbraw/zinc/49/51/98/349495198.db2.gz PSZPALVKEDMEFM-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902391 349496295 /nfs/dbraw/zinc/49/62/95/349496295.db2.gz UHBNREILEZWOTA-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159589413 136214459 /nfs/dbraw/zinc/21/44/59/136214459.db2.gz DZUIRTJYRHREEY-LBPRGKRZSA-N 2 1 227.352 0.587 20 0 BCADMP COC[C@]1(C)CN(CCn2ccnc2)CCO1 ZINC000626176188 346816625 /nfs/dbraw/zinc/81/66/25/346816625.db2.gz HLIBOWYZPAVOLU-LBPRGKRZSA-N 2 1 239.319 0.620 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000422941656 398159471 /nfs/dbraw/zinc/15/94/71/398159471.db2.gz VGONUYSHYKTRDK-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341527 398158029 /nfs/dbraw/zinc/15/80/29/398158029.db2.gz DKZSJFLXDQPWSM-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000379831874 398170319 /nfs/dbraw/zinc/17/03/19/398170319.db2.gz BLFYNMKIWLOXCG-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000379831874 398170322 /nfs/dbraw/zinc/17/03/22/398170322.db2.gz BLFYNMKIWLOXCG-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359847 398171899 /nfs/dbraw/zinc/17/18/99/398171899.db2.gz FPZNKMCNEUWCFK-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)([NH3+])CCC(=O)NCC(F)(F)C[NH3+] ZINC000390320189 398172267 /nfs/dbraw/zinc/17/22/67/398172267.db2.gz IFLPHWYKQHVPDG-UHFFFAOYSA-N 2 1 223.267 0.214 20 0 BCADMP [NH3+]Cc1noc(C[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000647160018 398173318 /nfs/dbraw/zinc/17/33/18/398173318.db2.gz ARSCBXVGQIRCHQ-JGVFFNPUSA-N 2 1 210.281 0.588 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@H+]1C1CC1 ZINC000649348144 398161204 /nfs/dbraw/zinc/16/12/04/398161204.db2.gz AEBNGQIYOWIDST-NPNZPCOPSA-N 2 1 249.358 0.478 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@H+]1C1CC1 ZINC000649348143 398161306 /nfs/dbraw/zinc/16/13/06/398161306.db2.gz AEBNGQIYOWIDST-HYZGHFONSA-N 2 1 249.358 0.478 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783982 349514306 /nfs/dbraw/zinc/51/43/06/349514306.db2.gz TYMDMHIQMPNLHA-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000576224801 365528571 /nfs/dbraw/zinc/52/85/71/365528571.db2.gz CPOXWYFGCPXWPC-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP c1ncn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000336692266 398192675 /nfs/dbraw/zinc/19/26/75/398192675.db2.gz HNICZKBJVWECNU-VXGBXAGGSA-N 2 1 235.335 0.495 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000336748193 398198061 /nfs/dbraw/zinc/19/80/61/398198061.db2.gz SKWXIMWIJBBKMK-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000336748193 398198065 /nfs/dbraw/zinc/19/80/65/398198065.db2.gz SKWXIMWIJBBKMK-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576281151 365549349 /nfs/dbraw/zinc/54/93/49/365549349.db2.gz VTYPWSVMABGRHO-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000069724578 398213646 /nfs/dbraw/zinc/21/36/46/398213646.db2.gz FNJKOLVSBMZFQG-WDEREUQCSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000069724578 398213649 /nfs/dbraw/zinc/21/36/49/398213649.db2.gz FNJKOLVSBMZFQG-WDEREUQCSA-N 2 1 222.336 0.979 20 0 BCADMP Cc1noc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000069724289 398214039 /nfs/dbraw/zinc/21/40/39/398214039.db2.gz QPAIAQNSLFVUEI-SNVBAGLBSA-N 2 1 224.308 0.939 20 0 BCADMP Cc1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000069724289 398214044 /nfs/dbraw/zinc/21/40/44/398214044.db2.gz QPAIAQNSLFVUEI-SNVBAGLBSA-N 2 1 224.308 0.939 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000386661365 398214214 /nfs/dbraw/zinc/21/42/14/398214214.db2.gz SRVBXBCBSHDOAI-GRYCIOLGSA-N 2 1 209.337 0.232 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000386661367 398214329 /nfs/dbraw/zinc/21/43/29/398214329.db2.gz SRVBXBCBSHDOAI-IJLUTSLNSA-N 2 1 209.337 0.232 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC000380993670 398215902 /nfs/dbraw/zinc/21/59/02/398215902.db2.gz LTRQMUNVEGMONL-ZYHUDNBSSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC000380993670 398215904 /nfs/dbraw/zinc/21/59/04/398215904.db2.gz LTRQMUNVEGMONL-ZYHUDNBSSA-N 2 1 228.336 0.068 20 0 BCADMP [NH3+]CC[C@H]1CCCCN1C(=O)CC(F)(F)C[NH3+] ZINC000576355845 365575639 /nfs/dbraw/zinc/57/56/39/365575639.db2.gz LYPPNNOUAFESPA-SECBINFHSA-N 2 1 249.305 0.700 20 0 BCADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000386749276 398218803 /nfs/dbraw/zinc/21/88/03/398218803.db2.gz GCKOPAWOELZLIE-GFCCVEGCSA-N 2 1 222.336 0.781 20 0 BCADMP c1ncn(C[C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000649412983 398209950 /nfs/dbraw/zinc/20/99/50/398209950.db2.gz GUDPJMPIUSRIKY-QWHCGFSZSA-N 2 1 249.362 0.742 20 0 BCADMP C[NH+](C)CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000602395390 349519824 /nfs/dbraw/zinc/51/98/24/349519824.db2.gz JJENLZJCIOUWAL-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986635 398228520 /nfs/dbraw/zinc/22/85/20/398228520.db2.gz WJMKPSKUQBKSMF-MCIONIFRSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629946910 361793987 /nfs/dbraw/zinc/79/39/87/361793987.db2.gz DPVQFBNSXCMLHO-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780720 136226891 /nfs/dbraw/zinc/22/68/91/136226891.db2.gz QVGFRSGUYSEOSL-HBNTYKKESA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780720 136226892 /nfs/dbraw/zinc/22/68/92/136226892.db2.gz QVGFRSGUYSEOSL-HBNTYKKESA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+](C)CC1 ZINC000418443175 192036766 /nfs/dbraw/zinc/03/67/66/192036766.db2.gz NOFDUJVHXNTOPZ-NSHDSACASA-N 2 1 242.367 0.317 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000576466258 365603824 /nfs/dbraw/zinc/60/38/24/365603824.db2.gz JPBDVIOOZMQCRH-CBAPKCEASA-N 2 1 247.289 0.192 20 0 BCADMP C[NH+](C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629977554 361820335 /nfs/dbraw/zinc/82/03/35/361820335.db2.gz KWOZGBUHPPVWAB-UHFFFAOYSA-N 2 1 225.336 0.243 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000381253836 398244316 /nfs/dbraw/zinc/24/43/16/398244316.db2.gz PJSYVQFAKDPKIB-CMPLNLGQSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000576515219 365614533 /nfs/dbraw/zinc/61/45/33/365614533.db2.gz FJNZKZDQIUKBAF-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000576515223 365614640 /nfs/dbraw/zinc/61/46/40/365614640.db2.gz FJNZKZDQIUKBAF-VWYCJHECSA-N 2 1 225.336 0.134 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[NH2+]C1CC1 ZINC000576582024 365630657 /nfs/dbraw/zinc/63/06/57/365630657.db2.gz WMMJGOSSGGLPAM-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418429492 192037782 /nfs/dbraw/zinc/03/77/82/192037782.db2.gz NRJGFLGOAXVONA-UHFFFAOYSA-N 2 1 240.351 0.285 20 0 BCADMP OCCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000390748354 398247288 /nfs/dbraw/zinc/24/72/88/398247288.db2.gz AXPAGHMQQLHTKY-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000381349252 398254181 /nfs/dbraw/zinc/25/41/81/398254181.db2.gz BEZNFJQXYPVBRQ-VIFPVBQESA-N 2 1 206.293 0.275 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000381356865 398254045 /nfs/dbraw/zinc/25/40/45/398254045.db2.gz CXQWLLYZUWZFTN-JTQLQIEISA-N 2 1 215.341 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000381356865 398254050 /nfs/dbraw/zinc/25/40/50/398254050.db2.gz CXQWLLYZUWZFTN-JTQLQIEISA-N 2 1 215.341 0.522 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000383194887 398257336 /nfs/dbraw/zinc/25/73/36/398257336.db2.gz VFRGEBJZMQYDSL-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP Cc1csc(=O)n1CC[N@H+](C)CCC[NH3+] ZINC000381485484 398259460 /nfs/dbraw/zinc/25/94/60/398259460.db2.gz VCGSIODFPMCLBE-UHFFFAOYSA-N 2 1 229.349 0.499 20 0 BCADMP Cc1csc(=O)n1CC[N@@H+](C)CCC[NH3+] ZINC000381485484 398259462 /nfs/dbraw/zinc/25/94/62/398259462.db2.gz VCGSIODFPMCLBE-UHFFFAOYSA-N 2 1 229.349 0.499 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335388719 136235051 /nfs/dbraw/zinc/23/50/51/136235051.db2.gz KJZGAAWFPDHKSM-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000166225837 361848486 /nfs/dbraw/zinc/84/84/86/361848486.db2.gz NZJUTHNVLPWVTP-MWLCHTKSSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000166225951 361848503 /nfs/dbraw/zinc/84/85/03/361848503.db2.gz NZJUTHNVLPWVTP-ONGXEEELSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000166225709 361848610 /nfs/dbraw/zinc/84/86/10/361848610.db2.gz NZJUTHNVLPWVTP-GXSJLCMTSA-N 2 1 208.309 0.589 20 0 BCADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000395298185 398277178 /nfs/dbraw/zinc/27/71/78/398277178.db2.gz GKJQLNWQGHLQBK-STQMWFEESA-N 2 1 234.347 0.651 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000167199266 361861941 /nfs/dbraw/zinc/86/19/41/361861941.db2.gz GHMRPQSZPPMVFE-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493639550 529384838 /nfs/dbraw/zinc/38/48/38/529384838.db2.gz DMLDZJFGDDUBOP-ZHRWSRJISA-N 2 1 239.363 0.657 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629991665 361877360 /nfs/dbraw/zinc/87/73/60/361877360.db2.gz GPINVODYWYREFG-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CCC(CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308491729 168388983 /nfs/dbraw/zinc/38/89/83/168388983.db2.gz BVNZOLXKELTZRR-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP CCC(CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308491729 168388984 /nfs/dbraw/zinc/38/89/84/168388984.db2.gz BVNZOLXKELTZRR-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP CSC[C@H]1CCC[N@H+]1C[C@H]1CNCCO1 ZINC000400007449 398290224 /nfs/dbraw/zinc/29/02/24/398290224.db2.gz SPSWSKOCLROYCW-GHMZBOCLSA-N 2 1 230.377 0.802 20 0 BCADMP CCc1cc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624678311 342818493 /nfs/dbraw/zinc/81/84/93/342818493.db2.gz GMFYOTHBGJBBLM-CYBMUJFWSA-N 2 1 235.331 0.544 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417817807 398293856 /nfs/dbraw/zinc/29/38/56/398293856.db2.gz ROOQWEVSLULDRQ-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418522496 192046930 /nfs/dbraw/zinc/04/69/30/192046930.db2.gz JFXRIWFTBOXIQR-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883468 398298988 /nfs/dbraw/zinc/29/89/88/398298988.db2.gz WKNQLZXQSGSYFI-MWLCHTKSSA-N 2 1 240.351 0.117 20 0 BCADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000389900086 539018538 /nfs/dbraw/zinc/01/85/38/539018538.db2.gz CJEBIWOCJAECFI-QWRGUYRKSA-N 2 1 206.293 0.369 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000011959321 342845012 /nfs/dbraw/zinc/84/50/12/342845012.db2.gz SROXFXQRPDNYOJ-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC1CCOCC1 ZINC000625098929 342854978 /nfs/dbraw/zinc/85/49/78/342854978.db2.gz QQFPYQGKDNSJFI-TXEJJXNPSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+](C)C1CC1 ZINC000167342219 136245606 /nfs/dbraw/zinc/24/56/06/136245606.db2.gz QZCVIDKSLRKFKO-WPRPVWTQSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167342219 136245607 /nfs/dbraw/zinc/24/56/07/136245607.db2.gz QZCVIDKSLRKFKO-WPRPVWTQSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000167334573 136245829 /nfs/dbraw/zinc/24/58/29/136245829.db2.gz DTEFNRJWMPPQMY-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000351477204 136245870 /nfs/dbraw/zinc/24/58/70/136245870.db2.gz NCKQYWPPRINMRS-CYZMBNFOSA-N 2 1 232.331 0.954 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000351477204 136245871 /nfs/dbraw/zinc/24/58/71/136245871.db2.gz NCKQYWPPRINMRS-CYZMBNFOSA-N 2 1 232.331 0.954 20 0 BCADMP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164400818 536630657 /nfs/dbraw/zinc/63/06/57/536630657.db2.gz FKYTXVFCGSVHOO-MMWGEVLESA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164400818 536630662 /nfs/dbraw/zinc/63/06/62/536630662.db2.gz FKYTXVFCGSVHOO-MMWGEVLESA-N 2 1 226.320 0.607 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CC)C1CC1 ZINC000308552188 346882848 /nfs/dbraw/zinc/88/28/48/346882848.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CCN(C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000308552188 346882851 /nfs/dbraw/zinc/88/28/51/346882851.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308552188 346882856 /nfs/dbraw/zinc/88/28/56/346882856.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000308552188 346882861 /nfs/dbraw/zinc/88/28/61/346882861.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C1CC1 ZINC000308552188 346882864 /nfs/dbraw/zinc/88/28/64/346882864.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C1CC1 ZINC000308552188 346882867 /nfs/dbraw/zinc/88/28/67/346882867.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)(CC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000583388383 398336472 /nfs/dbraw/zinc/33/64/72/398336472.db2.gz BXXZWFDGJKSNBP-UHFFFAOYSA-N 2 1 223.267 0.214 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616058 398332633 /nfs/dbraw/zinc/33/26/33/398332633.db2.gz OFKKFRAXBJHXOV-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccn1 ZINC000037632039 398333319 /nfs/dbraw/zinc/33/33/19/398333319.db2.gz NXBHYNLYXKZCOI-UHFFFAOYSA-N 2 1 234.347 0.419 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308677 398340613 /nfs/dbraw/zinc/34/06/13/398340613.db2.gz KSRCJIBGGUUIIQ-WDEREUQCSA-N 3 1 215.341 0.021 20 0 BCADMP CC[C@H]1CN(CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308677 398340614 /nfs/dbraw/zinc/34/06/14/398340614.db2.gz KSRCJIBGGUUIIQ-WDEREUQCSA-N 2 1 215.341 0.021 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351770215 136253309 /nfs/dbraw/zinc/25/33/09/136253309.db2.gz NMNSMVAJJAAQKI-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000167487160 136258122 /nfs/dbraw/zinc/25/81/22/136258122.db2.gz BYAJVTYHQJETNV-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)CO[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357100446 187213232 /nfs/dbraw/zinc/21/32/32/187213232.db2.gz FTAIDRZEKZTPJY-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000357083392 187213264 /nfs/dbraw/zinc/21/32/64/187213264.db2.gz PDQPTALEVUXFJT-STQMWFEESA-N 2 1 224.348 0.954 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351856797 136258333 /nfs/dbraw/zinc/25/83/33/136258333.db2.gz WKXDBNUEMFNMKP-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351856798 136258479 /nfs/dbraw/zinc/25/84/79/136258479.db2.gz WKXDBNUEMFNMKP-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1CO ZINC000309204394 259342514 /nfs/dbraw/zinc/34/25/14/259342514.db2.gz CCWBQBPEZASQNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1CO ZINC000309204394 259342516 /nfs/dbraw/zinc/34/25/16/259342516.db2.gz CCWBQBPEZASQNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000309204394 259342518 /nfs/dbraw/zinc/34/25/18/259342518.db2.gz CCWBQBPEZASQNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000309204394 259342520 /nfs/dbraw/zinc/34/25/20/259342520.db2.gz CCWBQBPEZASQNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121164038 187223803 /nfs/dbraw/zinc/22/38/03/187223803.db2.gz ZSVLRJALUKTRIU-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121164038 187223805 /nfs/dbraw/zinc/22/38/05/187223805.db2.gz ZSVLRJALUKTRIU-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373054366 187223208 /nfs/dbraw/zinc/22/32/08/187223208.db2.gz VSDPKSBJGHDNJE-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000576823100 365694309 /nfs/dbraw/zinc/69/43/09/365694309.db2.gz NNVYWJDSEFXOBT-ZYHUDNBSSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C1(C2CC2)CC1)C1CC1 ZINC000309988164 259343925 /nfs/dbraw/zinc/34/39/25/259343925.db2.gz ZJYYEDZVMATBRY-GFCCVEGCSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C1(C2CC2)CC1)C1CC1 ZINC000309988164 259343926 /nfs/dbraw/zinc/34/39/26/259343926.db2.gz ZJYYEDZVMATBRY-GFCCVEGCSA-N 2 1 224.348 0.974 20 0 BCADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H](C)O ZINC000400481636 529665671 /nfs/dbraw/zinc/66/56/71/529665671.db2.gz WGHWFQQJWDIIHY-ZNSHCXBVSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119004839 343065607 /nfs/dbraw/zinc/06/56/07/343065607.db2.gz PAQRGLIFFZRUPY-AXFHLTTASA-N 2 1 200.326 0.830 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@@](C)(CC)C1 ZINC000520952804 259345632 /nfs/dbraw/zinc/34/56/32/259345632.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000383813088 349793332 /nfs/dbraw/zinc/79/33/32/349793332.db2.gz VRZYXLTZWSOEPZ-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCO[C@@](C)(CC)C1 ZINC000520952802 259345699 /nfs/dbraw/zinc/34/56/99/259345699.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCO[C@](C)(CC)C1 ZINC000520952798 259345747 /nfs/dbraw/zinc/34/57/47/259345747.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCO[C@](C)(CC)C1 ZINC000520952803 259345803 /nfs/dbraw/zinc/34/58/03/259345803.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000175100630 362026336 /nfs/dbraw/zinc/02/63/36/362026336.db2.gz AAODAFGBWNIPJZ-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712809 343125296 /nfs/dbraw/zinc/12/52/96/343125296.db2.gz JNEJUWQHHRHPLY-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000576942141 365728255 /nfs/dbraw/zinc/72/82/55/365728255.db2.gz XXCNXCIZVACDEG-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000308894945 346930261 /nfs/dbraw/zinc/93/02/61/346930261.db2.gz IQPVCOGPOGLNBI-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000237677764 343162575 /nfs/dbraw/zinc/16/25/75/343162575.db2.gz NNRCSPICCULLPK-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177838262 136274438 /nfs/dbraw/zinc/27/44/38/136274438.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000177838262 136274439 /nfs/dbraw/zinc/27/44/39/136274439.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000177838262 136274440 /nfs/dbraw/zinc/27/44/40/136274440.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000157213710 343199780 /nfs/dbraw/zinc/19/97/80/343199780.db2.gz YWBUNLGKQIDGKS-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[N@H+]1C ZINC000157876967 343200069 /nfs/dbraw/zinc/20/00/69/343200069.db2.gz MVLGVVHFTDQNDO-CMPLNLGQSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091215 136284338 /nfs/dbraw/zinc/28/43/38/136284338.db2.gz SXHIALZJKHAQMU-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091212 136284539 /nfs/dbraw/zinc/28/45/39/136284539.db2.gz ZCHJCGYUQQDBTN-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000634687980 343245574 /nfs/dbraw/zinc/24/55/74/343245574.db2.gz FAFMVBQHLRDRBQ-AAEUAGOBSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000634687980 343245576 /nfs/dbraw/zinc/24/55/76/343245576.db2.gz FAFMVBQHLRDRBQ-AAEUAGOBSA-N 2 1 234.347 0.776 20 0 BCADMP CC(=O)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000334198805 187250159 /nfs/dbraw/zinc/25/01/59/187250159.db2.gz OSMWEBOGMSBBSV-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000634688278 343246423 /nfs/dbraw/zinc/24/64/23/343246423.db2.gz NSEMUOHHRKYQJR-BETUJISGSA-N 2 1 224.348 0.954 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000068891057 343251402 /nfs/dbraw/zinc/25/14/02/343251402.db2.gz XYFIKBTZNXMBJF-NSHDSACASA-N 2 1 216.325 0.020 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397482408 262926092 /nfs/dbraw/zinc/92/60/92/262926092.db2.gz PQQKYCZWJMYJPG-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397482408 262926093 /nfs/dbraw/zinc/92/60/93/262926093.db2.gz PQQKYCZWJMYJPG-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000069665321 343288020 /nfs/dbraw/zinc/28/80/20/343288020.db2.gz CQRYEJJQJHJJFT-ONGXEEELSA-N 2 1 200.326 0.687 20 0 BCADMP Cn1cncc1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000121345747 343267194 /nfs/dbraw/zinc/26/71/94/343267194.db2.gz YRCHNAWUVCYEJT-NSHDSACASA-N 2 1 236.319 0.173 20 0 BCADMP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)C1C[NH2+]C1 ZINC000164300973 136291876 /nfs/dbraw/zinc/29/18/76/136291876.db2.gz TWVRTBSGVCFHEN-SNVBAGLBSA-N 2 1 237.347 0.149 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000146155429 343282405 /nfs/dbraw/zinc/28/24/05/343282405.db2.gz MIVAXMCUDGGUKU-UHFFFAOYSA-N 2 1 236.319 0.356 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+](C)CC1 ZINC000146155429 343282407 /nfs/dbraw/zinc/28/24/07/343282407.db2.gz MIVAXMCUDGGUKU-UHFFFAOYSA-N 2 1 236.319 0.356 20 0 BCADMP CC(C)[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367926383 187254806 /nfs/dbraw/zinc/25/48/06/187254806.db2.gz FUYQQQUAIOQAGA-GRYCIOLGSA-N 2 1 212.337 0.497 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367926383 187254808 /nfs/dbraw/zinc/25/48/08/187254808.db2.gz FUYQQQUAIOQAGA-GRYCIOLGSA-N 2 1 212.337 0.497 20 0 BCADMP CC(C)[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367926383 187254809 /nfs/dbraw/zinc/25/48/09/187254809.db2.gz FUYQQQUAIOQAGA-GRYCIOLGSA-N 2 1 212.337 0.497 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638491 136302864 /nfs/dbraw/zinc/30/28/64/136302864.db2.gz SIPVKEIWDLKHSY-WNYYMSAVSA-N 3 1 211.353 0.844 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639385 136303236 /nfs/dbraw/zinc/30/32/36/136303236.db2.gz UGPMGKAXPUJJEO-CMPLNLGQSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210854 136305269 /nfs/dbraw/zinc/30/52/69/136305269.db2.gz YVQCNCRSEFLWSZ-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210854 136305270 /nfs/dbraw/zinc/30/52/70/136305270.db2.gz YVQCNCRSEFLWSZ-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335658446 136307312 /nfs/dbraw/zinc/30/73/12/136307312.db2.gz UKHGOPARTTVFKY-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166222032 136310301 /nfs/dbraw/zinc/31/03/01/136310301.db2.gz MUFHGGSKWGXNLN-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166222032 136310302 /nfs/dbraw/zinc/31/03/02/136310302.db2.gz MUFHGGSKWGXNLN-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000349079178 136322649 /nfs/dbraw/zinc/32/26/49/136322649.db2.gz ISFMAYROMXRPKP-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000349080349 136322683 /nfs/dbraw/zinc/32/26/83/136322683.db2.gz KRBZOHQCUVJXLK-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082249008 343437857 /nfs/dbraw/zinc/43/78/57/343437857.db2.gz SUEDZCKEFAVKTP-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000570037684 323047930 /nfs/dbraw/zinc/04/79/30/323047930.db2.gz VOCYBUZDYGAHAW-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578966 136369149 /nfs/dbraw/zinc/36/91/49/136369149.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578966 136369150 /nfs/dbraw/zinc/36/91/50/136369150.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578966 136369151 /nfs/dbraw/zinc/36/91/51/136369151.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578966 136369152 /nfs/dbraw/zinc/36/91/52/136369152.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578966 136369153 /nfs/dbraw/zinc/36/91/53/136369153.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578966 136369154 /nfs/dbraw/zinc/36/91/54/136369154.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578966 136369155 /nfs/dbraw/zinc/36/91/55/136369155.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H]1CN(CC[NH2+][C@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046106 323048432 /nfs/dbraw/zinc/04/84/32/323048432.db2.gz QTNKTEZTUJOPAG-WCQYABFASA-N 2 1 241.379 0.424 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618190510 343551936 /nfs/dbraw/zinc/55/19/36/343551936.db2.gz VYYYLDFOEQSLCU-NSHDSACASA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnnn1C ZINC000577026127 365773783 /nfs/dbraw/zinc/77/37/83/365773783.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 1 237.351 0.587 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000086271850 343616235 /nfs/dbraw/zinc/61/62/35/343616235.db2.gz ZMTSMNAXMBASTK-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000390341473 537792395 /nfs/dbraw/zinc/79/23/95/537792395.db2.gz NBBWFZDTONZFRO-NWDGAFQWSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000390341473 537792400 /nfs/dbraw/zinc/79/24/00/537792400.db2.gz NBBWFZDTONZFRO-NWDGAFQWSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379901854 343652520 /nfs/dbraw/zinc/65/25/20/343652520.db2.gz FWXUQYBPIGSVIV-USWWRNFRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379901854 343652523 /nfs/dbraw/zinc/65/25/23/343652523.db2.gz FWXUQYBPIGSVIV-USWWRNFRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000154669836 343745671 /nfs/dbraw/zinc/74/56/71/343745671.db2.gz GWYJYIILNQPAMY-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCSC1)C1CC1 ZINC000309119800 346968657 /nfs/dbraw/zinc/96/86/57/346968657.db2.gz SQOIFUXULRPRKE-KOLCDFICSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCSC1)C1CC1 ZINC000309119800 346968658 /nfs/dbraw/zinc/96/86/58/346968658.db2.gz SQOIFUXULRPRKE-KOLCDFICSA-N 2 1 230.377 0.537 20 0 BCADMP CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000302391133 529863509 /nfs/dbraw/zinc/86/35/09/529863509.db2.gz NEZZWTPVLWKMML-OLZOCXBDSA-N 2 1 247.342 0.407 20 0 BCADMP CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000302391133 529863510 /nfs/dbraw/zinc/86/35/10/529863510.db2.gz NEZZWTPVLWKMML-OLZOCXBDSA-N 2 1 247.342 0.407 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262675447 349861280 /nfs/dbraw/zinc/86/12/80/349861280.db2.gz RPGXZIJBPIOUMU-NWDGAFQWSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000263265936 349861402 /nfs/dbraw/zinc/86/14/02/349861402.db2.gz NQZLXVBWFVNRDW-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381070512 343932892 /nfs/dbraw/zinc/93/28/92/343932892.db2.gz ODIMCRQERBDLPT-PWSUYJOCSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H](CCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381070512 343932895 /nfs/dbraw/zinc/93/28/95/343932895.db2.gz ODIMCRQERBDLPT-PWSUYJOCSA-N 2 1 230.352 0.050 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000040624387 187281356 /nfs/dbraw/zinc/28/13/56/187281356.db2.gz AGWAACZGTXWJKZ-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842173 344093966 /nfs/dbraw/zinc/09/39/66/344093966.db2.gz ZDSLXQZPEFLAON-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842173 344093968 /nfs/dbraw/zinc/09/39/68/344093968.db2.gz ZDSLXQZPEFLAON-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735318 344121816 /nfs/dbraw/zinc/12/18/16/344121816.db2.gz CFBIBVHLBKPZOJ-LPWJVIDDSA-N 2 1 224.348 0.953 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000130481478 344141787 /nfs/dbraw/zinc/14/17/87/344141787.db2.gz WTVNYTVJYHHCAN-ZYHUDNBSSA-N 2 1 239.363 0.857 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129922492 344217512 /nfs/dbraw/zinc/21/75/12/344217512.db2.gz KVSHXDRMWGRKIG-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000236649787 187289359 /nfs/dbraw/zinc/28/93/59/187289359.db2.gz HUIPGWSEZLUHNL-SNVBAGLBSA-N 2 1 213.325 0.180 20 0 BCADMP c1cc2c(nc[nH+]c2N2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000588897797 344197871 /nfs/dbraw/zinc/19/78/71/344197871.db2.gz MUROJOIYJAOJBQ-DTORHVGOSA-N 2 1 229.287 0.614 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000133320458 344317372 /nfs/dbraw/zinc/31/73/72/344317372.db2.gz XDBPZFYEIASWHE-VHSXEESVSA-N 2 1 202.342 0.933 20 0 BCADMP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CSC[NH2+]1 ZINC000131838787 344334509 /nfs/dbraw/zinc/33/45/09/344334509.db2.gz IGSCDDFUGBLUAC-NXEZZACHSA-N 2 1 243.376 0.155 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600743047 344367290 /nfs/dbraw/zinc/36/72/90/344367290.db2.gz ICVYCRYLBYBSPA-BETUJISGSA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600743047 344367292 /nfs/dbraw/zinc/36/72/92/344367292.db2.gz ICVYCRYLBYBSPA-BETUJISGSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000600712354 344361737 /nfs/dbraw/zinc/36/17/37/344361737.db2.gz XFQAKVJPZHCPOU-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000584287443 344421564 /nfs/dbraw/zinc/42/15/64/344421564.db2.gz KSTCZAMLCOUTKU-OUAUKWLOSA-N 2 1 212.337 0.996 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(C)CCC2)C1 ZINC000336760205 537845063 /nfs/dbraw/zinc/84/50/63/537845063.db2.gz LPGDQBLOOLFTEG-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(C)CCC2)C1 ZINC000336760205 537845071 /nfs/dbraw/zinc/84/50/71/537845071.db2.gz LPGDQBLOOLFTEG-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP COC(=O)C(C)(C)CC[N@@H+](C)CCOCC[NH3+] ZINC000600775971 344370940 /nfs/dbraw/zinc/37/09/40/344370940.db2.gz UUBAYKSRCPJPGG-UHFFFAOYSA-N 2 1 246.351 0.483 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C ZINC000042588097 344459945 /nfs/dbraw/zinc/45/99/45/344459945.db2.gz DKRQVDUCRUPOLZ-WDEREUQCSA-N 2 1 202.342 0.933 20 0 BCADMP CC(C)[N@@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493631 344520803 /nfs/dbraw/zinc/52/08/03/344520803.db2.gz HEYFYNDAQKZIQF-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493631 344520804 /nfs/dbraw/zinc/52/08/04/344520804.db2.gz HEYFYNDAQKZIQF-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000336765164 537847528 /nfs/dbraw/zinc/84/75/28/537847528.db2.gz NYFASWGCKRRWCM-XQQFMLRXSA-N 2 1 224.348 0.831 20 0 BCADMP COC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043640924 344528763 /nfs/dbraw/zinc/52/87/63/344528763.db2.gz CDDVQXTUBBPOBT-JTQLQIEISA-N 2 1 228.336 0.822 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000336765164 537847534 /nfs/dbraw/zinc/84/75/34/537847534.db2.gz NYFASWGCKRRWCM-XQQFMLRXSA-N 2 1 224.348 0.831 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000043599880 344529441 /nfs/dbraw/zinc/52/94/41/344529441.db2.gz SUQHYKPQUBMBPG-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336764698 537847593 /nfs/dbraw/zinc/84/75/93/537847593.db2.gz QBXJHZIWOLREMA-WOPDTQHZSA-N 2 1 212.337 0.687 20 0 BCADMP C[NH+]1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000044516404 344541293 /nfs/dbraw/zinc/54/12/93/344541293.db2.gz YDXPOAMGZAUZKX-UHFFFAOYSA-N 2 1 226.349 0.970 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649619 344555042 /nfs/dbraw/zinc/55/50/42/344555042.db2.gz KHADRUWTDZBPGA-PWSUYJOCSA-N 2 1 239.363 0.570 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812659 344591700 /nfs/dbraw/zinc/59/17/00/344591700.db2.gz KKPQCLFVBATCJJ-YPMHNXCESA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827012 344593400 /nfs/dbraw/zinc/59/34/00/344593400.db2.gz POKZJJALGPOUGA-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[NH3+])CC[N@H+]1C ZINC000641474810 362442527 /nfs/dbraw/zinc/44/25/27/362442527.db2.gz LZAPWGUWYHTRNI-QWRGUYRKSA-N 2 1 242.367 0.315 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000309416088 347057592 /nfs/dbraw/zinc/05/75/92/347057592.db2.gz WDLAIRPAZPGQJF-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC1(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000570927446 323074403 /nfs/dbraw/zinc/07/44/03/323074403.db2.gz AOWDQDHOTWZFBV-GFCCVEGCSA-N 2 1 223.364 0.766 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464902 347069529 /nfs/dbraw/zinc/06/95/29/347069529.db2.gz PTDCCCMWGCWDMM-CMPLNLGQSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H](CCCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309480471 347073678 /nfs/dbraw/zinc/07/36/78/347073678.db2.gz VVLYWHWSRUCZHI-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](CCCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309480471 347073679 /nfs/dbraw/zinc/07/36/79/347073679.db2.gz VVLYWHWSRUCZHI-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000154303151 345026141 /nfs/dbraw/zinc/02/61/41/345026141.db2.gz XXNMEYNELWPRSA-MROQNXINSA-N 2 1 243.395 0.227 20 0 BCADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154391565 345030251 /nfs/dbraw/zinc/03/02/51/345030251.db2.gz YBPKCSZAWMIGKM-DGCLKSJQSA-N 2 1 244.379 0.704 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCO1 ZINC000156051708 345120624 /nfs/dbraw/zinc/12/06/24/345120624.db2.gz OQDMYZADAXSOJT-YNEHKIRRSA-N 2 1 240.347 0.618 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000577073147 365804836 /nfs/dbraw/zinc/80/48/36/365804836.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000577073147 365804840 /nfs/dbraw/zinc/80/48/40/365804840.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000577073147 365804843 /nfs/dbraw/zinc/80/48/43/365804843.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000577073147 365804849 /nfs/dbraw/zinc/80/48/49/365804849.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000577073147 365804854 /nfs/dbraw/zinc/80/48/54/365804854.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000577073147 365804857 /nfs/dbraw/zinc/80/48/57/365804857.db2.gz KFKONVWUUIAQSK-NSHDSACASA-N 2 1 230.352 0.003 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634990843 345173655 /nfs/dbraw/zinc/17/36/55/345173655.db2.gz FOIWMWPUTKSKDD-NEPJUHHUSA-N 3 1 213.369 0.759 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634990843 345173660 /nfs/dbraw/zinc/17/36/60/345173660.db2.gz FOIWMWPUTKSKDD-NEPJUHHUSA-N 3 1 213.369 0.759 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994673 345182911 /nfs/dbraw/zinc/18/29/11/345182911.db2.gz KDKNRBPSYMVLAW-OKZRHMCRSA-N 2 1 223.364 0.763 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000634995897 345185863 /nfs/dbraw/zinc/18/58/63/345185863.db2.gz SDSDNZQHODGUQS-NWDGAFQWSA-N 3 1 229.368 0.185 20 0 BCADMP O=C1CC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996908 345186927 /nfs/dbraw/zinc/18/69/27/345186927.db2.gz YRGXGTVMFIDQPX-BEVNXUHPSA-N 2 1 249.358 0.339 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996908 345186928 /nfs/dbraw/zinc/18/69/28/345186928.db2.gz YRGXGTVMFIDQPX-BEVNXUHPSA-N 2 1 249.358 0.339 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000634993620 345191072 /nfs/dbraw/zinc/19/10/72/345191072.db2.gz ACCDODDUUNSYHZ-NEPJUHHUSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000634993620 345191074 /nfs/dbraw/zinc/19/10/74/345191074.db2.gz ACCDODDUUNSYHZ-NEPJUHHUSA-N 3 1 213.369 0.888 20 0 BCADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634957925 345131632 /nfs/dbraw/zinc/13/16/32/345131632.db2.gz BQQNOWCWEPAVRO-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634957925 345131635 /nfs/dbraw/zinc/13/16/35/345131635.db2.gz BQQNOWCWEPAVRO-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP C([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCCO1 ZINC000634996218 345187337 /nfs/dbraw/zinc/18/73/37/345187337.db2.gz DDXJYVYXZKYOKF-CXQJBGSLSA-N 2 1 210.321 0.897 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996165 345187619 /nfs/dbraw/zinc/18/76/19/345187619.db2.gz BJRAVQHHJLSCCB-JHJVBQTASA-N 3 1 243.395 0.513 20 0 BCADMP CCO[C@@H]1CN(C[C@@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996165 345187623 /nfs/dbraw/zinc/18/76/23/345187623.db2.gz BJRAVQHHJLSCCB-JHJVBQTASA-N 2 1 243.395 0.513 20 0 BCADMP C[N@H+]1CCN(CC23CC(C2)C[NH2+]3)C(C)(C)C1 ZINC000634992838 345188299 /nfs/dbraw/zinc/18/82/99/345188299.db2.gz CLVRKQGBTWPFCA-UHFFFAOYSA-N 2 1 223.364 0.764 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000634998389 345198437 /nfs/dbraw/zinc/19/84/37/345198437.db2.gz FBSBQILYDGIYOA-ZYHUDNBSSA-N 2 1 249.362 0.569 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000634998389 345198439 /nfs/dbraw/zinc/19/84/39/345198439.db2.gz FBSBQILYDGIYOA-ZYHUDNBSSA-N 2 1 249.362 0.569 20 0 BCADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998293 345198520 /nfs/dbraw/zinc/19/85/20/345198520.db2.gz CYSGTPQRHPYLFF-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998293 345198523 /nfs/dbraw/zinc/19/85/23/345198523.db2.gz CYSGTPQRHPYLFF-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012810 345214924 /nfs/dbraw/zinc/21/49/24/345214924.db2.gz VPYVGTPXYFCXAV-ZYHUDNBSSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)C1C[NH2+]C1 ZINC000635013676 345218373 /nfs/dbraw/zinc/21/83/73/345218373.db2.gz UXQKFIAWSQCCIO-GXSJLCMTSA-N 2 1 220.320 0.916 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000635328521 345309844 /nfs/dbraw/zinc/30/98/44/345309844.db2.gz PCMYYCNBNCVSCB-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527458 345345825 /nfs/dbraw/zinc/34/58/25/345345825.db2.gz KGDOZCRMSMHDNF-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635400406 345347031 /nfs/dbraw/zinc/34/70/31/345347031.db2.gz VQUXPHXRSRJQSG-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635403027 345349055 /nfs/dbraw/zinc/34/90/55/345349055.db2.gz YSKJTJBSNKTCCG-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635422369 345358144 /nfs/dbraw/zinc/35/81/44/345358144.db2.gz LXQMPFTVTBNKOA-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248447980 345389289 /nfs/dbraw/zinc/38/92/89/345389289.db2.gz DLJZROFGXAQEDX-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168986122 345418425 /nfs/dbraw/zinc/41/84/25/345418425.db2.gz LOPRVBGGLHHJJQ-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP CC(C)N(CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336644768 187304808 /nfs/dbraw/zinc/30/48/08/187304808.db2.gz CNDVOYNCYUOIGF-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336644768 187304809 /nfs/dbraw/zinc/30/48/09/187304809.db2.gz CNDVOYNCYUOIGF-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336644768 187304811 /nfs/dbraw/zinc/30/48/11/187304811.db2.gz CNDVOYNCYUOIGF-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336644768 187304813 /nfs/dbraw/zinc/30/48/13/187304813.db2.gz CNDVOYNCYUOIGF-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336644768 187304815 /nfs/dbraw/zinc/30/48/15/187304815.db2.gz CNDVOYNCYUOIGF-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849870 345577298 /nfs/dbraw/zinc/57/72/98/345577298.db2.gz ILYFJOMGAOEZAM-FVCCEPFGSA-N 2 1 242.363 0.456 20 0 BCADMP Cc1cnn(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401664701 362606701 /nfs/dbraw/zinc/60/67/01/362606701.db2.gz GMYZICYGGPOSDV-UHFFFAOYSA-N 2 1 233.319 0.794 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645312 /nfs/dbraw/zinc/64/53/12/345645312.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645316 /nfs/dbraw/zinc/64/53/16/345645316.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645318 /nfs/dbraw/zinc/64/53/18/345645318.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645321 /nfs/dbraw/zinc/64/53/21/345645321.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559516 345748166 /nfs/dbraw/zinc/74/81/66/345748166.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000635559516 345748167 /nfs/dbraw/zinc/74/81/67/345748167.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000635559516 345748168 /nfs/dbraw/zinc/74/81/68/345748168.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559514 345748722 /nfs/dbraw/zinc/74/87/22/345748722.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000635559514 345748724 /nfs/dbraw/zinc/74/87/24/345748724.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000635559514 345748726 /nfs/dbraw/zinc/74/87/26/345748726.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000563149781 323095523 /nfs/dbraw/zinc/09/55/23/323095523.db2.gz JAPIMKKUFQTYIH-LBPRGKRZSA-N 2 1 238.335 0.981 20 0 BCADMP CC(C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000200125212 345728148 /nfs/dbraw/zinc/72/81/48/345728148.db2.gz WAZANTFLJQYBNJ-UHFFFAOYSA-N 2 1 213.369 0.964 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000635558452 345735684 /nfs/dbraw/zinc/73/56/84/345735684.db2.gz LFWMXKIJPYCUBU-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP [NH3+]CCOCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000563155246 323095945 /nfs/dbraw/zinc/09/59/45/323095945.db2.gz XYSBWAIIYBOOBS-UHFFFAOYSA-N 3 1 241.379 0.426 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559555 345760474 /nfs/dbraw/zinc/76/04/74/345760474.db2.gz TWTIINYJDPEKGC-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[S@@](=O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982138 345766505 /nfs/dbraw/zinc/76/65/05/345766505.db2.gz WQBGQSDNBSSOLL-HSMVNMDESA-N 2 1 244.404 0.971 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635592548 345885083 /nfs/dbraw/zinc/88/50/83/345885083.db2.gz VDBCWYAESJDGDW-NEPJUHHUSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635592548 345885085 /nfs/dbraw/zinc/88/50/85/345885085.db2.gz VDBCWYAESJDGDW-NEPJUHHUSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000635769162 346058890 /nfs/dbraw/zinc/05/88/90/346058890.db2.gz HKJFFFPJXBPMNX-SNVBAGLBSA-N 2 1 225.336 0.315 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC000586754190 346060699 /nfs/dbraw/zinc/06/06/99/346060699.db2.gz YMYUIESIOULUHE-NSHDSACASA-N 2 1 236.319 0.484 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929178 346110883 /nfs/dbraw/zinc/11/08/83/346110883.db2.gz RPXNQPDDBWLIOC-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000636028901 346164923 /nfs/dbraw/zinc/16/49/23/346164923.db2.gz GZJGMIFGCRCWCE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636028901 346164925 /nfs/dbraw/zinc/16/49/25/346164925.db2.gz GZJGMIFGCRCWCE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]cc1Cl ZINC000394777179 323108747 /nfs/dbraw/zinc/10/87/47/323108747.db2.gz XNMUSLAQIQPEBH-VIFPVBQESA-N 2 1 240.738 0.472 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069278187 349944194 /nfs/dbraw/zinc/94/41/94/349944194.db2.gz BHDOVZHGTVVRBF-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069278187 349944195 /nfs/dbraw/zinc/94/41/95/349944195.db2.gz BHDOVZHGTVVRBF-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000121377733 187318832 /nfs/dbraw/zinc/31/88/32/187318832.db2.gz IOCYJJCHHDZSMR-NQBHXWOUSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000069732791 349954728 /nfs/dbraw/zinc/95/47/28/349954728.db2.gz GDBMRCFBXKCUJN-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[NH+](C)[C@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000563366815 323121501 /nfs/dbraw/zinc/12/15/01/323121501.db2.gz XTPRYLMJLUCMNN-AGIUHOORSA-N 2 1 241.379 0.077 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574924015 346414200 /nfs/dbraw/zinc/41/42/00/346414200.db2.gz OZPGDBKPGSAFMR-VIFPVBQESA-N 2 1 247.289 0.323 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cncn1C ZINC000641798165 362743012 /nfs/dbraw/zinc/74/30/12/362743012.db2.gz LWOKWSJFLIHHSB-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cncn1C ZINC000641798164 362743087 /nfs/dbraw/zinc/74/30/87/362743087.db2.gz LWOKWSJFLIHHSB-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]1[NH2+]CCN(CCc2c[nH+]cn2C)[C@H]1C ZINC000641800175 362749672 /nfs/dbraw/zinc/74/96/72/362749672.db2.gz XXDXOQNQALSUCT-MNOVXSKESA-N 2 1 222.336 0.645 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000641799529 362748519 /nfs/dbraw/zinc/74/85/19/362748519.db2.gz QTHUYVCHSGHCKM-GFCCVEGCSA-N 2 1 240.326 0.596 20 0 BCADMP Cn1c[nH+]cc1CCN1CCCC[C@H]1C[NH3+] ZINC000641796755 362740094 /nfs/dbraw/zinc/74/00/94/362740094.db2.gz JALKGKSQPLCIFG-NSHDSACASA-N 2 1 222.336 0.776 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641796972 362741660 /nfs/dbraw/zinc/74/16/60/362741660.db2.gz OCLOSVIZJYOGKO-LBPRGKRZSA-N 2 1 236.363 0.894 20 0 BCADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801830 362757586 /nfs/dbraw/zinc/75/75/86/362757586.db2.gz FPPFNUGKQODWNL-MNOVXSKESA-N 2 1 211.353 0.701 20 0 BCADMP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1N ZINC000641801832 362757750 /nfs/dbraw/zinc/75/77/50/362757750.db2.gz FPPFNUGKQODWNL-WDEREUQCSA-N 2 1 211.353 0.701 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1cn[nH]c1)C2 ZINC000641817949 362768906 /nfs/dbraw/zinc/76/89/06/362768906.db2.gz ABVJWWPUQVAGLS-BETUJISGSA-N 2 1 234.347 0.884 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1cn[nH]c1)C2 ZINC000641817949 362768912 /nfs/dbraw/zinc/76/89/12/362768912.db2.gz ABVJWWPUQVAGLS-BETUJISGSA-N 2 1 234.347 0.884 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000580632526 365833658 /nfs/dbraw/zinc/83/36/58/365833658.db2.gz NMIGVCWRBOCJOZ-NSHDSACASA-N 2 1 244.383 0.705 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000380157928 346582786 /nfs/dbraw/zinc/58/27/86/346582786.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000380157928 346582788 /nfs/dbraw/zinc/58/27/88/346582788.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000380157928 346582792 /nfs/dbraw/zinc/58/27/92/346582792.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP COC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380196296 346588105 /nfs/dbraw/zinc/58/81/05/346588105.db2.gz RCYYTMBIJGNVHT-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH2+]C ZINC000563595436 323131207 /nfs/dbraw/zinc/13/12/07/323131207.db2.gz IWIURWDYACMHHT-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP Cn1ncnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380052391 365831003 /nfs/dbraw/zinc/83/10/03/365831003.db2.gz VWEKWLIXDVDPKU-PHIMTYICSA-N 2 1 235.335 0.247 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000300406727 346612826 /nfs/dbraw/zinc/61/28/26/346612826.db2.gz BGJPUERENPFPBQ-DGCLKSJQSA-N 2 1 241.379 0.833 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000641818005 362769703 /nfs/dbraw/zinc/76/97/03/362769703.db2.gz BPQUCSSFGDMFGE-GHMZBOCLSA-N 2 1 226.299 0.334 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000580648164 365843330 /nfs/dbraw/zinc/84/33/30/365843330.db2.gz CPHBXLDIOOTDSM-RNFRBKRXSA-N 2 1 242.348 0.457 20 0 BCADMP C[C@@H](c1cccnc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000580650300 365845346 /nfs/dbraw/zinc/84/53/46/365845346.db2.gz VZWPKVJBMILYGA-GXSJLCMTSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000580650300 365845349 /nfs/dbraw/zinc/84/53/49/365845349.db2.gz VZWPKVJBMILYGA-GXSJLCMTSA-N 2 1 209.293 0.394 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000300420943 346745348 /nfs/dbraw/zinc/74/53/48/346745348.db2.gz APCDGISACBPSON-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766811 346792753 /nfs/dbraw/zinc/79/27/53/346792753.db2.gz URQKOGYUTMWHSP-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1CO ZINC000622004684 370655160 /nfs/dbraw/zinc/65/51/60/370655160.db2.gz SKDOXFHEYDHGGQ-JHJVBQTASA-N 2 1 226.364 0.936 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CO ZINC000622004857 370655174 /nfs/dbraw/zinc/65/51/74/370655174.db2.gz VTRAFYPUHCJLTC-WCQYABFASA-N 2 1 226.364 0.936 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063286 347157382 /nfs/dbraw/zinc/15/73/82/347157382.db2.gz WKTOBCSUMVWJBX-JHJVBQTASA-N 2 1 241.379 0.376 20 0 BCADMP COc1cc(C[N@H+](C)CCOCC[NH3+])on1 ZINC000641819085 362771427 /nfs/dbraw/zinc/77/14/27/362771427.db2.gz HOSNVYCVKIIREV-UHFFFAOYSA-N 2 1 229.280 0.090 20 0 BCADMP COc1cc(C[N@@H+](C)CCOCC[NH3+])on1 ZINC000641819085 362771428 /nfs/dbraw/zinc/77/14/28/362771428.db2.gz HOSNVYCVKIIREV-UHFFFAOYSA-N 2 1 229.280 0.090 20 0 BCADMP CN(CCc1c[nH+]cn1C)CC(C)(C)[NH3+] ZINC000641822972 362772002 /nfs/dbraw/zinc/77/20/02/362772002.db2.gz OMLMWQKKBFIXIH-UHFFFAOYSA-N 2 1 210.325 0.632 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326452 347208793 /nfs/dbraw/zinc/20/87/93/347208793.db2.gz MYQHNMDAEKBCCJ-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310073696 347226418 /nfs/dbraw/zinc/22/64/18/347226418.db2.gz FKHXWSGSWPWIPG-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310073699 347226494 /nfs/dbraw/zinc/22/64/94/347226494.db2.gz FKHXWSGSWPWIPG-RKDXNWHRSA-N 2 1 249.305 0.569 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000571337260 323141804 /nfs/dbraw/zinc/14/18/04/323141804.db2.gz SIXOYZDNNSBSAX-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000310312007 347261497 /nfs/dbraw/zinc/26/14/97/347261497.db2.gz WRBAZEGKNNTMFR-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000310312007 347261498 /nfs/dbraw/zinc/26/14/98/347261498.db2.gz WRBAZEGKNNTMFR-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321405 347264410 /nfs/dbraw/zinc/26/44/10/347264410.db2.gz YUDBWBLVUXTDFF-CYBMUJFWSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000310442274 347282929 /nfs/dbraw/zinc/28/29/29/347282929.db2.gz WCTTUXRNAPDSAM-ZYHUDNBSSA-N 2 1 240.351 0.383 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250610967 362812582 /nfs/dbraw/zinc/81/25/82/362812582.db2.gz MQFPBBJKTIQJPY-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000019483202 347329405 /nfs/dbraw/zinc/32/94/05/347329405.db2.gz FKVGMHMWZNLATK-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000381761872 347305493 /nfs/dbraw/zinc/30/54/93/347305493.db2.gz UDPFFTHONZYBJF-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380839562 347399032 /nfs/dbraw/zinc/39/90/32/347399032.db2.gz TUYSVJWNQXZICN-MXWKQRLJSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380839562 347399034 /nfs/dbraw/zinc/39/90/34/347399034.db2.gz TUYSVJWNQXZICN-MXWKQRLJSA-N 2 1 225.336 0.004 20 0 BCADMP CN(Cc1c[nH]cn1)C(=O)[C@H]1CCCN1C ZINC000616925395 347456592 /nfs/dbraw/zinc/45/65/92/347456592.db2.gz GKVPZLUOBTUDER-SNVBAGLBSA-N 2 1 222.292 0.462 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616995473 347572203 /nfs/dbraw/zinc/57/22/03/347572203.db2.gz RZXNXXOUTQSFRK-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591423095 347657547 /nfs/dbraw/zinc/65/75/47/347657547.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591423095 347657550 /nfs/dbraw/zinc/65/75/50/347657550.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591423095 347657554 /nfs/dbraw/zinc/65/75/54/347657554.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591423105 347657827 /nfs/dbraw/zinc/65/78/27/347657827.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591423105 347657832 /nfs/dbraw/zinc/65/78/32/347657832.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591423105 347657835 /nfs/dbraw/zinc/65/78/35/347657835.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591916153 347708562 /nfs/dbraw/zinc/70/85/62/347708562.db2.gz YNINGAVTFBEBTH-NSHDSACASA-N 2 1 236.319 0.656 20 0 BCADMP CCNC(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000591916153 347708565 /nfs/dbraw/zinc/70/85/65/347708565.db2.gz YNINGAVTFBEBTH-NSHDSACASA-N 2 1 236.319 0.656 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000591456798 347665117 /nfs/dbraw/zinc/66/51/17/347665117.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000591456798 347665119 /nfs/dbraw/zinc/66/51/19/347665119.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000591456798 347665121 /nfs/dbraw/zinc/66/51/21/347665121.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(N)=O ZINC000227734823 535065241 /nfs/dbraw/zinc/06/52/41/535065241.db2.gz GVIYEDAWJYBCIP-DTWKUNHWSA-N 2 1 201.314 0.165 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(N)=O ZINC000227734823 535065249 /nfs/dbraw/zinc/06/52/49/535065249.db2.gz GVIYEDAWJYBCIP-DTWKUNHWSA-N 2 1 201.314 0.165 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592488204 347787011 /nfs/dbraw/zinc/78/70/11/347787011.db2.gz HDRGHKLSJQHYBE-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000227737268 535066239 /nfs/dbraw/zinc/06/62/39/535066239.db2.gz BQVNWMZWEVQBEB-WDEREUQCSA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000227737268 535066250 /nfs/dbraw/zinc/06/62/50/535066250.db2.gz BQVNWMZWEVQBEB-WDEREUQCSA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000070203085 349977128 /nfs/dbraw/zinc/97/71/28/349977128.db2.gz DHKDDOIMUKVLLN-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](CSCCF)[NH2+]C[C@H](O)C[NH+](C)C ZINC000595020069 348171451 /nfs/dbraw/zinc/17/14/51/348171451.db2.gz SWUAGPKLDNXIBE-ZJUUUORDSA-N 2 1 238.372 0.590 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CNCCO1 ZINC000595892112 348390874 /nfs/dbraw/zinc/39/08/74/348390874.db2.gz KSNRKQLWVUGBAR-MNOVXSKESA-N 2 1 242.319 0.002 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902602 348395347 /nfs/dbraw/zinc/39/53/47/348395347.db2.gz AMQQPYKSBQYVME-VXGBXAGGSA-N 2 1 235.331 0.196 20 0 BCADMP CS[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309101363 349986971 /nfs/dbraw/zinc/98/69/71/349986971.db2.gz JGSNAYXXAFMVLH-ONGXEEELSA-N 2 1 232.393 0.783 20 0 BCADMP CS[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101363 349986972 /nfs/dbraw/zinc/98/69/72/349986972.db2.gz JGSNAYXXAFMVLH-ONGXEEELSA-N 2 1 232.393 0.783 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000596103208 348440286 /nfs/dbraw/zinc/44/02/86/348440286.db2.gz CPJGKKNGZBXCEZ-SECBINFHSA-N 2 1 216.325 0.773 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399237939 323201208 /nfs/dbraw/zinc/20/12/08/323201208.db2.gz HSDUXEZDXGKYIM-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCCC[NH3+] ZINC000420123102 192167949 /nfs/dbraw/zinc/16/79/49/192167949.db2.gz ASRJJKGMUWFLHG-UHFFFAOYSA-N 2 1 223.276 0.441 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078750519 490226372 /nfs/dbraw/zinc/22/63/72/490226372.db2.gz PTRRBQVEVQTJPT-NSHDSACASA-N 2 1 245.367 0.021 20 0 BCADMP C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599297165 349150377 /nfs/dbraw/zinc/15/03/77/349150377.db2.gz OSOHEYZPBNUFHV-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599301099 349141260 /nfs/dbraw/zinc/14/12/60/349141260.db2.gz GFJNWBDTMKORIA-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000251026602 349181939 /nfs/dbraw/zinc/18/19/39/349181939.db2.gz GFLRQQJNUKWSEM-FIQHERPVSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000251026602 349181942 /nfs/dbraw/zinc/18/19/42/349181942.db2.gz GFLRQQJNUKWSEM-FIQHERPVSA-N 2 1 212.337 0.972 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH2+]C)C1 ZINC000250340508 349169630 /nfs/dbraw/zinc/16/96/30/349169630.db2.gz PRYYJHYAMLSLIS-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP CN1CC[N@H+](C)C[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000250400881 349170794 /nfs/dbraw/zinc/17/07/94/349170794.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 2 1 240.395 0.092 20 0 BCADMP CN1CC[N@@H+](C)C[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000250400881 349170798 /nfs/dbraw/zinc/17/07/98/349170798.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 2 1 240.395 0.092 20 0 BCADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]1 ZINC000530219305 323218176 /nfs/dbraw/zinc/21/81/76/323218176.db2.gz JCFJSWMPXJWOJP-VOBJUBJWSA-N 2 1 210.321 0.896 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000252222771 349198865 /nfs/dbraw/zinc/19/88/65/349198865.db2.gz ZMOCDAXUAVMZRA-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252598877 349201128 /nfs/dbraw/zinc/20/11/28/349201128.db2.gz KGDFTQXJXFQISV-QJPTWQEYSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCCCF)C1CC1 ZINC000308991309 349267433 /nfs/dbraw/zinc/26/74/33/349267433.db2.gz NYTZNWPVMTZRNR-LLVKDONJSA-N 2 1 218.316 0.781 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCF)C1CC1 ZINC000308991309 349267434 /nfs/dbraw/zinc/26/74/34/349267434.db2.gz NYTZNWPVMTZRNR-LLVKDONJSA-N 2 1 218.316 0.781 20 0 BCADMP CC[N@H+](C)C[C@H](O)Cn1c[nH+]c(C)c1C ZINC000309019624 349305428 /nfs/dbraw/zinc/30/54/28/349305428.db2.gz SYTOTARNMWCTJU-NSHDSACASA-N 2 1 211.309 0.813 20 0 BCADMP CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c(C)c1C ZINC000309019624 349305430 /nfs/dbraw/zinc/30/54/30/349305430.db2.gz SYTOTARNMWCTJU-NSHDSACASA-N 2 1 211.309 0.813 20 0 BCADMP C[N@@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619342 350029503 /nfs/dbraw/zinc/02/95/03/350029503.db2.gz CBSHRYJAPUDERY-LBPRGKRZSA-N 2 1 225.336 0.339 20 0 BCADMP COC(=O)C1(C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000602022989 349419695 /nfs/dbraw/zinc/41/96/95/349419695.db2.gz VNUXGTRHHUYDSN-UHFFFAOYSA-N 2 1 224.304 0.281 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218944458 350107993 /nfs/dbraw/zinc/10/79/93/350107993.db2.gz ARIPYODQBORHGL-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000304429907 350155983 /nfs/dbraw/zinc/15/59/83/350155983.db2.gz SMIUBQXZNUOJMO-GFCCVEGCSA-N 2 1 222.336 0.862 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000309234071 350216426 /nfs/dbraw/zinc/21/64/26/350216426.db2.gz JEVGGADWMHXLRO-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000309234071 350216429 /nfs/dbraw/zinc/21/64/29/350216429.db2.gz JEVGGADWMHXLRO-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000309234071 350216430 /nfs/dbraw/zinc/21/64/30/350216430.db2.gz JEVGGADWMHXLRO-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000309234071 350216431 /nfs/dbraw/zinc/21/64/31/350216431.db2.gz JEVGGADWMHXLRO-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000230191477 490388295 /nfs/dbraw/zinc/38/82/95/490388295.db2.gz XIUJSVBFFLOZJB-GARJFASQSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000230191477 490388299 /nfs/dbraw/zinc/38/82/99/490388299.db2.gz XIUJSVBFFLOZJB-GARJFASQSA-N 2 1 225.336 0.147 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[NH2+]CC1 ZINC000042354865 180229694 /nfs/dbraw/zinc/22/96/94/180229694.db2.gz HHUJFZWACYEKSR-UHFFFAOYSA-N 2 1 222.292 0.013 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334699362 180229743 /nfs/dbraw/zinc/22/97/43/180229743.db2.gz DVMFTMIISXCITQ-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000276172344 180250271 /nfs/dbraw/zinc/25/02/71/180250271.db2.gz JDDMGCKBCUXHLF-WDEREUQCSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000276172344 180250273 /nfs/dbraw/zinc/25/02/73/180250273.db2.gz JDDMGCKBCUXHLF-WDEREUQCSA-N 2 1 241.335 0.255 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CC(O)C1 ZINC000309256036 350244614 /nfs/dbraw/zinc/24/46/14/350244614.db2.gz OEZKZQRPGBVOGH-HTAVTVPLSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CC(O)C1 ZINC000309256036 350244615 /nfs/dbraw/zinc/24/46/15/350244615.db2.gz OEZKZQRPGBVOGH-HTAVTVPLSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000309256036 350244617 /nfs/dbraw/zinc/24/46/17/350244617.db2.gz OEZKZQRPGBVOGH-HTAVTVPLSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CC(O)C1 ZINC000309256036 350244618 /nfs/dbraw/zinc/24/46/18/350244618.db2.gz OEZKZQRPGBVOGH-HTAVTVPLSA-N 2 1 230.352 0.002 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCOC1 ZINC000270896177 180251204 /nfs/dbraw/zinc/25/12/04/180251204.db2.gz QCGKPRJJVDJVNK-NSHDSACASA-N 2 1 209.293 0.912 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCOC1 ZINC000270896177 180251207 /nfs/dbraw/zinc/25/12/07/180251207.db2.gz QCGKPRJJVDJVNK-NSHDSACASA-N 2 1 209.293 0.912 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000276172341 180253068 /nfs/dbraw/zinc/25/30/68/180253068.db2.gz JDDMGCKBCUXHLF-MNOVXSKESA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000276172341 180253069 /nfs/dbraw/zinc/25/30/69/180253069.db2.gz JDDMGCKBCUXHLF-MNOVXSKESA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C[C@@H](C)O ZINC000289757922 180240383 /nfs/dbraw/zinc/24/03/83/180240383.db2.gz KOISNQVYTVKPOA-LLVKDONJSA-N 2 1 241.335 0.257 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C[C@@H](C)O ZINC000289757922 180240386 /nfs/dbraw/zinc/24/03/86/180240386.db2.gz KOISNQVYTVKPOA-LLVKDONJSA-N 2 1 241.335 0.257 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C[C@H](C)O ZINC000289757926 180240908 /nfs/dbraw/zinc/24/09/08/180240908.db2.gz KOISNQVYTVKPOA-NSHDSACASA-N 2 1 241.335 0.257 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C[C@H](C)O ZINC000289757926 180240911 /nfs/dbraw/zinc/24/09/11/180240911.db2.gz KOISNQVYTVKPOA-NSHDSACASA-N 2 1 241.335 0.257 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[NH3+] ZINC000308837381 180244849 /nfs/dbraw/zinc/24/48/49/180244849.db2.gz LVSCPOCGANCMPP-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000130658803 490434933 /nfs/dbraw/zinc/43/49/33/490434933.db2.gz FXVPVOIDUAAKIA-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1([NH3+])CC1 ZINC000262171016 180266246 /nfs/dbraw/zinc/26/62/46/180266246.db2.gz XIEZWMCBNLPYKY-VIFPVBQESA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000178847759 180267840 /nfs/dbraw/zinc/26/78/40/180267840.db2.gz QZEZVSGYRJFCLL-GXSJLCMTSA-N 2 1 236.319 0.530 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000606344810 350314886 /nfs/dbraw/zinc/31/48/86/350314886.db2.gz IABRUKIRVWUYFN-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000606371685 350318871 /nfs/dbraw/zinc/31/88/71/350318871.db2.gz PHQXCNNPIPQJRZ-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CN(C)C(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126801928 490519391 /nfs/dbraw/zinc/51/93/91/490519391.db2.gz MFOOIMUJPCPMGX-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126801928 490519396 /nfs/dbraw/zinc/51/93/96/490519396.db2.gz MFOOIMUJPCPMGX-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COC[C@H]2O)CC1(C)C ZINC000623540775 362959343 /nfs/dbraw/zinc/95/93/43/362959343.db2.gz IXJVNHWQKFLBKA-HBNTYKKESA-N 2 1 228.336 0.209 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC[C@H]2O)CC1(C)C ZINC000623540775 362959349 /nfs/dbraw/zinc/95/93/49/362959349.db2.gz IXJVNHWQKFLBKA-HBNTYKKESA-N 2 1 228.336 0.209 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000577496037 365969763 /nfs/dbraw/zinc/96/97/63/365969763.db2.gz JHEIZBWYNRGXKV-ZDUSSCGKSA-N 2 1 241.379 0.975 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547766 362967892 /nfs/dbraw/zinc/96/78/92/362967892.db2.gz BFVPSGQGKRMBJK-SDDRHHMPSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547766 362967895 /nfs/dbraw/zinc/96/78/95/362967895.db2.gz BFVPSGQGKRMBJK-SDDRHHMPSA-N 2 1 242.363 0.863 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080993518 490667963 /nfs/dbraw/zinc/66/79/63/490667963.db2.gz YVDANPJWJZASCM-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CC(C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338230696 350673856 /nfs/dbraw/zinc/67/38/56/350673856.db2.gz IHCVYQVRXXMXGR-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CC(C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338230696 350673859 /nfs/dbraw/zinc/67/38/59/350673859.db2.gz IHCVYQVRXXMXGR-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623556855 362977140 /nfs/dbraw/zinc/97/71/40/362977140.db2.gz BFVPSGQGKRMBJK-QJPTWQEYSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623556855 362977146 /nfs/dbraw/zinc/97/71/46/362977146.db2.gz BFVPSGQGKRMBJK-QJPTWQEYSA-N 2 1 242.363 0.863 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000346696404 365991996 /nfs/dbraw/zinc/99/19/96/365991996.db2.gz PGVYGTSNTFPTHN-NQBHXWOUSA-N 2 1 241.379 0.124 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562035 362985946 /nfs/dbraw/zinc/98/59/46/362985946.db2.gz FOMPWXWTFANVHM-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562035 362985950 /nfs/dbraw/zinc/98/59/50/362985950.db2.gz FOMPWXWTFANVHM-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626966799 363066208 /nfs/dbraw/zinc/06/62/08/363066208.db2.gz ZRWGEKFHCSLZQQ-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000577637037 366028219 /nfs/dbraw/zinc/02/82/19/366028219.db2.gz GOUAWTHSDBZGHT-WRWGMCAJSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+](C)C1CC1 ZINC000626975734 363074279 /nfs/dbraw/zinc/07/42/79/363074279.db2.gz CMZZYCLIMSJWDU-GXSJLCMTSA-N 2 1 240.351 0.130 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@H+]1C ZINC000637802806 351638054 /nfs/dbraw/zinc/63/80/54/351638054.db2.gz UZLPIKFDLKXWEA-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000637806612 351644017 /nfs/dbraw/zinc/64/40/17/351644017.db2.gz YXZXSHAHYXTCAY-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637817096 351659098 /nfs/dbraw/zinc/65/90/98/351659098.db2.gz POLABZDAGPITNX-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637796978 351623543 /nfs/dbraw/zinc/62/35/43/351623543.db2.gz FVDZKIPLKWPCBY-CYBMUJFWSA-N 2 1 247.342 0.583 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000637840461 351695846 /nfs/dbraw/zinc/69/58/46/351695846.db2.gz JCBZRXBRAYCVTP-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)Cn1c[nH+]cc1C ZINC000637841168 351697503 /nfs/dbraw/zinc/69/75/03/351697503.db2.gz RJXLKSHICZSZQR-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637843913 351703049 /nfs/dbraw/zinc/70/30/49/351703049.db2.gz CEIBKUDXZBETIT-GXSJLCMTSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637843914 351703146 /nfs/dbraw/zinc/70/31/46/351703146.db2.gz CEIBKUDXZBETIT-KOLCDFICSA-N 2 1 236.319 0.387 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637847747 351703948 /nfs/dbraw/zinc/70/39/48/351703948.db2.gz CLAKEUVVXSGXPF-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000637826171 351672397 /nfs/dbraw/zinc/67/23/97/351672397.db2.gz KJJQXSZXGSTAOJ-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000637826747 351674273 /nfs/dbraw/zinc/67/42/73/351674273.db2.gz XXZHJNGUVJOPMD-UHFFFAOYSA-N 2 1 249.358 0.497 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827364 351676111 /nfs/dbraw/zinc/67/61/11/351676111.db2.gz QKJCMTVGIUOQMA-JTQLQIEISA-N 2 1 222.292 0.060 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637865933 351725597 /nfs/dbraw/zinc/72/55/97/351725597.db2.gz GMNGBNPVACGYNH-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637851141 351709728 /nfs/dbraw/zinc/70/97/28/351709728.db2.gz YXSZVKSZFGPGTG-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637854861 351713819 /nfs/dbraw/zinc/71/38/19/351713819.db2.gz GWUBKJJAQVYVOQ-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637854859 351714325 /nfs/dbraw/zinc/71/43/25/351714325.db2.gz GWUBKJJAQVYVOQ-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023889 358466811 /nfs/dbraw/zinc/46/68/11/358466811.db2.gz BOLWRWIITSUELP-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000638060543 351933229 /nfs/dbraw/zinc/93/32/29/351933229.db2.gz WTSINQWYJPXICA-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638072837 351942231 /nfs/dbraw/zinc/94/22/31/351942231.db2.gz PZEKDWWTVRQBJO-PWSUYJOCSA-N 2 1 249.358 0.634 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071261 351943389 /nfs/dbraw/zinc/94/33/89/351943389.db2.gz BBWYHTIAXCBYAG-JQWIXIFHSA-N 2 1 237.347 0.492 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638071503 351943681 /nfs/dbraw/zinc/94/36/81/351943681.db2.gz FXDNITDMKBGWHW-AGIUHOORSA-N 2 1 249.358 0.777 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638072836 351944947 /nfs/dbraw/zinc/94/49/47/351944947.db2.gz PZEKDWWTVRQBJO-JQWIXIFHSA-N 2 1 249.358 0.634 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638147596 352008950 /nfs/dbraw/zinc/00/89/50/352008950.db2.gz WOWZXNVODQWFOR-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076333 351949369 /nfs/dbraw/zinc/94/93/69/351949369.db2.gz KKWDNYZVQARALJ-QWRGUYRKSA-N 2 1 223.320 0.244 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]CC ZINC000638089896 351967300 /nfs/dbraw/zinc/96/73/00/351967300.db2.gz UCNAGSNGPYWMBN-LLVKDONJSA-N 2 1 229.368 0.833 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091469 351968119 /nfs/dbraw/zinc/96/81/19/351968119.db2.gz VTFIDCYCFQEVSF-LLVKDONJSA-N 2 1 234.303 0.355 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000638096611 351976811 /nfs/dbraw/zinc/97/68/11/351976811.db2.gz KNWUKDUCDNVEEA-MNOVXSKESA-N 2 1 229.368 0.831 20 0 BCADMP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000638099160 351978523 /nfs/dbraw/zinc/97/85/23/351978523.db2.gz ACSAPZCAICMDAV-ONGXEEELSA-N 2 1 237.347 0.633 20 0 BCADMP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000638099158 351978991 /nfs/dbraw/zinc/97/89/91/351978991.db2.gz ACSAPZCAICMDAV-KOLCDFICSA-N 2 1 237.347 0.633 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638102440 351981738 /nfs/dbraw/zinc/98/17/38/351981738.db2.gz UYTBKWRDMXADSJ-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134475 352002479 /nfs/dbraw/zinc/00/24/79/352002479.db2.gz NODKZHRWUAEHRF-CDMKHQONSA-N 2 1 249.358 0.633 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638214618 352076381 /nfs/dbraw/zinc/07/63/81/352076381.db2.gz AUAKBOIFCLINBP-JQWIXIFHSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638201030 352060830 /nfs/dbraw/zinc/06/08/30/352060830.db2.gz AASJVASLUQEWRC-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638200116 352061135 /nfs/dbraw/zinc/06/11/35/352061135.db2.gz ONZMFAQDVNMUSH-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638198149 352061596 /nfs/dbraw/zinc/06/15/96/352061596.db2.gz AATSWHMQCDCGHO-GHMZBOCLSA-N 2 1 236.319 0.578 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213841 352075628 /nfs/dbraw/zinc/07/56/28/352075628.db2.gz JYUQYOJLZLGIFU-UTUOFQBUSA-N 2 1 237.347 0.006 20 0 BCADMP C[C@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638209773 352072381 /nfs/dbraw/zinc/07/23/81/352072381.db2.gz CCPKLASABXBHOG-VIFPVBQESA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000638209923 352072776 /nfs/dbraw/zinc/07/27/76/352072776.db2.gz FYDZLEVQWPEQFU-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000638156084 352018883 /nfs/dbraw/zinc/01/88/83/352018883.db2.gz GOHGKGLNSHZNRM-VHSXEESVSA-N 2 1 236.319 0.400 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH3+] ZINC000638169440 352033529 /nfs/dbraw/zinc/03/35/29/352033529.db2.gz AJXWCAZSJFULQC-SECBINFHSA-N 2 1 224.308 0.470 20 0 BCADMP C[N@H+]1CCCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638171364 352037869 /nfs/dbraw/zinc/03/78/69/352037869.db2.gz UOBSGJUWDDAJAE-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000638282371 352120419 /nfs/dbraw/zinc/12/04/19/352120419.db2.gz DGKLFSRGZYSPIO-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000638282371 352120420 /nfs/dbraw/zinc/12/04/20/352120420.db2.gz DGKLFSRGZYSPIO-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638220814 352079899 /nfs/dbraw/zinc/07/98/99/352079899.db2.gz SNXGHJBUSXPCAE-GFCCVEGCSA-N 2 1 236.319 0.389 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243269 352090704 /nfs/dbraw/zinc/09/07/04/352090704.db2.gz MSJDDZZPOAKRFC-IAZYJMLFSA-N 2 1 248.330 0.341 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC(C)(C)CCC[NH3+] ZINC000638246157 352092811 /nfs/dbraw/zinc/09/28/11/352092811.db2.gz AHABTJOSLXSULX-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638253204 352096333 /nfs/dbraw/zinc/09/63/33/352096333.db2.gz IFDQSGGCAVVAGD-KOLCDFICSA-N 2 1 231.315 0.144 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638254863 352097976 /nfs/dbraw/zinc/09/79/76/352097976.db2.gz IZLVKFGUONKNCE-NXEZZACHSA-N 2 1 229.368 0.816 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCC[NH3+] ZINC000638251846 352099300 /nfs/dbraw/zinc/09/93/00/352099300.db2.gz LCZRTUBSPXSWKP-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638256823 352100078 /nfs/dbraw/zinc/10/00/78/352100078.db2.gz UCFKSEBQDGTWAR-MRVPVSSYSA-N 2 1 246.261 0.290 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000638257344 352100709 /nfs/dbraw/zinc/10/07/09/352100709.db2.gz VAYHIVMNVVJODZ-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638257360 352100818 /nfs/dbraw/zinc/10/08/18/352100818.db2.gz VDACOPLLZNTEQE-VHSXEESVSA-N 2 1 238.335 0.858 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638256104 352102873 /nfs/dbraw/zinc/10/28/73/352102873.db2.gz NPUDMDVBJXEVAU-GUBZILKMSA-N 2 1 213.325 0.180 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638269288 352108786 /nfs/dbraw/zinc/10/87/86/352108786.db2.gz XYYDHBMGFNFOEE-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638344523 352163844 /nfs/dbraw/zinc/16/38/44/352163844.db2.gz ROQOOJMHWPOVIW-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C2CC2)C1 ZINC000638374024 352186442 /nfs/dbraw/zinc/18/64/42/352186442.db2.gz HLDBPCVCKXYWEK-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000638312239 352138187 /nfs/dbraw/zinc/13/81/87/352138187.db2.gz FCRDSNJQNUMJJV-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638395910 352203318 /nfs/dbraw/zinc/20/33/18/352203318.db2.gz FVSOOULHGAGDED-MWLCHTKSSA-N 2 1 236.319 0.530 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638399537 352204568 /nfs/dbraw/zinc/20/45/68/352204568.db2.gz ITFKJRIRYUYEON-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638399030 352205861 /nfs/dbraw/zinc/20/58/61/352205861.db2.gz XRCZZOJPDQRYEF-KOLCDFICSA-N 2 1 236.319 0.530 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCCC2)C1 ZINC000638409636 352216535 /nfs/dbraw/zinc/21/65/35/352216535.db2.gz NCRGLAKLEAGCHP-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000638414998 352225168 /nfs/dbraw/zinc/22/51/68/352225168.db2.gz DPVQOQKBYBKOBD-WAAKLRNESA-N 2 1 239.363 0.726 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417710 352227478 /nfs/dbraw/zinc/22/74/78/352227478.db2.gz JIYKYYMQNGYSFZ-XSRFYTQQSA-N 2 1 237.347 0.278 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000638432752 352241673 /nfs/dbraw/zinc/24/16/73/352241673.db2.gz MADCWVSCEMUXMT-SNVBAGLBSA-N 2 1 238.335 0.731 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638419651 352228788 /nfs/dbraw/zinc/22/87/88/352228788.db2.gz YCYQJHWXLXLUDY-AKJDGMEZSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638424581 352232278 /nfs/dbraw/zinc/23/22/78/352232278.db2.gz CZBITJYGHISWAO-ZBOXLXRLSA-N 2 1 237.347 0.196 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442071 352248933 /nfs/dbraw/zinc/24/89/33/352248933.db2.gz NZKKABRZCWIDIT-WCQYABFASA-N 2 1 248.330 0.531 20 0 BCADMP COC[C@]1(C[NH2+][C@H]2CCO[C@H]2C)CCC[NH2+]1 ZINC000414944661 352367287 /nfs/dbraw/zinc/36/72/87/352367287.db2.gz OHGXEZGPNRJSJR-SDDRHHMPSA-N 2 1 228.336 0.522 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383169315 352519006 /nfs/dbraw/zinc/51/90/06/352519006.db2.gz PIWWMWHDZRQNKJ-VIFPVBQESA-N 2 1 236.319 0.448 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388767064 352555637 /nfs/dbraw/zinc/55/56/37/352555637.db2.gz SZOBYYBGDHKPFJ-JHJVBQTASA-N 2 1 244.379 0.704 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](CO)CCOC)CC1 ZINC000300797961 352575411 /nfs/dbraw/zinc/57/54/11/352575411.db2.gz DJMNEVVJHYAPTH-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772454 352714937 /nfs/dbraw/zinc/71/49/37/352714937.db2.gz AGPGVIDTZOZPRP-VHSXEESVSA-N 2 1 222.292 0.058 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000334221153 352824810 /nfs/dbraw/zinc/82/48/10/352824810.db2.gz WKJNROUNVWTACV-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000334221153 352824811 /nfs/dbraw/zinc/82/48/11/352824811.db2.gz WKJNROUNVWTACV-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000334221153 352824815 /nfs/dbraw/zinc/82/48/15/352824815.db2.gz WKJNROUNVWTACV-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](CCO)CCCO ZINC000342856642 352877910 /nfs/dbraw/zinc/87/79/10/352877910.db2.gz GPQPTXQXKSHYCK-UHFFFAOYSA-N 2 1 241.335 0.258 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)CCCO ZINC000342856642 352877913 /nfs/dbraw/zinc/87/79/13/352877913.db2.gz GPQPTXQXKSHYCK-UHFFFAOYSA-N 2 1 241.335 0.258 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068486 363200321 /nfs/dbraw/zinc/20/03/21/363200321.db2.gz KLBZSTWHDPKQPC-NSHDSACASA-N 2 1 240.351 0.132 20 0 BCADMP c1ccc(CC[N@H+]2CC[C@@H](NC3C[NH2+]C3)C2)cc1 ZINC000583493840 353028936 /nfs/dbraw/zinc/02/89/36/353028936.db2.gz CAACKNRMLYSLLW-CQSZACIVSA-N 2 1 245.370 0.865 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924742 353085580 /nfs/dbraw/zinc/08/55/80/353085580.db2.gz DXYSQHMXGYTOSC-PHIMTYICSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926695 353087290 /nfs/dbraw/zinc/08/72/90/353087290.db2.gz LAORWOINUCTZNY-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000638931535 353093152 /nfs/dbraw/zinc/09/31/52/353093152.db2.gz PXUXJPWQRKKRSE-WISYIIOYSA-N 2 1 239.363 0.665 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638931776 353093252 /nfs/dbraw/zinc/09/32/52/353093252.db2.gz RUGOSLAAYQXAMM-PSASIEDQSA-N 2 1 222.292 0.140 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638935601 353099357 /nfs/dbraw/zinc/09/93/57/353099357.db2.gz OAHHKTSIXLCPQK-UWVGGRQHSA-N 2 1 213.325 0.275 20 0 BCADMP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCOCC1 ZINC000062619359 188013317 /nfs/dbraw/zinc/01/33/17/188013317.db2.gz AXOUMJNMEGCTGC-OLZOCXBDSA-N 2 1 239.363 0.145 20 0 BCADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCOCC1 ZINC000062619359 188013319 /nfs/dbraw/zinc/01/33/19/188013319.db2.gz AXOUMJNMEGCTGC-OLZOCXBDSA-N 2 1 239.363 0.145 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726679 188044264 /nfs/dbraw/zinc/04/42/64/188044264.db2.gz VMCJQVUTSXHXSX-MWLCHTKSSA-N 2 1 239.363 0.713 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000336538216 188032629 /nfs/dbraw/zinc/03/26/29/188032629.db2.gz PXMIKUDERNDWND-BETUJISGSA-N 3 1 223.364 0.527 20 0 BCADMP CC(C)[N@@H+](CCO)CCc1cncn1C ZINC000290118243 188035504 /nfs/dbraw/zinc/03/55/04/188035504.db2.gz TZVGUMAVCTXEJX-UHFFFAOYSA-N 2 1 211.309 0.665 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)Cc1nccn1C ZINC000299541732 188041697 /nfs/dbraw/zinc/04/16/97/188041697.db2.gz UMGUBPSJPWLTQX-UHFFFAOYSA-N 2 1 238.335 0.719 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131790935 188048349 /nfs/dbraw/zinc/04/83/49/188048349.db2.gz ZPKKIYLHSNPHGK-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131790935 188048351 /nfs/dbraw/zinc/04/83/51/188048351.db2.gz ZPKKIYLHSNPHGK-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460147 188050270 /nfs/dbraw/zinc/05/02/70/188050270.db2.gz BNWBCLOOZVWAIW-TUAOUCFPSA-N 2 1 239.363 0.665 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225480627 363205468 /nfs/dbraw/zinc/20/54/68/363205468.db2.gz ZSVVJKNOVIULRY-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225480627 363205473 /nfs/dbraw/zinc/20/54/73/363205473.db2.gz ZSVVJKNOVIULRY-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336221686 188054469 /nfs/dbraw/zinc/05/44/69/188054469.db2.gz CMVNVXOMOZMVFN-LBPRGKRZSA-N 2 1 245.342 0.487 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336221686 188054471 /nfs/dbraw/zinc/05/44/71/188054471.db2.gz CMVNVXOMOZMVFN-LBPRGKRZSA-N 2 1 245.342 0.487 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000343260006 353262534 /nfs/dbraw/zinc/26/25/34/353262534.db2.gz FPQKLAKMUYQXBX-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000343260006 353262536 /nfs/dbraw/zinc/26/25/36/353262536.db2.gz FPQKLAKMUYQXBX-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250396510 353269541 /nfs/dbraw/zinc/26/95/41/353269541.db2.gz YQLQXKUOZMYIID-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000357105922 188239542 /nfs/dbraw/zinc/23/95/42/188239542.db2.gz OSFTYMZQWLLFEA-GFCCVEGCSA-N 2 1 238.335 0.912 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000251728200 353287785 /nfs/dbraw/zinc/28/77/85/353287785.db2.gz CGQGCZVXCRJMTL-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1CN(C)CCN1Cc1nccn1C ZINC000071863858 188258595 /nfs/dbraw/zinc/25/85/95/188258595.db2.gz JVPYCVNCAYVOTN-JTQLQIEISA-N 2 1 208.309 0.556 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368564182 188246937 /nfs/dbraw/zinc/24/69/37/188246937.db2.gz XTZDHZKKBZQCHQ-ZETCQYMHSA-N 2 1 235.278 0.179 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248485914 188258686 /nfs/dbraw/zinc/25/86/86/188258686.db2.gz KYOGTXDEKNMLLG-ZJUUUORDSA-N 2 1 215.341 0.426 20 0 BCADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)COC[C@@H]1CCCO1 ZINC000043324923 188257713 /nfs/dbraw/zinc/25/77/13/188257713.db2.gz GGFQOSLEEPRSOI-OLZOCXBDSA-N 2 1 242.363 0.914 20 0 BCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[NH3+])CC1 ZINC000037826021 188288215 /nfs/dbraw/zinc/28/82/15/188288215.db2.gz SEANFAKFKCGUNM-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843882 353312035 /nfs/dbraw/zinc/31/20/35/353312035.db2.gz DHXIAFBQSVAVHK-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252757476 353304163 /nfs/dbraw/zinc/30/41/63/353304163.db2.gz CAACEFVLEPLWMD-AXFHLTTASA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252757476 353304167 /nfs/dbraw/zinc/30/41/67/353304167.db2.gz CAACEFVLEPLWMD-AXFHLTTASA-N 2 1 228.336 0.997 20 0 BCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846129 353312117 /nfs/dbraw/zinc/31/21/17/353312117.db2.gz FKBXAKMHBWTDCR-GARJFASQSA-N 2 1 225.336 0.134 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639042388 353324229 /nfs/dbraw/zinc/32/42/29/353324229.db2.gz NFZLBKUDNHSJBR-XYPYZODXSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000044538868 188326278 /nfs/dbraw/zinc/32/62/78/188326278.db2.gz DUCWTLAITZXQCO-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049433 353344005 /nfs/dbraw/zinc/34/40/05/353344005.db2.gz RAPFJJKKGAQZBX-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049433 353344008 /nfs/dbraw/zinc/34/40/08/353344008.db2.gz RAPFJJKKGAQZBX-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP CCC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049615 353344025 /nfs/dbraw/zinc/34/40/25/353344025.db2.gz WCDDDVFOMUHJMF-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049615 353344030 /nfs/dbraw/zinc/34/40/30/353344030.db2.gz WCDDDVFOMUHJMF-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343290250 353370163 /nfs/dbraw/zinc/37/01/63/353370163.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343290250 353370165 /nfs/dbraw/zinc/37/01/65/353370165.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343290250 353370167 /nfs/dbraw/zinc/37/01/67/353370167.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 2 1 239.363 0.705 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364055 188343817 /nfs/dbraw/zinc/34/38/17/188343817.db2.gz AZTRFRLKLYITQQ-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309204492 188344201 /nfs/dbraw/zinc/34/42/01/188344201.db2.gz AWMXYPZIGFNNQN-NEPJUHHUSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309204492 188344203 /nfs/dbraw/zinc/34/42/03/188344203.db2.gz AWMXYPZIGFNNQN-NEPJUHHUSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000054133381 188353175 /nfs/dbraw/zinc/35/31/75/188353175.db2.gz FIZQINALALUJSQ-UHFFFAOYSA-N 2 1 201.314 0.180 20 0 BCADMP COCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165657052 353425561 /nfs/dbraw/zinc/42/55/61/353425561.db2.gz UEOAXNMRIIPWIM-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP COCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165657052 353425562 /nfs/dbraw/zinc/42/55/62/353425562.db2.gz UEOAXNMRIIPWIM-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000192098269 353542021 /nfs/dbraw/zinc/54/20/21/353542021.db2.gz UFTBTDXPTRRSOQ-GRYCIOLGSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000193300681 353589990 /nfs/dbraw/zinc/58/99/90/353589990.db2.gz JZAVKZAMWUQQRZ-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627096888 363257211 /nfs/dbraw/zinc/25/72/11/363257211.db2.gz FOCFDDOHPOSSAH-KXUCPTDWSA-N 2 1 228.340 0.116 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000308980298 353774156 /nfs/dbraw/zinc/77/41/56/353774156.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 1 218.341 0.266 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000308980298 353774159 /nfs/dbraw/zinc/77/41/59/353774159.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 1 218.341 0.266 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343355862 353859690 /nfs/dbraw/zinc/85/96/90/353859690.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343355862 353859695 /nfs/dbraw/zinc/85/96/95/353859695.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343355862 353859697 /nfs/dbraw/zinc/85/96/97/353859697.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CO[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1C ZINC000230312145 363304228 /nfs/dbraw/zinc/30/42/28/363304228.db2.gz CQEFDPHIXYKQNH-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000343980349 354057395 /nfs/dbraw/zinc/05/73/95/354057395.db2.gz IVJJKYNOEMTROD-CYBMUJFWSA-N 2 1 242.363 0.866 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449682117 202003066 /nfs/dbraw/zinc/00/30/66/202003066.db2.gz KUMJFHNIGZVOAF-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449707585 202006822 /nfs/dbraw/zinc/00/68/22/202006822.db2.gz RTMWQSHGIZWVDL-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334589150 354216937 /nfs/dbraw/zinc/21/69/37/354216937.db2.gz KUMPNPOEGQFGDD-CYBMUJFWSA-N 2 1 237.347 0.294 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334589150 354216940 /nfs/dbraw/zinc/21/69/40/354216940.db2.gz KUMPNPOEGQFGDD-CYBMUJFWSA-N 2 1 237.347 0.294 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000344395222 354259613 /nfs/dbraw/zinc/25/96/13/354259613.db2.gz ZHZKBHUWSFTBRO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000344395222 354259616 /nfs/dbraw/zinc/25/96/16/354259616.db2.gz ZHZKBHUWSFTBRO-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000167532720 134004467 /nfs/dbraw/zinc/00/44/67/134004467.db2.gz AOQZKPSHHJVBRD-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP COCCC[N@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000344776251 354362532 /nfs/dbraw/zinc/36/25/32/354362532.db2.gz PCOYHUPVILDMMC-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000344776251 354362534 /nfs/dbraw/zinc/36/25/34/354362534.db2.gz PCOYHUPVILDMMC-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000344776251 354362536 /nfs/dbraw/zinc/36/25/36/354362536.db2.gz PCOYHUPVILDMMC-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344776251 354362539 /nfs/dbraw/zinc/36/25/39/354362539.db2.gz PCOYHUPVILDMMC-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000383636695 354605053 /nfs/dbraw/zinc/60/50/53/354605053.db2.gz YJTCOCCZPDYJLH-AGIUHOORSA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000383636695 354605055 /nfs/dbraw/zinc/60/50/55/354605055.db2.gz YJTCOCCZPDYJLH-AGIUHOORSA-N 2 1 242.363 0.456 20 0 BCADMP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCC[NH2+]CC1 ZINC000335107011 354692377 /nfs/dbraw/zinc/69/23/77/354692377.db2.gz FZQQHPMFHXNTRH-VIFPVBQESA-N 2 1 247.289 0.053 20 0 BCADMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000335110104 354696286 /nfs/dbraw/zinc/69/62/86/354696286.db2.gz DLYQDAVREVMRBW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000335110104 354696289 /nfs/dbraw/zinc/69/62/89/354696289.db2.gz DLYQDAVREVMRBW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NCC[NH+](C)C)CCC[N@H+]1C ZINC000345732454 354746597 /nfs/dbraw/zinc/74/65/97/354746597.db2.gz AYUVPQWPJZYDKX-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141776 354870957 /nfs/dbraw/zinc/87/09/57/354870957.db2.gz RJYATBBAACWZIA-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)C ZINC000234754435 363428527 /nfs/dbraw/zinc/42/85/27/363428527.db2.gz SCHBMWAQCNVDSL-MNOVXSKESA-N 2 1 200.326 0.999 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC000346550847 354984884 /nfs/dbraw/zinc/98/48/84/354984884.db2.gz RTFBIKUQDWPLLJ-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000346550847 354984888 /nfs/dbraw/zinc/98/48/88/354984888.db2.gz RTFBIKUQDWPLLJ-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000346550847 354984889 /nfs/dbraw/zinc/98/48/89/354984889.db2.gz RTFBIKUQDWPLLJ-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000335202478 355037057 /nfs/dbraw/zinc/03/70/57/355037057.db2.gz CDUYJOLSLDYGJI-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000335202478 355037059 /nfs/dbraw/zinc/03/70/59/355037059.db2.gz CDUYJOLSLDYGJI-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000335202478 355037060 /nfs/dbraw/zinc/03/70/60/355037060.db2.gz CDUYJOLSLDYGJI-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000335202478 355037062 /nfs/dbraw/zinc/03/70/62/355037062.db2.gz CDUYJOLSLDYGJI-RYUDHWBXSA-N 2 1 241.379 0.878 20 0 BCADMP c1ncn([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825725 355126709 /nfs/dbraw/zinc/12/67/09/355126709.db2.gz LKDQNMDYZUSJGR-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346848356 355136523 /nfs/dbraw/zinc/13/65/23/355136523.db2.gz QEKDCJGSPKVHKE-GHMZBOCLSA-N 2 1 229.368 0.111 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346850246 355138203 /nfs/dbraw/zinc/13/82/03/355138203.db2.gz PUJYHNBPWYFGTG-RYUDHWBXSA-N 2 1 239.363 0.716 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000113514132 355250316 /nfs/dbraw/zinc/25/03/16/355250316.db2.gz KMTINPNXFDIXKJ-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000113514132 355250318 /nfs/dbraw/zinc/25/03/18/355250318.db2.gz KMTINPNXFDIXKJ-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000639253098 355287862 /nfs/dbraw/zinc/28/78/62/355287862.db2.gz KVZCMLZVOCEGQW-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000639253098 355287868 /nfs/dbraw/zinc/28/78/68/355287868.db2.gz KVZCMLZVOCEGQW-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414669472 191544017 /nfs/dbraw/zinc/54/40/17/191544017.db2.gz BKRFUSNCIMTXQO-QJPTWQEYSA-N 2 1 240.347 0.869 20 0 BCADMP COCC[NH+]1CCC([NH2+]C2CC(OC)C2)CC1 ZINC000349698045 355413283 /nfs/dbraw/zinc/41/32/83/355413283.db2.gz XXIVXVJEUGURPO-UHFFFAOYSA-N 2 1 242.363 0.864 20 0 BCADMP NC(=[NH2+])NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356051198 181191551 /nfs/dbraw/zinc/19/15/51/181191551.db2.gz KCOGINFUVUYWJK-CYBMUJFWSA-N 2 1 248.330 0.106 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761589 191563005 /nfs/dbraw/zinc/56/30/05/191563005.db2.gz JNRLDTYUOGSXOG-WOPDTQHZSA-N 2 1 230.327 0.781 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335820994 355539379 /nfs/dbraw/zinc/53/93/79/355539379.db2.gz HNRNNKKJZFBCPB-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000415090600 191675979 /nfs/dbraw/zinc/67/59/79/191675979.db2.gz YDYABSAEDJTFDP-NSHDSACASA-N 2 1 230.315 0.988 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH3+])C[C@@H]1C ZINC000335840527 355584218 /nfs/dbraw/zinc/58/42/18/355584218.db2.gz NOUYRNHHXIAQIU-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984340 355569882 /nfs/dbraw/zinc/56/98/82/355569882.db2.gz DCOUWQNABKRDJC-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000166596082 355709812 /nfs/dbraw/zinc/70/98/12/355709812.db2.gz RTXGJCXKPJZTNO-NWDGAFQWSA-N 2 1 232.368 0.968 20 0 BCADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000639329212 355742185 /nfs/dbraw/zinc/74/21/85/355742185.db2.gz VSYMSKNIDSWPMF-MXWKQRLJSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000639329212 355742188 /nfs/dbraw/zinc/74/21/88/355742188.db2.gz VSYMSKNIDSWPMF-MXWKQRLJSA-N 2 1 212.337 0.972 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000383975407 355840287 /nfs/dbraw/zinc/84/02/87/355840287.db2.gz KZSXQFQRHJYZBJ-RYUDHWBXSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000383975407 355840290 /nfs/dbraw/zinc/84/02/90/355840290.db2.gz KZSXQFQRHJYZBJ-RYUDHWBXSA-N 2 1 244.379 0.704 20 0 BCADMP CCC[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000628369630 355875721 /nfs/dbraw/zinc/87/57/21/355875721.db2.gz NHVPVVBVFQNNQM-UHFFFAOYSA-N 2 1 230.352 0.147 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520421916 355920437 /nfs/dbraw/zinc/92/04/37/355920437.db2.gz OLZJNMCJSYPWPM-RKDXNWHRSA-N 2 1 249.305 0.604 20 0 BCADMP C[C@H]1OCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309065387 355990333 /nfs/dbraw/zinc/99/03/33/355990333.db2.gz YZSLUHBCCMNKLX-MWLCHTKSSA-N 2 1 209.293 0.730 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417818950 191930930 /nfs/dbraw/zinc/93/09/30/191930930.db2.gz SURCBQOUXAMJRQ-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417809663 191932677 /nfs/dbraw/zinc/93/26/77/191932677.db2.gz HDSPTRWATWHNGW-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000167200080 355969400 /nfs/dbraw/zinc/96/94/00/355969400.db2.gz VAPZJBPQGBBNLQ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CCN(C[C@@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352115430 134071519 /nfs/dbraw/zinc/07/15/19/134071519.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C[C@@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352115430 134071520 /nfs/dbraw/zinc/07/15/20/134071520.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C[C@@H](C)O)C[C@H](O)C[NH+](C)C1CC1 ZINC000352115430 134071521 /nfs/dbraw/zinc/07/15/21/134071521.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@@H](C)O)C[C@H](O)C[NH+](C)C1CC1 ZINC000352115430 134071522 /nfs/dbraw/zinc/07/15/22/134071522.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352115430 134071523 /nfs/dbraw/zinc/07/15/23/134071523.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352115430 134071524 /nfs/dbraw/zinc/07/15/24/134071524.db2.gz LDZJDWXIBZIVEJ-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860643 356098631 /nfs/dbraw/zinc/09/86/31/356098631.db2.gz HBBCDBIODCHELA-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860643 356098633 /nfs/dbraw/zinc/09/86/33/356098633.db2.gz HBBCDBIODCHELA-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000351867447 356102458 /nfs/dbraw/zinc/10/24/58/356102458.db2.gz YFJQZJHPBLVAFO-DRZSPHRISA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000351867447 356102464 /nfs/dbraw/zinc/10/24/64/356102464.db2.gz YFJQZJHPBLVAFO-DRZSPHRISA-N 2 1 247.342 0.882 20 0 BCADMP C[NH2+]CCCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418277330 192011682 /nfs/dbraw/zinc/01/16/82/192011682.db2.gz IDJPQQVVUYGHIS-PHIMTYICSA-N 2 1 242.367 0.330 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336101596 134083484 /nfs/dbraw/zinc/08/34/84/134083484.db2.gz DPGHIFVBAPUIFS-RYUDHWBXSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336101596 134083485 /nfs/dbraw/zinc/08/34/85/134083485.db2.gz DPGHIFVBAPUIFS-RYUDHWBXSA-N 2 1 237.347 0.293 20 0 BCADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)C[NH3+])n1 ZINC000420218667 192194190 /nfs/dbraw/zinc/19/41/90/192194190.db2.gz PSRBDWGTLLWFHU-SECBINFHSA-N 2 1 246.318 0.977 20 0 BCADMP C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)[C@H](C)[NH3+] ZINC000420257074 192189100 /nfs/dbraw/zinc/18/91/00/192189100.db2.gz DJBOYVNTNPFLCO-XHNCKOQMSA-N 2 1 239.323 0.417 20 0 BCADMP Cn1cncc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457224 356242208 /nfs/dbraw/zinc/24/22/08/356242208.db2.gz QSEGXHYFPOAKBG-PHIMTYICSA-N 2 1 220.320 0.114 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000420291762 192203649 /nfs/dbraw/zinc/20/36/49/192203649.db2.gz KSHDKLOXCAWDTR-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000420291762 192203652 /nfs/dbraw/zinc/20/36/52/192203652.db2.gz KSHDKLOXCAWDTR-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP NC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420293222 192204027 /nfs/dbraw/zinc/20/40/27/192204027.db2.gz MVNDYNRSTGLXBZ-NWDGAFQWSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420293222 192204029 /nfs/dbraw/zinc/20/40/29/192204029.db2.gz MVNDYNRSTGLXBZ-NWDGAFQWSA-N 2 1 211.353 0.799 20 0 BCADMP Cn1cncc1CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000639498052 356326422 /nfs/dbraw/zinc/32/64/22/356326422.db2.gz WIQJRJDLKJPBAG-NSHDSACASA-N 2 1 236.319 0.125 20 0 BCADMP CN(CCc1cncn1C)[C@H]1CCN(C)C1=O ZINC000639498052 356326425 /nfs/dbraw/zinc/32/64/25/356326425.db2.gz WIQJRJDLKJPBAG-NSHDSACASA-N 2 1 236.319 0.125 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420296239 192205796 /nfs/dbraw/zinc/20/57/96/192205796.db2.gz WWFOSMXLUJWVLR-QWRGUYRKSA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420296240 192205919 /nfs/dbraw/zinc/20/59/19/192205919.db2.gz WWFOSMXLUJWVLR-WDEREUQCSA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420318922 192196012 /nfs/dbraw/zinc/19/60/12/192196012.db2.gz QQZNVNMINDIRLY-CMPLNLGQSA-N 2 1 240.347 0.869 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420282978 192200434 /nfs/dbraw/zinc/20/04/34/192200434.db2.gz BNGNCYNVWZYLSD-UHFFFAOYSA-N 2 1 229.368 0.772 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420291932 192202747 /nfs/dbraw/zinc/20/27/47/192202747.db2.gz OPFFSRDJMUQDAM-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295270 192203298 /nfs/dbraw/zinc/20/32/98/192203298.db2.gz CCGJIAPFDYQIIW-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337362 192214675 /nfs/dbraw/zinc/21/46/75/192214675.db2.gz WUAOEDCKQNFIIO-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000420332797 192214992 /nfs/dbraw/zinc/21/49/92/192214992.db2.gz BZAXWAKKLXTNRQ-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000420332797 192214995 /nfs/dbraw/zinc/21/49/95/192214995.db2.gz BZAXWAKKLXTNRQ-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349931 192217423 /nfs/dbraw/zinc/21/74/23/192217423.db2.gz FFPDKMWUGIEWDC-UPJWGTAASA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349931 192217426 /nfs/dbraw/zinc/21/74/26/192217426.db2.gz FFPDKMWUGIEWDC-UPJWGTAASA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000420352695 192218168 /nfs/dbraw/zinc/21/81/68/192218168.db2.gz ASRPYOLJUSKZRU-NSHDSACASA-N 2 1 216.325 0.319 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420309694 192211091 /nfs/dbraw/zinc/21/10/91/192211091.db2.gz FBOOAVCIVIXEDD-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420311169 192211724 /nfs/dbraw/zinc/21/17/24/192211724.db2.gz GYSGYLZOWXPNRR-GHMZBOCLSA-N 2 1 226.320 0.481 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368280 192225718 /nfs/dbraw/zinc/22/57/18/192225718.db2.gz HYFUISVWYGQKOI-XQQFMLRXSA-N 2 1 242.363 0.722 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420323485 192227198 /nfs/dbraw/zinc/22/71/98/192227198.db2.gz YCQAIGCKQZFFID-RYUDHWBXSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420323485 192227200 /nfs/dbraw/zinc/22/72/00/192227200.db2.gz YCQAIGCKQZFFID-RYUDHWBXSA-N 2 1 240.347 0.869 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000336471196 356376866 /nfs/dbraw/zinc/37/68/66/356376866.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000336471196 356376869 /nfs/dbraw/zinc/37/68/69/356376869.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000336471196 356376874 /nfs/dbraw/zinc/37/68/74/356376874.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCO[C@@H](C)C1 ZINC000420326442 192229059 /nfs/dbraw/zinc/22/90/59/192229059.db2.gz XKYXBXIMSIQSNI-STQMWFEESA-N 2 1 243.395 0.670 20 0 BCADMP C[C@H]1C[N@H+](CCN(C)C2(C[NH3+])CCC2)CCO1 ZINC000420327140 192229480 /nfs/dbraw/zinc/22/94/80/192229480.db2.gz KRBXPEBNGDKUEX-LBPRGKRZSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@H]1C[N@@H+](CCN(C)C2(C[NH3+])CCC2)CCO1 ZINC000420327140 192229487 /nfs/dbraw/zinc/22/94/87/192229487.db2.gz KRBXPEBNGDKUEX-LBPRGKRZSA-N 2 1 241.379 0.520 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328445 192230150 /nfs/dbraw/zinc/23/01/50/192230150.db2.gz MNHRDHZHCVZLLC-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)C2(C[NH3+])CCC2)CCO1 ZINC000420327138 192230307 /nfs/dbraw/zinc/23/03/07/192230307.db2.gz KRBXPEBNGDKUEX-GFCCVEGCSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@@H]1C[N@@H+](CCN(C)C2(C[NH3+])CCC2)CCO1 ZINC000420327138 192230309 /nfs/dbraw/zinc/23/03/09/192230309.db2.gz KRBXPEBNGDKUEX-GFCCVEGCSA-N 2 1 241.379 0.520 20 0 BCADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360743 192221932 /nfs/dbraw/zinc/22/19/32/192221932.db2.gz MCVGGNLAFJMUNF-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000420362030 192222083 /nfs/dbraw/zinc/22/20/83/192222083.db2.gz NWWZNNOAFQFQTQ-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP CCOC(=O)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000420362030 192222084 /nfs/dbraw/zinc/22/20/84/192222084.db2.gz NWWZNNOAFQFQTQ-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP COC(=O)CC[N@@H+](CC(C)C)C[C@@H](C)[NH3+] ZINC000420361903 192223062 /nfs/dbraw/zinc/22/30/62/192223062.db2.gz NSNKBLJOLWPYKY-SNVBAGLBSA-N 2 1 216.325 0.855 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000420363876 192223364 /nfs/dbraw/zinc/22/33/64/192223364.db2.gz PXXXLVSECNETEN-SNVBAGLBSA-N 2 1 214.309 0.481 20 0 BCADMP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420363674 192223387 /nfs/dbraw/zinc/22/33/87/192223387.db2.gz PTPUQRDOOWBGRS-DTWKUNHWSA-N 2 1 200.282 0.361 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000420363674 192223390 /nfs/dbraw/zinc/22/33/90/192223390.db2.gz PTPUQRDOOWBGRS-DTWKUNHWSA-N 2 1 200.282 0.361 20 0 BCADMP CCOC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420366108 192224126 /nfs/dbraw/zinc/22/41/26/192224126.db2.gz QXOGXPAYQOYDGQ-VIFPVBQESA-N 2 1 216.325 0.903 20 0 BCADMP CC(C)(C)[C@@H](CN)[NH2+]CC(=O)NCC1CCC1 ZINC000420364591 192224335 /nfs/dbraw/zinc/22/43/35/192224335.db2.gz PHLCQSIPBITPKB-LLVKDONJSA-N 2 1 241.379 0.866 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000420363875 192224780 /nfs/dbraw/zinc/22/47/80/192224780.db2.gz PXXXLVSECNETEN-JTQLQIEISA-N 2 1 214.309 0.481 20 0 BCADMP COC(=O)CCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420368109 192225350 /nfs/dbraw/zinc/22/53/50/192225350.db2.gz TZSSSWYERZLQEA-VIFPVBQESA-N 2 1 216.325 0.903 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367577 192225486 /nfs/dbraw/zinc/22/54/86/192225486.db2.gz HBYVDNZZBWSKJT-GFCCVEGCSA-N 2 1 241.379 0.690 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368277 192225670 /nfs/dbraw/zinc/22/56/70/192225670.db2.gz HYFUISVWYGQKOI-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP C[NH2+]CCCN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420395877 192237654 /nfs/dbraw/zinc/23/76/54/192237654.db2.gz UTFYLYHWDFNBFK-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]CCCN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420395877 192237656 /nfs/dbraw/zinc/23/76/56/192237656.db2.gz UTFYLYHWDFNBFK-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420395877 192237658 /nfs/dbraw/zinc/23/76/58/192237658.db2.gz UTFYLYHWDFNBFK-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420395877 192237659 /nfs/dbraw/zinc/23/76/59/192237659.db2.gz UTFYLYHWDFNBFK-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420419823 192240368 /nfs/dbraw/zinc/24/03/68/192240368.db2.gz XUOIFFHXSALCEW-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420419824 192240861 /nfs/dbraw/zinc/24/08/61/192240861.db2.gz XUOIFFHXSALCEW-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415821 192241267 /nfs/dbraw/zinc/24/12/67/192241267.db2.gz VIKCKHBHBULERH-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000580351856 356429851 /nfs/dbraw/zinc/42/98/51/356429851.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000580351856 356429853 /nfs/dbraw/zinc/42/98/53/356429853.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000580351856 356429857 /nfs/dbraw/zinc/42/98/57/356429857.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000580351856 356429865 /nfs/dbraw/zinc/42/98/65/356429865.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP COC[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375752 192231256 /nfs/dbraw/zinc/23/12/56/192231256.db2.gz UHVQUGJXPKCMMZ-LMLFDSFASA-N 2 1 200.326 0.997 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000420375179 192232257 /nfs/dbraw/zinc/23/22/57/192232257.db2.gz SUFLJFVTGDDRDM-JFGNBEQYSA-N 2 1 227.352 0.441 20 0 BCADMP CCN1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000420380868 192233115 /nfs/dbraw/zinc/23/31/15/192233115.db2.gz WYBMOSYAYHHDQW-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000019410483 356483198 /nfs/dbraw/zinc/48/31/98/356483198.db2.gz SQBABFGMOLMWST-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968347 192284392 /nfs/dbraw/zinc/28/43/92/192284392.db2.gz BPKSLYAABSPQJI-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H](N[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780777 202035812 /nfs/dbraw/zinc/03/58/12/202035812.db2.gz VOZHCVBSFJVVSS-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780777 202035816 /nfs/dbraw/zinc/03/58/16/202035816.db2.gz VOZHCVBSFJVVSS-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[C@@](C)([NH2+]CCc1c[nH+]cn1C)C(N)=O ZINC000639643440 356556569 /nfs/dbraw/zinc/55/65/69/356556569.db2.gz IELDZQIFVQJSGV-GFCCVEGCSA-N 2 1 238.335 0.452 20 0 BCADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422982682 192517088 /nfs/dbraw/zinc/51/70/88/192517088.db2.gz XOAKQLNBINAYNU-UTUOFQBUSA-N 2 1 214.353 0.981 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000630092576 363516051 /nfs/dbraw/zinc/51/60/51/363516051.db2.gz RESAUSDFTISCKN-DGCLKSJQSA-N 2 1 248.330 0.531 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000346651468 134153153 /nfs/dbraw/zinc/15/31/53/134153153.db2.gz SNWOXYOXYNIUJT-MNOVXSKESA-N 2 1 241.379 0.688 20 0 BCADMP C([C@H]1CCCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287488 356654451 /nfs/dbraw/zinc/65/44/51/356654451.db2.gz KMTXAAMTLRHZFX-GRYCIOLGSA-N 2 1 210.321 0.707 20 0 BCADMP CC[C@@H](C[N@H+]1CCC[C@@](O)(CN(C)C)C1)OC ZINC000639760863 356675827 /nfs/dbraw/zinc/67/58/27/356675827.db2.gz BWKPDESOHXDBRN-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OC ZINC000639760863 356675833 /nfs/dbraw/zinc/67/58/33/356675833.db2.gz BWKPDESOHXDBRN-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761862 356679138 /nfs/dbraw/zinc/67/91/38/356679138.db2.gz FMTAQFZVIKYROW-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248204 356679463 /nfs/dbraw/zinc/67/94/63/356679463.db2.gz OYOJCKPYTWWGAL-MNOVXSKESA-N 2 1 240.351 0.117 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000167940784 134154835 /nfs/dbraw/zinc/15/48/35/134154835.db2.gz AWEPAZWFEKZQGU-UHFFFAOYSA-N 2 1 233.315 0.832 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335624 356721978 /nfs/dbraw/zinc/72/19/78/356721978.db2.gz WCSXWLPRYVEPJA-NXEZZACHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCO)CC1(C)C ZINC000623336484 356724014 /nfs/dbraw/zinc/72/40/14/356724014.db2.gz QPKOOBBDMPMRKA-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)O ZINC000578186550 366369192 /nfs/dbraw/zinc/36/91/92/366369192.db2.gz YASLWDIDZOUMPR-QWRGUYRKSA-N 2 1 218.341 0.314 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000357245507 356820680 /nfs/dbraw/zinc/82/06/80/356820680.db2.gz VDFVQQYQTLQBDF-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC[NH+](CCO)[C@@H](C)CC[N@@H+](CC)CCO ZINC000155753164 538730614 /nfs/dbraw/zinc/73/06/14/538730614.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CCO)CC[C@H](C)[N@H+](CC)CCO ZINC000155753164 538730620 /nfs/dbraw/zinc/73/06/20/538730620.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CCO)CC[C@H](C)[N@@H+](CC)CCO ZINC000155753164 538730624 /nfs/dbraw/zinc/73/06/24/538730624.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848636 356846735 /nfs/dbraw/zinc/84/67/35/356846735.db2.gz HXYCFJWOMAXDMF-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848636 356846738 /nfs/dbraw/zinc/84/67/38/356846738.db2.gz HXYCFJWOMAXDMF-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362361672 356944351 /nfs/dbraw/zinc/94/43/51/356944351.db2.gz ZGOVKOJUUZYEJA-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362361672 356944353 /nfs/dbraw/zinc/94/43/53/356944353.db2.gz ZGOVKOJUUZYEJA-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362361672 356944354 /nfs/dbraw/zinc/94/43/54/356944354.db2.gz ZGOVKOJUUZYEJA-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@]1(CO)CCOC1 ZINC000359579249 356890877 /nfs/dbraw/zinc/89/08/77/356890877.db2.gz JMJMUZRRARTJCX-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@]1(CO)CCOC1 ZINC000359579249 356890881 /nfs/dbraw/zinc/89/08/81/356890881.db2.gz JMJMUZRRARTJCX-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@]1(CO)CCOC1 ZINC000359579249 356890885 /nfs/dbraw/zinc/89/08/85/356890885.db2.gz JMJMUZRRARTJCX-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@]1(CO)CCOC1 ZINC000359579249 356890890 /nfs/dbraw/zinc/89/08/90/356890890.db2.gz JMJMUZRRARTJCX-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@]1(CO)CCOC1 ZINC000359579251 356891148 /nfs/dbraw/zinc/89/11/48/356891148.db2.gz JMJMUZRRARTJCX-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@]1(CO)CCOC1 ZINC000359579251 356891152 /nfs/dbraw/zinc/89/11/52/356891152.db2.gz JMJMUZRRARTJCX-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@]1(CO)CCOC1 ZINC000359579251 356891156 /nfs/dbraw/zinc/89/11/56/356891156.db2.gz JMJMUZRRARTJCX-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@]1(CO)CCOC1 ZINC000359579251 356891159 /nfs/dbraw/zinc/89/11/59/356891159.db2.gz JMJMUZRRARTJCX-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000130701225 325081291 /nfs/dbraw/zinc/08/12/91/325081291.db2.gz DANMYNRTBPDZLK-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@H]1CO ZINC000639871940 357040119 /nfs/dbraw/zinc/04/01/19/357040119.db2.gz MHEDWEKRFZDYTC-STQMWFEESA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)C[C@H]1CO ZINC000639871940 357040122 /nfs/dbraw/zinc/04/01/22/357040122.db2.gz MHEDWEKRFZDYTC-STQMWFEESA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)C[C@H]1CO ZINC000639871940 357040127 /nfs/dbraw/zinc/04/01/27/357040127.db2.gz MHEDWEKRFZDYTC-STQMWFEESA-N 2 1 241.379 0.079 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390679239 357114012 /nfs/dbraw/zinc/11/40/12/357114012.db2.gz WREYLYKUGVLJQU-NHCYSSNCSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390679239 357114013 /nfs/dbraw/zinc/11/40/13/357114013.db2.gz WREYLYKUGVLJQU-NHCYSSNCSA-N 2 1 230.352 0.191 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000390466639 357094455 /nfs/dbraw/zinc/09/44/55/357094455.db2.gz ARPGMTXMMHDTIW-PWSUYJOCSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000390466639 357094458 /nfs/dbraw/zinc/09/44/58/357094458.db2.gz ARPGMTXMMHDTIW-PWSUYJOCSA-N 2 1 244.404 0.927 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000392360974 357147729 /nfs/dbraw/zinc/14/77/29/357147729.db2.gz BGKPTGSJJONGGJ-UWVGGRQHSA-N 2 1 223.324 0.515 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423244858 192648980 /nfs/dbraw/zinc/64/89/80/192648980.db2.gz XWMOPMZQAUYLGW-IJLUTSLNSA-N 2 1 223.364 0.953 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000393772062 357298543 /nfs/dbraw/zinc/29/85/43/357298543.db2.gz HRTGSVXWGRAGGA-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000393772062 357298545 /nfs/dbraw/zinc/29/85/45/357298545.db2.gz HRTGSVXWGRAGGA-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000393772062 357298546 /nfs/dbraw/zinc/29/85/46/357298546.db2.gz HRTGSVXWGRAGGA-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000393772062 357298547 /nfs/dbraw/zinc/29/85/47/357298547.db2.gz HRTGSVXWGRAGGA-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392840030 357245457 /nfs/dbraw/zinc/24/54/57/357245457.db2.gz RCLGNWFXNFAMLW-LBPRGKRZSA-N 2 1 237.347 0.507 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392857764 357253943 /nfs/dbraw/zinc/25/39/43/357253943.db2.gz MNOYPDXYXOHCGB-NSHDSACASA-N 2 1 225.336 0.348 20 0 BCADMP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000394071854 357322742 /nfs/dbraw/zinc/32/27/42/357322742.db2.gz KPMGSGJUSBEMPN-WCQYABFASA-N 2 1 244.379 0.296 20 0 BCADMP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000394071854 357322745 /nfs/dbraw/zinc/32/27/45/357322745.db2.gz KPMGSGJUSBEMPN-WCQYABFASA-N 2 1 244.379 0.296 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050250057 357403836 /nfs/dbraw/zinc/40/38/36/357403836.db2.gz CAEMPCDKLQAGPT-VIFPVBQESA-N 2 1 200.282 0.220 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)C1C[NH2+]C1 ZINC000582844739 357414946 /nfs/dbraw/zinc/41/49/46/357414946.db2.gz KMNRGGKPMOLZDP-JOYOIKCWSA-N 2 1 243.326 0.002 20 0 BCADMP COC1(C[NH2+]CCC[NH+]2CCC2)CCOCC1 ZINC000583153310 357496833 /nfs/dbraw/zinc/49/68/33/357496833.db2.gz LEYVGMJYOBEDOQ-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000396746358 357482174 /nfs/dbraw/zinc/48/21/74/357482174.db2.gz ZAOYOOWRINSUMZ-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771985 491112616 /nfs/dbraw/zinc/11/26/16/491112616.db2.gz BQMXINTYXCUQRB-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[NH+](C)CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000545284750 325207168 /nfs/dbraw/zinc/20/71/68/325207168.db2.gz ZNIZMAZZVMJDSZ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709620 357647645 /nfs/dbraw/zinc/64/76/45/357647645.db2.gz BTIBEWUQCNQDFT-SCVCMEIPSA-N 2 1 244.404 0.925 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232624242 357669840 /nfs/dbraw/zinc/66/98/40/357669840.db2.gz YFNSSFJYKBSOEH-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H](CCO)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000397768984 357683071 /nfs/dbraw/zinc/68/30/71/357683071.db2.gz KJWBHORGWAMXBX-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CCO)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397768984 357683073 /nfs/dbraw/zinc/68/30/73/357683073.db2.gz KJWBHORGWAMXBX-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H](CO)COC)CC1 ZINC000233035056 357691562 /nfs/dbraw/zinc/69/15/62/357691562.db2.gz UXXHIOKJZIEJKU-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521952 491115304 /nfs/dbraw/zinc/11/53/04/491115304.db2.gz XXYPPZIWJBHLGY-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP [NH3+][C@@H](C(=O)NCC[N@@H+]1CC=CCC1)C1CCC1 ZINC000399052731 357894820 /nfs/dbraw/zinc/89/48/20/357894820.db2.gz WCTWMRMGGUWTJN-GFCCVEGCSA-N 2 1 237.347 0.492 20 0 BCADMP CC[C@H](O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398469036 357886609 /nfs/dbraw/zinc/88/66/09/357886609.db2.gz DLGYQUNWVLEZID-STQMWFEESA-N 2 1 244.379 0.582 20 0 BCADMP CC[C@H](O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398469036 357886615 /nfs/dbraw/zinc/88/66/15/357886615.db2.gz DLGYQUNWVLEZID-STQMWFEESA-N 2 1 244.379 0.582 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398953653 357891524 /nfs/dbraw/zinc/89/15/24/357891524.db2.gz AMXOABIZZOZHGE-LLVKDONJSA-N 2 1 236.319 0.435 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399422683 357906580 /nfs/dbraw/zinc/90/65/80/357906580.db2.gz VQBLOMQNDIKBLT-MCIGGMRASA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399422683 357906582 /nfs/dbraw/zinc/90/65/82/357906582.db2.gz VQBLOMQNDIKBLT-MCIGGMRASA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000584403365 357910403 /nfs/dbraw/zinc/91/04/03/357910403.db2.gz ZAXAJXUSGDRNGC-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000584403365 357910406 /nfs/dbraw/zinc/91/04/06/357910406.db2.gz ZAXAJXUSGDRNGC-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP COC[C@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000639958099 357981751 /nfs/dbraw/zinc/98/17/51/357981751.db2.gz PEIHVBWVNWBONO-LBPRGKRZSA-N 2 1 241.335 0.340 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000584474991 357991191 /nfs/dbraw/zinc/99/11/91/357991191.db2.gz PRKGYIYDSLUGPG-MNOVXSKESA-N 2 1 246.376 0.168 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH2+]C)C1CC1 ZINC000219907216 358010933 /nfs/dbraw/zinc/01/09/33/358010933.db2.gz SLESAXKRLIISID-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219832719 358013906 /nfs/dbraw/zinc/01/39/06/358013906.db2.gz PSZPALVKEDMEFM-AAEUAGOBSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110563 134249535 /nfs/dbraw/zinc/24/95/35/134249535.db2.gz QBTROBOTBZDKHQ-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP Cn1cc([C@H](CO)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000584665235 358126028 /nfs/dbraw/zinc/12/60/28/358126028.db2.gz FNQWTJSUMOPRIA-TUAOUCFPSA-N 2 1 238.335 0.313 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000584721033 358162262 /nfs/dbraw/zinc/16/22/62/358162262.db2.gz ZYPKQFCHELWXRQ-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000584721033 358162265 /nfs/dbraw/zinc/16/22/65/358162265.db2.gz ZYPKQFCHELWXRQ-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000040624356 358244054 /nfs/dbraw/zinc/24/40/54/358244054.db2.gz LGTDYAXNNGUPSE-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624493 358244242 /nfs/dbraw/zinc/24/42/42/358244242.db2.gz OGZXGRVPMIYRHT-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624390 358244467 /nfs/dbraw/zinc/24/44/67/358244467.db2.gz RGDTWKDEEXGVPT-SNVBAGLBSA-N 2 1 213.325 0.052 20 0 BCADMP C[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000227089551 358349143 /nfs/dbraw/zinc/34/91/43/358349143.db2.gz ZUFMTYMJDUGYAX-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@@H]([NH3+])C1 ZINC000227089501 358349385 /nfs/dbraw/zinc/34/93/85/358349385.db2.gz UATBYGFJDWXRRU-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538755 358389297 /nfs/dbraw/zinc/38/92/97/358389297.db2.gz BHEGQTSVIRLPLG-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529183 358389324 /nfs/dbraw/zinc/38/93/24/358389324.db2.gz PJIUSSNGGIDHTG-JTQLQIEISA-N 2 1 214.309 0.610 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044752357 358393024 /nfs/dbraw/zinc/39/30/24/358393024.db2.gz PRLICXQLUJAGHF-SNVBAGLBSA-N 2 1 227.352 0.429 20 0 BCADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683922 358551172 /nfs/dbraw/zinc/55/11/72/358551172.db2.gz UFTRTGALTASFIG-LBPRGKRZSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683922 358551174 /nfs/dbraw/zinc/55/11/74/358551174.db2.gz UFTRTGALTASFIG-LBPRGKRZSA-N 2 1 223.364 0.907 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000044793624 358553816 /nfs/dbraw/zinc/55/38/16/358553816.db2.gz LPNOPWKHZMBFAU-NSHDSACASA-N 2 1 227.352 0.381 20 0 BCADMP CNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971409 358608118 /nfs/dbraw/zinc/60/81/18/358608118.db2.gz JDFCDANSJJULSL-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129739462 358594933 /nfs/dbraw/zinc/59/49/33/358594933.db2.gz PYXVEKKEEIQLNR-VWYCJHECSA-N 2 1 227.352 0.583 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000129739462 358594936 /nfs/dbraw/zinc/59/49/36/358594936.db2.gz PYXVEKKEEIQLNR-VWYCJHECSA-N 2 1 227.352 0.583 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167785336 535432293 /nfs/dbraw/zinc/43/22/93/535432293.db2.gz YLNOVGLHTSDZBV-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167785336 535432297 /nfs/dbraw/zinc/43/22/97/535432297.db2.gz YLNOVGLHTSDZBV-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)CC[N@H+]1C ZINC000133880385 358771164 /nfs/dbraw/zinc/77/11/64/358771164.db2.gz NEOKTHDAJRDEDM-GRYCIOLGSA-N 2 1 228.336 0.474 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177033579 134293654 /nfs/dbraw/zinc/29/36/54/134293654.db2.gz XRQJSPVWVNZYLG-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP COC1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000134883265 358809852 /nfs/dbraw/zinc/80/98/52/358809852.db2.gz CFMADZUSGCRPJP-CXQJBGSLSA-N 2 1 230.352 0.456 20 0 BCADMP COC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061463 134297111 /nfs/dbraw/zinc/29/71/11/134297111.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061463 134297112 /nfs/dbraw/zinc/29/71/12/134297112.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061463 134297113 /nfs/dbraw/zinc/29/71/13/134297113.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 2 1 228.336 0.964 20 0 BCADMP CC(C)(C[NH2+]CCC(N)=O)[NH+]1CCCCC1 ZINC000578316105 366500377 /nfs/dbraw/zinc/50/03/77/366500377.db2.gz MZMZCINPOAHRNO-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP COC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061463 134297114 /nfs/dbraw/zinc/29/71/14/134297114.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 2 1 228.336 0.964 20 0 BCADMP CN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402728 358967111 /nfs/dbraw/zinc/96/71/11/358967111.db2.gz OATUVQZPPOPFEH-JQWIXIFHSA-N 2 1 211.353 0.940 20 0 BCADMP CC[NH+]1CCC(NCC[N@@H+](C)CCOC)CC1 ZINC000061374953 358932880 /nfs/dbraw/zinc/93/28/80/358932880.db2.gz LKJIGGDJNYIYDU-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323556 192706818 /nfs/dbraw/zinc/70/68/18/192706818.db2.gz ICTIZRKGGQDHIS-UPJWGTAASA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423323556 192706820 /nfs/dbraw/zinc/70/68/20/192706820.db2.gz ICTIZRKGGQDHIS-UPJWGTAASA-N 2 1 225.380 0.916 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247027802 359185732 /nfs/dbraw/zinc/18/57/32/359185732.db2.gz RTGNYXNMLKIXAX-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+](C)C ZINC000564345905 325446550 /nfs/dbraw/zinc/44/65/50/325446550.db2.gz CYPSEEWSOHDJOG-NSHDSACASA-N 2 1 241.379 0.642 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247368333 359216945 /nfs/dbraw/zinc/21/69/45/359216945.db2.gz RNKNOBUKEQSHPR-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CN1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000086638237 359321365 /nfs/dbraw/zinc/32/13/65/359321365.db2.gz ASVIPTNYVYOWMO-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP CN1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000086638237 359321369 /nfs/dbraw/zinc/32/13/69/359321369.db2.gz ASVIPTNYVYOWMO-VIFPVBQESA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)C[NH3+] ZINC000423767088 192831314 /nfs/dbraw/zinc/83/13/14/192831314.db2.gz DFHOMABPLBNIIR-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886547 359586010 /nfs/dbraw/zinc/58/60/10/359586010.db2.gz SDCNCXXKNWAFLQ-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+]C ZINC000424021939 192855159 /nfs/dbraw/zinc/85/51/59/192855159.db2.gz SMRVJHFHRFMXJS-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000450959542 202321743 /nfs/dbraw/zinc/32/17/43/202321743.db2.gz YORVMBQMVFRWSV-GFCCVEGCSA-N 2 1 235.331 0.893 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000578442148 366569204 /nfs/dbraw/zinc/56/92/04/366569204.db2.gz AFCZGMIJJOXPNX-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(O)(CC)CC1 ZINC000578545172 366595512 /nfs/dbraw/zinc/59/55/12/366595512.db2.gz HTYZBVULZVLCGK-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CCN(C)C[C@@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545172 366595517 /nfs/dbraw/zinc/59/55/17/366595517.db2.gz HTYZBVULZVLCGK-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867762 366661850 /nfs/dbraw/zinc/66/18/50/366661850.db2.gz BNZYRYJZMCYCCA-JHJVBQTASA-N 3 1 223.364 0.527 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867762 366661854 /nfs/dbraw/zinc/66/18/54/366661854.db2.gz BNZYRYJZMCYCCA-JHJVBQTASA-N 2 1 223.364 0.527 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867763 366662182 /nfs/dbraw/zinc/66/21/82/366662182.db2.gz BNZYRYJZMCYCCA-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867763 366662186 /nfs/dbraw/zinc/66/21/86/366662186.db2.gz BNZYRYJZMCYCCA-UPJWGTAASA-N 2 1 223.364 0.527 20 0 BCADMP COCCC[N@@H+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000089749278 360036982 /nfs/dbraw/zinc/03/69/82/360036982.db2.gz NKVNKXSINREMDA-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666126 360121849 /nfs/dbraw/zinc/12/18/49/360121849.db2.gz GRXKAPBOLWAQIC-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666126 360121855 /nfs/dbraw/zinc/12/18/55/360121855.db2.gz GRXKAPBOLWAQIC-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875057 360135332 /nfs/dbraw/zinc/13/53/32/360135332.db2.gz BWHGQQDWAIHYRG-CMPLNLGQSA-N 2 1 240.351 0.132 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038778 363714096 /nfs/dbraw/zinc/71/40/96/363714096.db2.gz CAGRIEQKGMJKKD-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000626950237 360530128 /nfs/dbraw/zinc/53/01/28/360530128.db2.gz NKKRQOZNICVOBU-HBNTYKKESA-N 2 1 240.351 0.130 20 0 BCADMP C[C@@H]1CNCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414667460 200757038 /nfs/dbraw/zinc/75/70/38/200757038.db2.gz HJNXDOKASDHYMI-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414667460 200757041 /nfs/dbraw/zinc/75/70/41/200757041.db2.gz HJNXDOKASDHYMI-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417609971 200810828 /nfs/dbraw/zinc/81/08/28/200810828.db2.gz MKWDNCJBXDOLBW-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629407582 361055910 /nfs/dbraw/zinc/05/59/10/361055910.db2.gz FDINJDNQGNNXAZ-UMSGYPCISA-N 2 1 223.364 0.953 20 0 BCADMP C[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398122 361048891 /nfs/dbraw/zinc/04/88/91/361048891.db2.gz MWBIELLFPBHQDF-UHFFFAOYSA-N 3 1 215.341 0.036 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629405898 361054014 /nfs/dbraw/zinc/05/40/14/361054014.db2.gz XHNCYPJOWKGGDH-OLZOCXBDSA-N 3 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629405898 361054020 /nfs/dbraw/zinc/05/40/20/361054020.db2.gz XHNCYPJOWKGGDH-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629405898 361054026 /nfs/dbraw/zinc/05/40/26/361054026.db2.gz XHNCYPJOWKGGDH-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629405897 361054238 /nfs/dbraw/zinc/05/42/38/361054238.db2.gz XHNCYPJOWKGGDH-CHWSQXEVSA-N 3 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629405897 361054241 /nfs/dbraw/zinc/05/42/41/361054241.db2.gz XHNCYPJOWKGGDH-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629405897 361054242 /nfs/dbraw/zinc/05/42/42/361054242.db2.gz XHNCYPJOWKGGDH-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142394 200867463 /nfs/dbraw/zinc/86/74/63/200867463.db2.gz IDEZVFFHKHGTSB-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C1C[C@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000157432849 361082243 /nfs/dbraw/zinc/08/22/43/361082243.db2.gz OMHPFRBJLVWDAJ-TUAOUCFPSA-N 2 1 209.337 0.565 20 0 BCADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cn[nH]c1 ZINC000629521432 361118145 /nfs/dbraw/zinc/11/81/45/361118145.db2.gz QAXHXECXUYXZDP-VIFPVBQESA-N 2 1 224.308 0.568 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629519695 361120896 /nfs/dbraw/zinc/12/08/96/361120896.db2.gz HJSLVZYJLPHDKU-NXEZZACHSA-N 2 1 220.320 0.833 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000037812673 181324095 /nfs/dbraw/zinc/32/40/95/181324095.db2.gz FBJVKZARVRRAPM-LLVKDONJSA-N 2 1 237.347 0.565 20 0 BCADMP C[NH2+]C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629509617 361103616 /nfs/dbraw/zinc/10/36/16/361103616.db2.gz FXPDDKZCSZCRFZ-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629510371 361108820 /nfs/dbraw/zinc/10/88/20/361108820.db2.gz RCALDACDJRCILH-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629510371 361108822 /nfs/dbraw/zinc/10/88/22/361108822.db2.gz RCALDACDJRCILH-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000629520883 361116565 /nfs/dbraw/zinc/11/65/65/361116565.db2.gz YQJDENBXVDVLJQ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520364 361116662 /nfs/dbraw/zinc/11/66/62/361116662.db2.gz KNCORPQGKGSDOO-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520364 361116665 /nfs/dbraw/zinc/11/66/65/361116665.db2.gz KNCORPQGKGSDOO-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528920 361138280 /nfs/dbraw/zinc/13/82/80/361138280.db2.gz MYTDZTBYENLHDG-STQMWFEESA-N 3 1 243.395 0.542 20 0 BCADMP CCN1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528920 361138285 /nfs/dbraw/zinc/13/82/85/361138285.db2.gz MYTDZTBYENLHDG-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH+](CC3CC3)CC2)CCC1 ZINC000147939973 181324565 /nfs/dbraw/zinc/32/45/65/181324565.db2.gz XJGOSSKLAQIZNS-UHFFFAOYSA-N 2 1 237.347 0.422 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158638846 361206564 /nfs/dbraw/zinc/20/65/64/361206564.db2.gz JLIZYVNVYCTDJS-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246108 /nfs/dbraw/zinc/24/61/08/361246108.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246114 /nfs/dbraw/zinc/24/61/14/361246114.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246119 /nfs/dbraw/zinc/24/61/19/361246119.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 2 1 224.348 0.927 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579241626 366743998 /nfs/dbraw/zinc/74/39/98/366743998.db2.gz XRURSMACUXSPMT-NSHDSACASA-N 2 1 242.363 0.445 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428629854 201030870 /nfs/dbraw/zinc/03/08/70/201030870.db2.gz WBRKCKPYCCHXIM-FOSCPWQOSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428618851 201029278 /nfs/dbraw/zinc/02/92/78/201029278.db2.gz CHZQLWOSSNITNN-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC([NH3+])CC1 ZINC000428731165 201039276 /nfs/dbraw/zinc/03/92/76/201039276.db2.gz LADANLJDXWBZRN-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429132790 201070455 /nfs/dbraw/zinc/07/04/55/201070455.db2.gz FMIUTMAJBGWRJN-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000429156109 201072488 /nfs/dbraw/zinc/07/24/88/201072488.db2.gz DSVIABNYWCJSCU-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[NH+](C)CC(=O)NCC12CCC[NH+]1CCC2 ZINC000614227671 363765047 /nfs/dbraw/zinc/76/50/47/363765047.db2.gz BSNALDSMEJCVRF-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CCCN(CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC000429120029 201067768 /nfs/dbraw/zinc/06/77/68/201067768.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429408925 201106267 /nfs/dbraw/zinc/10/62/67/201106267.db2.gz XEGFCLBIKJLNAV-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP COC1(C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCC1 ZINC000429540956 201112962 /nfs/dbraw/zinc/11/29/62/201112962.db2.gz UONWJPRZYUJZDJ-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP COC1(C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCC1 ZINC000429540957 201113068 /nfs/dbraw/zinc/11/30/68/201113068.db2.gz UONWJPRZYUJZDJ-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629544094 361412791 /nfs/dbraw/zinc/41/27/91/361412791.db2.gz FANNLEBYRSIRGW-KIJLLGNVSA-N 2 1 223.364 0.715 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429658414 201123151 /nfs/dbraw/zinc/12/31/51/201123151.db2.gz IBVCEKAVTPAKJM-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429658415 201123456 /nfs/dbraw/zinc/12/34/56/201123456.db2.gz IBVCEKAVTPAKJM-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)C[N@@H+](C)CCC ZINC000429623944 201123542 /nfs/dbraw/zinc/12/35/42/201123542.db2.gz KTLBFAHAHXOQSM-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629544095 361422045 /nfs/dbraw/zinc/42/20/45/361422045.db2.gz FANNLEBYRSIRGW-OBPIAQAESA-N 2 1 223.364 0.715 20 0 BCADMP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000579474829 366822353 /nfs/dbraw/zinc/82/23/53/366822353.db2.gz QHFJXXLKIIYDQK-OPRDCNLKSA-N 2 1 243.376 0.153 20 0 BCADMP C[C@H](NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629547401 361430617 /nfs/dbraw/zinc/43/06/17/361430617.db2.gz SLBTZNDENFJXAG-YNEHKIRRSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629547399 361430930 /nfs/dbraw/zinc/43/09/30/361430930.db2.gz SLBTZNDENFJXAG-UPJWGTAASA-N 2 1 241.379 0.173 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547657 361431631 /nfs/dbraw/zinc/43/16/31/361431631.db2.gz UXWCDQXWXBNOKM-ZJUUUORDSA-N 2 1 207.277 0.757 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629549277 361434365 /nfs/dbraw/zinc/43/43/65/361434365.db2.gz GVSGZDGDCZISDY-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629549277 361434369 /nfs/dbraw/zinc/43/43/69/361434369.db2.gz GVSGZDGDCZISDY-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000629548818 361434516 /nfs/dbraw/zinc/43/45/16/361434516.db2.gz RACPIJNIFXYNIB-HBNTYKKESA-N 2 1 200.326 0.997 20 0 BCADMP C[C@@H](NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629556567 361450141 /nfs/dbraw/zinc/45/01/41/361450141.db2.gz SLBTZNDENFJXAG-FRRDWIJNSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629549438 361441971 /nfs/dbraw/zinc/44/19/71/361441971.db2.gz VOUPBQSBSPSVOK-FIQHERPVSA-N 2 1 211.353 0.809 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOC1CCOCC1 ZINC000629549993 361442731 /nfs/dbraw/zinc/44/27/31/361442731.db2.gz UYKASSIZICPIDO-NWDGAFQWSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CC[N@H+]1C ZINC000629542475 361418936 /nfs/dbraw/zinc/41/89/36/361418936.db2.gz YVXWCXNAJSNMAT-NEPJUHHUSA-N 3 1 229.368 0.424 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCN1C ZINC000629542475 361418940 /nfs/dbraw/zinc/41/89/40/361418940.db2.gz YVXWCXNAJSNMAT-NEPJUHHUSA-N 2 1 229.368 0.424 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CC[N@H+]1C ZINC000629542476 361419156 /nfs/dbraw/zinc/41/91/56/361419156.db2.gz YVXWCXNAJSNMAT-NWDGAFQWSA-N 3 1 229.368 0.424 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCN1C ZINC000629542476 361419162 /nfs/dbraw/zinc/41/91/62/361419162.db2.gz YVXWCXNAJSNMAT-NWDGAFQWSA-N 2 1 229.368 0.424 20 0 BCADMP CCOCC[N@@H+](C)CCOCC[NH2+]C ZINC000629568285 361460391 /nfs/dbraw/zinc/46/03/91/361460391.db2.gz QHWUBRIUGOLLFM-UHFFFAOYSA-N 2 1 204.314 0.191 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(N)c1 ZINC000629570848 361460882 /nfs/dbraw/zinc/46/08/82/361460882.db2.gz NUHKVMVDKKZZHJ-UHFFFAOYSA-N 2 1 237.347 0.937 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000629572074 361463835 /nfs/dbraw/zinc/46/38/35/361463835.db2.gz VTPHLGMGEHBEOG-NSHDSACASA-N 2 1 216.325 0.191 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)CCOCC[NH2+]C ZINC000629572406 361463931 /nfs/dbraw/zinc/46/39/31/361463931.db2.gz RWEVZERCFGPTCJ-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000629572436 361463951 /nfs/dbraw/zinc/46/39/51/361463951.db2.gz SMTZOPKEBMBWCG-LBPRGKRZSA-N 2 1 230.352 0.723 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC000629578189 361464346 /nfs/dbraw/zinc/46/43/46/361464346.db2.gz OCIFIPMBTRAYKT-GFCCVEGCSA-N 3 1 229.368 0.283 20 0 BCADMP Cc1nc([C@H](C)N(C)CCOCC[NH3+])n[nH]1 ZINC000629581030 361470663 /nfs/dbraw/zinc/47/06/63/361470663.db2.gz KFYTWHAFEHDIMH-QMMMGPOBSA-N 2 1 227.312 0.081 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cccnc1N ZINC000629581367 361470759 /nfs/dbraw/zinc/47/07/59/361470759.db2.gz YDCQGJFCROHZGD-UHFFFAOYSA-N 2 1 224.308 0.071 20 0 BCADMP COC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584674 361473706 /nfs/dbraw/zinc/47/37/06/361473706.db2.gz DADJCHNHDGVAMX-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP COC(=O)C1(C[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000448523735 201161560 /nfs/dbraw/zinc/16/15/60/201161560.db2.gz ZJZJDBJCWRGWKT-UHFFFAOYSA-N 2 1 240.347 0.966 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000629595429 361481623 /nfs/dbraw/zinc/48/16/23/361481623.db2.gz PCBQRSZSDJZSIZ-GFCCVEGCSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000629595429 361481626 /nfs/dbraw/zinc/48/16/26/361481626.db2.gz PCBQRSZSDJZSIZ-GFCCVEGCSA-N 2 1 227.352 0.587 20 0 BCADMP COCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593143 361484694 /nfs/dbraw/zinc/48/46/94/361484694.db2.gz FTOGQMASESHNFB-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000163328343 361454891 /nfs/dbraw/zinc/45/48/91/361454891.db2.gz ZIEMFFPZQJDGGG-WDEREUQCSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663330 361595798 /nfs/dbraw/zinc/59/57/98/361595798.db2.gz IJYVBEWMSRMUNN-NEPJUHHUSA-N 3 1 229.368 0.282 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663340 361595809 /nfs/dbraw/zinc/59/58/09/361595809.db2.gz IJYVBEWMSRMUNN-VXGBXAGGSA-N 3 1 229.368 0.282 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000435875424 201291742 /nfs/dbraw/zinc/29/17/42/201291742.db2.gz CMKBOGBPSFPWHP-LBPRGKRZSA-N 2 1 225.336 0.198 20 0 BCADMP CCCNC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435627052 201279723 /nfs/dbraw/zinc/27/97/23/201279723.db2.gz PZBMNFWZTRQKBH-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435627052 201279726 /nfs/dbraw/zinc/27/97/26/201279726.db2.gz PZBMNFWZTRQKBH-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000435879687 201292064 /nfs/dbraw/zinc/29/20/64/201292064.db2.gz DVMXEYRQOLZOCE-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000435879623 201292787 /nfs/dbraw/zinc/29/27/87/201292787.db2.gz DPWWMXARLULBEX-BDAKNGLRSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000435879623 201292790 /nfs/dbraw/zinc/29/27/90/201292790.db2.gz DPWWMXARLULBEX-BDAKNGLRSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000435876931 201293161 /nfs/dbraw/zinc/29/31/61/201293161.db2.gz LTNAXAZQJUKCOH-GFCCVEGCSA-N 2 1 237.351 0.600 20 0 BCADMP CCCC(=O)N[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435874008 201294088 /nfs/dbraw/zinc/29/40/88/201294088.db2.gz YSJDXRPQENIHCZ-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCCC(=O)N[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435874008 201294092 /nfs/dbraw/zinc/29/40/92/201294092.db2.gz YSJDXRPQENIHCZ-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP [NH3+]CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000082553659 181347679 /nfs/dbraw/zinc/34/76/79/181347679.db2.gz XMPWEEHZXJXILB-UHFFFAOYSA-N 2 1 247.342 0.680 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111935 541310459 /nfs/dbraw/zinc/31/04/59/541310459.db2.gz HBLHHICKVRLEQO-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000630387714 364103282 /nfs/dbraw/zinc/10/32/82/364103282.db2.gz YZPXPVFJNRNVSZ-GFCCVEGCSA-N 2 1 236.363 0.942 20 0 BCADMP c1c(C[C@H]2CC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000630587305 364293968 /nfs/dbraw/zinc/29/39/68/364293968.db2.gz XYOLOFDYAAOTNM-SNVBAGLBSA-N 2 1 229.287 0.814 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](CC)C(N)=O)C1 ZINC000245442201 364536632 /nfs/dbraw/zinc/53/66/32/364536632.db2.gz WCFKDCLJQNNMDY-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP [NH3+]CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812716 181366419 /nfs/dbraw/zinc/36/64/19/181366419.db2.gz BTURQTDALOOOHM-SNVBAGLBSA-N 2 1 211.309 0.032 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)CC(F)(F)C[NH3+] ZINC000573333841 364796762 /nfs/dbraw/zinc/79/67/62/364796762.db2.gz DVTNYXFAHISXRQ-QMMMGPOBSA-N 2 1 235.278 0.181 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH2+]C1CC1)C(C)C ZINC000573266089 364789940 /nfs/dbraw/zinc/78/99/40/364789940.db2.gz SLGQBKGPGHROSP-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000167476334 364793508 /nfs/dbraw/zinc/79/35/08/364793508.db2.gz LEKYXOVWQBLCON-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000573499389 364848095 /nfs/dbraw/zinc/84/80/95/364848095.db2.gz TYYAWWDWFYKARQ-TUAOUCFPSA-N 3 1 229.368 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000573499389 364848101 /nfs/dbraw/zinc/84/81/01/364848101.db2.gz TYYAWWDWFYKARQ-TUAOUCFPSA-N 3 1 229.368 0.016 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1[NH3+] ZINC000328525601 364865308 /nfs/dbraw/zinc/86/53/08/364865308.db2.gz UAJRZGYJBNHKJC-KXNHARMFSA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000573682119 364891301 /nfs/dbraw/zinc/89/13/01/364891301.db2.gz PMEVAPPGYJINQG-JTQLQIEISA-N 2 1 215.341 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH2+]CC1 ZINC000573800897 364918169 /nfs/dbraw/zinc/91/81/69/364918169.db2.gz ITBDLZNHQVTYKN-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000573924132 364941409 /nfs/dbraw/zinc/94/14/09/364941409.db2.gz RGNPMSBCKRVFIL-WDEREUQCSA-N 2 1 227.352 0.300 20 0 BCADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038396 364972822 /nfs/dbraw/zinc/97/28/22/364972822.db2.gz COGYRUHUXBZZOV-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000574166288 365001629 /nfs/dbraw/zinc/00/16/29/365001629.db2.gz WNBRFNUAVLPLCR-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000574166288 365001632 /nfs/dbraw/zinc/00/16/32/365001632.db2.gz WNBRFNUAVLPLCR-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP [NH3+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000368430161 181382389 /nfs/dbraw/zinc/38/23/89/181382389.db2.gz UAGKVQKPOAHDNF-MNOVXSKESA-N 2 1 225.336 0.326 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc[nH+]1 ZINC000574456494 365066009 /nfs/dbraw/zinc/06/60/09/365066009.db2.gz OEOOMDZDJXFFGS-DTORHVGOSA-N 2 1 234.303 0.823 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000574573678 365093886 /nfs/dbraw/zinc/09/38/86/365093886.db2.gz FJXUWACBEGVDDK-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000378186291 181395740 /nfs/dbraw/zinc/39/57/40/181395740.db2.gz WKVRWELZNNLKJE-GFCCVEGCSA-N 2 1 248.330 0.121 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000378186291 181395742 /nfs/dbraw/zinc/39/57/42/181395742.db2.gz WKVRWELZNNLKJE-GFCCVEGCSA-N 2 1 248.330 0.121 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000063178420 181395818 /nfs/dbraw/zinc/39/58/18/181395818.db2.gz PTJPROGLSUNLHD-NSHDSACASA-N 2 1 225.336 0.183 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756803 365136164 /nfs/dbraw/zinc/13/61/64/365136164.db2.gz DKMJSQUARCHKIL-JHJVBQTASA-N 3 1 223.364 0.670 20 0 BCADMP C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756803 365136168 /nfs/dbraw/zinc/13/61/68/365136168.db2.gz DKMJSQUARCHKIL-JHJVBQTASA-N 2 1 223.364 0.670 20 0 BCADMP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000574649353 365113524 /nfs/dbraw/zinc/11/35/24/365113524.db2.gz VSWHCVFWEGNGLW-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000574649353 365113528 /nfs/dbraw/zinc/11/35/28/365113528.db2.gz VSWHCVFWEGNGLW-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)(CCC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000575068385 365185779 /nfs/dbraw/zinc/18/57/79/365185779.db2.gz HWFQQXROSANQFL-UHFFFAOYSA-N 2 1 237.294 0.604 20 0 BCADMP COC(=O)CC[N@@H+](CCC[NH3+])C[C@H]1CCCO1 ZINC000574858845 365160279 /nfs/dbraw/zinc/16/02/79/365160279.db2.gz DCJRYYHPKMAPGN-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000574876537 365165236 /nfs/dbraw/zinc/16/52/36/365165236.db2.gz ASJKYMFFXDADNC-NEPJUHHUSA-N 2 1 232.368 0.296 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000574881839 365168257 /nfs/dbraw/zinc/16/82/57/365168257.db2.gz WFTGHICWPNVIDQ-AEJSXWLSSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814162 365145686 /nfs/dbraw/zinc/14/56/86/365145686.db2.gz CBJPBOVODMKQRT-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814162 365145693 /nfs/dbraw/zinc/14/56/93/365145693.db2.gz CBJPBOVODMKQRT-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000444172008 193039706 /nfs/dbraw/zinc/03/97/06/193039706.db2.gz YHJHWFQLSNPDQK-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177012 193040164 /nfs/dbraw/zinc/04/01/64/193040164.db2.gz SBCWHPPFBJVITQ-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000444168552 193040431 /nfs/dbraw/zinc/04/04/31/193040431.db2.gz PCSQAVOPNWGIFV-DYEKYZERSA-N 2 1 249.358 0.293 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000444266327 193043729 /nfs/dbraw/zinc/04/37/29/193043729.db2.gz DIBKBRWGGPKJFU-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH+](C)C ZINC000575759560 365356701 /nfs/dbraw/zinc/35/67/01/365356701.db2.gz VFQVBPZWPWNKTM-JTQLQIEISA-N 2 1 238.335 0.656 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CF ZINC000575879066 365404062 /nfs/dbraw/zinc/40/40/62/365404062.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 1 218.316 0.733 20 0 BCADMP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156091544 541485445 /nfs/dbraw/zinc/48/54/45/541485445.db2.gz DNJMYYOWMSOZPY-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000579730027 366996739 /nfs/dbraw/zinc/99/67/39/366996739.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579730027 366996743 /nfs/dbraw/zinc/99/67/43/366996743.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000579730027 366996748 /nfs/dbraw/zinc/99/67/48/366996748.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[C@@]1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085025 541513711 /nfs/dbraw/zinc/51/37/11/541513711.db2.gz JWMVNTCQNAQVIO-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@@]1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085025 541513714 /nfs/dbraw/zinc/51/37/14/541513714.db2.gz JWMVNTCQNAQVIO-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP COCCNCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000579733115 366997910 /nfs/dbraw/zinc/99/79/10/366997910.db2.gz FHELTUBREYSTPC-MNOVXSKESA-N 2 1 215.341 0.082 20 0 BCADMP CC(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579853026 367051943 /nfs/dbraw/zinc/05/19/43/367051943.db2.gz ABIUYGZFXROWPX-GHMZBOCLSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000581012598 367235431 /nfs/dbraw/zinc/23/54/31/367235431.db2.gz ITKRTJJFOVWTLS-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1C(N)=O ZINC000581303682 367332378 /nfs/dbraw/zinc/33/23/78/367332378.db2.gz QIJDKRXEGLBRDC-SNVBAGLBSA-N 2 1 248.330 0.711 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1C(N)=O ZINC000581303682 367332386 /nfs/dbraw/zinc/33/23/86/367332386.db2.gz QIJDKRXEGLBRDC-SNVBAGLBSA-N 2 1 248.330 0.711 20 0 BCADMP CC[C@@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381110707 367351568 /nfs/dbraw/zinc/35/15/68/367351568.db2.gz ZXKGPFATTPSSTN-NEPJUHHUSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381110707 367351571 /nfs/dbraw/zinc/35/15/71/367351571.db2.gz ZXKGPFATTPSSTN-NEPJUHHUSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381110710 367351625 /nfs/dbraw/zinc/35/16/25/367351625.db2.gz ZXKGPFATTPSSTN-RYUDHWBXSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381110710 367351629 /nfs/dbraw/zinc/35/16/29/367351629.db2.gz ZXKGPFATTPSSTN-RYUDHWBXSA-N 2 1 230.352 0.192 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000581190028 367288543 /nfs/dbraw/zinc/28/85/43/367288543.db2.gz PAIFZQHCBKOAJB-TZMCWYRMSA-N 2 1 249.358 0.364 20 0 BCADMP C[C@H]1C[N@H+](CCN(C)[C@@H]2CC[NH2+]C2)CCO1 ZINC000581370222 367402337 /nfs/dbraw/zinc/40/23/37/367402337.db2.gz NOEYIPATIQBRJY-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@@H+](CCN(C)[C@@H]2CC[NH2+]C2)CCO1 ZINC000581370222 367402343 /nfs/dbraw/zinc/40/23/43/367402343.db2.gz NOEYIPATIQBRJY-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)CO ZINC000581497463 367526175 /nfs/dbraw/zinc/52/61/75/367526175.db2.gz WJBAZUMGYSXATH-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)CO ZINC000581497463 367526181 /nfs/dbraw/zinc/52/61/81/367526181.db2.gz WJBAZUMGYSXATH-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)CO ZINC000581497463 367526188 /nfs/dbraw/zinc/52/61/88/367526188.db2.gz WJBAZUMGYSXATH-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)CO ZINC000581497463 367526194 /nfs/dbraw/zinc/52/61/94/367526194.db2.gz WJBAZUMGYSXATH-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@H](O)CN(C)C1CC1)C(C)(C)O ZINC000382865949 367565586 /nfs/dbraw/zinc/56/55/86/367565586.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865949 367565591 /nfs/dbraw/zinc/56/55/91/367565591.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865949 367565595 /nfs/dbraw/zinc/56/55/95/367565595.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865949 367565602 /nfs/dbraw/zinc/56/56/02/367565602.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 2 1 244.379 0.533 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000382571534 367542322 /nfs/dbraw/zinc/54/23/22/367542322.db2.gz RNDYNHWBRONDMU-UMSGYPCISA-N 2 1 244.379 0.702 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000383487966 367627873 /nfs/dbraw/zinc/62/78/73/367627873.db2.gz AHLJBIZXAAUJLM-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000383487966 367627881 /nfs/dbraw/zinc/62/78/81/367627881.db2.gz AHLJBIZXAAUJLM-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1O)C1CC1 ZINC000383581371 367640674 /nfs/dbraw/zinc/64/06/74/367640674.db2.gz LZWLEWQSYCBGDC-AGIUHOORSA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1O)C1CC1 ZINC000383581371 367640677 /nfs/dbraw/zinc/64/06/77/367640677.db2.gz LZWLEWQSYCBGDC-AGIUHOORSA-N 2 1 242.363 0.335 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000383644570 367646875 /nfs/dbraw/zinc/64/68/75/367646875.db2.gz CDKUAMJBUBDWQD-AAEUAGOBSA-N 2 1 243.395 0.371 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)Cn1c[nH+]c(C)c1C ZINC000383654714 367647223 /nfs/dbraw/zinc/64/72/23/367647223.db2.gz FGPJAYZVXOZOFF-GFCCVEGCSA-N 2 1 241.335 0.439 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c(C)c1C ZINC000383654714 367647229 /nfs/dbraw/zinc/64/72/29/367647229.db2.gz FGPJAYZVXOZOFF-GFCCVEGCSA-N 2 1 241.335 0.439 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000383856868 367655630 /nfs/dbraw/zinc/65/56/30/367655630.db2.gz NBWRRNCLMUHCQT-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000383856868 367655636 /nfs/dbraw/zinc/65/56/36/367655636.db2.gz NBWRRNCLMUHCQT-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000383758627 367651232 /nfs/dbraw/zinc/65/12/32/367651232.db2.gz LBTZIQDIQYUVQZ-NTZNESFSSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000383758627 367651236 /nfs/dbraw/zinc/65/12/36/367651236.db2.gz LBTZIQDIQYUVQZ-NTZNESFSSA-N 2 1 242.363 0.599 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCCC1 ZINC000383790108 367653211 /nfs/dbraw/zinc/65/32/11/367653211.db2.gz QUUIWGVVOITVDG-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccco1)C1CC1 ZINC000383786580 367653356 /nfs/dbraw/zinc/65/33/56/367653356.db2.gz QEHUATOZHTVVRH-GFCCVEGCSA-N 2 1 238.331 0.867 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccco1)C1CC1 ZINC000383786580 367653363 /nfs/dbraw/zinc/65/33/63/367653363.db2.gz QEHUATOZHTVVRH-GFCCVEGCSA-N 2 1 238.331 0.867 20 0 BCADMP Cc1cnn(CC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384798589 367734073 /nfs/dbraw/zinc/73/40/73/367734073.db2.gz XHNJIKJLOSJESR-UHFFFAOYSA-N 2 1 208.309 0.613 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000384832569 367739379 /nfs/dbraw/zinc/73/93/79/367739379.db2.gz LMRRWFBRNSNWKV-GMTAPVOTSA-N 2 1 223.320 0.091 20 0 BCADMP Cc1cnccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000384931180 367760098 /nfs/dbraw/zinc/76/00/98/367760098.db2.gz HKQXHKZHKSNGDZ-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778574 /nfs/dbraw/zinc/77/85/74/367778574.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778579 /nfs/dbraw/zinc/77/85/79/367778579.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778583 /nfs/dbraw/zinc/77/85/83/367778583.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778588 /nfs/dbraw/zinc/77/85/88/367778588.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778594 /nfs/dbraw/zinc/77/85/94/367778594.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778596 /nfs/dbraw/zinc/77/85/96/367778596.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778602 /nfs/dbraw/zinc/77/86/02/367778602.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000566216018 326016195 /nfs/dbraw/zinc/01/61/95/326016195.db2.gz INZSWXZFVUSHOO-WCQYABFASA-N 2 1 242.363 0.864 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386533421 367987551 /nfs/dbraw/zinc/98/75/51/367987551.db2.gz BBPWGTOLLKOWKM-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000386891212 368030995 /nfs/dbraw/zinc/03/09/95/368030995.db2.gz KFSJDJQZKRXYSL-IACCCYARSA-N 2 1 212.337 0.971 20 0 BCADMP C[C@@H]([NH3+])CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442667078 201582556 /nfs/dbraw/zinc/58/25/56/201582556.db2.gz VDBQPVNPPMQRMM-YPMHNXCESA-N 2 1 225.380 0.997 20 0 BCADMP C[C@@H]1CC[N@H+](CCNC(=O)c2c[nH+]ccc2N)C1 ZINC000582006115 368129555 /nfs/dbraw/zinc/12/95/55/368129555.db2.gz ZZSGRKYLOLJNQO-SNVBAGLBSA-N 2 1 248.330 0.566 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2c[nH+]ccc2N)C1 ZINC000582006115 368129558 /nfs/dbraw/zinc/12/95/58/368129558.db2.gz ZZSGRKYLOLJNQO-SNVBAGLBSA-N 2 1 248.330 0.566 20 0 BCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000615850206 368532057 /nfs/dbraw/zinc/53/20/57/368532057.db2.gz MZODOQHBQFQMLA-WDEREUQCSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000615850206 368532064 /nfs/dbraw/zinc/53/20/64/368532064.db2.gz MZODOQHBQFQMLA-WDEREUQCSA-N 2 1 237.347 0.243 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000066923941 368668279 /nfs/dbraw/zinc/66/82/79/368668279.db2.gz UJOSWDLYIPVCHC-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000067573375 368692716 /nfs/dbraw/zinc/69/27/16/368692716.db2.gz WOKNGTQMPOFEFM-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823455 368982393 /nfs/dbraw/zinc/98/23/93/368982393.db2.gz FDFOJRNHSOAOMH-RYUDHWBXSA-N 2 1 249.362 0.839 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000567351353 326171281 /nfs/dbraw/zinc/17/12/81/326171281.db2.gz JBLXPXTVYNOJJA-WDSKDSINSA-N 2 1 228.321 0.067 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623661816 369075629 /nfs/dbraw/zinc/07/56/29/369075629.db2.gz DRVICHOOIYLWGY-DDHJBXDOSA-N 2 1 237.347 0.467 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837144 369089849 /nfs/dbraw/zinc/08/98/49/369089849.db2.gz NHXAUISIRVYIMH-MWLCHTKSSA-N 2 1 237.351 0.633 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837144 369089852 /nfs/dbraw/zinc/08/98/52/369089852.db2.gz NHXAUISIRVYIMH-MWLCHTKSSA-N 2 1 237.351 0.633 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000567606569 326227930 /nfs/dbraw/zinc/22/79/30/326227930.db2.gz UMPITGKKBJTUAE-CMPLNLGQSA-N 2 1 228.336 0.234 20 0 BCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH+](C)C ZINC000618989588 369253298 /nfs/dbraw/zinc/25/32/98/369253298.db2.gz SIJTVPYKXLKWTR-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP OCC[NH2+]C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000631862269 369486753 /nfs/dbraw/zinc/48/67/53/369486753.db2.gz NOFQFXIHLJPEQQ-CYBMUJFWSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H](C)[NH3+] ZINC000166026543 203388082 /nfs/dbraw/zinc/38/80/82/203388082.db2.gz XZJXJPHWHVAZMN-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863397 369611093 /nfs/dbraw/zinc/61/10/93/369611093.db2.gz ZTUOPGBQOUEMBA-QNWHQSFQSA-N 2 1 239.363 0.271 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863397 369611097 /nfs/dbraw/zinc/61/10/97/369611097.db2.gz ZTUOPGBQOUEMBA-QNWHQSFQSA-N 2 1 239.363 0.271 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000619900545 369632097 /nfs/dbraw/zinc/63/20/97/369632097.db2.gz CZJWKRZOUSRXSN-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000620207446 369767522 /nfs/dbraw/zinc/76/75/22/369767522.db2.gz KGVZIOYFCQAQTN-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)C(N)=O ZINC000314390244 326298799 /nfs/dbraw/zinc/29/87/99/326298799.db2.gz STHCWUSFWGBFFR-GFCCVEGCSA-N 2 1 238.335 0.596 20 0 BCADMP CC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251853875 369977933 /nfs/dbraw/zinc/97/79/33/369977933.db2.gz NJOQADPZXQXZSN-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000568167259 326318043 /nfs/dbraw/zinc/31/80/43/326318043.db2.gz DDSUZGDYJPSXBM-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000568167259 326318044 /nfs/dbraw/zinc/31/80/44/326318044.db2.gz DDSUZGDYJPSXBM-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000568167259 326318046 /nfs/dbraw/zinc/31/80/46/326318046.db2.gz DDSUZGDYJPSXBM-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000568167259 326318048 /nfs/dbraw/zinc/31/80/48/326318048.db2.gz DDSUZGDYJPSXBM-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758710 370124665 /nfs/dbraw/zinc/12/46/65/370124665.db2.gz FQPCSAFEWYSKEE-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758710 370124670 /nfs/dbraw/zinc/12/46/70/370124670.db2.gz FQPCSAFEWYSKEE-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000621772475 370516192 /nfs/dbraw/zinc/51/61/92/370516192.db2.gz FFPKTICXIVOAAY-KGYLQXTDSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000621772475 370516198 /nfs/dbraw/zinc/51/61/98/370516198.db2.gz FFPKTICXIVOAAY-KGYLQXTDSA-N 2 1 239.363 0.680 20 0 BCADMP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784115 370536506 /nfs/dbraw/zinc/53/65/06/370536506.db2.gz KDDYWSMDCKJQEN-GVXVVHGQSA-N 2 1 237.347 0.420 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784115 370536510 /nfs/dbraw/zinc/53/65/10/370536510.db2.gz KDDYWSMDCKJQEN-GVXVVHGQSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776609 370525580 /nfs/dbraw/zinc/52/55/80/370525580.db2.gz PXQGUVUVJBUFJI-LLVKDONJSA-N 2 1 211.353 0.622 20 0 BCADMP COC[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)OC ZINC000621783353 370533892 /nfs/dbraw/zinc/53/38/92/370533892.db2.gz AEHSDZGJMIVPGW-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)OC ZINC000621783353 370533895 /nfs/dbraw/zinc/53/38/95/370533895.db2.gz AEHSDZGJMIVPGW-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000622600368 371011084 /nfs/dbraw/zinc/01/10/84/371011084.db2.gz VIMUFWKWWGJRCI-VIFPVBQESA-N 2 1 224.308 0.258 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH+](C)C ZINC000623975801 371210933 /nfs/dbraw/zinc/21/09/33/371210933.db2.gz QJSVEEGPZYTJBG-SECBINFHSA-N 2 1 224.308 0.258 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000624130519 371331123 /nfs/dbraw/zinc/33/11/23/371331123.db2.gz PYFFDJVBLFUJSZ-DDHJBXDOSA-N 2 1 239.363 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000627488141 371654887 /nfs/dbraw/zinc/65/48/87/371654887.db2.gz SBNUPEMDDIJWAM-NEPJUHHUSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000627488141 371654889 /nfs/dbraw/zinc/65/48/89/371654889.db2.gz SBNUPEMDDIJWAM-NEPJUHHUSA-N 2 1 248.330 0.354 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000631823482 372600329 /nfs/dbraw/zinc/60/03/29/372600329.db2.gz FRPYSFNQNFVJGD-AXFHLTTASA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000631823482 372600334 /nfs/dbraw/zinc/60/03/34/372600334.db2.gz FRPYSFNQNFVJGD-AXFHLTTASA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825886 372603629 /nfs/dbraw/zinc/60/36/29/372603629.db2.gz XVWWUDNZUBWDPB-PWSUYJOCSA-N 2 1 235.335 0.436 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631822250 372598410 /nfs/dbraw/zinc/59/84/10/372598410.db2.gz XVXBTSSXZSFDLC-SDDRHHMPSA-N 2 1 249.362 0.825 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822452 372598995 /nfs/dbraw/zinc/59/89/95/372598995.db2.gz DJRLOQLKAGJWHT-VWYCJHECSA-N 2 1 235.335 0.435 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828842 372609083 /nfs/dbraw/zinc/60/90/83/372609083.db2.gz ZUIAANGCMZJLGM-GRYCIOLGSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000631830040 372612764 /nfs/dbraw/zinc/61/27/64/372612764.db2.gz HWNIDJOIWQNUKJ-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP COC[C@H](C[N@@H+]1CCCCC[C@H]([NH3+])C1)OC ZINC000631835010 372619992 /nfs/dbraw/zinc/61/99/92/372619992.db2.gz KIVRXQSDZNREEV-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)OC ZINC000631835010 372620000 /nfs/dbraw/zinc/62/00/00/372620000.db2.gz KIVRXQSDZNREEV-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@@H](C[N@@H+]1CCCCC[C@H]([NH3+])C1)OC ZINC000631835009 372621082 /nfs/dbraw/zinc/62/10/82/372621082.db2.gz KIVRXQSDZNREEV-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)OC ZINC000631835009 372621086 /nfs/dbraw/zinc/62/10/86/372621086.db2.gz KIVRXQSDZNREEV-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000631837103 372627188 /nfs/dbraw/zinc/62/71/88/372627188.db2.gz MUSJUZDXDVHRSJ-OPRDCNLKSA-N 2 1 234.290 0.937 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000631841109 372639264 /nfs/dbraw/zinc/63/92/64/372639264.db2.gz YBICLHDWAHARBK-NXEZZACHSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000631841109 372639269 /nfs/dbraw/zinc/63/92/69/372639269.db2.gz YBICLHDWAHARBK-NXEZZACHSA-N 2 1 208.309 0.447 20 0 BCADMP OCC[NH2+]C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000631862824 372665285 /nfs/dbraw/zinc/66/52/85/372665285.db2.gz OHHWUPLWZNIUOX-GFCCVEGCSA-N 2 1 241.379 0.032 20 0 BCADMP C(C[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867671 372669668 /nfs/dbraw/zinc/66/96/68/372669668.db2.gz YQZGNRZUZMEVLO-XQQFMLRXSA-N 2 1 223.364 0.718 20 0 BCADMP Cn1cc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000631868069 372670758 /nfs/dbraw/zinc/67/07/58/372670758.db2.gz VJBAVWXHQSTAKK-OLZOCXBDSA-N 2 1 234.347 0.694 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726696 182017737 /nfs/dbraw/zinc/01/77/37/182017737.db2.gz PVGSQDHCMWNFJX-WDEREUQCSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249733165 182027275 /nfs/dbraw/zinc/02/72/75/182027275.db2.gz BXOHPQBETDFVMX-NEPJUHHUSA-N 2 1 237.347 0.435 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726695 182028380 /nfs/dbraw/zinc/02/83/80/182028380.db2.gz PVGSQDHCMWNFJX-GHMZBOCLSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227640515 182029184 /nfs/dbraw/zinc/02/91/84/182029184.db2.gz ZBYAEIIPXFZMDY-GHMZBOCLSA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCOC1 ZINC000223287636 259565002 /nfs/dbraw/zinc/56/50/02/259565002.db2.gz DKFPZIWBPCYLKN-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP O=C(NCC[NH+]1CCC1)C12CCC[NH+]1CCC2 ZINC000355356727 182182775 /nfs/dbraw/zinc/18/27/75/182182775.db2.gz MBNKJJIHLCBVMY-UHFFFAOYSA-N 2 1 237.347 0.437 20 0 BCADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000381208035 374028458 /nfs/dbraw/zinc/02/84/58/374028458.db2.gz GPLOZHFOSNSRHH-JTQLQIEISA-N 2 1 220.320 0.984 20 0 BCADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000381208035 374028465 /nfs/dbraw/zinc/02/84/65/374028465.db2.gz GPLOZHFOSNSRHH-JTQLQIEISA-N 2 1 220.320 0.984 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000634300522 374127141 /nfs/dbraw/zinc/12/71/41/374127141.db2.gz BHGWGOOZCCGQCR-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000634301019 374129492 /nfs/dbraw/zinc/12/94/92/374129492.db2.gz UHUKZRWDPOHSJE-SNVBAGLBSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000634301019 374129499 /nfs/dbraw/zinc/12/94/99/374129499.db2.gz UHUKZRWDPOHSJE-SNVBAGLBSA-N 2 1 227.352 0.522 20 0 BCADMP CC[NH2+][C@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000634556791 374313802 /nfs/dbraw/zinc/31/38/02/374313802.db2.gz DTYSUIBVYHGRAR-JGVFFNPUSA-N 2 1 212.297 0.891 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428149956 206022122 /nfs/dbraw/zinc/02/21/22/206022122.db2.gz IAHLLOYLHIHPAO-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424381574 206039343 /nfs/dbraw/zinc/03/93/43/206039343.db2.gz RABJBWKWGFMBTL-ZJUUUORDSA-N 3 1 235.322 0.948 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000178702789 134313172 /nfs/dbraw/zinc/31/31/72/134313172.db2.gz GPWUHCYHPQOWSA-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812657 169005432 /nfs/dbraw/zinc/00/54/32/169005432.db2.gz SVFVKHKJNNADDZ-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309517085 169006063 /nfs/dbraw/zinc/00/60/63/169006063.db2.gz YZFRNMBAISNCCO-ZETCQYMHSA-N 2 1 223.267 0.214 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643487 169007864 /nfs/dbraw/zinc/00/78/64/169007864.db2.gz WDTGCNHBASYULQ-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220925251 134315037 /nfs/dbraw/zinc/31/50/37/134315037.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220925251 134315038 /nfs/dbraw/zinc/31/50/38/134315038.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220925251 134315039 /nfs/dbraw/zinc/31/50/39/134315039.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000356888872 169068322 /nfs/dbraw/zinc/06/83/22/169068322.db2.gz UZLHTDRCGHBLDC-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000356888872 169068323 /nfs/dbraw/zinc/06/83/23/169068323.db2.gz UZLHTDRCGHBLDC-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000356888872 169068326 /nfs/dbraw/zinc/06/83/26/169068326.db2.gz UZLHTDRCGHBLDC-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356888872 169068328 /nfs/dbraw/zinc/06/83/28/169068328.db2.gz UZLHTDRCGHBLDC-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358756133 169069103 /nfs/dbraw/zinc/06/91/03/169069103.db2.gz MPAWPVHXWHELIS-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358756133 169069105 /nfs/dbraw/zinc/06/91/05/169069105.db2.gz MPAWPVHXWHELIS-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000359349980 169069200 /nfs/dbraw/zinc/06/92/00/169069200.db2.gz XCEXCJYISOWKPM-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000359349980 169069203 /nfs/dbraw/zinc/06/92/03/169069203.db2.gz XCEXCJYISOWKPM-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000309525242 169069952 /nfs/dbraw/zinc/06/99/52/169069952.db2.gz CJWXJHWILYMLLY-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356279417 169064194 /nfs/dbraw/zinc/06/41/94/169064194.db2.gz LXLDOPBFGFOTEE-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@@H]2O)C1 ZINC000340292137 169077879 /nfs/dbraw/zinc/07/78/79/169077879.db2.gz RVSCWFVFVDFWCB-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@@H]2O)C1 ZINC000340292137 169077882 /nfs/dbraw/zinc/07/78/82/169077882.db2.gz RVSCWFVFVDFWCB-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000340292137 169077884 /nfs/dbraw/zinc/07/78/84/169077884.db2.gz RVSCWFVFVDFWCB-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000340292137 169077887 /nfs/dbraw/zinc/07/78/87/169077887.db2.gz RVSCWFVFVDFWCB-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226407157 169120652 /nfs/dbraw/zinc/12/06/52/169120652.db2.gz UEZXGDCJVHVMEJ-ZDUSSCGKSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226406990 169120757 /nfs/dbraw/zinc/12/07/57/169120757.db2.gz GOWXIQYKFHJLCL-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@@H+](CCC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037898274 169138779 /nfs/dbraw/zinc/13/87/79/169138779.db2.gz HKTDGMZIUDQSRL-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCCN(CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336658107 169164726 /nfs/dbraw/zinc/16/47/26/169164726.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCCN(CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336658107 169164728 /nfs/dbraw/zinc/16/47/28/169164728.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658107 169164729 /nfs/dbraw/zinc/16/47/29/169164729.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658107 169164731 /nfs/dbraw/zinc/16/47/31/169164731.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336658107 169164733 /nfs/dbraw/zinc/16/47/33/169164733.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336658107 169164735 /nfs/dbraw/zinc/16/47/35/169164735.db2.gz MJEHIXAEVPFHIX-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799137 169193351 /nfs/dbraw/zinc/19/33/51/169193351.db2.gz HGEUDIAFGWLZTP-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000120960316 169195210 /nfs/dbraw/zinc/19/52/10/169195210.db2.gz YBEXBYJAOPRQTJ-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000236764164 169195632 /nfs/dbraw/zinc/19/56/32/169195632.db2.gz XJGDEQPIWFSIIL-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336775811 169196986 /nfs/dbraw/zinc/19/69/86/169196986.db2.gz CTHCGNUURKXJEL-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336775811 169196987 /nfs/dbraw/zinc/19/69/87/169196987.db2.gz CTHCGNUURKXJEL-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342134058 169198072 /nfs/dbraw/zinc/19/80/72/169198072.db2.gz SHHXWKKOQOWABS-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474332 169223525 /nfs/dbraw/zinc/22/35/25/169223525.db2.gz SOHSSUSWUBRXNG-QJPTWQEYSA-N 2 1 239.363 0.572 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127810823 169229825 /nfs/dbraw/zinc/22/98/25/169229825.db2.gz NPKKGTVJUCRDTM-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127810823 169229827 /nfs/dbraw/zinc/22/98/27/169229827.db2.gz NPKKGTVJUCRDTM-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751238 169208677 /nfs/dbraw/zinc/20/86/77/169208677.db2.gz CESKDRMLDRUDRE-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225384 169246950 /nfs/dbraw/zinc/24/69/50/169246950.db2.gz LCYWFLFVQHDRKF-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225384 169246951 /nfs/dbraw/zinc/24/69/51/169246951.db2.gz LCYWFLFVQHDRKF-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000178818608 134315563 /nfs/dbraw/zinc/31/55/63/134315563.db2.gz VTEVNAGCTAXDQD-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000224422664 134347340 /nfs/dbraw/zinc/34/73/40/134347340.db2.gz CGIFUJONGZLMAW-WOPDTQHZSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)F)CC[N@@H+]1C ZINC000224440953 134347422 /nfs/dbraw/zinc/34/74/22/134347422.db2.gz QTAOUXHXEGRUKT-HRDYMLBCSA-N 2 1 222.279 0.685 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)F)CC[N@H+]1C ZINC000224440953 134347423 /nfs/dbraw/zinc/34/74/23/134347423.db2.gz QTAOUXHXEGRUKT-HRDYMLBCSA-N 2 1 222.279 0.685 20 0 BCADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(C)C ZINC000224631892 134349371 /nfs/dbraw/zinc/34/93/71/134349371.db2.gz ADKJOCBAMORIKI-IJLUTSLNSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226402907 134365752 /nfs/dbraw/zinc/36/57/52/134365752.db2.gz LMHOWJKNZPHOAM-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226402907 134365753 /nfs/dbraw/zinc/36/57/53/134365753.db2.gz LMHOWJKNZPHOAM-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](C)C1 ZINC000223730873 383845816 /nfs/dbraw/zinc/84/58/16/383845816.db2.gz MFRHOGXEXLBVKN-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CCCc1c[nH+]cn1C ZINC000315044128 383924789 /nfs/dbraw/zinc/92/47/89/383924789.db2.gz XWFREJXTRLVAHX-QWRGUYRKSA-N 2 1 222.336 0.774 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000088112652 383882173 /nfs/dbraw/zinc/88/21/73/383882173.db2.gz RIROFVQYTRTTEH-UHFFFAOYSA-N 2 1 222.292 0.345 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000113512747 383988592 /nfs/dbraw/zinc/98/85/92/383988592.db2.gz WPRWHKZKBINHQC-LBPRGKRZSA-N 2 1 222.336 0.767 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000113512747 383988595 /nfs/dbraw/zinc/98/85/95/383988595.db2.gz WPRWHKZKBINHQC-LBPRGKRZSA-N 2 1 222.336 0.767 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000113512749 383988895 /nfs/dbraw/zinc/98/88/95/383988895.db2.gz WPRWHKZKBINHQC-GFCCVEGCSA-N 2 1 222.336 0.767 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000113512749 383988898 /nfs/dbraw/zinc/98/88/98/383988898.db2.gz WPRWHKZKBINHQC-GFCCVEGCSA-N 2 1 222.336 0.767 20 0 BCADMP CC[C@H](C(N)=O)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735217 134385548 /nfs/dbraw/zinc/38/55/48/134385548.db2.gz KYHCMEQZAAJGIY-NXEZZACHSA-N 2 1 215.341 0.556 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735217 134385549 /nfs/dbraw/zinc/38/55/49/134385549.db2.gz KYHCMEQZAAJGIY-NXEZZACHSA-N 2 1 215.341 0.556 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946082 383971980 /nfs/dbraw/zinc/97/19/80/383971980.db2.gz ZCHMETFJKSZINN-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000517373048 384064885 /nfs/dbraw/zinc/06/48/85/384064885.db2.gz AHWSRIMKWCYFQZ-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000569458842 384065940 /nfs/dbraw/zinc/06/59/40/384065940.db2.gz OCULRDLRERUFPH-LLVKDONJSA-N 2 1 235.335 0.572 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000569458842 384065944 /nfs/dbraw/zinc/06/59/44/384065944.db2.gz OCULRDLRERUFPH-LLVKDONJSA-N 2 1 235.335 0.572 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000648128833 384072122 /nfs/dbraw/zinc/07/21/22/384072122.db2.gz SVLNFRIAJOKTDW-WHOHXGKFSA-N 2 1 239.363 0.583 20 0 BCADMP C[NH+]1CCC(CCO)([NH2+]Cc2cc[nH]c2)CC1 ZINC000569471330 384097122 /nfs/dbraw/zinc/09/71/22/384097122.db2.gz HJWIFRUJRFCYOS-UHFFFAOYSA-N 2 1 237.347 0.951 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132691500 384200406 /nfs/dbraw/zinc/20/04/06/384200406.db2.gz PNOPSKRGRTVZFD-RYUDHWBXSA-N 2 1 230.352 0.579 20 0 BCADMP COC(=O)c1ccc(C[NH2+]CCC[NH+](C)C)[nH]1 ZINC000093084051 384210923 /nfs/dbraw/zinc/21/09/23/384210923.db2.gz NXEIFHVGAVQQGJ-UHFFFAOYSA-N 2 1 239.319 0.843 20 0 BCADMP CN(C)c1nc(N[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000082924367 384277078 /nfs/dbraw/zinc/27/70/78/384277078.db2.gz WUIBFYCOCLGYRM-QMMMGPOBSA-N 2 1 207.281 0.316 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000560697726 384304770 /nfs/dbraw/zinc/30/47/70/384304770.db2.gz WBBWGXCRAGBIAT-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000560697730 384306671 /nfs/dbraw/zinc/30/66/71/384306671.db2.gz WBBWGXCRAGBIAT-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH+](C)C ZINC000625568174 384314716 /nfs/dbraw/zinc/31/47/16/384314716.db2.gz RRHNQRLLARBITD-SNVBAGLBSA-N 2 1 238.335 0.648 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227865 384317254 /nfs/dbraw/zinc/31/72/54/384317254.db2.gz MUVQWKHGZBZUAE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227865 384317260 /nfs/dbraw/zinc/31/72/60/384317260.db2.gz MUVQWKHGZBZUAE-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+]CCCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000569578886 384283291 /nfs/dbraw/zinc/28/32/91/384283291.db2.gz BDAUDSVBZAFSLD-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342758 384293599 /nfs/dbraw/zinc/29/35/99/384293599.db2.gz XZEHBVBCIXGKFH-MDZLAQPJSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342758 384293607 /nfs/dbraw/zinc/29/36/07/384293607.db2.gz XZEHBVBCIXGKFH-MDZLAQPJSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352342758 384293613 /nfs/dbraw/zinc/29/36/13/384293613.db2.gz XZEHBVBCIXGKFH-MDZLAQPJSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352342758 384293618 /nfs/dbraw/zinc/29/36/18/384293618.db2.gz XZEHBVBCIXGKFH-MDZLAQPJSA-N 2 1 242.363 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])[C@H](C)C1 ZINC000262651504 384342061 /nfs/dbraw/zinc/34/20/61/384342061.db2.gz ALVRUZXYEHKMES-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248504681 384345546 /nfs/dbraw/zinc/34/55/46/384345546.db2.gz VRRSODKSVUBIRP-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362669 /nfs/dbraw/zinc/36/26/69/384362669.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362674 /nfs/dbraw/zinc/36/26/74/384362674.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362682 /nfs/dbraw/zinc/36/26/82/384362682.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP COCCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000084385804 384392944 /nfs/dbraw/zinc/39/29/44/384392944.db2.gz PDBXNBSMVQGLPB-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121294235 384409789 /nfs/dbraw/zinc/40/97/89/384409789.db2.gz CMVPRRTWRBAYOT-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121294235 384409794 /nfs/dbraw/zinc/40/97/94/384409794.db2.gz CMVPRRTWRBAYOT-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175306860 384421516 /nfs/dbraw/zinc/42/15/16/384421516.db2.gz PJBXWIRHSWNLOZ-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000648180207 384462818 /nfs/dbraw/zinc/46/28/18/384462818.db2.gz HJMZKJHOUNKIEN-DDHJBXDOSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000568182544 384465394 /nfs/dbraw/zinc/46/53/94/384465394.db2.gz SIEWCHINXUGJPF-XQQFMLRXSA-N 2 1 246.395 0.686 20 0 BCADMP CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000568182544 384465399 /nfs/dbraw/zinc/46/53/99/384465399.db2.gz SIEWCHINXUGJPF-XQQFMLRXSA-N 2 1 246.395 0.686 20 0 BCADMP C[C@@H](O)C[NH+](C)CCC[N@H+](C)C[C@@H](C)O ZINC000149857754 384485344 /nfs/dbraw/zinc/48/53/44/384485344.db2.gz XXTVCFLAYYEBCJ-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150818992 384509703 /nfs/dbraw/zinc/50/97/03/384509703.db2.gz PZLCKWDUXYBABS-GFCCVEGCSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150818992 384509706 /nfs/dbraw/zinc/50/97/06/384509706.db2.gz PZLCKWDUXYBABS-GFCCVEGCSA-N 2 1 240.347 0.967 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000648168915 384489320 /nfs/dbraw/zinc/48/93/20/384489320.db2.gz GYELERMNZDVYQZ-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000648168918 384490856 /nfs/dbraw/zinc/49/08/56/384490856.db2.gz GYELERMNZDVYQZ-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000249982930 384529945 /nfs/dbraw/zinc/52/99/45/384529945.db2.gz RUJGRKLRITXOFM-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000249982930 384529951 /nfs/dbraw/zinc/52/99/51/384529951.db2.gz RUJGRKLRITXOFM-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CCC[NH2+]C ZINC000236711427 384555204 /nfs/dbraw/zinc/55/52/04/384555204.db2.gz AQRRSRYTLWPPFU-UHFFFAOYSA-N 2 1 229.368 0.834 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000305945871 384557873 /nfs/dbraw/zinc/55/78/73/384557873.db2.gz CAIVOGQEQVVQDR-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000306067008 384569468 /nfs/dbraw/zinc/56/94/68/384569468.db2.gz YYWMKFXGOAGNRW-MNOVXSKESA-N 2 1 245.367 0.197 20 0 BCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C ZINC000236749065 384569349 /nfs/dbraw/zinc/56/93/49/384569349.db2.gz QMXKXSXFAPIASS-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP Cc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000306113284 384573206 /nfs/dbraw/zinc/57/32/06/384573206.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 1 248.334 0.801 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000643077508 384604007 /nfs/dbraw/zinc/60/40/07/384604007.db2.gz KUKSTWUAVQSLLC-JTNHKYCSSA-N 2 1 249.358 0.861 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000643077509 384605868 /nfs/dbraw/zinc/60/58/68/384605868.db2.gz KUKSTWUAVQSLLC-SUNKGSAMSA-N 2 1 249.358 0.861 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309792111 384611294 /nfs/dbraw/zinc/61/12/94/384611294.db2.gz PKEMBASMOAHNAM-PWSUYJOCSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCOC1 ZINC000400705299 384616740 /nfs/dbraw/zinc/61/67/40/384616740.db2.gz QHCSEPWOJDASQF-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000171631558 384617940 /nfs/dbraw/zinc/61/79/40/384617940.db2.gz KFPQVRSFVXPGMZ-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000171631558 384617947 /nfs/dbraw/zinc/61/79/47/384617947.db2.gz KFPQVRSFVXPGMZ-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538499 384669073 /nfs/dbraw/zinc/66/90/73/384669073.db2.gz VNUKFGKOJBGBLN-RYUDHWBXSA-N 2 1 235.335 0.525 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638277 384672125 /nfs/dbraw/zinc/67/21/25/384672125.db2.gz OIZDZVUARZFCIQ-SECBINFHSA-N 2 1 215.341 0.380 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638277 384672129 /nfs/dbraw/zinc/67/21/29/384672129.db2.gz OIZDZVUARZFCIQ-SECBINFHSA-N 2 1 215.341 0.380 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534047 384646495 /nfs/dbraw/zinc/64/64/95/384646495.db2.gz FKTPYXXGBGFUMF-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534047 384646499 /nfs/dbraw/zinc/64/64/99/384646499.db2.gz FKTPYXXGBGFUMF-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531377 384658200 /nfs/dbraw/zinc/65/82/00/384658200.db2.gz PDGRBLLWCAUFAW-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531377 384658204 /nfs/dbraw/zinc/65/82/04/384658204.db2.gz PDGRBLLWCAUFAW-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000044538761 384659974 /nfs/dbraw/zinc/65/99/74/384659974.db2.gz XFRWYLLGJNMWFY-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000236874243 384724777 /nfs/dbraw/zinc/72/47/77/384724777.db2.gz IKYNDNUDLLEAKS-NEPJUHHUSA-N 2 1 241.379 0.770 20 0 BCADMP CC(C)[NH2+]CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932296 384720385 /nfs/dbraw/zinc/72/03/85/384720385.db2.gz WIRVFNWGEHGQCD-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc[nH]c1 ZINC000125905264 384720551 /nfs/dbraw/zinc/72/05/51/384720551.db2.gz ULZZWMIDBFPMJL-LLVKDONJSA-N 2 1 211.309 0.417 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC(C)(C)[NH3+] ZINC000648155655 384732074 /nfs/dbraw/zinc/73/20/74/384732074.db2.gz YHJUFGPSQRSNDY-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000647546946 384732524 /nfs/dbraw/zinc/73/25/24/384732524.db2.gz HXOSKRXLNSKYLP-YUMQZZPRSA-N 2 1 207.268 0.168 20 0 BCADMP CC(C)(N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546687 384732809 /nfs/dbraw/zinc/73/28/09/384732809.db2.gz VWSUORALJTVHJC-GARJFASQSA-N 2 1 211.353 0.701 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647546787 384733074 /nfs/dbraw/zinc/73/30/74/384733074.db2.gz BEDZUIQJUJYMJX-QJPTWQEYSA-N 2 1 223.364 0.846 20 0 BCADMP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC000647546844 384733320 /nfs/dbraw/zinc/73/33/20/384733320.db2.gz DHLZCDWZJQAELI-RVMXOQNASA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000647546641 384733506 /nfs/dbraw/zinc/73/35/06/384733506.db2.gz TUJVLDPSDZZTQA-SRVKXCTJSA-N 3 1 211.353 0.574 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647546788 384734036 /nfs/dbraw/zinc/73/40/36/384734036.db2.gz BEDZUIQJUJYMJX-SDDRHHMPSA-N 2 1 223.364 0.846 20 0 BCADMP CC(C)(N)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647547163 384737204 /nfs/dbraw/zinc/73/72/04/384737204.db2.gz PMEBJKVVWZXUQM-WDEREUQCSA-N 2 1 211.353 0.701 20 0 BCADMP CC(C)N1CCC[C@@H]([N@H+](C)C2CC([NH3+])C2)C1=O ZINC000334969249 384740498 /nfs/dbraw/zinc/74/04/98/384740498.db2.gz AZKIDNOYWBYIPQ-HTAVTVPLSA-N 2 1 239.363 0.807 20 0 BCADMP CC(C)N1CCC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1=O ZINC000334969249 384740508 /nfs/dbraw/zinc/74/05/08/384740508.db2.gz AZKIDNOYWBYIPQ-HTAVTVPLSA-N 2 1 239.363 0.807 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104928014 384740684 /nfs/dbraw/zinc/74/06/84/384740684.db2.gz NQAYHCWRGOSKSG-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCSCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126248303 384747822 /nfs/dbraw/zinc/74/78/22/384747822.db2.gz YCYZRTSYPZYEHX-AOOOYVTPSA-N 2 1 200.351 0.891 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156234 384749774 /nfs/dbraw/zinc/74/97/74/384749774.db2.gz KRSBHHPZMUYQFU-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000336212292 384768658 /nfs/dbraw/zinc/76/86/58/384768658.db2.gz KXXOBKCPDJSLGC-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336211962 384768933 /nfs/dbraw/zinc/76/89/33/384768933.db2.gz AJXVZAUUSYUTIK-GXSJLCMTSA-N 2 1 231.315 0.130 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCCn1ccnc1 ZINC000518200701 384789009 /nfs/dbraw/zinc/78/90/09/384789009.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 2 1 240.351 0.175 20 0 BCADMP C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000042436978 384793976 /nfs/dbraw/zinc/79/39/76/384793976.db2.gz NZPNYWGBPGLIFD-NSHDSACASA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000042436978 384793985 /nfs/dbraw/zinc/79/39/85/384793985.db2.gz NZPNYWGBPGLIFD-NSHDSACASA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+](CCn1cccn1)[C@H](CN)C1CC1 ZINC000126708121 384797500 /nfs/dbraw/zinc/79/75/00/384797500.db2.gz OSNQKEIRSBKAEF-LLVKDONJSA-N 2 1 208.309 0.552 20 0 BCADMP C[N@@H+](CCn1cccn1)[C@H](CN)C1CC1 ZINC000126708121 384797509 /nfs/dbraw/zinc/79/75/09/384797509.db2.gz OSNQKEIRSBKAEF-LLVKDONJSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648191166 384805404 /nfs/dbraw/zinc/80/54/04/384805404.db2.gz YIJSAHUOSVIUBU-LNFKQOIKSA-N 2 1 227.352 0.569 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000083883659 384807741 /nfs/dbraw/zinc/80/77/41/384807741.db2.gz FSNSYVFRRNBQPI-LLVKDONJSA-N 2 1 247.342 0.508 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000083883659 384807746 /nfs/dbraw/zinc/80/77/46/384807746.db2.gz FSNSYVFRRNBQPI-LLVKDONJSA-N 2 1 247.342 0.508 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000086271855 384870323 /nfs/dbraw/zinc/87/03/23/384870323.db2.gz JYLYXHZQSDMBBJ-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000557215102 384886013 /nfs/dbraw/zinc/88/60/13/384886013.db2.gz SDXRYAHBZCVJBZ-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@@H+]1CCn1ccnc1 ZINC000186372584 384840014 /nfs/dbraw/zinc/84/00/14/384840014.db2.gz JVGRDWDNWHGTMG-LBPRGKRZSA-N 2 1 237.303 0.911 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@H+]1CCn1ccnc1 ZINC000186372584 384840020 /nfs/dbraw/zinc/84/00/20/384840020.db2.gz JVGRDWDNWHGTMG-LBPRGKRZSA-N 2 1 237.303 0.911 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1ccnc1 ZINC000557151381 384846869 /nfs/dbraw/zinc/84/68/69/384846869.db2.gz FWCGSVDWFUOLTB-GHMZBOCLSA-N 2 1 236.319 0.434 20 0 BCADMP C[C@@H]1[C@@H](C)N(C(=O)Cn2ccnc2)CCN1C ZINC000557151381 384846875 /nfs/dbraw/zinc/84/68/75/384846875.db2.gz FWCGSVDWFUOLTB-GHMZBOCLSA-N 2 1 236.319 0.434 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000257362117 384923289 /nfs/dbraw/zinc/92/32/89/384923289.db2.gz AEXFFJPCAWSWDI-ZRUFSTJUSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000257744927 384925901 /nfs/dbraw/zinc/92/59/01/384925901.db2.gz DQVWIRSTXWFLEH-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423529766 385021016 /nfs/dbraw/zinc/02/10/16/385021016.db2.gz YDXCNLYOLUYRHG-RWMBFGLXSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194046 384973751 /nfs/dbraw/zinc/97/37/51/384973751.db2.gz QXWQPMHMAGQKTA-WSMDXJOWSA-N 2 1 212.337 0.924 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)O ZINC000564845140 384974568 /nfs/dbraw/zinc/97/45/68/384974568.db2.gz QAMLOZJHZAJDKB-UWVGGRQHSA-N 2 1 211.309 0.941 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226396537 385006472 /nfs/dbraw/zinc/00/64/72/385006472.db2.gz OMWRWJZMLODALI-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397559 385007379 /nfs/dbraw/zinc/00/73/79/385007379.db2.gz OSYZMYDNTGPFOO-ZDUSSCGKSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394896 385008662 /nfs/dbraw/zinc/00/86/62/385008662.db2.gz AUGYUSCLOPLOFF-ZYHUDNBSSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226399626 385009274 /nfs/dbraw/zinc/00/92/74/385009274.db2.gz XOAAQPXVQOIIHW-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000644632263 385047693 /nfs/dbraw/zinc/04/76/93/385047693.db2.gz INJYNGMZWMMDMD-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000646917148 385059208 /nfs/dbraw/zinc/05/92/08/385059208.db2.gz YLYFLQNXPHPMIS-AXFHLTTASA-N 2 1 225.336 0.099 20 0 BCADMP C[C@@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308753059 385069395 /nfs/dbraw/zinc/06/93/95/385069395.db2.gz FAHLLTDPSGHVOU-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646930740 385076599 /nfs/dbraw/zinc/07/65/99/385076599.db2.gz MPNUEIZVUMPPKE-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646930740 385076603 /nfs/dbraw/zinc/07/66/03/385076603.db2.gz MPNUEIZVUMPPKE-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646930740 385076613 /nfs/dbraw/zinc/07/66/13/385076613.db2.gz MPNUEIZVUMPPKE-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646956071 385085302 /nfs/dbraw/zinc/08/53/02/385085302.db2.gz STRQBHCYPNCXAA-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410627 385141399 /nfs/dbraw/zinc/14/13/99/385141399.db2.gz OWWCSQBRLBTKBL-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000157233242 385109213 /nfs/dbraw/zinc/10/92/13/385109213.db2.gz FPSIHERDYDAHMA-VXGBXAGGSA-N 2 1 237.347 0.435 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000157233242 385109217 /nfs/dbraw/zinc/10/92/17/385109217.db2.gz FPSIHERDYDAHMA-VXGBXAGGSA-N 2 1 237.347 0.435 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157266284 385132015 /nfs/dbraw/zinc/13/20/15/385132015.db2.gz OKLPOLJOSDOFNG-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000246240311 385134397 /nfs/dbraw/zinc/13/43/97/385134397.db2.gz IRUVMRXNIVMREM-GHMZBOCLSA-N 2 1 229.368 0.688 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157285244 385138381 /nfs/dbraw/zinc/13/83/81/385138381.db2.gz RVQLJQHGIVMJKA-JTQLQIEISA-N 2 1 213.325 0.276 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313011998 385139011 /nfs/dbraw/zinc/13/90/11/385139011.db2.gz ARAGFBGUMUPADO-NEPJUHHUSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000313011998 385139018 /nfs/dbraw/zinc/13/90/18/385139018.db2.gz ARAGFBGUMUPADO-NEPJUHHUSA-N 2 1 242.363 0.456 20 0 BCADMP Cn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404846512 385099501 /nfs/dbraw/zinc/09/95/01/385099501.db2.gz NXVWFZOUSKQFFG-ZJUUUORDSA-N 2 1 208.309 0.636 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCCCC2)C[C@@H]1[NH3+] ZINC000404846644 385099517 /nfs/dbraw/zinc/09/95/17/385099517.db2.gz PAKCEKYQLILJPF-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404846482 385103204 /nfs/dbraw/zinc/10/32/04/385103204.db2.gz NXVWFZOUSKQFFG-NXEZZACHSA-N 2 1 208.309 0.636 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@H+]1C ZINC000559872471 385202049 /nfs/dbraw/zinc/20/20/49/385202049.db2.gz YWIUPJCGHNAPEE-LOWDOPEQSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000647028332 385167217 /nfs/dbraw/zinc/16/72/17/385167217.db2.gz AUAKBOIFCLINBP-PWSUYJOCSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H](C[NH2+]Cc1cnn(C)c1)C[NH+](C)C ZINC000308814133 385180065 /nfs/dbraw/zinc/18/00/65/385180065.db2.gz AMUMCBQCWGJZHK-JTQLQIEISA-N 2 1 210.325 0.707 20 0 BCADMP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333138456 385210037 /nfs/dbraw/zinc/21/00/37/385210037.db2.gz CRHFCXFVPZVQMZ-NXEZZACHSA-N 2 1 240.351 0.130 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317093 385211742 /nfs/dbraw/zinc/21/17/42/385211742.db2.gz GPMUXKVDUVRRDM-TXEJJXNPSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)[NH3+] ZINC000647068260 385213335 /nfs/dbraw/zinc/21/33/35/385213335.db2.gz AEVCVTQSBFHHNA-IVZWLZJFSA-N 2 1 213.325 0.323 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573205 385215401 /nfs/dbraw/zinc/21/54/01/385215401.db2.gz OLHAURJSIMLMOQ-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000647068983 385215320 /nfs/dbraw/zinc/21/53/20/385215320.db2.gz HJJVJFQCMPGPHH-LURJTMIESA-N 2 1 228.321 0.069 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071556 385219361 /nfs/dbraw/zinc/21/93/61/385219361.db2.gz ORAFUDZFDCVNKC-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071556 385219370 /nfs/dbraw/zinc/21/93/70/385219370.db2.gz ORAFUDZFDCVNKC-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000647084069 385247028 /nfs/dbraw/zinc/24/70/28/385247028.db2.gz BOTKMXSKKHFODA-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC000647086014 385249437 /nfs/dbraw/zinc/24/94/37/385249437.db2.gz TYOBLXIPUIEHTN-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873088 385202754 /nfs/dbraw/zinc/20/27/54/385202754.db2.gz ZIRJAKPKAYOLEH-QNWHQSFQSA-N 2 1 242.363 0.456 20 0 BCADMP Cc1n[nH]cc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493251 385310595 /nfs/dbraw/zinc/31/05/95/385310595.db2.gz XHZKECRQDYHGDV-UHFFFAOYSA-N 2 1 237.351 0.055 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167429992 385314606 /nfs/dbraw/zinc/31/46/06/385314606.db2.gz YBYLBZCCQXIDPV-GHMZBOCLSA-N 2 1 200.326 0.687 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308965950 385319288 /nfs/dbraw/zinc/31/92/88/385319288.db2.gz VPNSDUZXPUMSRP-VHSXEESVSA-N 2 1 218.341 0.312 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000259333336 385284367 /nfs/dbraw/zinc/28/43/67/385284367.db2.gz XXMCUIARYQSBBY-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+][C@H](C)Cc1noc([C@H]2[NH2+]CC2(C)C)n1 ZINC000647142856 385294166 /nfs/dbraw/zinc/29/41/66/385294166.db2.gz NSKNYOVEFQLVME-VXNVDRBHSA-N 2 1 224.308 0.891 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178866984 385339698 /nfs/dbraw/zinc/33/96/98/385339698.db2.gz AEDKBIUBNWOWIL-YIZRAAEISA-N 2 1 211.309 0.075 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC000390486958 385343569 /nfs/dbraw/zinc/34/35/69/385343569.db2.gz OYHNLUMXCLMYAK-OUAUKWLOSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC000390486958 385343574 /nfs/dbraw/zinc/34/35/74/385343574.db2.gz OYHNLUMXCLMYAK-OUAUKWLOSA-N 2 1 227.352 0.441 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405231442 385389588 /nfs/dbraw/zinc/38/95/88/385389588.db2.gz AZZAPETUMHYVHN-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+]1C[C@H]2CCN(Cc3cnc[nH]3)[C@H]2C1 ZINC000644733728 385355134 /nfs/dbraw/zinc/35/51/34/385355134.db2.gz LHLXMPGXAYPOBS-KOLCDFICSA-N 2 1 206.293 0.546 20 0 BCADMP C[N@H+]1C[C@H]2CCN(Cc3cnc[nH]3)[C@H]2C1 ZINC000644733728 385355138 /nfs/dbraw/zinc/35/51/38/385355138.db2.gz LHLXMPGXAYPOBS-KOLCDFICSA-N 2 1 206.293 0.546 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000309048929 385382668 /nfs/dbraw/zinc/38/26/68/385382668.db2.gz PTJMEOKJEVVHGU-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309048929 385382674 /nfs/dbraw/zinc/38/26/74/385382674.db2.gz PTJMEOKJEVVHGU-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309048929 385382677 /nfs/dbraw/zinc/38/26/77/385382677.db2.gz PTJMEOKJEVVHGU-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000405227084 385385929 /nfs/dbraw/zinc/38/59/29/385385929.db2.gz OZIMAQHZKPGYHC-ZJUUUORDSA-N 2 1 225.336 0.228 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000309091933 385414346 /nfs/dbraw/zinc/41/43/46/385414346.db2.gz FAKNSMKMHLKODW-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000309091933 385414349 /nfs/dbraw/zinc/41/43/49/385414349.db2.gz FAKNSMKMHLKODW-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000309091933 385414350 /nfs/dbraw/zinc/41/43/50/385414350.db2.gz FAKNSMKMHLKODW-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000309091933 385414354 /nfs/dbraw/zinc/41/43/54/385414354.db2.gz FAKNSMKMHLKODW-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405283367 385453017 /nfs/dbraw/zinc/45/30/17/385453017.db2.gz CVHBBFJJOACPOZ-LPEHRKFASA-N 2 1 227.352 0.617 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000257675139 385485756 /nfs/dbraw/zinc/48/57/56/385485756.db2.gz HKVQMEPZRSGTNU-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000408062737 385493863 /nfs/dbraw/zinc/49/38/63/385493863.db2.gz ZYXNCLDZRASBTH-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000408062737 385493868 /nfs/dbraw/zinc/49/38/68/385493868.db2.gz ZYXNCLDZRASBTH-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000408062737 385493871 /nfs/dbraw/zinc/49/38/71/385493871.db2.gz ZYXNCLDZRASBTH-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000408062737 385493875 /nfs/dbraw/zinc/49/38/75/385493875.db2.gz ZYXNCLDZRASBTH-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOCC[NH3+] ZINC000302268413 385507352 /nfs/dbraw/zinc/50/73/52/385507352.db2.gz ABQCLXRQNRSLHK-JTQLQIEISA-N 2 1 245.367 0.197 20 0 BCADMP CC(C)[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[NH2+]1 ZINC000643029166 385524273 /nfs/dbraw/zinc/52/42/73/385524273.db2.gz KKMZUOPBJATNJU-LLVKDONJSA-N 2 1 248.330 0.615 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336676658 385604525 /nfs/dbraw/zinc/60/45/25/385604525.db2.gz PXUFASQDLQVTBI-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336676658 385604528 /nfs/dbraw/zinc/60/45/28/385604528.db2.gz PXUFASQDLQVTBI-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000334615531 385589861 /nfs/dbraw/zinc/58/98/61/385589861.db2.gz KHLKOOGNCZCFLW-VIFPVBQESA-N 3 1 233.306 0.573 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@@H](C)C[NH2+]C)CC1 ZINC000414850096 385630215 /nfs/dbraw/zinc/63/02/15/385630215.db2.gz YROXCPOIJDKQQW-NSHDSACASA-N 3 1 213.369 0.916 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644820552 385608169 /nfs/dbraw/zinc/60/81/69/385608169.db2.gz XPIXCAWIOGATKP-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000644820552 385608170 /nfs/dbraw/zinc/60/81/70/385608170.db2.gz XPIXCAWIOGATKP-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000644820552 385608175 /nfs/dbraw/zinc/60/81/75/385608175.db2.gz XPIXCAWIOGATKP-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054293019 385612097 /nfs/dbraw/zinc/61/20/97/385612097.db2.gz MBMVZPRGMOBATL-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000647792275 385675297 /nfs/dbraw/zinc/67/52/97/385675297.db2.gz YBVHVSKWWJOHLB-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C(CN1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309536538 385675985 /nfs/dbraw/zinc/67/59/85/385675985.db2.gz FLMIOWCQQKAOGD-OLZOCXBDSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309536538 385675989 /nfs/dbraw/zinc/67/59/89/385675989.db2.gz FLMIOWCQQKAOGD-OLZOCXBDSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309536538 385675993 /nfs/dbraw/zinc/67/59/93/385675993.db2.gz FLMIOWCQQKAOGD-OLZOCXBDSA-N 2 1 223.364 0.909 20 0 BCADMP C[C@H](C[NH2+]C1CCN(C)CC1)C[NH+](C)C ZINC000336685215 385683965 /nfs/dbraw/zinc/68/39/65/385683965.db2.gz KPGUCINXASEHKU-LLVKDONJSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCNC1=O ZINC000281863126 385710077 /nfs/dbraw/zinc/71/00/77/385710077.db2.gz APVLYKYKZHSQQO-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCNC1=O ZINC000281863126 385710079 /nfs/dbraw/zinc/71/00/79/385710079.db2.gz APVLYKYKZHSQQO-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414851775 385667763 /nfs/dbraw/zinc/66/77/63/385667763.db2.gz PQVPHMXUQRAQMT-QJPTWQEYSA-N 3 1 213.369 0.962 20 0 BCADMP C[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000184522758 385671058 /nfs/dbraw/zinc/67/10/58/385671058.db2.gz YUZGRLXTJGEYPP-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000647793556 385727490 /nfs/dbraw/zinc/72/74/90/385727490.db2.gz AGGMACDNZYFCAN-FVCCEPFGSA-N 2 1 240.347 0.522 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH3+])Cc1ccccc1 ZINC000263282065 385747661 /nfs/dbraw/zinc/74/76/61/385747661.db2.gz SFBQIIBJCSVEGO-UHFFFAOYSA-N 2 1 221.304 0.193 20 0 BCADMP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000647793558 385725956 /nfs/dbraw/zinc/72/59/56/385725956.db2.gz AGGMACDNZYFCAN-NDBYEHHHSA-N 2 1 240.347 0.522 20 0 BCADMP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH2+]C1CC1 ZINC000647799461 385800418 /nfs/dbraw/zinc/80/04/18/385800418.db2.gz HKZZVGDUEFPEEK-NTZNESFSSA-N 3 1 223.364 0.716 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414947730 385806609 /nfs/dbraw/zinc/80/66/09/385806609.db2.gz VWUWTUUPNIXTJG-NWDGAFQWSA-N 2 1 230.352 0.770 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000261726632 385827307 /nfs/dbraw/zinc/82/73/07/385827307.db2.gz NXEVUXAJTHMWIN-SNVBAGLBSA-N 2 1 234.303 0.838 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC[N@H+]1C ZINC000647807265 385858620 /nfs/dbraw/zinc/85/86/20/385858620.db2.gz ZWCZVYDYHVRCOX-XWIASGKRSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000647834341 385885657 /nfs/dbraw/zinc/88/56/57/385885657.db2.gz CHGXTINLMGGNFO-FBIMIBRVSA-N 2 1 225.336 0.180 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000647834342 385885725 /nfs/dbraw/zinc/88/57/25/385885725.db2.gz CHGXTINLMGGNFO-IEBDPFPHSA-N 2 1 225.336 0.180 20 0 BCADMP C[N@@H+](CCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000308984104 385928620 /nfs/dbraw/zinc/92/86/20/385928620.db2.gz GAEQBPGAOXOVRJ-UHFFFAOYSA-N 2 1 208.309 0.636 20 0 BCADMP CC(C)N1CCC[C@@H]([N@H+](C)CCC[NH3+])C1=O ZINC000647848092 385899511 /nfs/dbraw/zinc/89/95/11/385899511.db2.gz DDTMXULXCPVYRV-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP CC(C)N1CCC[C@@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000647848092 385899515 /nfs/dbraw/zinc/89/95/15/385899515.db2.gz DDTMXULXCPVYRV-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414965145 385911120 /nfs/dbraw/zinc/91/11/20/385911120.db2.gz NDMJNXWKJYOHKX-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1C ZINC000340467306 385861931 /nfs/dbraw/zinc/86/19/31/385861931.db2.gz GPFBCLRSVMELQK-LBPRGKRZSA-N 2 1 248.334 0.851 20 0 BCADMP CSCCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336720208 385862224 /nfs/dbraw/zinc/86/22/24/385862224.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 1 232.393 0.736 20 0 BCADMP CSCC[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000336720208 385862227 /nfs/dbraw/zinc/86/22/27/385862227.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 1 232.393 0.736 20 0 BCADMP CSCC[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000336720208 385862229 /nfs/dbraw/zinc/86/22/29/385862229.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 1 232.393 0.736 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647811304 385862680 /nfs/dbraw/zinc/86/26/80/385862680.db2.gz GAGUHFSRCZKASL-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP N[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647809310 385866433 /nfs/dbraw/zinc/86/64/33/385866433.db2.gz KAXTVMDHRUENGP-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP N[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647809310 385866437 /nfs/dbraw/zinc/86/64/37/385866437.db2.gz KAXTVMDHRUENGP-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647809310 385866445 /nfs/dbraw/zinc/86/64/45/385866445.db2.gz KAXTVMDHRUENGP-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647809310 385866451 /nfs/dbraw/zinc/86/64/51/385866451.db2.gz KAXTVMDHRUENGP-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@H+]1C ZINC000647817013 385870918 /nfs/dbraw/zinc/87/09/18/385870918.db2.gz YKRDRHOZAALQEW-KKOKHZNYSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647734672 385872973 /nfs/dbraw/zinc/87/29/73/385872973.db2.gz FWCMGSOJNLNTCF-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830516 385873094 /nfs/dbraw/zinc/87/30/94/385873094.db2.gz NBWYHVCQDGGOQT-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP [NH3+]Cc1ccc(C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000262689394 385874432 /nfs/dbraw/zinc/87/44/32/385874432.db2.gz FRJOUFMFVBVJPK-UHFFFAOYSA-N 2 1 243.257 0.469 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873533 385877115 /nfs/dbraw/zinc/87/71/15/385877115.db2.gz XWTDSQHGLPQKRB-SNVBAGLBSA-N 2 1 228.336 0.917 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000647836862 385882208 /nfs/dbraw/zinc/88/22/08/385882208.db2.gz MXRILZMJOXSWSK-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1C[C@H]1C ZINC000414125372 385975603 /nfs/dbraw/zinc/97/56/03/385975603.db2.gz QCYLBZDKAINJKN-DBIOUOCHSA-N 2 1 200.326 0.543 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414967941 385934091 /nfs/dbraw/zinc/93/40/91/385934091.db2.gz BYHFIRDISIHOGP-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414967940 385935082 /nfs/dbraw/zinc/93/50/82/385935082.db2.gz BYHFIRDISIHOGP-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043296 385935105 /nfs/dbraw/zinc/93/51/05/385935105.db2.gz VLMLGCUHIFUXTE-DGCLKSJQSA-N 3 1 225.380 0.916 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043298 385935260 /nfs/dbraw/zinc/93/52/60/385935260.db2.gz VLMLGCUHIFUXTE-YPMHNXCESA-N 3 1 225.380 0.916 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cn[nH]c1 ZINC000309012982 385935792 /nfs/dbraw/zinc/93/57/92/385935792.db2.gz PTJIZVFODFHWHR-GXSJLCMTSA-N 2 1 208.309 0.764 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417445386 385936300 /nfs/dbraw/zinc/93/63/00/385936300.db2.gz GQTBSFYOTDQONA-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP C[C@H](CO)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CO ZINC000342087817 385937545 /nfs/dbraw/zinc/93/75/45/385937545.db2.gz RGCLWSRWKRKAIN-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H](CO)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)CO ZINC000342087817 385937548 /nfs/dbraw/zinc/93/75/48/385937548.db2.gz RGCLWSRWKRKAIN-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H](CO)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)CO ZINC000342087817 385937554 /nfs/dbraw/zinc/93/75/54/385937554.db2.gz RGCLWSRWKRKAIN-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP CN1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924317 385950577 /nfs/dbraw/zinc/95/05/77/385950577.db2.gz XRIOYOQVHQMJEQ-VIFPVBQESA-N 2 1 211.309 0.030 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417448953 385951749 /nfs/dbraw/zinc/95/17/49/385951749.db2.gz WZUUAIQXGZDSAV-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417447081 385957142 /nfs/dbraw/zinc/95/71/42/385957142.db2.gz OHGYFFIFZAGSTM-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)N1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924980 385964042 /nfs/dbraw/zinc/96/40/42/385964042.db2.gz ZYBOZWYIRUFUII-NSHDSACASA-N 2 1 239.363 0.809 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000338348179 385973502 /nfs/dbraw/zinc/97/35/02/385973502.db2.gz MQCRIFCTISYYAC-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP CCC(CC)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414973295 386002702 /nfs/dbraw/zinc/00/27/02/386002702.db2.gz ZFBKNPAEOJHXJJ-GFCCVEGCSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000417458813 386011624 /nfs/dbraw/zinc/01/16/24/386011624.db2.gz IOLHKOPDHHKPPL-LLVKDONJSA-N 2 1 244.383 0.611 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000417460645 386012913 /nfs/dbraw/zinc/01/29/13/386012913.db2.gz KDIMRYFGGRJQQK-WDEREUQCSA-N 2 1 244.383 0.752 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976145 386014122 /nfs/dbraw/zinc/01/41/22/386014122.db2.gz NNTBGQNILUGIFR-LLVKDONJSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336770706 386015073 /nfs/dbraw/zinc/01/50/73/386015073.db2.gz WVINVMSISYELCG-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336770706 386015080 /nfs/dbraw/zinc/01/50/80/386015080.db2.gz WVINVMSISYELCG-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000236936364 259680082 /nfs/dbraw/zinc/68/00/82/259680082.db2.gz MFJJBKSXMMPTFK-NGZCFLSTSA-N 2 1 225.336 0.465 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000647968914 386110286 /nfs/dbraw/zinc/11/02/86/386110286.db2.gz BBZUDZKCCQPSNU-VXGBXAGGSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000647968914 386110292 /nfs/dbraw/zinc/11/02/92/386110292.db2.gz BBZUDZKCCQPSNU-VXGBXAGGSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000647968914 386110297 /nfs/dbraw/zinc/11/02/97/386110297.db2.gz BBZUDZKCCQPSNU-VXGBXAGGSA-N 2 1 246.395 0.638 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000647769960 386119054 /nfs/dbraw/zinc/11/90/54/386119054.db2.gz QEVWNNAZDMZEGB-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000334440384 386068992 /nfs/dbraw/zinc/06/89/92/386068992.db2.gz WRONTSSIYITCPX-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CN)CC[NH2+]1 ZINC000414655863 386081162 /nfs/dbraw/zinc/08/11/62/386081162.db2.gz HUABUNAIJXZJKE-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000345293101 386092911 /nfs/dbraw/zinc/09/29/11/386092911.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000345293101 386092916 /nfs/dbraw/zinc/09/29/16/386092916.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000345293101 386092920 /nfs/dbraw/zinc/09/29/20/386092920.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP COC(=O)c1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c[nH]1 ZINC000414887461 386093447 /nfs/dbraw/zinc/09/34/47/386093447.db2.gz DPIUWMZTFCNKED-JTQLQIEISA-N 2 1 237.303 0.628 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000414662524 386099802 /nfs/dbraw/zinc/09/98/02/386099802.db2.gz AGBICAHENZGLII-SRVKXCTJSA-N 3 1 223.364 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000334476056 386152982 /nfs/dbraw/zinc/15/29/82/386152982.db2.gz OLNYYAOQUAVMJR-CMPLNLGQSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334476056 386152986 /nfs/dbraw/zinc/15/29/86/386152986.db2.gz OLNYYAOQUAVMJR-CMPLNLGQSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334476056 386152990 /nfs/dbraw/zinc/15/29/90/386152990.db2.gz OLNYYAOQUAVMJR-CMPLNLGQSA-N 2 1 237.347 0.434 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677803 386157018 /nfs/dbraw/zinc/15/70/18/386157018.db2.gz JTFVWQXOFBKMNZ-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@]1(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000414993206 386166251 /nfs/dbraw/zinc/16/62/51/386166251.db2.gz CGJQVYHPTYOMMR-MNOVXSKESA-N 3 1 247.333 0.820 20 0 BCADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCO1 ZINC000346145109 386168222 /nfs/dbraw/zinc/16/82/22/386168222.db2.gz UPSWJRVPZKDMBZ-UPJWGTAASA-N 2 1 244.379 0.702 20 0 BCADMP CC[C@H]([NH3+])c1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000310315110 386173468 /nfs/dbraw/zinc/17/34/68/386173468.db2.gz XIFFNPRRHJPJGR-UWVGGRQHSA-N 2 1 241.339 0.001 20 0 BCADMP CC[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414686444 386175629 /nfs/dbraw/zinc/17/56/29/386175629.db2.gz ASKIFPKYIXTLNG-MNOVXSKESA-N 2 1 228.336 0.869 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000414688692 386177380 /nfs/dbraw/zinc/17/73/80/386177380.db2.gz DWACUVFIEZIVBT-LLVKDONJSA-N 2 1 208.309 0.869 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000414688693 386177443 /nfs/dbraw/zinc/17/74/43/386177443.db2.gz DWACUVFIEZIVBT-NSHDSACASA-N 2 1 208.309 0.869 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000310379983 386180113 /nfs/dbraw/zinc/18/01/13/386180113.db2.gz BFCPWOVRGNCWOM-VXGBXAGGSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000310379983 386180119 /nfs/dbraw/zinc/18/01/19/386180119.db2.gz BFCPWOVRGNCWOM-VXGBXAGGSA-N 2 1 241.379 0.973 20 0 BCADMP CNC(=O)CC[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414691217 386184479 /nfs/dbraw/zinc/18/44/79/386184479.db2.gz JIEZKNCZHARJNK-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414691217 386184481 /nfs/dbraw/zinc/18/44/81/386184481.db2.gz JIEZKNCZHARJNK-SNVBAGLBSA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690770 386185297 /nfs/dbraw/zinc/18/52/97/386185297.db2.gz NSUQSTWIHRODOZ-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414669469 386129070 /nfs/dbraw/zinc/12/90/70/386129070.db2.gz BKRFUSNCIMTXQO-GRYCIOLGSA-N 2 1 240.347 0.869 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674603 386141729 /nfs/dbraw/zinc/14/17/29/386141729.db2.gz KTMATUWTDPWKNR-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414891739 386141766 /nfs/dbraw/zinc/14/17/66/386141766.db2.gz WWNDESOMUPWAEZ-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[N@@H+](CCNC(=O)CCc1ncc[nH]1)C1CC1 ZINC000287693912 386142063 /nfs/dbraw/zinc/14/20/63/386142063.db2.gz ZONXIMZJPVYHLY-UHFFFAOYSA-N 2 1 236.319 0.553 20 0 BCADMP COC(=O)CC[N@@H+](CCC[NH3+])C(C)C ZINC000414697031 386203133 /nfs/dbraw/zinc/20/31/33/386203133.db2.gz POMCTYDIWLDCHL-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP C[C@H]1CN(CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000346980573 386204045 /nfs/dbraw/zinc/20/40/45/386204045.db2.gz LZZJIFJLCJDXJO-NWDGAFQWSA-N 2 1 241.379 0.376 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131509708 386210290 /nfs/dbraw/zinc/21/02/90/386210290.db2.gz RQYDUFDXBXIRNG-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000417507732 386211192 /nfs/dbraw/zinc/21/11/92/386211192.db2.gz OHJPWCFCRWWESP-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882929 386233469 /nfs/dbraw/zinc/23/34/69/386233469.db2.gz PZMRLLBTCIYKRA-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882929 386233471 /nfs/dbraw/zinc/23/34/71/386233471.db2.gz PZMRLLBTCIYKRA-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873253 386258260 /nfs/dbraw/zinc/25/82/60/386258260.db2.gz HFNDKUBMEPMVOU-UTUOFQBUSA-N 2 1 239.363 0.713 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694715 386193606 /nfs/dbraw/zinc/19/36/06/386193606.db2.gz DQMGTCHPBOYWDU-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647988104 386292479 /nfs/dbraw/zinc/29/24/79/386292479.db2.gz OKJMFVOEDKWDLO-MNOVXSKESA-N 3 1 211.353 0.574 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647988106 386292857 /nfs/dbraw/zinc/29/28/57/386292857.db2.gz OKJMFVOEDKWDLO-WDEREUQCSA-N 3 1 211.353 0.574 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236647954 386296596 /nfs/dbraw/zinc/29/65/96/386296596.db2.gz FNKZGGQGDWXPEG-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739966 386315872 /nfs/dbraw/zinc/31/58/72/386315872.db2.gz CNUMLXHXAJGXRF-NTZNESFSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336670414 386316025 /nfs/dbraw/zinc/31/60/25/386316025.db2.gz GQCHMTOWOYCCJO-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004084 386317789 /nfs/dbraw/zinc/31/77/89/386317789.db2.gz LFPWFBTZUGEKSG-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP COC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000369956704 386386261 /nfs/dbraw/zinc/38/62/61/386386261.db2.gz DDTZBRHSNCCWED-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP COC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000369956704 386386268 /nfs/dbraw/zinc/38/62/68/386386268.db2.gz DDTZBRHSNCCWED-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP COC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277604 386343184 /nfs/dbraw/zinc/34/31/84/386343184.db2.gz KCSYKAVMENYUGV-JTQLQIEISA-N 2 1 226.320 0.623 20 0 BCADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888062 386344422 /nfs/dbraw/zinc/34/44/22/386344422.db2.gz GNJPLDMKAVLXPD-RKDXNWHRSA-N 2 1 238.253 0.595 20 0 BCADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647888062 386344426 /nfs/dbraw/zinc/34/44/26/386344426.db2.gz GNJPLDMKAVLXPD-RKDXNWHRSA-N 2 1 238.253 0.595 20 0 BCADMP O[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888061 386344870 /nfs/dbraw/zinc/34/48/70/386344870.db2.gz GNJPLDMKAVLXPD-IUCAKERBSA-N 2 1 238.253 0.595 20 0 BCADMP O[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888061 386344874 /nfs/dbraw/zinc/34/48/74/386344874.db2.gz GNJPLDMKAVLXPD-IUCAKERBSA-N 2 1 238.253 0.595 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336683205 386345536 /nfs/dbraw/zinc/34/55/36/386345536.db2.gz JPNQICYHIAHXNE-NWDGAFQWSA-N 2 1 214.353 0.887 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417552509 386358165 /nfs/dbraw/zinc/35/81/65/386358165.db2.gz RLORQQOLYMAAOS-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989568 386359707 /nfs/dbraw/zinc/35/97/07/386359707.db2.gz GFKUMUWPUBJHRK-GHMZBOCLSA-N 2 1 221.308 0.134 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347375113 386371036 /nfs/dbraw/zinc/37/10/36/386371036.db2.gz SPEAVMQJCKTBCH-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000112926165 386371059 /nfs/dbraw/zinc/37/10/59/386371059.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000112926165 386371066 /nfs/dbraw/zinc/37/10/66/386371066.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000112926165 386371072 /nfs/dbraw/zinc/37/10/72/386371072.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262566396 386331458 /nfs/dbraw/zinc/33/14/58/386331458.db2.gz DIJJLRJPVZJVGB-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414743552 386336618 /nfs/dbraw/zinc/33/66/18/386336618.db2.gz HIDLTOBFFYLGOG-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC[NH2+]CC ZINC000417609660 386444034 /nfs/dbraw/zinc/44/40/34/386444034.db2.gz LRZNPVRFBGNINM-UHFFFAOYSA-N 2 1 244.383 0.627 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855383 386448909 /nfs/dbraw/zinc/44/89/09/386448909.db2.gz USSHNDXEMKEBBY-SNVBAGLBSA-N 2 1 222.292 0.045 20 0 BCADMP CC[N@H+](CCOCCO)CCn1cc[nH+]c1C ZINC000281887562 386395888 /nfs/dbraw/zinc/39/58/88/386395888.db2.gz AQDKQCWKXFLDKL-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP CC[N@@H+](CCOCCO)CCn1cc[nH+]c1C ZINC000281887562 386395893 /nfs/dbraw/zinc/39/58/93/386395893.db2.gz AQDKQCWKXFLDKL-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP C[C@@H](CNC(=O)CCC[NH3+])[N@@H+](C)C1CC1 ZINC000226399587 386396100 /nfs/dbraw/zinc/39/61/00/386396100.db2.gz PLOZGIAOCOWOHE-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP COC[C@@H]1C[N@@H+](CCc2cncn2C)CCO1 ZINC000290156599 386400990 /nfs/dbraw/zinc/40/09/90/386400990.db2.gz XCSSECXTXZXAPV-LBPRGKRZSA-N 2 1 239.319 0.310 20 0 BCADMP COC[C@@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000290156599 386400996 /nfs/dbraw/zinc/40/09/96/386400996.db2.gz XCSSECXTXZXAPV-LBPRGKRZSA-N 2 1 239.319 0.310 20 0 BCADMP COCCC[N@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414758963 386407042 /nfs/dbraw/zinc/40/70/42/386407042.db2.gz VVOPGFCTUIVRQS-GFCCVEGCSA-N 2 1 232.368 0.691 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414758963 386407047 /nfs/dbraw/zinc/40/70/47/386407047.db2.gz VVOPGFCTUIVRQS-GFCCVEGCSA-N 2 1 232.368 0.691 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760227 386412720 /nfs/dbraw/zinc/41/27/20/386412720.db2.gz GUUMQBUJJWONIS-DDHJBXDOSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000414760227 386412722 /nfs/dbraw/zinc/41/27/22/386412722.db2.gz GUUMQBUJJWONIS-DDHJBXDOSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000414760227 386412726 /nfs/dbraw/zinc/41/27/26/386412726.db2.gz GUUMQBUJJWONIS-DDHJBXDOSA-N 2 1 211.353 0.654 20 0 BCADMP CCOCC[N@H+]1CCN(C[C@H](C)[NH3+])C[C@@H]1CC ZINC000442664857 386415739 /nfs/dbraw/zinc/41/57/39/386415739.db2.gz XMSGEIHRKMWOCC-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP C[C@H]([NH3+])CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000442665602 386417238 /nfs/dbraw/zinc/41/72/38/386417238.db2.gz NEPYRVYGHWWYAT-RYUDHWBXSA-N 2 1 241.379 0.519 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH3+])[C@@H]1C ZINC000414761982 386420715 /nfs/dbraw/zinc/42/07/15/386420715.db2.gz VEHRTEGNMJMTSK-BDAKNGLRSA-N 2 1 200.282 0.219 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134557194 386424130 /nfs/dbraw/zinc/42/41/30/386424130.db2.gz FNYPHAAYWYUUIC-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557171 386424299 /nfs/dbraw/zinc/42/42/99/386424299.db2.gz FNYPHAAYWYUUIC-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000519402957 386430013 /nfs/dbraw/zinc/43/00/13/386430013.db2.gz MGPLAEDULRTXIL-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000417245900 386466407 /nfs/dbraw/zinc/46/64/07/386466407.db2.gz ZQUZTGMOWWRBKG-NSHDSACASA-N 2 1 242.367 0.366 20 0 BCADMP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000299569256 386467610 /nfs/dbraw/zinc/46/76/10/386467610.db2.gz TYPWTGDRTDZLPE-MNOVXSKESA-N 2 1 236.319 0.482 20 0 BCADMP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C ZINC000299569256 386467614 /nfs/dbraw/zinc/46/76/14/386467614.db2.gz TYPWTGDRTDZLPE-MNOVXSKESA-N 2 1 236.319 0.482 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417276949 386470280 /nfs/dbraw/zinc/47/02/80/386470280.db2.gz FOCFDDOHPOSSAH-LPEHRKFASA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000417276948 386470381 /nfs/dbraw/zinc/47/03/81/386470381.db2.gz FOCFDDOHPOSSAH-IVZWLZJFSA-N 2 1 228.340 0.116 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417284980 386474117 /nfs/dbraw/zinc/47/41/17/386474117.db2.gz KUNOOZNLAPPUAP-WDEREUQCSA-N 2 1 242.367 0.363 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417285368 386476429 /nfs/dbraw/zinc/47/64/29/386476429.db2.gz LKMCPDMLGXTMTR-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c[nH]1 ZINC000415010698 386477743 /nfs/dbraw/zinc/47/77/43/386477743.db2.gz PTJDGRMSRMHAJA-YUMQZZPRSA-N 2 1 225.292 0.627 20 0 BCADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c[nH]1 ZINC000415010696 386478405 /nfs/dbraw/zinc/47/84/05/386478405.db2.gz PTJDGRMSRMHAJA-SFYZADRCSA-N 2 1 225.292 0.627 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335432889 386490617 /nfs/dbraw/zinc/49/06/17/386490617.db2.gz FEQXBBBEZXQELS-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]CCC1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000519609404 386505263 /nfs/dbraw/zinc/50/52/63/386505263.db2.gz LGKJJWVQNXQGDZ-JTQLQIEISA-N 2 1 243.376 0.236 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415020030 386508805 /nfs/dbraw/zinc/50/88/05/386508805.db2.gz APZXROIHRNQVDO-BNDIWNMDSA-N 2 1 223.364 0.524 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447619 386514552 /nfs/dbraw/zinc/51/45/52/386514552.db2.gz FGVNDUHRSHXJBX-GHMZBOCLSA-N 3 1 209.337 0.409 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447619 386514557 /nfs/dbraw/zinc/51/45/57/386514557.db2.gz FGVNDUHRSHXJBX-GHMZBOCLSA-N 3 1 209.337 0.409 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516318 /nfs/dbraw/zinc/51/63/18/386516318.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517132 /nfs/dbraw/zinc/51/71/32/386517132.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 1 208.309 0.889 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449150 386517654 /nfs/dbraw/zinc/51/76/54/386517654.db2.gz WCVNRUGOXJKJSM-QWRGUYRKSA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449150 386517658 /nfs/dbraw/zinc/51/76/58/386517658.db2.gz WCVNRUGOXJKJSM-QWRGUYRKSA-N 3 1 209.337 0.267 20 0 BCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[NH3+] ZINC000347662150 386460019 /nfs/dbraw/zinc/46/00/19/386460019.db2.gz ZAIZUMLYDRRWMH-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP C[C@H](CNC(=O)C1(C)C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000399222746 386460562 /nfs/dbraw/zinc/46/05/62/386460562.db2.gz WNSLAGJOLIZJRM-SECBINFHSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403709 386464297 /nfs/dbraw/zinc/46/42/97/386464297.db2.gz HOZUDCICINUDKJ-AEJSXWLSSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905023 386584190 /nfs/dbraw/zinc/58/41/90/386584190.db2.gz LLTMALKATFMWDJ-UTUOFQBUSA-N 2 1 211.353 0.655 20 0 BCADMP CC[C@H]1C[C@@H](C[N@H+](CCN)CCO)CCO1 ZINC000414917251 386530860 /nfs/dbraw/zinc/53/08/60/386530860.db2.gz VNRRUSQQODZACI-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@@H](C[N@@H+](CCN)CCO)CCO1 ZINC000414917251 386530861 /nfs/dbraw/zinc/53/08/61/386530861.db2.gz VNRRUSQQODZACI-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@@H](C[N@H+](CC[NH3+])CCO)CCO1 ZINC000414917251 386530865 /nfs/dbraw/zinc/53/08/65/386530865.db2.gz VNRRUSQQODZACI-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H]1C[C@@H](C[N@@H+](CC[NH3+])CCO)CCO1 ZINC000414917251 386530868 /nfs/dbraw/zinc/53/08/68/386530868.db2.gz VNRRUSQQODZACI-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@H+](CCN)CCO)CCO1 ZINC000414917250 386531882 /nfs/dbraw/zinc/53/18/82/386531882.db2.gz VNRRUSQQODZACI-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@@H+](CCN)CCO)CCO1 ZINC000414917250 386531888 /nfs/dbraw/zinc/53/18/88/386531888.db2.gz VNRRUSQQODZACI-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@H+](CC[NH3+])CCO)CCO1 ZINC000414917250 386531896 /nfs/dbraw/zinc/53/18/96/386531896.db2.gz VNRRUSQQODZACI-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@@H+](CC[NH3+])CCO)CCO1 ZINC000414917250 386531905 /nfs/dbraw/zinc/53/19/05/386531905.db2.gz VNRRUSQQODZACI-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910528 386532030 /nfs/dbraw/zinc/53/20/30/386532030.db2.gz VCFVIRFWTYHUAN-LBPRGKRZSA-N 2 1 225.336 0.196 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000647995207 386544193 /nfs/dbraw/zinc/54/41/93/386544193.db2.gz FMLHHKZPTUHFEU-NWDGAFQWSA-N 2 1 235.335 0.525 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000335464751 386550689 /nfs/dbraw/zinc/55/06/89/386550689.db2.gz METUWCLVXVMRKB-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@]1(C[NH2+]CCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000415067933 386552737 /nfs/dbraw/zinc/55/27/37/386552737.db2.gz LRNRWBVKFCBAOI-LBPRGKRZSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018118 386555456 /nfs/dbraw/zinc/55/54/56/386555456.db2.gz UZTIIHPDGZEECP-NWDGAFQWSA-N 2 1 236.363 0.879 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335467174 386555763 /nfs/dbraw/zinc/55/57/63/386555763.db2.gz AJXVZAUUSYUTIK-KOLCDFICSA-N 2 1 231.315 0.130 20 0 BCADMP C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000061995840 386558523 /nfs/dbraw/zinc/55/85/23/386558523.db2.gz CYFLLLDWWVUAQS-UHFFFAOYSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(=O)NC ZINC000453396281 386568724 /nfs/dbraw/zinc/56/87/24/386568724.db2.gz HLEZKGKFEDEPSO-FIQHERPVSA-N 2 1 241.379 0.829 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)NC ZINC000453396281 386568726 /nfs/dbraw/zinc/56/87/26/386568726.db2.gz HLEZKGKFEDEPSO-FIQHERPVSA-N 2 1 241.379 0.829 20 0 BCADMP COC(=O)C1(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415105637 386624815 /nfs/dbraw/zinc/62/48/15/386624815.db2.gz MUKHFRKOYOMKCC-VIFPVBQESA-N 2 1 212.293 0.281 20 0 BCADMP COC(=O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415121042 386631474 /nfs/dbraw/zinc/63/14/74/386631474.db2.gz YVIDKWIAMGHILE-NXEZZACHSA-N 2 1 228.336 0.916 20 0 BCADMP CC(=O)N1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000179312677 386635380 /nfs/dbraw/zinc/63/53/80/386635380.db2.gz FWACLBBEBVIIIT-UHFFFAOYSA-N 2 1 236.319 0.437 20 0 BCADMP COC(=O)[C@]1(C)CCC[N@@H+](CCC[NH3+])C1 ZINC000415139578 386636661 /nfs/dbraw/zinc/63/66/61/386636661.db2.gz LSCVVYKIYVWPQA-LLVKDONJSA-N 2 1 214.309 0.610 20 0 BCADMP C[C@@H](O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143272 386639640 /nfs/dbraw/zinc/63/96/40/386639640.db2.gz SMZHTHSANMEWOX-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343248539 386659694 /nfs/dbraw/zinc/65/96/94/386659694.db2.gz INYHCEMPTSUSBC-YNEHKIRRSA-N 2 1 242.363 0.770 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520508 386659907 /nfs/dbraw/zinc/65/99/07/386659907.db2.gz FJEFBDXMHUYBQV-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC[NH2+]CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414820100 386666304 /nfs/dbraw/zinc/66/63/04/386666304.db2.gz AGQRECWRYOKHSO-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000357081443 386709739 /nfs/dbraw/zinc/70/97/39/386709739.db2.gz GWHNSGZFPYLPKB-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@]1(CNCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000414926955 386685330 /nfs/dbraw/zinc/68/53/30/386685330.db2.gz KHTBDRYGSPIALP-QMMMGPOBSA-N 2 1 207.268 0.170 20 0 BCADMP CC[C@]1(C(=O)NCC[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000122094467 386734789 /nfs/dbraw/zinc/73/47/89/386734789.db2.gz NRFQOGPUQCOZPI-CYBMUJFWSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)N1CCC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000335541276 386722510 /nfs/dbraw/zinc/72/25/10/386722510.db2.gz VMVWXKBZBKENJM-GFCCVEGCSA-N 2 1 239.363 0.809 20 0 BCADMP CC[N@@H+]1CC[C@@H](NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000414928781 386725736 /nfs/dbraw/zinc/72/57/36/386725736.db2.gz MXHBCBJWVGUIMI-NXEZZACHSA-N 2 1 235.322 0.900 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000414928781 386725740 /nfs/dbraw/zinc/72/57/40/386725740.db2.gz MXHBCBJWVGUIMI-NXEZZACHSA-N 2 1 235.322 0.900 20 0 BCADMP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414842041 386748917 /nfs/dbraw/zinc/74/89/17/386748917.db2.gz OSSLPOQBMOSACT-RYUDHWBXSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000357348658 386765416 /nfs/dbraw/zinc/76/54/16/386765416.db2.gz RFWCKDHJKZSUEW-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC(C)(C)C ZINC000122300785 386742185 /nfs/dbraw/zinc/74/21/85/386742185.db2.gz JJCLQBFMQPVZNM-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC(C)(C)C ZINC000122300785 386742194 /nfs/dbraw/zinc/74/21/94/386742194.db2.gz JJCLQBFMQPVZNM-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP c1ccc2c(c1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000020179793 386791357 /nfs/dbraw/zinc/79/13/57/386791357.db2.gz ZDDZSGPFZVVBBQ-UHFFFAOYSA-N 2 1 245.370 0.950 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417814188 386782819 /nfs/dbraw/zinc/78/28/19/386782819.db2.gz NDBIMNAXTCVFTE-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000417805569 386788172 /nfs/dbraw/zinc/78/81/72/386788172.db2.gz HLIRWFGMKSOGHQ-HTQZYQBOSA-N 2 1 235.278 0.085 20 0 BCADMP CC(C)(C)[NH2+]CCNCC[C@@H]1CC[NH2+]C1 ZINC000414845256 386797651 /nfs/dbraw/zinc/79/76/51/386797651.db2.gz FUEDZVDWZWQPOD-LLVKDONJSA-N 2 1 213.369 0.964 20 0 BCADMP CC(C)(C)NCC[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414845256 386797654 /nfs/dbraw/zinc/79/76/54/386797654.db2.gz FUEDZVDWZWQPOD-LLVKDONJSA-N 2 1 213.369 0.964 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@H+]1C ZINC000417995311 386803124 /nfs/dbraw/zinc/80/31/24/386803124.db2.gz DCIWVOPFYACCMP-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@H+]1C1CC1 ZINC000417859696 386804996 /nfs/dbraw/zinc/80/49/96/386804996.db2.gz SKEBKSSPYCZGOR-NXEZZACHSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@H+]1C ZINC000417997359 386806478 /nfs/dbraw/zinc/80/64/78/386806478.db2.gz FTOXZAYBIPPEPS-MWLCHTKSSA-N 2 1 240.351 0.082 20 0 BCADMP CCN(CC[NH3+])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638517254 386807086 /nfs/dbraw/zinc/80/70/86/386807086.db2.gz RVPLLURUAHNWGT-UHFFFAOYSA-N 2 1 229.368 0.772 20 0 BCADMP CO[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000395326610 386814050 /nfs/dbraw/zinc/81/40/50/386814050.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000395326610 386814056 /nfs/dbraw/zinc/81/40/56/386814056.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000395326610 386814063 /nfs/dbraw/zinc/81/40/63/386814063.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000395326610 386814065 /nfs/dbraw/zinc/81/40/65/386814065.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000395326610 386814071 /nfs/dbraw/zinc/81/40/71/386814071.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336670723 386814076 /nfs/dbraw/zinc/81/40/76/386814076.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336670723 386814078 /nfs/dbraw/zinc/81/40/78/386814078.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCC1)C1CC1 ZINC000336670723 386814083 /nfs/dbraw/zinc/81/40/83/386814083.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCC1)C1CC1 ZINC000336670723 386814088 /nfs/dbraw/zinc/81/40/88/386814088.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)C)CCN1C ZINC000357725771 386833933 /nfs/dbraw/zinc/83/39/33/386833933.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)C)CC[N@@H+]1C ZINC000357725771 386833939 /nfs/dbraw/zinc/83/39/39/386833939.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)C)CC[N@H+]1C ZINC000357725771 386833943 /nfs/dbraw/zinc/83/39/43/386833943.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725771 386833946 /nfs/dbraw/zinc/83/39/46/386833946.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725771 386833948 /nfs/dbraw/zinc/83/39/48/386833948.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCN(C)C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357734075 386835832 /nfs/dbraw/zinc/83/58/32/386835832.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[NH3+])n1 ZINC000414936230 386836573 /nfs/dbraw/zinc/83/65/73/386836573.db2.gz BTSGSCSKPZQHJO-UWVGGRQHSA-N 2 1 223.320 0.958 20 0 BCADMP C[N@H+](Cc1cccc(C(N)=O)c1)C1CC([NH3+])C1 ZINC000395071305 386845878 /nfs/dbraw/zinc/84/58/78/386845878.db2.gz RVRQJOUHOAWHAY-UHFFFAOYSA-N 2 1 233.315 0.707 20 0 BCADMP C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC([NH3+])C1 ZINC000395071305 386845882 /nfs/dbraw/zinc/84/58/82/386845882.db2.gz RVRQJOUHOAWHAY-UHFFFAOYSA-N 2 1 233.315 0.707 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336744574 386867569 /nfs/dbraw/zinc/86/75/69/386867569.db2.gz QGCNOMIIBLSEFB-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000335746678 386869866 /nfs/dbraw/zinc/86/98/66/386869866.db2.gz BCMAZOAMYOTUEV-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000335746678 386869872 /nfs/dbraw/zinc/86/98/72/386869872.db2.gz BCMAZOAMYOTUEV-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919288 386872384 /nfs/dbraw/zinc/87/23/84/386872384.db2.gz MWTGIGVPRXBLSR-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CCN1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000335767218 386909502 /nfs/dbraw/zinc/90/95/02/386909502.db2.gz IFTDRFMQKVVONG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331821201 386911733 /nfs/dbraw/zinc/91/17/33/386911733.db2.gz ZGUDSWHAQZDEOW-FXPVBKGRSA-N 2 1 240.351 0.116 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000341521258 386920690 /nfs/dbraw/zinc/92/06/90/386920690.db2.gz XWIQDKFHRDAXJD-RYUDHWBXSA-N 2 1 241.379 0.642 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000358257769 386921852 /nfs/dbraw/zinc/92/18/52/386921852.db2.gz SJUDUDAIVGXOPA-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000358257769 386921857 /nfs/dbraw/zinc/92/18/57/386921857.db2.gz SJUDUDAIVGXOPA-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000358264037 386923356 /nfs/dbraw/zinc/92/33/56/386923356.db2.gz YBUAZZRSTFDXJM-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000358264037 386923361 /nfs/dbraw/zinc/92/33/61/386923361.db2.gz YBUAZZRSTFDXJM-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358271268 386925971 /nfs/dbraw/zinc/92/59/71/386925971.db2.gz XPTISAAVMXJPBZ-WXHSDQCUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358271268 386925976 /nfs/dbraw/zinc/92/59/76/386925976.db2.gz XPTISAAVMXJPBZ-WXHSDQCUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000518990834 386975353 /nfs/dbraw/zinc/97/53/53/386975353.db2.gz SONIKZUUODTDRB-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358730589 387004007 /nfs/dbraw/zinc/00/40/07/387004007.db2.gz BMMFCYATLNBGLR-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358730589 387004009 /nfs/dbraw/zinc/00/40/09/387004009.db2.gz BMMFCYATLNBGLR-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822827 386952079 /nfs/dbraw/zinc/95/20/79/386952079.db2.gz XGSITQYDKWAAFW-PWSUYJOCSA-N 3 1 211.353 0.716 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334953654 387030733 /nfs/dbraw/zinc/03/07/33/387030733.db2.gz SNSRZQIKVRHTDA-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000399007718 387035764 /nfs/dbraw/zinc/03/57/64/387035764.db2.gz AJERVSFEQOCCCI-LBPRGKRZSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000070074148 387043729 /nfs/dbraw/zinc/04/37/29/387043729.db2.gz OBBDDPNLCFBSST-ZDUSSCGKSA-N 2 1 241.379 0.379 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCOCC1 ZINC000336764103 387043902 /nfs/dbraw/zinc/04/39/02/387043902.db2.gz PYDDFLKXVOHMJA-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333600301 387045740 /nfs/dbraw/zinc/04/57/40/387045740.db2.gz QHPPHXHZVMXITO-QJPTWQEYSA-N 2 1 211.353 0.846 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079625 387055878 /nfs/dbraw/zinc/05/58/78/387055878.db2.gz RGBJSPIUJZSCNR-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH3+])CC1 ZINC000418036594 387063585 /nfs/dbraw/zinc/06/35/85/387063585.db2.gz YVDYPFMAUKGIRJ-UHFFFAOYSA-N 2 1 240.351 0.286 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000519139101 387018066 /nfs/dbraw/zinc/01/80/66/387018066.db2.gz VBRYWYIXOULQAK-LBPRGKRZSA-N 2 1 223.364 0.668 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070316060 387066020 /nfs/dbraw/zinc/06/60/20/387066020.db2.gz YFWHQBORIHQALT-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000053298560 387022178 /nfs/dbraw/zinc/02/21/78/387022178.db2.gz LPSMTSLIDDNNDR-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000333241108 387022642 /nfs/dbraw/zinc/02/26/42/387022642.db2.gz DXKCCZZFZKISFM-GMXVVIOVSA-N 2 1 239.363 0.775 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000053299193 387022903 /nfs/dbraw/zinc/02/29/03/387022903.db2.gz KTODAHDNVYIWQH-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648105654 387025179 /nfs/dbraw/zinc/02/51/79/387025179.db2.gz PAUZPEHVNUMZHC-WISYIIOYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333337844 387028062 /nfs/dbraw/zinc/02/80/62/387028062.db2.gz XKPBWOKEEGXTJU-WCQGTBRESA-N 2 1 234.347 0.997 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000333339485 387028211 /nfs/dbraw/zinc/02/82/11/387028211.db2.gz XSYRGSXXDUDTIY-DMDPSCGWSA-N 2 1 239.363 0.775 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982170 387070676 /nfs/dbraw/zinc/07/06/76/387070676.db2.gz YVQHNBHDASUHBK-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H](CO)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766766 387072019 /nfs/dbraw/zinc/07/20/19/387072019.db2.gz OROGFPDSAAVXBO-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@@H](CO)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766766 387072025 /nfs/dbraw/zinc/07/20/25/387072025.db2.gz OROGFPDSAAVXBO-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423298883 387130469 /nfs/dbraw/zinc/13/04/69/387130469.db2.gz PBNSMVKWDBINEI-UHFFFAOYSA-N 2 1 225.336 0.280 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995257 387085696 /nfs/dbraw/zinc/08/56/96/387085696.db2.gz YNWKQWJRBKSSLJ-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995257 387085699 /nfs/dbraw/zinc/08/56/99/387085699.db2.gz YNWKQWJRBKSSLJ-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427476 387091051 /nfs/dbraw/zinc/09/10/51/387091051.db2.gz JCUVMXKRIYZZJO-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000417427894 387100379 /nfs/dbraw/zinc/10/03/79/387100379.db2.gz JWHYFCHNVGAVDC-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000071378477 387101772 /nfs/dbraw/zinc/10/17/72/387101772.db2.gz PFJSVJWMXCLJFZ-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOC1 ZINC000228662176 387105437 /nfs/dbraw/zinc/10/54/37/387105437.db2.gz NQTRJQNIMDKNRJ-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CCOC[C@@H]1C ZINC000359485267 387110959 /nfs/dbraw/zinc/11/09/59/387110959.db2.gz QWXSWMJGSHNHOH-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000359485267 387110963 /nfs/dbraw/zinc/11/09/63/387110963.db2.gz QWXSWMJGSHNHOH-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334950556 387114504 /nfs/dbraw/zinc/11/45/04/387114504.db2.gz IFAOGZWYIOLGKR-KOLCDFICSA-N 2 1 246.330 0.067 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000336766741 387121321 /nfs/dbraw/zinc/12/13/21/387121321.db2.gz SJJHWGSTVGWPCR-WYUUTHIRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000336766741 387121327 /nfs/dbraw/zinc/12/13/27/387121327.db2.gz SJJHWGSTVGWPCR-WYUUTHIRSA-N 2 1 212.337 0.687 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437408 387122159 /nfs/dbraw/zinc/12/21/59/387122159.db2.gz UBBFFAAWYQNHLJ-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335030277 387125145 /nfs/dbraw/zinc/12/51/45/387125145.db2.gz RIOZSCFOTGNOBI-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335030277 387125150 /nfs/dbraw/zinc/12/51/50/387125150.db2.gz RIOZSCFOTGNOBI-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249975966 387151084 /nfs/dbraw/zinc/15/10/84/387151084.db2.gz PZTHTAFKXGNQHA-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249975966 387151088 /nfs/dbraw/zinc/15/10/88/387151088.db2.gz PZTHTAFKXGNQHA-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423314143 387154756 /nfs/dbraw/zinc/15/47/56/387154756.db2.gz GRSAELUKEUIUJG-FRRDWIJNSA-N 2 1 243.395 0.541 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2([NH3+])CCC2)C1 ZINC000423343141 387193141 /nfs/dbraw/zinc/19/31/41/387193141.db2.gz ZGGVVLOOXYHLQN-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000423343141 387193143 /nfs/dbraw/zinc/19/31/43/387193143.db2.gz ZGGVVLOOXYHLQN-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323554 387166819 /nfs/dbraw/zinc/16/68/19/387166819.db2.gz ICTIZRKGGQDHIS-FRRDWIJNSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423323554 387166822 /nfs/dbraw/zinc/16/68/22/387166822.db2.gz ICTIZRKGGQDHIS-FRRDWIJNSA-N 2 1 225.380 0.916 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000423327481 387169934 /nfs/dbraw/zinc/16/99/34/387169934.db2.gz RQMYRDWBKZLCRY-ZMLRMANQSA-N 2 1 211.353 0.654 20 0 BCADMP C[NH+](C)CC(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000359850333 387176292 /nfs/dbraw/zinc/17/62/92/387176292.db2.gz UHSJEUVGSSLLNH-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000062904268 387180161 /nfs/dbraw/zinc/18/01/61/387180161.db2.gz KDXYLTGZXGGHFV-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261914 387184473 /nfs/dbraw/zinc/18/44/73/387184473.db2.gz FNTMVNVSWPHLPU-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261761 387184638 /nfs/dbraw/zinc/18/46/38/387184638.db2.gz CRMCSGUUJVWIQA-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP COCC[NH2+]CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423339246 387188615 /nfs/dbraw/zinc/18/86/15/387188615.db2.gz SESUAPDNPKRHAD-RYUDHWBXSA-N 2 1 241.379 0.437 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000643494824 387138433 /nfs/dbraw/zinc/13/84/33/387138433.db2.gz LVVUTJBDGJDVDQ-SRVKXCTJSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355118 387205286 /nfs/dbraw/zinc/20/52/86/387205286.db2.gz OOPDGMDKBPEBGD-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000300418263 387209668 /nfs/dbraw/zinc/20/96/68/387209668.db2.gz LWSFPRUUYGJDQF-AGIUHOORSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336377980 387210057 /nfs/dbraw/zinc/21/00/57/387210057.db2.gz WATBOOHXPLSMLD-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336377980 387210062 /nfs/dbraw/zinc/21/00/62/387210062.db2.gz WATBOOHXPLSMLD-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418200739 387211420 /nfs/dbraw/zinc/21/14/20/387211420.db2.gz QKMXAMRCGRLFLO-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418194331 387214738 /nfs/dbraw/zinc/21/47/38/387214738.db2.gz DJTQLWRRKOANMT-JTQLQIEISA-N 2 1 230.356 0.234 20 0 BCADMP C[N@@H+](CCn1ccnc1)CC1(O)CCC1 ZINC000353493667 387215560 /nfs/dbraw/zinc/21/55/60/387215560.db2.gz XNDVHJVYIIQFJG-UHFFFAOYSA-N 2 1 209.293 0.730 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000093173256 387218314 /nfs/dbraw/zinc/21/83/14/387218314.db2.gz IYRXZQXLKZIYJV-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353520989 387221280 /nfs/dbraw/zinc/22/12/80/387221280.db2.gz QPEUVYMFDYCPGN-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)Cn1cncn1 ZINC000423369429 387223252 /nfs/dbraw/zinc/22/32/52/387223252.db2.gz CADYUJSWFVGMHH-MNOVXSKESA-N 2 1 225.340 0.644 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396768 387231318 /nfs/dbraw/zinc/23/13/18/387231318.db2.gz SMOBSJZLWHDPHX-UPJWGTAASA-N 2 1 241.379 0.567 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396768 387231323 /nfs/dbraw/zinc/23/13/23/387231323.db2.gz SMOBSJZLWHDPHX-UPJWGTAASA-N 2 1 241.379 0.567 20 0 BCADMP C[NH+](C)C[C@H]1CCCN1C(=O)CC(F)(F)C[NH3+] ZINC000572130206 387233772 /nfs/dbraw/zinc/23/37/72/387233772.db2.gz XAKLIXOMTCDWAK-SECBINFHSA-N 2 1 249.305 0.523 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423399200 387235507 /nfs/dbraw/zinc/23/55/07/387235507.db2.gz UVDCSZAYOIGGDX-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C[C@@]1(C)CC[NH2+]C1 ZINC000572121254 387239278 /nfs/dbraw/zinc/23/92/78/387239278.db2.gz MHOUMZCFDLYOQE-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C[C@@]1(C)CC[NH2+]C1 ZINC000572121254 387239281 /nfs/dbraw/zinc/23/92/81/387239281.db2.gz MHOUMZCFDLYOQE-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406594 387243815 /nfs/dbraw/zinc/24/38/15/387243815.db2.gz UWSRNFDRNCLUCI-NOOOWODRSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406594 387243822 /nfs/dbraw/zinc/24/38/22/387243822.db2.gz UWSRNFDRNCLUCI-NOOOWODRSA-N 2 1 211.353 0.524 20 0 BCADMP Cc1cccc(NCCNC(=O)C2(C)C[NH2+]C2)[nH+]1 ZINC000423417336 387248290 /nfs/dbraw/zinc/24/82/90/387248290.db2.gz GRXLQRKYZJFYMZ-UHFFFAOYSA-N 2 1 248.330 0.528 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@H+]1C1CC1 ZINC000423419716 387248874 /nfs/dbraw/zinc/24/88/74/387248874.db2.gz AMHVNOFOUKLEGO-OXIWPEFWSA-N 2 1 249.358 0.480 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])c1c[nH+]ccc1N ZINC000423345445 387194574 /nfs/dbraw/zinc/19/45/74/387194574.db2.gz OCSWXISHEPDWCN-SSDOTTSWSA-N 2 1 230.262 0.739 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])c1c[nH+]ccc1N ZINC000423345456 387195183 /nfs/dbraw/zinc/19/51/83/387195183.db2.gz OCSWXISHEPDWCN-ZETCQYMHSA-N 2 1 230.262 0.739 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423348435 387199942 /nfs/dbraw/zinc/19/99/42/387199942.db2.gz TWZJJDQBCLZHQH-SFYZADRCSA-N 2 1 207.268 0.168 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCS[C@H](C)C1 ZINC000514943519 387312139 /nfs/dbraw/zinc/31/21/39/387312139.db2.gz FZXIOUDLDIHMIS-NXEZZACHSA-N 2 1 218.366 0.394 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCS[C@H](C)C1 ZINC000514943519 387312145 /nfs/dbraw/zinc/31/21/45/387312145.db2.gz FZXIOUDLDIHMIS-NXEZZACHSA-N 2 1 218.366 0.394 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000194950242 387254149 /nfs/dbraw/zinc/25/41/49/387254149.db2.gz SPLBMKMBEFRMAD-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@@H](COC)C1CC1 ZINC000423375344 387257431 /nfs/dbraw/zinc/25/74/31/387257431.db2.gz IQZKCLAFSYZEAP-KOLCDFICSA-N 2 1 200.326 0.999 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377566 387259466 /nfs/dbraw/zinc/25/94/66/387259466.db2.gz YZHOHFGNCYJXIX-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423382342 387264638 /nfs/dbraw/zinc/26/46/38/387264638.db2.gz OJSIRGXFHRMHIG-QJPTWQEYSA-N 2 1 213.369 0.914 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000645685055 387267626 /nfs/dbraw/zinc/26/76/26/387267626.db2.gz RUSJVBFHOKLBDW-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP COC[C@]1(C[NH2+][C@@H](C)[C@H](C)OC)CCC[NH2+]1 ZINC000423431460 387283635 /nfs/dbraw/zinc/28/36/35/387283635.db2.gz QOMOOJOCCCPYFV-SDDRHHMPSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432599 387284679 /nfs/dbraw/zinc/28/46/79/387284679.db2.gz OPQVHAYGUCXCCW-QPPBUOOMSA-N 2 1 249.358 0.337 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435037 387286423 /nfs/dbraw/zinc/28/64/23/387286423.db2.gz OLJANQUZSCCDLX-CABNGKKXSA-N 3 1 237.391 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435037 387286427 /nfs/dbraw/zinc/28/64/27/387286427.db2.gz OLJANQUZSCCDLX-CABNGKKXSA-N 2 1 237.391 0.962 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000514865434 387301829 /nfs/dbraw/zinc/30/18/29/387301829.db2.gz UWKANUWXIDWLQF-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423527260 387355840 /nfs/dbraw/zinc/35/58/40/387355840.db2.gz VNWUIQUKRJITJF-MNOVXSKESA-N 2 1 213.369 0.914 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530284 387358296 /nfs/dbraw/zinc/35/82/96/387358296.db2.gz YTHMCPWGTZDFCU-AVGNSLFASA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000423530852 387358806 /nfs/dbraw/zinc/35/88/06/387358806.db2.gz XJICVMBAUYHZIN-KGYLQXTDSA-N 2 1 239.363 0.047 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000423532487 387358856 /nfs/dbraw/zinc/35/88/56/387358856.db2.gz ZQOVTZZZCJROAD-NTZNESFSSA-N 2 1 239.363 0.190 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423502762 387343627 /nfs/dbraw/zinc/34/36/27/387343627.db2.gz FIRKYFSRZYXFPZ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@H]1C[C@H]1C ZINC000423515254 387350944 /nfs/dbraw/zinc/35/09/44/387350944.db2.gz MYCZSSWAHMLEIN-KKOKHZNYSA-N 2 1 211.353 0.524 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423785382 387424141 /nfs/dbraw/zinc/42/41/41/387424141.db2.gz SYQKALCHCSYHLB-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423785381 387424466 /nfs/dbraw/zinc/42/44/66/387424466.db2.gz SYQKALCHCSYHLB-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423785384 387424691 /nfs/dbraw/zinc/42/46/91/387424691.db2.gz SYQKALCHCSYHLB-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000423781833 387424784 /nfs/dbraw/zinc/42/47/84/387424784.db2.gz YAOOWUXBSAKJRY-QWRGUYRKSA-N 2 1 229.368 0.960 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C ZINC000423781835 387424877 /nfs/dbraw/zinc/42/48/77/387424877.db2.gz YAVXCWFQFABDLM-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000423779057 387424902 /nfs/dbraw/zinc/42/49/02/387424902.db2.gz UMHGEYGTBPUVBB-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423849046 387434694 /nfs/dbraw/zinc/43/46/94/387434694.db2.gz PBEQJMFFVACTCY-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](CCC[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000304288713 387458377 /nfs/dbraw/zinc/45/83/77/387458377.db2.gz LNNPDAIYXOIHNL-UHFFFAOYSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423640244 387392293 /nfs/dbraw/zinc/39/22/93/387392293.db2.gz GLMRBGOWCOBXRW-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423974322 387460452 /nfs/dbraw/zinc/46/04/52/387460452.db2.gz HVPIYAIALRDWDK-DGCLKSJQSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721375 387403187 /nfs/dbraw/zinc/40/31/87/387403187.db2.gz BRKSNUSDJQNAEQ-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000336585705 387412434 /nfs/dbraw/zinc/41/24/34/387412434.db2.gz PSMFANRZXSZZRD-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000648123956 387414457 /nfs/dbraw/zinc/41/44/57/387414457.db2.gz MSNCVYZLNSGHKO-DDHJBXDOSA-N 2 1 239.363 0.441 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000423766265 387418823 /nfs/dbraw/zinc/41/88/23/387418823.db2.gz CNONGOCYLJKMIJ-QWRGUYRKSA-N 2 1 245.367 0.197 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423773364 387421255 /nfs/dbraw/zinc/42/12/55/387421255.db2.gz LYMSTJOBTXACNM-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423778013 387422370 /nfs/dbraw/zinc/42/23/70/387422370.db2.gz SHYPKSZCTXHWTL-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474904 387496284 /nfs/dbraw/zinc/49/62/84/387496284.db2.gz MDAMZZNTSZATSU-VOAKCMCISA-N 2 1 241.379 0.436 20 0 BCADMP C[C@@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474904 387496288 /nfs/dbraw/zinc/49/62/88/387496288.db2.gz MDAMZZNTSZATSU-VOAKCMCISA-N 2 1 241.379 0.436 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422029446 387542971 /nfs/dbraw/zinc/54/29/71/387542971.db2.gz XZYDCLLFNPHRAS-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422029446 387542974 /nfs/dbraw/zinc/54/29/74/387542974.db2.gz XZYDCLLFNPHRAS-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422029446 387542977 /nfs/dbraw/zinc/54/29/77/387542977.db2.gz XZYDCLLFNPHRAS-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000374998102 387506671 /nfs/dbraw/zinc/50/66/71/387506671.db2.gz ZYOLVZVSHKYESV-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000516465305 387511853 /nfs/dbraw/zinc/51/18/53/387511853.db2.gz CSBRJYGQNLXFHO-GFCCVEGCSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000361695288 387522645 /nfs/dbraw/zinc/52/26/45/387522645.db2.gz DEOVLVLZPKKQRX-BXKDBHETSA-N 2 1 233.315 0.637 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000361695288 387522648 /nfs/dbraw/zinc/52/26/48/387522648.db2.gz DEOVLVLZPKKQRX-BXKDBHETSA-N 2 1 233.315 0.637 20 0 BCADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[NH3+] ZINC000423998232 387463579 /nfs/dbraw/zinc/46/35/79/387463579.db2.gz ALCCAEWAEWDCHI-UHFFFAOYSA-N 2 1 238.335 0.814 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000424001803 387464361 /nfs/dbraw/zinc/46/43/61/387464361.db2.gz IBRKSAJFECTQHY-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CN(CC[NH3+])C(=O)C[N@H+](C)Cc1ccccc1 ZINC000424001770 387464503 /nfs/dbraw/zinc/46/45/03/387464503.db2.gz HZFQYGCPLVOUDB-UHFFFAOYSA-N 2 1 235.331 0.536 20 0 BCADMP CN(CC[NH3+])C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000424001770 387464506 /nfs/dbraw/zinc/46/45/06/387464506.db2.gz HZFQYGCPLVOUDB-UHFFFAOYSA-N 2 1 235.331 0.536 20 0 BCADMP C[C@@H]1C[C@H](NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000643507034 387476107 /nfs/dbraw/zinc/47/61/07/387476107.db2.gz QHDRALUKWTWPNE-PWSUYJOCSA-N 2 1 223.364 0.953 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000375846332 387587381 /nfs/dbraw/zinc/58/73/81/387587381.db2.gz DSGMRNTWAAHYBD-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000375846336 387587513 /nfs/dbraw/zinc/58/75/13/387587513.db2.gz DSGMRNTWAAHYBD-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355881355 387589183 /nfs/dbraw/zinc/58/91/83/387589183.db2.gz OOAYWUNLOSAGMF-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000355881355 387589187 /nfs/dbraw/zinc/58/91/87/387589187.db2.gz OOAYWUNLOSAGMF-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN1CCOCC1 ZINC000123715783 387592749 /nfs/dbraw/zinc/59/27/49/387592749.db2.gz COZGDFRLWKYAQQ-CYBMUJFWSA-N 2 1 243.395 0.624 20 0 BCADMP C[NH2+]CCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422605590 387606379 /nfs/dbraw/zinc/60/63/79/387606379.db2.gz GITNZPJEXQEMGB-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422610835 387606785 /nfs/dbraw/zinc/60/67/85/387606785.db2.gz QWPONOHWQKLKKO-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000356104014 387616564 /nfs/dbraw/zinc/61/65/64/387616564.db2.gz ZPMXKBLJMNQQRF-UHFFFAOYSA-N 2 1 242.367 0.284 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422705163 387620133 /nfs/dbraw/zinc/62/01/33/387620133.db2.gz BHGSGQJTKVBUFA-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000399626342 387564547 /nfs/dbraw/zinc/56/45/47/387564547.db2.gz DREROQHYDLTPDK-JQWIXIFHSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399725638 387567022 /nfs/dbraw/zinc/56/70/22/387567022.db2.gz KAEIPPLJHPEDCW-WDEREUQCSA-N 2 1 229.368 0.674 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725139 387568106 /nfs/dbraw/zinc/56/81/06/387568106.db2.gz KAEIPPLJHPEDCW-MNOVXSKESA-N 2 1 229.368 0.674 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430642094 387635249 /nfs/dbraw/zinc/63/52/49/387635249.db2.gz NTJZMWSTXJVVJU-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP Cc1cccc(NCCNC(=O)C(C)(C)[NH3+])[nH+]1 ZINC000430715755 387642705 /nfs/dbraw/zinc/64/27/05/387642705.db2.gz SXCNNZWVGKTZMK-UHFFFAOYSA-N 2 1 236.319 0.655 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)CC[NH3+])CC[N@H+]1C ZINC000430792117 387651516 /nfs/dbraw/zinc/65/15/16/387651516.db2.gz HCKXFQYXZJCXNL-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000430808835 387653851 /nfs/dbraw/zinc/65/38/51/387653851.db2.gz NNDPBRHUSCHORC-NSHDSACASA-N 2 1 225.336 0.135 20 0 BCADMP C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)[C@H]1CCC[NH2+]1 ZINC000422748141 387653977 /nfs/dbraw/zinc/65/39/77/387653977.db2.gz SDZWAEMHVQJBME-GHMZBOCLSA-N 2 1 239.363 0.762 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430899586 387658736 /nfs/dbraw/zinc/65/87/36/387658736.db2.gz MECWOTGCYAKNGR-MWLCHTKSSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430922630 387660670 /nfs/dbraw/zinc/66/06/70/387660670.db2.gz BPPZAZWEMZRSJU-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430922630 387660674 /nfs/dbraw/zinc/66/06/74/387660674.db2.gz BPPZAZWEMZRSJU-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422758171 387660938 /nfs/dbraw/zinc/66/09/38/387660938.db2.gz NPYYBIWORGQOPP-IJLUTSLNSA-N 2 1 211.353 0.940 20 0 BCADMP CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422757859 387661366 /nfs/dbraw/zinc/66/13/66/387661366.db2.gz IIOPZVADWQHJKI-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000430963430 387665015 /nfs/dbraw/zinc/66/50/15/387665015.db2.gz UYEMMTQCKIDMAA-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430968666 387665632 /nfs/dbraw/zinc/66/56/32/387665632.db2.gz ATTUKYNWUPOYQR-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424137957 387668002 /nfs/dbraw/zinc/66/80/02/387668002.db2.gz CQJOTKRCHNQRGG-WHOHXGKFSA-N 2 1 239.363 0.522 20 0 BCADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000431010871 387669445 /nfs/dbraw/zinc/66/94/45/387669445.db2.gz SFQLKKHXDQNPJN-JTQLQIEISA-N 2 1 222.292 0.141 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023874 387670630 /nfs/dbraw/zinc/67/06/30/387670630.db2.gz JIKYCUZHMPWJJC-ONGXEEELSA-N 2 1 225.336 0.324 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431014721 387671343 /nfs/dbraw/zinc/67/13/43/387671343.db2.gz LDFRRBXYLHEUAT-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422785324 387683164 /nfs/dbraw/zinc/68/31/64/387683164.db2.gz QVEOMKTZDYBQKV-NEPJUHHUSA-N 2 1 229.368 0.424 20 0 BCADMP C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743555 387689541 /nfs/dbraw/zinc/68/95/41/387689541.db2.gz RSALLRSFYKULGN-WZRBSPASSA-N 2 1 223.364 0.953 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCC(=O)NC1)[C@H]1CCCC[NH2+]1 ZINC000422743727 387690862 /nfs/dbraw/zinc/69/08/62/387690862.db2.gz JCSGDWIRKJMUCG-GRYCIOLGSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871523 387749670 /nfs/dbraw/zinc/74/96/70/387749670.db2.gz DABCFPYVAVJJSH-CKYFFXLPSA-N 2 1 209.337 0.421 20 0 BCADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000441374705 387753732 /nfs/dbraw/zinc/75/37/32/387753732.db2.gz GOGNIYJNGLTYPB-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000441374705 387753734 /nfs/dbraw/zinc/75/37/34/387753734.db2.gz GOGNIYJNGLTYPB-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000127049202 387702971 /nfs/dbraw/zinc/70/29/71/387702971.db2.gz AIFNCMFVXQTUJQ-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000127049202 387702975 /nfs/dbraw/zinc/70/29/75/387702975.db2.gz AIFNCMFVXQTUJQ-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000127049202 387702979 /nfs/dbraw/zinc/70/29/79/387702979.db2.gz AIFNCMFVXQTUJQ-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127213964 387709371 /nfs/dbraw/zinc/70/93/71/387709371.db2.gz HGIMMUCQVWYMSN-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000377346119 387710204 /nfs/dbraw/zinc/71/02/04/387710204.db2.gz ONHCLKRDISVZSR-JOYOIKCWSA-N 2 1 243.326 0.287 20 0 BCADMP CCC[N@@H+](CC)CCN[C@H](C)C1C[NH2+]C1 ZINC000422822818 387718438 /nfs/dbraw/zinc/71/84/38/387718438.db2.gz KSFLFTIPDQLCKQ-LLVKDONJSA-N 2 1 213.369 0.916 20 0 BCADMP C[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431619109 387722191 /nfs/dbraw/zinc/72/21/91/387722191.db2.gz FSIGCXNUZWXPAK-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+](CCCO)C1CC[NH+](CCCCO)CC1 ZINC000115548825 387723733 /nfs/dbraw/zinc/72/37/33/387723733.db2.gz FMYVVVSIZQJISF-UHFFFAOYSA-N 2 1 244.379 0.538 20 0 BCADMP C[N@@H+](CCCO)C1CC[NH+](CCCCO)CC1 ZINC000115548825 387723737 /nfs/dbraw/zinc/72/37/37/387723737.db2.gz FMYVVVSIZQJISF-UHFFFAOYSA-N 2 1 244.379 0.538 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422841397 387731538 /nfs/dbraw/zinc/73/15/38/387731538.db2.gz CWOQYDVKLSURRM-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422841397 387731540 /nfs/dbraw/zinc/73/15/40/387731540.db2.gz CWOQYDVKLSURRM-STQMWFEESA-N 3 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422841397 387731547 /nfs/dbraw/zinc/73/15/47/387731547.db2.gz CWOQYDVKLSURRM-STQMWFEESA-N 3 1 243.395 0.672 20 0 BCADMP COCCN(C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422841397 387731549 /nfs/dbraw/zinc/73/15/49/387731549.db2.gz CWOQYDVKLSURRM-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422848134 387733837 /nfs/dbraw/zinc/73/38/37/387733837.db2.gz SNPJDISCMZKOBH-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000643529316 387776778 /nfs/dbraw/zinc/77/67/78/387776778.db2.gz YMGXPCQSPJZSGX-UWVGGRQHSA-N 2 1 246.318 0.660 20 0 BCADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)[NH3+])CO2 ZINC000643529576 387777026 /nfs/dbraw/zinc/77/70/26/387777026.db2.gz CHGWUEBNYAJFKF-GXSJLCMTSA-N 2 1 236.315 0.936 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000157285086 387780554 /nfs/dbraw/zinc/78/05/54/387780554.db2.gz RVQLJQHGIVMJKA-SNVBAGLBSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422937334 387782662 /nfs/dbraw/zinc/78/26/62/387782662.db2.gz JMOGOXICZLBAEU-JLLWLGSASA-N 2 1 234.347 0.997 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422937336 387782854 /nfs/dbraw/zinc/78/28/54/387782854.db2.gz JMOGOXICZLBAEU-WCQGTBRESA-N 2 1 234.347 0.997 20 0 BCADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCOC2)CCCO1 ZINC000432344819 387783761 /nfs/dbraw/zinc/78/37/61/387783761.db2.gz FTJYNKAHMYGPFO-QWHCGFSZSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC2)CCCO1 ZINC000432344819 387783763 /nfs/dbraw/zinc/78/37/63/387783763.db2.gz FTJYNKAHMYGPFO-QWHCGFSZSA-N 2 1 242.363 0.866 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422979070 387788807 /nfs/dbraw/zinc/78/88/07/387788807.db2.gz LEQAHFRMEQAKLF-WOPDTQHZSA-N 2 1 230.352 0.362 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422979068 387789532 /nfs/dbraw/zinc/78/95/32/387789532.db2.gz LEQAHFRMEQAKLF-TUAOUCFPSA-N 2 1 230.352 0.362 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000378525273 387789586 /nfs/dbraw/zinc/78/95/86/387789586.db2.gz FBTNNAICTLHFNA-MNOVXSKESA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422982680 387793947 /nfs/dbraw/zinc/79/39/47/387793947.db2.gz XOAKQLNBINAYNU-GRYCIOLGSA-N 2 1 214.353 0.981 20 0 BCADMP CSCC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422988369 387798401 /nfs/dbraw/zinc/79/84/01/387798401.db2.gz IUYQUOPLVVOOCC-VWYCJHECSA-N 2 1 232.393 0.831 20 0 BCADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988090 387798732 /nfs/dbraw/zinc/79/87/32/387798732.db2.gz ICTIXDATTJJFBX-XQHKEYJVSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988090 387798739 /nfs/dbraw/zinc/79/87/39/387798739.db2.gz ICTIXDATTJJFBX-XQHKEYJVSA-N 2 1 225.380 0.914 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422991366 387799655 /nfs/dbraw/zinc/79/96/55/387799655.db2.gz PMVUFIRJMVUZMH-GMTAPVOTSA-N 2 1 200.326 0.591 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432527714 387799712 /nfs/dbraw/zinc/79/97/12/387799712.db2.gz RGYIRXLHPYSHJW-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422959842 387811133 /nfs/dbraw/zinc/81/11/33/387811133.db2.gz ABPKXFPVVOCPKM-WDEREUQCSA-N 2 1 241.379 0.736 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000162709972 387822642 /nfs/dbraw/zinc/82/26/42/387822642.db2.gz IRJKAFVKPHZVDF-SNVBAGLBSA-N 2 1 208.309 0.509 20 0 BCADMP CC[C@H](CCO)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422974146 387823458 /nfs/dbraw/zinc/82/34/58/387823458.db2.gz DHSISHFMTAGSET-AXFHLTTASA-N 2 1 200.326 0.735 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528023092 387828583 /nfs/dbraw/zinc/82/85/83/387828583.db2.gz DIKCUNGSEGAYKB-PWSUYJOCSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000643459011 387831222 /nfs/dbraw/zinc/83/12/22/387831222.db2.gz DIJFFDUEOXYSNW-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423009381 387831459 /nfs/dbraw/zinc/83/14/59/387831459.db2.gz VLDNOPBFRUPJST-IJLUTSLNSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423009380 387831635 /nfs/dbraw/zinc/83/16/35/387831635.db2.gz VLDNOPBFRUPJST-GRYCIOLGSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424158630 387835100 /nfs/dbraw/zinc/83/51/00/387835100.db2.gz UDEDJAXJICGKGW-OYBPUVFXSA-N 2 1 223.320 0.075 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CCC1 ZINC000442767805 387834930 /nfs/dbraw/zinc/83/49/30/387834930.db2.gz RRMPSDRRNMZQJT-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1CCC1 ZINC000442767805 387834932 /nfs/dbraw/zinc/83/49/32/387834932.db2.gz RRMPSDRRNMZQJT-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC000442751172 387835430 /nfs/dbraw/zinc/83/54/30/387835430.db2.gz BTVJGUFSYGFANK-CKYFFXLPSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424158625 387835567 /nfs/dbraw/zinc/83/55/67/387835567.db2.gz UDEDJAXJICGKGW-HLFFCZDVSA-N 2 1 223.320 0.075 20 0 BCADMP C[C@H](CO)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423015505 387838501 /nfs/dbraw/zinc/83/85/01/387838501.db2.gz RHDDVKNATFCXCJ-SDDRHHMPSA-N 2 1 214.353 0.983 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000442802953 387844824 /nfs/dbraw/zinc/84/48/24/387844824.db2.gz UMNGUQYJOPKNLX-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000442802953 387844825 /nfs/dbraw/zinc/84/48/25/387844825.db2.gz UMNGUQYJOPKNLX-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423028574 387845923 /nfs/dbraw/zinc/84/59/23/387845923.db2.gz GSMKACKPQWNZIE-XWLWVQCSSA-N 2 1 200.326 0.733 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CCn3cccn3)C[C@H]2C1 ZINC000193616558 387859385 /nfs/dbraw/zinc/85/93/85/387859385.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 2 1 220.320 0.377 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC000193616558 387859390 /nfs/dbraw/zinc/85/93/90/387859390.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 2 1 220.320 0.377 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC000193616558 387859393 /nfs/dbraw/zinc/85/93/93/387859393.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 2 1 220.320 0.377 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC000193616558 387859401 /nfs/dbraw/zinc/85/94/01/387859401.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 2 1 220.320 0.377 20 0 BCADMP CC(C)NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193622052 387860140 /nfs/dbraw/zinc/86/01/40/387860140.db2.gz QLWXSMRHPKRRGQ-PHIMTYICSA-N 2 1 225.336 0.004 20 0 BCADMP CC[C@@H]([NH2+][C@@H](CC)CO)[C@@H]1CCC[NH2+]1 ZINC000423055244 387863333 /nfs/dbraw/zinc/86/33/33/387863333.db2.gz CYJDKKGCRZKCDG-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)O ZINC000423060764 387865891 /nfs/dbraw/zinc/86/58/91/387865891.db2.gz IVCDHUKZLGXLAA-NXEZZACHSA-N 2 1 200.326 0.735 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442662977 387817419 /nfs/dbraw/zinc/81/74/19/387817419.db2.gz GIEXOFCXOVXBLZ-NWDGAFQWSA-N 2 1 213.369 0.997 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442662976 387817797 /nfs/dbraw/zinc/81/77/97/387817797.db2.gz GIEXOFCXOVXBLZ-NEPJUHHUSA-N 2 1 213.369 0.997 20 0 BCADMP C[C@H]([NH3+])CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442667075 387818509 /nfs/dbraw/zinc/81/85/09/387818509.db2.gz VDBQPVNPPMQRMM-AAEUAGOBSA-N 2 1 225.380 0.997 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181703 387896976 /nfs/dbraw/zinc/89/69/76/387896976.db2.gz RYKFVIFYEGHEGG-WISYIIOYSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538391 387876545 /nfs/dbraw/zinc/87/65/45/387876545.db2.gz JDQMZCODOILRNF-FIQHERPVSA-N 2 1 229.343 0.664 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000423095247 387884671 /nfs/dbraw/zinc/88/46/71/387884671.db2.gz LTDVYGBIVFBPTD-STQMWFEESA-N 2 1 223.364 0.836 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123104 387902487 /nfs/dbraw/zinc/90/24/87/387902487.db2.gz MATQISLUGOKDNN-QWRGUYRKSA-N 2 1 213.369 0.913 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423157554 387937090 /nfs/dbraw/zinc/93/70/90/387937090.db2.gz BEMAMKFWULKSJF-ADEWGFFLSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[N@H+]1CCO ZINC000423149580 387928028 /nfs/dbraw/zinc/92/80/28/387928028.db2.gz XUPNWBODHGOJFY-XQQFMLRXSA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCCN1CCO ZINC000423149580 387928035 /nfs/dbraw/zinc/92/80/35/387928035.db2.gz XUPNWBODHGOJFY-XQQFMLRXSA-N 2 1 243.395 0.549 20 0 BCADMP Cn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533546 387937808 /nfs/dbraw/zinc/93/78/08/387937808.db2.gz PECOPLUTVMQINP-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP Cn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533546 387937812 /nfs/dbraw/zinc/93/78/12/387937812.db2.gz PECOPLUTVMQINP-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000158222107 387940133 /nfs/dbraw/zinc/94/01/33/387940133.db2.gz DFSKYIZCDRDGMB-NWDGAFQWSA-N 2 1 249.358 0.970 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424299519 387958369 /nfs/dbraw/zinc/95/83/69/387958369.db2.gz FBYPKGFIRINZDB-LLVKDONJSA-N 2 1 223.324 0.525 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424299519 387958373 /nfs/dbraw/zinc/95/83/73/387958373.db2.gz FBYPKGFIRINZDB-LLVKDONJSA-N 2 1 223.324 0.525 20 0 BCADMP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299235 387958631 /nfs/dbraw/zinc/95/86/31/387958631.db2.gz DTHREFWWLWHRTA-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196950 387981394 /nfs/dbraw/zinc/98/13/94/387981394.db2.gz XAAPJVBOPYMSQY-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP C[NH2+]CCCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423201268 387987468 /nfs/dbraw/zinc/98/74/68/387987468.db2.gz OGSCVBBTMPMLRY-QWRGUYRKSA-N 2 1 211.353 0.811 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245920721 387992440 /nfs/dbraw/zinc/99/24/40/387992440.db2.gz GZNIJTWFYIPXRY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245920721 387992444 /nfs/dbraw/zinc/99/24/44/387992444.db2.gz GZNIJTWFYIPXRY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424339869 387982726 /nfs/dbraw/zinc/98/27/26/387982726.db2.gz XAKZFSOPVYNYEE-NXEZZACHSA-N 2 1 234.365 0.281 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000424375582 387998667 /nfs/dbraw/zinc/99/86/67/387998667.db2.gz KLYSDBZKQFKOJP-QWRGUYRKSA-N 2 1 248.392 0.399 20 0 BCADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000423217339 387999984 /nfs/dbraw/zinc/99/99/84/387999984.db2.gz RVGJZHMMKHWUAN-PWSUYJOCSA-N 2 1 235.331 0.973 20 0 BCADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000423217338 388000760 /nfs/dbraw/zinc/00/07/60/388000760.db2.gz RVGJZHMMKHWUAN-JQWIXIFHSA-N 2 1 235.331 0.973 20 0 BCADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000423217340 388000764 /nfs/dbraw/zinc/00/07/64/388000764.db2.gz RVGJZHMMKHWUAN-ZYHUDNBSSA-N 2 1 235.331 0.973 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000446285824 388011792 /nfs/dbraw/zinc/01/17/92/388011792.db2.gz YICSXTPPLUNQRY-GRYCIOLGSA-N 2 1 237.347 0.339 20 0 BCADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000253236608 135124916 /nfs/dbraw/zinc/12/49/16/135124916.db2.gz FDINCDHGFSZXJZ-GMTAPVOTSA-N 2 1 200.326 0.951 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229376 388015916 /nfs/dbraw/zinc/01/59/16/388015916.db2.gz BASYYRQXCQEJNA-NQBHXWOUSA-N 2 1 223.364 0.811 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256153 388019485 /nfs/dbraw/zinc/01/94/85/388019485.db2.gz MZFZFYFQRIZMAD-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257301 388019778 /nfs/dbraw/zinc/01/97/78/388019778.db2.gz NFPKQHZCQIFWOD-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP CC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423252687 388035949 /nfs/dbraw/zinc/03/59/49/388035949.db2.gz YAPFMJFYFWWYCU-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP CC[NH2+]CC1CC[NH+](CC(=O)OCC)CC1 ZINC000082645634 388037958 /nfs/dbraw/zinc/03/79/58/388037958.db2.gz PVAVVTOWANTSJW-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000082645512 388039158 /nfs/dbraw/zinc/03/91/58/388039158.db2.gz ABSABHSCHMXMCO-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000082645512 388039161 /nfs/dbraw/zinc/03/91/61/388039161.db2.gz ABSABHSCHMXMCO-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423248500 388031618 /nfs/dbraw/zinc/03/16/18/388031618.db2.gz QTXPDDVKCWKNND-SDDRHHMPSA-N 2 1 213.369 0.914 20 0 BCADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271440 388051858 /nfs/dbraw/zinc/05/18/58/388051858.db2.gz HLOKNFMDKCVZSA-PWSUYJOCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370171 388055854 /nfs/dbraw/zinc/05/58/54/388055854.db2.gz QPNJGTHSBWJSDV-JCIQBVFBSA-N 2 1 212.337 0.828 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278169 388060865 /nfs/dbraw/zinc/06/08/65/388060865.db2.gz QRDJZFOQJFSKAE-FRRDWIJNSA-N 3 1 225.380 0.964 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CC1)C1CCCC1 ZINC000083836098 388063595 /nfs/dbraw/zinc/06/35/95/388063595.db2.gz FWXRYKKEOOKLCR-UHFFFAOYSA-N 2 1 225.336 0.468 20 0 BCADMP C[C@H]1C[C@@H](NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000423287963 388073464 /nfs/dbraw/zinc/07/34/64/388073464.db2.gz PQTKALWLFOISSO-VHSXEESVSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])CN1C1CC1 ZINC000423287963 388073467 /nfs/dbraw/zinc/07/34/67/388073467.db2.gz PQTKALWLFOISSO-VHSXEESVSA-N 2 1 211.353 0.939 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294462 388077492 /nfs/dbraw/zinc/07/74/92/388077492.db2.gz CAIMKIZLFADBOG-WZRBSPASSA-N 2 1 237.347 0.339 20 0 BCADMP C([NH2+][C@@H]1CCSC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789743 388096735 /nfs/dbraw/zinc/09/67/35/388096735.db2.gz GKVUKNWJOZFTFP-IJLUTSLNSA-N 2 1 242.388 0.945 20 0 BCADMP C([NH2+][C@@H]1CCSC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789743 388096737 /nfs/dbraw/zinc/09/67/37/388096737.db2.gz GKVUKNWJOZFTFP-IJLUTSLNSA-N 2 1 242.388 0.945 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447908804 388102609 /nfs/dbraw/zinc/10/26/09/388102609.db2.gz BYGSDMKOMNXYCC-NEPJUHHUSA-N 2 1 239.319 0.321 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638136 388105216 /nfs/dbraw/zinc/10/52/16/388105216.db2.gz VEYNZEQIVSISRZ-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638136 388105218 /nfs/dbraw/zinc/10/52/18/388105218.db2.gz VEYNZEQIVSISRZ-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP C[NH2+]C[C@@H](C)CN[C@@H]1CC[N@H+](CCOC)C1 ZINC000423267084 388045383 /nfs/dbraw/zinc/04/53/83/388045383.db2.gz DUETVWZLYXVYGM-VXGBXAGGSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@@H](C)CN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423267084 388045384 /nfs/dbraw/zinc/04/53/84/388045384.db2.gz DUETVWZLYXVYGM-VXGBXAGGSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423271184 388049997 /nfs/dbraw/zinc/04/99/97/388049997.db2.gz IRJGQDYYSFBWSX-GVXVVHGQSA-N 2 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423271184 388049999 /nfs/dbraw/zinc/04/99/99/388049999.db2.gz IRJGQDYYSFBWSX-GVXVVHGQSA-N 2 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423271181 388050045 /nfs/dbraw/zinc/05/00/45/388050045.db2.gz IRJGQDYYSFBWSX-DMDPSCGWSA-N 2 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423271181 388050046 /nfs/dbraw/zinc/05/00/46/388050046.db2.gz IRJGQDYYSFBWSX-DMDPSCGWSA-N 2 1 225.380 0.914 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297373 388178408 /nfs/dbraw/zinc/17/84/08/388178408.db2.gz DRFSKJCLNPIYMX-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000645906574 388123469 /nfs/dbraw/zinc/12/34/69/388123469.db2.gz SZUFQVJYMMEFJI-MWLCHTKSSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070707 388137108 /nfs/dbraw/zinc/13/71/08/388137108.db2.gz KTBMNYFTNPNLAK-MNOVXSKESA-N 2 1 241.379 0.912 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000449098792 388142187 /nfs/dbraw/zinc/14/21/87/388142187.db2.gz KYELVDVFYVSVNJ-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP COC[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104865 388143443 /nfs/dbraw/zinc/14/34/43/388143443.db2.gz ZXILCKOAQUSQKF-GFCCVEGCSA-N 2 1 242.363 0.818 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000449116240 388144496 /nfs/dbraw/zinc/14/44/96/388144496.db2.gz OZBFVSBUSLVHRK-NSHDSACASA-N 2 1 229.368 0.831 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000449118017 388145777 /nfs/dbraw/zinc/14/57/77/388145777.db2.gz RASHUYKABHLRRE-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000488785577 388195137 /nfs/dbraw/zinc/19/51/37/388195137.db2.gz RSRKCZCMETZEQA-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000488785577 388195139 /nfs/dbraw/zinc/19/51/39/388195139.db2.gz RSRKCZCMETZEQA-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000488785577 388195141 /nfs/dbraw/zinc/19/51/41/388195141.db2.gz RSRKCZCMETZEQA-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449575114 388235557 /nfs/dbraw/zinc/23/55/57/388235557.db2.gz KDDUTXCFHGOMKD-SCVCMEIPSA-N 2 1 245.342 0.520 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CC[NH+](C2CC2)CC1 ZINC000491874716 388325755 /nfs/dbraw/zinc/32/57/55/388325755.db2.gz WLSRJUXDYUDIMA-ONEGZZNKSA-N 2 1 237.347 0.411 20 0 BCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C\C[NH+](C)C ZINC000491883752 388326265 /nfs/dbraw/zinc/32/62/65/388326265.db2.gz LMIGQTQRNWMPAM-FJOGCWAESA-N 2 1 239.363 0.514 20 0 BCADMP CN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000491901825 388327044 /nfs/dbraw/zinc/32/70/44/388327044.db2.gz CHUZCESSFKZCQX-WMADIVHISA-N 2 1 239.363 0.657 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910863 388327382 /nfs/dbraw/zinc/32/73/82/388327382.db2.gz ZGMFSYQGNWFOGO-WMADIVHISA-N 2 1 239.363 0.705 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910859 388327476 /nfs/dbraw/zinc/32/74/76/388327476.db2.gz ZGMFSYQGNWFOGO-VFFGBVLKSA-N 2 1 239.363 0.705 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)/C=C/C[NH+](C)C ZINC000492058492 388333200 /nfs/dbraw/zinc/33/32/00/388333200.db2.gz PMDNNLNTZFNHCZ-BQYQJAHWSA-N 2 1 241.379 0.952 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000492324900 388341557 /nfs/dbraw/zinc/34/15/57/388341557.db2.gz SBLUSJCUAGORCC-PLNGDYQASA-N 2 1 237.347 0.482 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646391857 388349003 /nfs/dbraw/zinc/34/90/03/388349003.db2.gz ZPCFGJZFUFQZSB-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300366775 388363019 /nfs/dbraw/zinc/36/30/19/388363019.db2.gz GVSGZDGDCZISDY-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300366775 388363022 /nfs/dbraw/zinc/36/30/22/388363022.db2.gz GVSGZDGDCZISDY-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309547995 388367424 /nfs/dbraw/zinc/36/74/24/388367424.db2.gz CNEMKGABMCXDNI-GFCCVEGCSA-N 2 1 211.353 0.527 20 0 BCADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000086495480 388367775 /nfs/dbraw/zinc/36/77/75/388367775.db2.gz BFKPDMVPWZYUND-GARJFASQSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000524652616 388370632 /nfs/dbraw/zinc/37/06/32/388370632.db2.gz VUCZCEOZUWWSCK-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000524652616 388370634 /nfs/dbraw/zinc/37/06/34/388370634.db2.gz VUCZCEOZUWWSCK-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646523206 388375023 /nfs/dbraw/zinc/37/50/23/388375023.db2.gz NQYGGEDGCIHUKL-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH3+] ZINC000236826178 388384246 /nfs/dbraw/zinc/38/42/46/388384246.db2.gz BXNBCBDEICXOLD-UHFFFAOYSA-N 2 1 238.335 0.862 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000236862866 388384939 /nfs/dbraw/zinc/38/49/39/388384939.db2.gz FQAZLSBSZDXSES-LLVKDONJSA-N 2 1 229.368 0.688 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236863909 388385151 /nfs/dbraw/zinc/38/51/51/388385151.db2.gz UEXFMSQOLDKMQG-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C[NH+](C)C ZINC000646604825 388393366 /nfs/dbraw/zinc/39/33/66/388393366.db2.gz MZLVAYUVQUMEQU-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000237561456 388396940 /nfs/dbraw/zinc/39/69/40/388396940.db2.gz RVEFRBQVHMUWCM-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1C ZINC000631668573 388402432 /nfs/dbraw/zinc/40/24/32/388402432.db2.gz BYFRNULKXVIDHN-FIQHERPVSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1C ZINC000631668573 388402436 /nfs/dbraw/zinc/40/24/36/388402436.db2.gz BYFRNULKXVIDHN-FIQHERPVSA-N 2 1 212.337 0.830 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000492229699 388338833 /nfs/dbraw/zinc/33/88/33/388338833.db2.gz NPTZPTXQMDVNDW-GXSJLCMTSA-N 2 1 241.335 0.367 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000492229699 388338834 /nfs/dbraw/zinc/33/88/34/388338834.db2.gz NPTZPTXQMDVNDW-GXSJLCMTSA-N 2 1 241.335 0.367 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000492229700 388338839 /nfs/dbraw/zinc/33/88/39/388338839.db2.gz NPTZPTXQMDVNDW-KOLCDFICSA-N 2 1 241.335 0.367 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000492229700 388338840 /nfs/dbraw/zinc/33/88/40/388338840.db2.gz NPTZPTXQMDVNDW-KOLCDFICSA-N 2 1 241.335 0.367 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C\C[NH+](C)C ZINC000492284500 388340186 /nfs/dbraw/zinc/34/01/86/388340186.db2.gz RAHSVDGSTJLTLQ-UXFRKABBSA-N 2 1 239.363 0.655 20 0 BCADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1cncn1 ZINC000308635514 388446187 /nfs/dbraw/zinc/44/61/87/388446187.db2.gz ONQAHLLMKHNMDH-UHFFFAOYSA-N 2 1 237.351 0.742 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336268342 388456066 /nfs/dbraw/zinc/45/60/66/388456066.db2.gz XMGSIBNCRHBOED-GFCCVEGCSA-N 3 1 211.353 0.657 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000626978486 388457567 /nfs/dbraw/zinc/45/75/67/388457567.db2.gz FPMPLMXBRVOLFI-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336726946 388469575 /nfs/dbraw/zinc/46/95/75/388469575.db2.gz VQFGYHMYIZIXOL-SRVKXCTJSA-N 2 1 239.363 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336726946 388469578 /nfs/dbraw/zinc/46/95/78/388469578.db2.gz VQFGYHMYIZIXOL-SRVKXCTJSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C)CC[N@H+]1C ZINC000648852453 388470774 /nfs/dbraw/zinc/47/07/74/388470774.db2.gz GALFENYIJZSCGF-VXGBXAGGSA-N 2 1 241.379 0.737 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397482412 388473579 /nfs/dbraw/zinc/47/35/79/388473579.db2.gz PQQKYCZWJMYJPG-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397482412 388473581 /nfs/dbraw/zinc/47/35/81/388473581.db2.gz PQQKYCZWJMYJPG-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397480989 388473820 /nfs/dbraw/zinc/47/38/20/388473820.db2.gz NLNOEPKAXXFYJJ-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397480989 388473823 /nfs/dbraw/zinc/47/38/23/388473823.db2.gz NLNOEPKAXXFYJJ-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624387 388412153 /nfs/dbraw/zinc/41/21/53/388412153.db2.gz UYNUPSSSAJQQIK-UHFFFAOYSA-N 2 1 234.303 0.792 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000646686831 388416367 /nfs/dbraw/zinc/41/63/67/388416367.db2.gz YLWIQYKQOPEMII-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000573123969 388421861 /nfs/dbraw/zinc/42/18/61/388421861.db2.gz RARHACZIAKUEET-LBPRGKRZSA-N 2 1 249.362 0.792 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000573123969 388421863 /nfs/dbraw/zinc/42/18/63/388421863.db2.gz RARHACZIAKUEET-LBPRGKRZSA-N 2 1 249.362 0.792 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220609 388434189 /nfs/dbraw/zinc/43/41/89/388434189.db2.gz HACRXBOHSUZUSF-WDEREUQCSA-N 2 1 223.320 0.030 20 0 BCADMP O=C(C1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000517375046 388548672 /nfs/dbraw/zinc/54/86/72/388548672.db2.gz FUUWYSQAGDKKGN-VIFPVBQESA-N 2 1 247.289 0.052 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000646783279 388501940 /nfs/dbraw/zinc/50/19/40/388501940.db2.gz ZPBOAJVVJGAVMK-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C/C[N@H+](C)C[C@@H](C)O ZINC000135601903 388502646 /nfs/dbraw/zinc/50/26/46/388502646.db2.gz WOQQEXFDSULKBT-IEVRTODYSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000564345811 388528578 /nfs/dbraw/zinc/52/85/78/388528578.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000564345811 388528580 /nfs/dbraw/zinc/52/85/80/388528580.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000564345811 388528583 /nfs/dbraw/zinc/52/85/83/388528583.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CC[C@H]1CCN1C[C@H](O)C[N@@H+](C)CC ZINC000517038589 388534825 /nfs/dbraw/zinc/53/48/25/388534825.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000517038589 388534827 /nfs/dbraw/zinc/53/48/27/388534827.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@H+]1C[C@H](O)CN(C)CC ZINC000517038589 388534829 /nfs/dbraw/zinc/53/48/29/388534829.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000517038589 388534831 /nfs/dbraw/zinc/53/48/31/388534831.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000517038589 388534833 /nfs/dbraw/zinc/53/48/33/388534833.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000517038589 388534835 /nfs/dbraw/zinc/53/48/35/388534835.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000517038589 388534838 /nfs/dbraw/zinc/53/48/38/388534838.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000517038588 388534948 /nfs/dbraw/zinc/53/49/48/388534948.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000517038588 388534949 /nfs/dbraw/zinc/53/49/49/388534949.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000517038588 388534952 /nfs/dbraw/zinc/53/49/52/388534952.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000517038588 388534953 /nfs/dbraw/zinc/53/49/53/388534953.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000517038588 388534956 /nfs/dbraw/zinc/53/49/56/388534956.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000517038588 388534959 /nfs/dbraw/zinc/53/49/59/388534959.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000517038588 388534960 /nfs/dbraw/zinc/53/49/60/388534960.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC000245689107 388598593 /nfs/dbraw/zinc/59/85/93/388598593.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367602593 388565559 /nfs/dbraw/zinc/56/55/59/388565559.db2.gz UYKFYRWOCVEBEN-IRCOFANPSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368611730 388568926 /nfs/dbraw/zinc/56/89/26/388568926.db2.gz DSROZCGHSRTCBS-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649293536 388570651 /nfs/dbraw/zinc/57/06/51/388570651.db2.gz WYUUXYVNTRKCBW-UTUOFQBUSA-N 2 1 248.330 0.448 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297539 388575360 /nfs/dbraw/zinc/57/53/60/388575360.db2.gz AMWTUIYQRHXHTL-MLGHIDQZSA-N 2 1 249.358 0.480 20 0 BCADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000649299342 388577324 /nfs/dbraw/zinc/57/73/24/388577324.db2.gz LEIHSZNVHLTPDD-UPJWGTAASA-N 2 1 249.358 0.291 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248491771 388681962 /nfs/dbraw/zinc/68/19/62/388681962.db2.gz OFOAUTAFIAEXLA-IUCAKERBSA-N 2 1 201.314 0.038 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248491770 388682028 /nfs/dbraw/zinc/68/20/28/388682028.db2.gz OFOAUTAFIAEXLA-BDAKNGLRSA-N 2 1 201.314 0.038 20 0 BCADMP CCn1nncc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000530211680 388627741 /nfs/dbraw/zinc/62/77/41/388627741.db2.gz PLBRLQBQNSKJRC-PWSUYJOCSA-N 2 1 237.351 0.776 20 0 BCADMP CC[N@@H+](CC(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000538314281 388684509 /nfs/dbraw/zinc/68/45/09/388684509.db2.gz CJLQGEYAPHYWRL-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530222944 388633934 /nfs/dbraw/zinc/63/39/34/388633934.db2.gz IUIZWDKGAVBJDH-QJPTWQEYSA-N 2 1 227.352 0.082 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530223148 388634045 /nfs/dbraw/zinc/63/40/45/388634045.db2.gz OVCHITABKMLWBW-NDBYEHHHSA-N 2 1 241.379 0.293 20 0 BCADMP CCOC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232436 388636296 /nfs/dbraw/zinc/63/62/96/388636296.db2.gz PCVDVVYVKVFQKK-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328394936 388643009 /nfs/dbraw/zinc/64/30/09/388643009.db2.gz PXNGMWPWRHCJOD-ZJUUUORDSA-N 2 1 216.325 0.066 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000551921750 388647679 /nfs/dbraw/zinc/64/76/79/388647679.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000551921750 388647681 /nfs/dbraw/zinc/64/76/81/388647681.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000551921750 388647685 /nfs/dbraw/zinc/64/76/85/388647685.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 1 248.330 0.335 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[NH+](C)C ZINC000247036876 388657645 /nfs/dbraw/zinc/65/76/45/388657645.db2.gz SRAKONJUVDDNTO-WDEREUQCSA-N 2 1 227.352 0.347 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000067572959 388734887 /nfs/dbraw/zinc/73/48/87/388734887.db2.gz HERQGTFRVKEQPK-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000067572959 388734890 /nfs/dbraw/zinc/73/48/90/388734890.db2.gz HERQGTFRVKEQPK-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H](C(=O)NC1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000552883314 388739568 /nfs/dbraw/zinc/73/95/68/388739568.db2.gz XNEOBVGBUIZSHL-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128158814 388740252 /nfs/dbraw/zinc/74/02/52/388740252.db2.gz GUNSNIKJYZKMJI-GHMZBOCLSA-N 2 1 227.352 0.713 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248648004 388688374 /nfs/dbraw/zinc/68/83/74/388688374.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248648004 388688377 /nfs/dbraw/zinc/68/83/77/388688377.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248648004 388688379 /nfs/dbraw/zinc/68/83/79/388688379.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000252713460 388773803 /nfs/dbraw/zinc/77/38/03/388773803.db2.gz PFBHHZUHYZSKLO-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000252713460 388773809 /nfs/dbraw/zinc/77/38/09/388773809.db2.gz PFBHHZUHYZSKLO-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+](C[C@H](O)CN1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835668 /nfs/dbraw/zinc/83/56/68/388835668.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835670 /nfs/dbraw/zinc/83/56/70/388835670.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835671 /nfs/dbraw/zinc/83/56/71/388835671.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835673 /nfs/dbraw/zinc/83/56/73/388835673.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835675 /nfs/dbraw/zinc/83/56/75/388835675.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936644 388835677 /nfs/dbraw/zinc/83/56/77/388835677.db2.gz YZLHPOGCUZIENY-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP [NH3+]CCCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000069733509 388862605 /nfs/dbraw/zinc/86/26/05/388862605.db2.gz DFKBVEXCTHTGJE-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCn2ccnc2)CC[N@H+]1C ZINC000129661885 388863312 /nfs/dbraw/zinc/86/33/12/388863312.db2.gz OYTGZFIXSMDBGO-NWDGAFQWSA-N 2 1 222.336 0.955 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000564988304 388902619 /nfs/dbraw/zinc/90/26/19/388902619.db2.gz AWXIPHFVSDEHOE-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735297 388881882 /nfs/dbraw/zinc/88/18/82/388881882.db2.gz ORIHFUPZTXAHHN-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H](O)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000564863321 388895098 /nfs/dbraw/zinc/89/50/98/388895098.db2.gz INJYNGMZWMMDMD-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194867061 388900939 /nfs/dbraw/zinc/90/09/39/388900939.db2.gz PSZMASZXMSMHBM-PWSUYJOCSA-N 2 1 235.331 0.753 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000564957547 388901110 /nfs/dbraw/zinc/90/11/10/388901110.db2.gz VIUDGIRCUPINMY-ZETCQYMHSA-N 2 1 242.348 0.459 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000564994148 388906543 /nfs/dbraw/zinc/90/65/43/388906543.db2.gz NNLHJLDZCQHOGT-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CC(=O)N1CC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000565218234 388927084 /nfs/dbraw/zinc/92/70/84/388927084.db2.gz MGFZXPSYKKQBID-NOZJJQNGSA-N 2 1 237.347 0.289 20 0 BCADMP CC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565233678 388929695 /nfs/dbraw/zinc/92/96/95/388929695.db2.gz OJNHYPCGUDIDPF-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565599017 388957079 /nfs/dbraw/zinc/95/70/79/388957079.db2.gz BCKWLKRRWOBDQZ-NSHDSACASA-N 2 1 228.336 0.999 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CCOCC1 ZINC000565897821 388977686 /nfs/dbraw/zinc/97/76/86/388977686.db2.gz KFKNLCQSZZGVBD-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000566008496 388983675 /nfs/dbraw/zinc/98/36/75/388983675.db2.gz JXYMXKLQINMTPX-LLVKDONJSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062861117 169697809 /nfs/dbraw/zinc/69/78/09/169697809.db2.gz PKDXVFMOQOOSDQ-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669143 533377137 /nfs/dbraw/zinc/37/71/37/533377137.db2.gz HZNBWYBUTHUGRT-VXGBXAGGSA-N 2 1 210.321 0.708 20 0 BCADMP CC(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000054856134 132235413 /nfs/dbraw/zinc/23/54/13/132235413.db2.gz QKKBWOCVKAWOMD-UHFFFAOYSA-N 2 1 249.362 0.726 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167528504 134003265 /nfs/dbraw/zinc/00/32/65/134003265.db2.gz WXKSXUQFOIJKDD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000336005304 134049102 /nfs/dbraw/zinc/04/91/02/134049102.db2.gz OWNLYDIOYYJQTA-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170878 134224743 /nfs/dbraw/zinc/22/47/43/134224743.db2.gz ARMKGDSNDKKUJS-WDEREUQCSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170878 134224744 /nfs/dbraw/zinc/22/47/44/134224744.db2.gz ARMKGDSNDKKUJS-WDEREUQCSA-N 2 1 222.336 0.979 20 0 BCADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282299 134274755 /nfs/dbraw/zinc/27/47/55/134274755.db2.gz HDJHWINSFNOYIX-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000175671833 134286635 /nfs/dbraw/zinc/28/66/35/134286635.db2.gz KULYOJINRMHFOF-GFCCVEGCSA-N 2 1 230.352 0.533 20 0 BCADMP COCCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000175671833 134286636 /nfs/dbraw/zinc/28/66/36/134286636.db2.gz KULYOJINRMHFOF-GFCCVEGCSA-N 2 1 230.352 0.533 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC)C1 ZINC000177033433 134293474 /nfs/dbraw/zinc/29/34/74/134293474.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP COC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061447 134296946 /nfs/dbraw/zinc/29/69/46/134296946.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061447 134296947 /nfs/dbraw/zinc/29/69/47/134296947.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061447 134296948 /nfs/dbraw/zinc/29/69/48/134296948.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061447 134296949 /nfs/dbraw/zinc/29/69/49/134296949.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 2 1 228.336 0.964 20 0 BCADMP COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057280 134297037 /nfs/dbraw/zinc/29/70/37/134297037.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057280 134297038 /nfs/dbraw/zinc/29/70/38/134297038.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057280 134297039 /nfs/dbraw/zinc/29/70/39/134297039.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057280 134297040 /nfs/dbraw/zinc/29/70/40/134297040.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907685 134297164 /nfs/dbraw/zinc/29/71/64/134297164.db2.gz YSTDIDGRFXOWKG-SNVBAGLBSA-N 2 1 239.363 0.442 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177838533 134303246 /nfs/dbraw/zinc/30/32/46/134303246.db2.gz RNKNOBUKEQSHPR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177838533 134303247 /nfs/dbraw/zinc/30/32/47/134303247.db2.gz RNKNOBUKEQSHPR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177838533 134303248 /nfs/dbraw/zinc/30/32/48/134303248.db2.gz RNKNOBUKEQSHPR-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP C[NH2+]CCCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747096 134310869 /nfs/dbraw/zinc/31/08/69/134310869.db2.gz KXWJMQVDJAKBMN-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747340 134310884 /nfs/dbraw/zinc/31/08/84/134310884.db2.gz KWCQGQJBKLCGCC-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000178836240 134315865 /nfs/dbraw/zinc/31/58/65/134315865.db2.gz WRQFMAQSJKVKQU-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815736 134315876 /nfs/dbraw/zinc/31/58/76/134315876.db2.gz ZMLYDHBTEYQVGX-MXWKQRLJSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867284 134316199 /nfs/dbraw/zinc/31/61/99/134316199.db2.gz IRJGTILJGFOWAD-SCVCMEIPSA-N 2 1 237.347 0.480 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000221794814 134326141 /nfs/dbraw/zinc/32/61/41/134326141.db2.gz ZWTYIDXJACTUMZ-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CCn1cnnc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222027313 134329178 /nfs/dbraw/zinc/32/91/78/134329178.db2.gz KNEZPDMFAAGYLY-WDEREUQCSA-N 2 1 237.351 0.870 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCO1 ZINC000223077751 134336356 /nfs/dbraw/zinc/33/63/56/134336356.db2.gz LVOJOZDFIRHKRP-OUAUKWLOSA-N 2 1 216.325 0.066 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224045326 134344406 /nfs/dbraw/zinc/34/44/06/134344406.db2.gz HHPWQHLPGUFKJT-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224910466 134350592 /nfs/dbraw/zinc/35/05/92/134350592.db2.gz BWOWLWYCQMICCU-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226508600 134364055 /nfs/dbraw/zinc/36/40/55/134364055.db2.gz CYCUXMXHVSZRAI-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227452886 134380255 /nfs/dbraw/zinc/38/02/55/134380255.db2.gz QDCJJUHYKONMBA-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931525 134791852 /nfs/dbraw/zinc/79/18/52/134791852.db2.gz JNFGGLDDRHUSFE-SNVBAGLBSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248662297 135018271 /nfs/dbraw/zinc/01/82/71/135018271.db2.gz YGRFFFNXUVEJEC-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395336 135053764 /nfs/dbraw/zinc/05/37/64/135053764.db2.gz YNAYMAZDMGLJSQ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250496403 135056169 /nfs/dbraw/zinc/05/61/69/135056169.db2.gz NPKKGTVJUCRDTM-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250496403 135056170 /nfs/dbraw/zinc/05/61/70/135056170.db2.gz NPKKGTVJUCRDTM-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250496408 135056498 /nfs/dbraw/zinc/05/64/98/135056498.db2.gz NPKKGTVJUCRDTM-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250496408 135056500 /nfs/dbraw/zinc/05/65/00/135056500.db2.gz NPKKGTVJUCRDTM-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250863824 135060486 /nfs/dbraw/zinc/06/04/86/135060486.db2.gz QWEZVVVHHNEXEP-GHMZBOCLSA-N 2 1 225.336 0.468 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251309867 135068092 /nfs/dbraw/zinc/06/80/92/135068092.db2.gz JVHKYINWXHRIJD-NWDGAFQWSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646577 135073085 /nfs/dbraw/zinc/07/30/85/135073085.db2.gz GEKSOVGSMWNEFB-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251749444 135076590 /nfs/dbraw/zinc/07/65/90/135076590.db2.gz DCIJECMRBAGGJE-RCWTZXSCSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251749444 135076591 /nfs/dbraw/zinc/07/65/91/135076591.db2.gz DCIJECMRBAGGJE-RCWTZXSCSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000251799546 135077492 /nfs/dbraw/zinc/07/74/92/135077492.db2.gz NWPSSCNPVYZVNX-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251783166 135078254 /nfs/dbraw/zinc/07/82/54/135078254.db2.gz NAUBAUIABXHOLK-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP COCC[N@@H+](CCOCC[NH3+])CC(C)C ZINC000086435532 135084091 /nfs/dbraw/zinc/08/40/91/135084091.db2.gz XPQDGUYZZPJOCX-UHFFFAOYSA-N 2 1 218.341 0.566 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435490 135084149 /nfs/dbraw/zinc/08/41/49/135084149.db2.gz FCOQCUVWKDNXKU-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000086435575 135084465 /nfs/dbraw/zinc/08/44/65/135084465.db2.gz AURJQIBNXXKPOF-GHMZBOCLSA-N 2 1 214.309 0.215 20 0 BCADMP CC1(C)C[N@@H+](CCOCC[NH3+])CCO1 ZINC000086435415 135084778 /nfs/dbraw/zinc/08/47/78/135084778.db2.gz ZRFXLLBLEBZXGL-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252137365 135085061 /nfs/dbraw/zinc/08/50/61/135085061.db2.gz MSNJCURMHZQZBY-OPRDCNLKSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)CC[N@@H+]1C ZINC000252196509 135086956 /nfs/dbraw/zinc/08/69/56/135086956.db2.gz VPIYXIUFJZTWPE-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)CC[N@H+]1C ZINC000252196509 135086957 /nfs/dbraw/zinc/08/69/57/135086957.db2.gz VPIYXIUFJZTWPE-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000252385813 135087399 /nfs/dbraw/zinc/08/73/99/135087399.db2.gz KMEHOFPZBWQXGE-FVCCEPFGSA-N 2 1 242.363 0.720 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252709801 135099567 /nfs/dbraw/zinc/09/95/67/135099567.db2.gz DWIFAELSDXRBIG-RNJOBUHISA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252709801 135099570 /nfs/dbraw/zinc/09/95/70/135099570.db2.gz DWIFAELSDXRBIG-RNJOBUHISA-N 2 1 242.363 0.863 20 0 BCADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712051 135100082 /nfs/dbraw/zinc/10/00/82/135100082.db2.gz LIKSHQMZLVBYJP-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714823 135101855 /nfs/dbraw/zinc/10/18/55/135101855.db2.gz TUTPJNIVOOPGBE-GRYCIOLGSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000252714823 135101857 /nfs/dbraw/zinc/10/18/57/135101857.db2.gz TUTPJNIVOOPGBE-GRYCIOLGSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000252714823 135101859 /nfs/dbraw/zinc/10/18/59/135101859.db2.gz TUTPJNIVOOPGBE-GRYCIOLGSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000086930512 135102556 /nfs/dbraw/zinc/10/25/56/135102556.db2.gz RXUIICOHDKVPIY-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252744609 135106399 /nfs/dbraw/zinc/10/63/99/135106399.db2.gz SHFKVNCYYWLTOG-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252744609 135106401 /nfs/dbraw/zinc/10/64/01/135106401.db2.gz SHFKVNCYYWLTOG-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252762720 135108240 /nfs/dbraw/zinc/10/82/40/135108240.db2.gz HFXGTXOXRDXOJM-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252762720 135108241 /nfs/dbraw/zinc/10/82/41/135108241.db2.gz HFXGTXOXRDXOJM-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP COCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252770255 135108403 /nfs/dbraw/zinc/10/84/03/135108403.db2.gz HWIJTXRMNMKRIJ-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP COCCCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252770255 135108405 /nfs/dbraw/zinc/10/84/05/135108405.db2.gz HWIJTXRMNMKRIJ-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252847527 135112759 /nfs/dbraw/zinc/11/27/59/135112759.db2.gz GDTXBXRXPAQOPM-DCAQKATOSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843198 135112828 /nfs/dbraw/zinc/11/28/28/135112828.db2.gz CZAULXQRYHASPJ-RHYQMDGZSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252847529 135113340 /nfs/dbraw/zinc/11/33/40/135113340.db2.gz GDTXBXRXPAQOPM-GARJFASQSA-N 2 1 212.337 0.817 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262314289 135117881 /nfs/dbraw/zinc/11/78/81/135117881.db2.gz DEDYXMKZSQMKHG-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP Cc1ccc(NCCCNC(=O)C[NH3+])[nH+]c1 ZINC000262642154 135120415 /nfs/dbraw/zinc/12/04/15/135120415.db2.gz LJJHKMDNFOQXJX-UHFFFAOYSA-N 2 1 222.292 0.267 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000253184643 135123293 /nfs/dbraw/zinc/12/32/93/135123293.db2.gz JYEJKDLJDFXJEV-ZYHUDNBSSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000253199112 135123808 /nfs/dbraw/zinc/12/38/08/135123808.db2.gz WDYGVAJVIUHNJG-OPRDCNLKSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000253199112 135123809 /nfs/dbraw/zinc/12/38/09/135123809.db2.gz WDYGVAJVIUHNJG-OPRDCNLKSA-N 2 1 213.325 0.323 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)CC(C)(C)[NH3+] ZINC000258701935 135133490 /nfs/dbraw/zinc/13/34/90/135133490.db2.gz CDTLEIAVWXBOJF-NSHDSACASA-N 2 1 213.369 0.997 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000257697830 135140179 /nfs/dbraw/zinc/14/01/79/135140179.db2.gz NLFJEJOSPQIOQD-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261527311 135151214 /nfs/dbraw/zinc/15/12/14/135151214.db2.gz RXZBOCKQFQPUJU-TUAOUCFPSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261535017 135168496 /nfs/dbraw/zinc/16/84/96/135168496.db2.gz VRLOOPGQJUZZKL-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261535017 135168497 /nfs/dbraw/zinc/16/84/97/135168497.db2.gz VRLOOPGQJUZZKL-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CO ZINC000261536668 135171823 /nfs/dbraw/zinc/17/18/23/135171823.db2.gz SKUVSBUDJUYXEC-PWSUYJOCSA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261538050 135175477 /nfs/dbraw/zinc/17/54/77/135175477.db2.gz XHAIATBDEUZOMD-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261538050 135175478 /nfs/dbraw/zinc/17/54/78/135175478.db2.gz XHAIATBDEUZOMD-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261538573 135176081 /nfs/dbraw/zinc/17/60/81/135176081.db2.gz YPZASNNSXXQWSF-NXEZZACHSA-N 2 1 200.326 0.959 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000261540144 135179329 /nfs/dbraw/zinc/17/93/29/135179329.db2.gz DWKWFORBWOYJLU-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000261541983 135181828 /nfs/dbraw/zinc/18/18/28/135181828.db2.gz GFXQQFIBKDJPIF-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261543878 135184765 /nfs/dbraw/zinc/18/47/65/135184765.db2.gz WLGHSQBGXLXNMT-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261543878 135184767 /nfs/dbraw/zinc/18/47/67/135184767.db2.gz WLGHSQBGXLXNMT-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000261543522 135184885 /nfs/dbraw/zinc/18/48/85/135184885.db2.gz UAUSAVAFGFJIHW-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000084181751 135190399 /nfs/dbraw/zinc/19/03/99/135190399.db2.gz GMMKDJIHIMBLBX-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1COCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261554435 135194794 /nfs/dbraw/zinc/19/47/94/135194794.db2.gz UDTSYQFRZTYYOI-NSHDSACASA-N 2 1 212.337 0.954 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560373 135201518 /nfs/dbraw/zinc/20/15/18/135201518.db2.gz ZULZKWFFQGOQOA-QJPTWQEYSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570375 135212523 /nfs/dbraw/zinc/21/25/23/135212523.db2.gz GUIVNZOKQWVKMX-CABZTGNLSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570375 135212524 /nfs/dbraw/zinc/21/25/24/135212524.db2.gz GUIVNZOKQWVKMX-CABZTGNLSA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)[C@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261572844 135214799 /nfs/dbraw/zinc/21/47/99/135214799.db2.gz IKDNKKKHSBVPRJ-LLVKDONJSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261572844 135214801 /nfs/dbraw/zinc/21/48/01/135214801.db2.gz IKDNKKKHSBVPRJ-LLVKDONJSA-N 2 1 214.309 0.609 20 0 BCADMP [NH3+]CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000261575487 135216920 /nfs/dbraw/zinc/21/69/20/135216920.db2.gz JUQDZWCOIIMLGX-AAEUAGOBSA-N 2 1 223.364 0.894 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579185 135220008 /nfs/dbraw/zinc/22/00/08/135220008.db2.gz MEIMACNNJLUJSD-LBPRGKRZSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579185 135220010 /nfs/dbraw/zinc/22/00/10/135220010.db2.gz MEIMACNNJLUJSD-LBPRGKRZSA-N 3 1 211.353 0.799 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261582305 135223044 /nfs/dbraw/zinc/22/30/44/135223044.db2.gz ODEPKXAVMYKBBS-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261582305 135223045 /nfs/dbraw/zinc/22/30/45/135223045.db2.gz ODEPKXAVMYKBBS-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC(F)F ZINC000261583271 135224233 /nfs/dbraw/zinc/22/42/33/135224233.db2.gz OWYYJVTVRPYXHO-DTWKUNHWSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC(F)F ZINC000261583270 135224421 /nfs/dbraw/zinc/22/44/21/135224421.db2.gz OWYYJVTVRPYXHO-BDAKNGLRSA-N 2 1 222.279 0.937 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261587304 135228241 /nfs/dbraw/zinc/22/82/41/135228241.db2.gz RQXCREYCOUGNCD-LDYMZIIASA-N 2 1 208.309 0.887 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261587304 135228243 /nfs/dbraw/zinc/22/82/43/135228243.db2.gz RQXCREYCOUGNCD-LDYMZIIASA-N 2 1 208.309 0.887 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](CCOCC(F)F)C1 ZINC000261588391 135229126 /nfs/dbraw/zinc/22/91/26/135229126.db2.gz SIUIEPCMWBMBOB-SNVBAGLBSA-N 2 1 222.279 0.939 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOCC(F)F)C1 ZINC000261588391 135229128 /nfs/dbraw/zinc/22/91/28/135229128.db2.gz SIUIEPCMWBMBOB-SNVBAGLBSA-N 2 1 222.279 0.939 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261590312 135231103 /nfs/dbraw/zinc/23/11/03/135231103.db2.gz UMFQIVHIEUBDHO-LBPRGKRZSA-N 2 1 220.320 0.569 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261591687 135232029 /nfs/dbraw/zinc/23/20/29/135232029.db2.gz VMDBDEWNDUFIPB-ZYHUDNBSSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693638 135245972 /nfs/dbraw/zinc/24/59/72/135245972.db2.gz BPQSFNSFNGIRRA-WOPDTQHZSA-N 2 1 212.337 0.546 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261719119 135247521 /nfs/dbraw/zinc/24/75/21/135247521.db2.gz CIBLXLXPHZSXKL-GFCCVEGCSA-N 2 1 227.352 0.524 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716677 135247688 /nfs/dbraw/zinc/24/76/88/135247688.db2.gz FFKNHJZTGJLLBK-OLZOCXBDSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC2=[NH+]CCCN2)C1 ZINC000261749536 135249947 /nfs/dbraw/zinc/24/99/47/135249947.db2.gz JPZAGQUANARWFH-NSHDSACASA-N 2 1 224.352 0.657 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772832 135251696 /nfs/dbraw/zinc/25/16/96/135251696.db2.gz MWNFWAOEOSJXDL-RYUDHWBXSA-N 2 1 225.336 0.183 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261769090 135251756 /nfs/dbraw/zinc/25/17/56/135251756.db2.gz MKYWZZXTEUKWSW-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261769090 135251757 /nfs/dbraw/zinc/25/17/57/135251757.db2.gz MKYWZZXTEUKWSW-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP CCN1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C1=O ZINC000261794385 135253343 /nfs/dbraw/zinc/25/33/43/135253343.db2.gz GKFFENZYRISLAZ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261795927 135253346 /nfs/dbraw/zinc/25/33/46/135253346.db2.gz GNLNIEKAMCGMRN-JTQLQIEISA-N 2 1 228.336 0.856 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000261809031 135254405 /nfs/dbraw/zinc/25/44/05/135254405.db2.gz WRMMFHBSLWQXLU-NSHDSACASA-N 2 1 248.330 0.670 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261811339 135254477 /nfs/dbraw/zinc/25/44/77/135254477.db2.gz HREOSDDXRROIIQ-IJLUTSLNSA-N 2 1 239.363 0.429 20 0 BCADMP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875137 135259284 /nfs/dbraw/zinc/25/92/84/135259284.db2.gz POTSMMIMBLARCW-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875137 135259285 /nfs/dbraw/zinc/25/92/85/135259285.db2.gz POTSMMIMBLARCW-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000261871363 135259346 /nfs/dbraw/zinc/25/93/46/135259346.db2.gz QRUQHTRXGNOSKN-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261900090 135261056 /nfs/dbraw/zinc/26/10/56/135261056.db2.gz YVSGLVHKLAHNFD-QXEWZRGKSA-N 2 1 225.336 0.323 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925970 135263346 /nfs/dbraw/zinc/26/33/46/135263346.db2.gz CFHWTKRDQSEXFZ-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](OCCO)C2)CC[NH2+]C1 ZINC000261980319 135268692 /nfs/dbraw/zinc/26/86/92/135268692.db2.gz JCHNLJYVEHMOLC-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005273 135271243 /nfs/dbraw/zinc/27/12/43/135271243.db2.gz LSEWAZVWZQDMLY-JQWIXIFHSA-N 2 1 226.320 0.481 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261999387 135271482 /nfs/dbraw/zinc/27/14/82/135271482.db2.gz LELBTJJVJWJBKL-PWSUYJOCSA-N 2 1 228.336 0.727 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@]1(C)CC[NH2+]C1 ZINC000262009207 135271953 /nfs/dbraw/zinc/27/19/53/135271953.db2.gz MCQSSJYRVAQOIZ-CYBMUJFWSA-N 2 1 234.347 0.951 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@]1(C)CC[NH2+]C1 ZINC000262009207 135271954 /nfs/dbraw/zinc/27/19/54/135271954.db2.gz MCQSSJYRVAQOIZ-CYBMUJFWSA-N 2 1 234.347 0.951 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262070840 135277262 /nfs/dbraw/zinc/27/72/62/135277262.db2.gz SLAINNHHSXYAIS-LBPRGKRZSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075426 135277477 /nfs/dbraw/zinc/27/74/77/135277477.db2.gz SODZOHCUBWVQPD-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP C[N@@H+](CCn1cccn1)C[C@]1(C)CC[NH2+]C1 ZINC000262092180 135278459 /nfs/dbraw/zinc/27/84/59/135278459.db2.gz UWESPQHJJKPSRE-GFCCVEGCSA-N 2 1 222.336 0.815 20 0 BCADMP C[N@@H+](CCn1cccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000262092181 135279036 /nfs/dbraw/zinc/27/90/36/135279036.db2.gz UWESPQHJJKPSRE-LBPRGKRZSA-N 2 1 222.336 0.815 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000262137862 135281481 /nfs/dbraw/zinc/28/14/81/135281481.db2.gz YWDBDZUJPNNPHT-WZRBSPASSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000262137862 135281482 /nfs/dbraw/zinc/28/14/82/135281482.db2.gz YWDBDZUJPNNPHT-WZRBSPASSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262178076 135284031 /nfs/dbraw/zinc/28/40/31/135284031.db2.gz WFMOUWWEYKYKMI-UPJWGTAASA-N 2 1 223.364 0.622 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CC(N)=O)C(C)C ZINC000342560488 135288884 /nfs/dbraw/zinc/28/88/84/135288884.db2.gz ZDTDZLLOXRRQQA-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CC(N)=O)C(C)C ZINC000342560488 135288885 /nfs/dbraw/zinc/28/88/85/135288885.db2.gz ZDTDZLLOXRRQQA-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262306064 135292268 /nfs/dbraw/zinc/29/22/68/135292268.db2.gz YFCBXBHWPFSDFN-OLZOCXBDSA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262306064 135292270 /nfs/dbraw/zinc/29/22/70/135292270.db2.gz YFCBXBHWPFSDFN-OLZOCXBDSA-N 3 1 223.364 0.812 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000262461395 135300052 /nfs/dbraw/zinc/30/00/52/135300052.db2.gz XQEJZBPOLWSMME-GFCCVEGCSA-N 2 1 238.379 0.903 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000262651300 135311310 /nfs/dbraw/zinc/31/13/10/135311310.db2.gz XPPKRQIIJMJSOW-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342754434 135311845 /nfs/dbraw/zinc/31/18/45/135311845.db2.gz QXZOCKXLCWEGSP-BDAKNGLRSA-N 2 1 249.305 0.331 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1C ZINC000262682935 135313132 /nfs/dbraw/zinc/31/31/32/135313132.db2.gz YWMCKKJIAKUCBE-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342723854 135314882 /nfs/dbraw/zinc/31/48/82/135314882.db2.gz UGWMMTYFOXNVQA-JTQLQIEISA-N 2 1 213.325 0.052 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263106945 135333474 /nfs/dbraw/zinc/33/34/74/135333474.db2.gz ZZAMWZZKGISPET-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000334381975 135381472 /nfs/dbraw/zinc/38/14/72/135381472.db2.gz KBAGYQMDCUQXAE-GFCCVEGCSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH3+] ZINC000335293640 136004995 /nfs/dbraw/zinc/00/49/95/136004995.db2.gz FNCALCBVGYZMJX-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000348069702 136026370 /nfs/dbraw/zinc/02/63/70/136026370.db2.gz HXWDTMBLRKGART-LPWJVIDDSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C=C[C@H](CO)C1 ZINC000348069705 136026594 /nfs/dbraw/zinc/02/65/94/136026594.db2.gz HXWDTMBLRKGART-VOAKCMCISA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000335341154 136063932 /nfs/dbraw/zinc/06/39/32/136063932.db2.gz FLDCBQRYGDJCER-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000335341543 136064253 /nfs/dbraw/zinc/06/42/53/136064253.db2.gz LJQJHARCHUBGEX-JTQLQIEISA-N 2 1 229.299 0.028 20 0 BCADMP C[C@H]1C[C@H](C)[NH+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000335350700 136068949 /nfs/dbraw/zinc/06/89/49/136068949.db2.gz QYGBGPIKBRPKRA-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380577 136087525 /nfs/dbraw/zinc/08/75/25/136087525.db2.gz NKWFGZQEJBCDBM-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH3+] ZINC000335562679 136106549 /nfs/dbraw/zinc/10/65/49/136106549.db2.gz KNFHWIPQDVFQMY-MNOVXSKESA-N 2 1 227.352 0.380 20 0 BCADMP [NH3+]CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000335562260 136106810 /nfs/dbraw/zinc/10/68/10/136106810.db2.gz AWAPJUNIHIBDDC-LLVKDONJSA-N 2 1 206.289 0.929 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000446361579 397947758 /nfs/dbraw/zinc/94/77/58/397947758.db2.gz CRPKZVUGDHQVJB-WDEREUQCSA-N 2 1 245.342 0.533 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361218 397947790 /nfs/dbraw/zinc/94/77/90/397947790.db2.gz YZKCFKPIIMPVKR-NHCYSSNCSA-N 2 1 237.347 0.195 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133347 397903465 /nfs/dbraw/zinc/90/34/65/397903465.db2.gz AJBYAFPWFHMKST-NSHDSACASA-N 2 1 215.341 0.572 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164995869 398001426 /nfs/dbraw/zinc/00/14/26/398001426.db2.gz PYPCRECCRQFSHS-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000165016057 398001777 /nfs/dbraw/zinc/00/17/77/398001777.db2.gz ZQFJZSRYFVLSMP-LLVKDONJSA-N 2 1 230.352 0.722 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705222 398021601 /nfs/dbraw/zinc/02/16/01/398021601.db2.gz NSCOJXBHMGSBRK-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP CNC(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414764802 398028570 /nfs/dbraw/zinc/02/85/70/398028570.db2.gz AZJFABMVSDOYAU-UHFFFAOYSA-N 2 1 247.342 0.968 20 0 BCADMP CNC(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414764802 398028572 /nfs/dbraw/zinc/02/85/72/398028572.db2.gz AZJFABMVSDOYAU-UHFFFAOYSA-N 2 1 247.342 0.968 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000383581374 398029800 /nfs/dbraw/zinc/02/98/00/398029800.db2.gz LZWLEWQSYCBGDC-UPJWGTAASA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000383581374 398029805 /nfs/dbraw/zinc/02/98/05/398029805.db2.gz LZWLEWQSYCBGDC-UPJWGTAASA-N 2 1 242.363 0.335 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000383585837 398030203 /nfs/dbraw/zinc/03/02/03/398030203.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000383585837 398030204 /nfs/dbraw/zinc/03/02/04/398030204.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000383585837 398030206 /nfs/dbraw/zinc/03/02/06/398030206.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000383585837 398030207 /nfs/dbraw/zinc/03/02/07/398030207.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1C[N@@H+](CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934790 398034227 /nfs/dbraw/zinc/03/42/27/398034227.db2.gz QGNFYFJERRLDCQ-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP COCCOCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585531 397977549 /nfs/dbraw/zinc/97/75/49/397977549.db2.gz WATCPBUQAUNKIO-BETUJISGSA-N 2 1 242.363 0.581 20 0 BCADMP COCCOCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585531 397977555 /nfs/dbraw/zinc/97/75/55/397977555.db2.gz WATCPBUQAUNKIO-BETUJISGSA-N 2 1 242.363 0.581 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063334 /nfs/dbraw/zinc/06/33/34/398063334.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063337 /nfs/dbraw/zinc/06/33/37/398063337.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063339 /nfs/dbraw/zinc/06/33/39/398063339.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 2 1 244.379 0.249 20 0 BCADMP C[NH2+][C@H](C)c1cn(CCn2cc[nH+]c2C)nn1 ZINC000384074982 398064457 /nfs/dbraw/zinc/06/44/57/398064457.db2.gz RPHSUBZLLOIAMC-SECBINFHSA-N 2 1 234.307 0.764 20 0 BCADMP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000566121466 398096620 /nfs/dbraw/zinc/09/66/20/398096620.db2.gz HGLWMVSAMCLJGO-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566121466 398096624 /nfs/dbraw/zinc/09/66/24/398096624.db2.gz HGLWMVSAMCLJGO-WCFLWFBJSA-N 2 1 242.363 0.599 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cncn1C ZINC000649762691 398091762 /nfs/dbraw/zinc/09/17/62/398091762.db2.gz UMUXKZVJGSMCSO-MWLCHTKSSA-N 2 1 225.292 0.002 20 0 BCADMP COC[C@H]1C[C@@H](O)CN1Cc1cncn1C ZINC000649762691 398091765 /nfs/dbraw/zinc/09/17/65/398091765.db2.gz UMUXKZVJGSMCSO-MWLCHTKSSA-N 2 1 225.292 0.002 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000061995880 398110877 /nfs/dbraw/zinc/11/08/77/398110877.db2.gz JSGAZZFUVXBKKV-LLVKDONJSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308749772 171286296 /nfs/dbraw/zinc/28/62/96/171286296.db2.gz TWAQTGKVONLSQZ-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308749772 171286298 /nfs/dbraw/zinc/28/62/98/171286298.db2.gz TWAQTGKVONLSQZ-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000389708068 398125284 /nfs/dbraw/zinc/12/52/84/398125284.db2.gz LJYQNXWRVDUPJP-ONGXEEELSA-N 2 1 208.309 0.621 20 0 BCADMP COCC(COC)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000385027353 398127851 /nfs/dbraw/zinc/12/78/51/398127851.db2.gz JRDOLXHZKPUDFI-QWRGUYRKSA-N 2 1 230.352 0.720 20 0 BCADMP COCC(COC)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000385027353 398127855 /nfs/dbraw/zinc/12/78/55/398127855.db2.gz JRDOLXHZKPUDFI-QWRGUYRKSA-N 2 1 230.352 0.720 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000572330599 398133499 /nfs/dbraw/zinc/13/34/99/398133499.db2.gz YLSSVYRDZFJLPL-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000572330599 398133503 /nfs/dbraw/zinc/13/35/03/398133503.db2.gz YLSSVYRDZFJLPL-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000572330599 398133507 /nfs/dbraw/zinc/13/35/07/398133507.db2.gz YLSSVYRDZFJLPL-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250768754 167050636 /nfs/dbraw/zinc/05/06/36/167050636.db2.gz SDNONRDWZXDJLL-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250768754 167050640 /nfs/dbraw/zinc/05/06/40/167050640.db2.gz SDNONRDWZXDJLL-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000300014897 173347458 /nfs/dbraw/zinc/34/74/58/173347458.db2.gz ACSZCFDDFHQTAF-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCOC3)CC[N@H+]2C1 ZINC000095015564 487566447 /nfs/dbraw/zinc/56/64/47/487566447.db2.gz JSZXLGPKWCXSBP-UTUOFQBUSA-N 2 1 210.321 0.992 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000082241616 487580969 /nfs/dbraw/zinc/58/09/69/487580969.db2.gz LKMIXNLUILGESB-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000383163447 487589499 /nfs/dbraw/zinc/58/94/99/487589499.db2.gz MFMROKLFSHIXFM-VXGBXAGGSA-N 2 1 244.379 0.845 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000383163436 487589416 /nfs/dbraw/zinc/58/94/16/487589416.db2.gz MFMROKLFSHIXFM-RYUDHWBXSA-N 2 1 244.379 0.845 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000669391382 487596986 /nfs/dbraw/zinc/59/69/86/487596986.db2.gz WAFGWGLJHZSWLW-HBNTYKKESA-N 2 1 240.351 0.260 20 0 BCADMP CC(C)S(=O)(=O)CCC[NH2+]CC1([NH3+])CCC1 ZINC000342129766 167318378 /nfs/dbraw/zinc/31/83/78/167318378.db2.gz HHZLYTSAWHENDE-UHFFFAOYSA-N 2 1 248.392 0.671 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662263834 409562012 /nfs/dbraw/zinc/56/20/12/409562012.db2.gz OUBKGUCVFQWMBJ-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662266891 409569325 /nfs/dbraw/zinc/56/93/25/409569325.db2.gz QBOMEPHDPYRKOA-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294148 409624947 /nfs/dbraw/zinc/62/49/47/409624947.db2.gz PMFLXCUMPPULIA-LLVKDONJSA-N 2 1 225.336 0.183 20 0 BCADMP N[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1F ZINC000662323848 409639555 /nfs/dbraw/zinc/63/95/55/409639555.db2.gz SCEKIMHCTMXRFS-GHMZBOCLSA-N 2 1 215.316 0.357 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000662278361 409595839 /nfs/dbraw/zinc/59/58/39/409595839.db2.gz GEFFVPIVVXLGMH-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000662278365 409597334 /nfs/dbraw/zinc/59/73/34/409597334.db2.gz GEFFVPIVVXLGMH-AVGNSLFASA-N 2 1 241.379 0.389 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000662280519 409600819 /nfs/dbraw/zinc/60/08/19/409600819.db2.gz FTVKAAYNXCBCIA-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000662280519 409600822 /nfs/dbraw/zinc/60/08/22/409600822.db2.gz FTVKAAYNXCBCIA-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653112891 409823811 /nfs/dbraw/zinc/82/38/11/409823811.db2.gz MCIRELGOSVUKCV-MRVPVSSYSA-N 2 1 247.289 0.323 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653112891 409823820 /nfs/dbraw/zinc/82/38/20/409823820.db2.gz MCIRELGOSVUKCV-MRVPVSSYSA-N 2 1 247.289 0.323 20 0 BCADMP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+](C)C1CC1 ZINC000653116857 409830530 /nfs/dbraw/zinc/83/05/30/409830530.db2.gz WMMGEGALXNUTMA-MRVPVSSYSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+](C)C1CC1 ZINC000653116857 409830534 /nfs/dbraw/zinc/83/05/34/409830534.db2.gz WMMGEGALXNUTMA-MRVPVSSYSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662681269 409833647 /nfs/dbraw/zinc/83/36/47/409833647.db2.gz DLBGHGKJVNPSAN-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623619 409792091 /nfs/dbraw/zinc/79/20/91/409792091.db2.gz ZKKVNGZMKYOTNE-JTQLQIEISA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623663 409795470 /nfs/dbraw/zinc/79/54/70/409795470.db2.gz ZOGIWTWRAARMEV-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])[C@@H]1CCCOC1 ZINC000308787843 409905378 /nfs/dbraw/zinc/90/53/78/409905378.db2.gz HCCMKEVYQUQBFZ-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000662720004 409869514 /nfs/dbraw/zinc/86/95/14/409869514.db2.gz NXJHRDLCKMTRTP-SRVKXCTJSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662775457 409895675 /nfs/dbraw/zinc/89/56/75/409895675.db2.gz WFLQJDDDRNYXJD-WKEGUHRASA-N 2 1 243.257 0.428 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)CN(C[C@H](C)O)C1CC1 ZINC000660925702 409974974 /nfs/dbraw/zinc/97/49/74/409974974.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000660925702 409974981 /nfs/dbraw/zinc/97/49/81/409974981.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000660925702 409974987 /nfs/dbraw/zinc/97/49/87/409974987.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839437 409949915 /nfs/dbraw/zinc/94/99/15/409949915.db2.gz QPRWLDURWSQYMO-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000334356533 410010997 /nfs/dbraw/zinc/01/09/97/410010997.db2.gz NPRDGJDYMMNVLE-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000334356533 410011008 /nfs/dbraw/zinc/01/10/08/410011008.db2.gz NPRDGJDYMMNVLE-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC000334356533 410011016 /nfs/dbraw/zinc/01/10/16/410011016.db2.gz NPRDGJDYMMNVLE-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000334356533 410011023 /nfs/dbraw/zinc/01/10/23/410011023.db2.gz NPRDGJDYMMNVLE-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653175946 410153369 /nfs/dbraw/zinc/15/33/69/410153369.db2.gz GTJNFYSXAAQNDO-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CNC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158081879 410173980 /nfs/dbraw/zinc/17/39/80/410173980.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CC1(C)C[N@@H+](CCOCC[NH3+])CCCO1 ZINC000308980075 410192200 /nfs/dbraw/zinc/19/22/00/410192200.db2.gz HUQZWBXBABJGDP-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000309198667 410268434 /nfs/dbraw/zinc/26/84/34/410268434.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000309198667 410268440 /nfs/dbraw/zinc/26/84/40/410268440.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000309198667 410268444 /nfs/dbraw/zinc/26/84/44/410268444.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000309198667 410268448 /nfs/dbraw/zinc/26/84/48/410268448.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CNC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663512628 410282351 /nfs/dbraw/zinc/28/23/51/410282351.db2.gz GVQQRLYRZZIEJZ-NNYUYHANSA-N 2 1 211.353 0.572 20 0 BCADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714244 410348636 /nfs/dbraw/zinc/34/86/36/410348636.db2.gz WZCIIPOMJCKCDX-GHMZBOCLSA-N 3 1 211.353 0.703 20 0 BCADMP N[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761501 410409362 /nfs/dbraw/zinc/40/93/62/410409362.db2.gz ANTZBQLEXNSYCF-NWDGAFQWSA-N 2 1 211.353 0.846 20 0 BCADMP C[C@H]([NH3+])CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000634808917 410743551 /nfs/dbraw/zinc/74/35/51/410743551.db2.gz GNBYJJOHLFCVJA-YUMQZZPRSA-N 2 1 225.296 0.028 20 0 BCADMP CO[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000393358757 410677902 /nfs/dbraw/zinc/67/79/02/410677902.db2.gz YLOFIPMYDZGMBT-OLZOCXBDSA-N 2 1 238.331 0.626 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000393358757 410677911 /nfs/dbraw/zinc/67/79/11/410677911.db2.gz YLOFIPMYDZGMBT-OLZOCXBDSA-N 2 1 238.331 0.626 20 0 BCADMP CO[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000393358759 410677988 /nfs/dbraw/zinc/67/79/88/410677988.db2.gz YLOFIPMYDZGMBT-STQMWFEESA-N 2 1 238.331 0.626 20 0 BCADMP CO[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000393358759 410677994 /nfs/dbraw/zinc/67/79/94/410677994.db2.gz YLOFIPMYDZGMBT-STQMWFEESA-N 2 1 238.331 0.626 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000655489699 410797708 /nfs/dbraw/zinc/79/77/08/410797708.db2.gz ZYCVDZLIDOVWOR-KXUCPTDWSA-N 2 1 243.376 0.105 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665296011 410802375 /nfs/dbraw/zinc/80/23/75/410802375.db2.gz LOPVFVJKXHEIOW-TUAOUCFPSA-N 2 1 211.353 0.811 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673671 410886124 /nfs/dbraw/zinc/88/61/24/410886124.db2.gz BEZIYXRYOQMVKT-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037610133 167098070 /nfs/dbraw/zinc/09/80/70/167098070.db2.gz YHRGXKDFFOLXKL-VXGBXAGGSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH2+]CCN1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000377068680 167103956 /nfs/dbraw/zinc/10/39/56/167103956.db2.gz SQNALXKKAHSATA-ZDUSSCGKSA-N 2 1 243.395 0.373 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000309293790 410918664 /nfs/dbraw/zinc/91/86/64/410918664.db2.gz WNANZXDXAZDPDP-LLVKDONJSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000309293790 410918673 /nfs/dbraw/zinc/91/86/73/410918673.db2.gz WNANZXDXAZDPDP-LLVKDONJSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)O ZINC000309293790 410918677 /nfs/dbraw/zinc/91/86/77/410918677.db2.gz WNANZXDXAZDPDP-LLVKDONJSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)O ZINC000309293790 410918682 /nfs/dbraw/zinc/91/86/82/410918682.db2.gz WNANZXDXAZDPDP-LLVKDONJSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[C@@H](C(=O)NCC[NH+]1CCC1)[NH+](C)C ZINC000337604517 167342375 /nfs/dbraw/zinc/34/23/75/167342375.db2.gz UMCLMMDBZDMKED-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000036787399 167368871 /nfs/dbraw/zinc/36/88/71/167368871.db2.gz YAGPAXUHRDBWEO-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120316 167391656 /nfs/dbraw/zinc/39/16/56/167391656.db2.gz DLSKYBWBKXYZQF-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120316 167391660 /nfs/dbraw/zinc/39/16/60/167391660.db2.gz DLSKYBWBKXYZQF-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000398989300 411005168 /nfs/dbraw/zinc/00/51/68/411005168.db2.gz JHAQOOQHIFGQFE-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[C@@H](C)[NH3+] ZINC000399658217 411054382 /nfs/dbraw/zinc/05/43/82/411054382.db2.gz OUCZUWMAPFYJRY-UTUOFQBUSA-N 2 1 241.379 0.674 20 0 BCADMP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400910199 411163317 /nfs/dbraw/zinc/16/33/17/411163317.db2.gz BEILLCFCZPTBOV-SDDRHHMPSA-N 2 1 249.362 0.633 20 0 BCADMP Cc1nnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000400910199 411163319 /nfs/dbraw/zinc/16/33/19/411163319.db2.gz BEILLCFCZPTBOV-SDDRHHMPSA-N 2 1 249.362 0.633 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538957 411137518 /nfs/dbraw/zinc/13/75/18/411137518.db2.gz BAZFUDSHGWZUKR-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763172 411139926 /nfs/dbraw/zinc/13/99/26/411139926.db2.gz VHAOQSDLHQFTEW-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000651939014 411153911 /nfs/dbraw/zinc/15/39/11/411153911.db2.gz PYFFDJVBLFUJSZ-WISYIIOYSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@@H+](CC[C@@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000400590681 411158750 /nfs/dbraw/zinc/15/87/50/411158750.db2.gz ADTRNNCKQDAEKE-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780122 411168925 /nfs/dbraw/zinc/16/89/25/411168925.db2.gz WLWYKYIGFYMZAW-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000653780122 411168927 /nfs/dbraw/zinc/16/89/27/411168927.db2.gz WLWYKYIGFYMZAW-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000653780122 411168928 /nfs/dbraw/zinc/16/89/28/411168928.db2.gz WLWYKYIGFYMZAW-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000653780122 411168930 /nfs/dbraw/zinc/16/89/30/411168930.db2.gz WLWYKYIGFYMZAW-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CN1CC[N@H+](CCCC2CC[NH2+]CC2)CC1=O ZINC000401058576 411174131 /nfs/dbraw/zinc/17/41/31/411174131.db2.gz NTWMEBJHRLIHOH-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CN1CC[N@@H+](CCCC2CC[NH2+]CC2)CC1=O ZINC000401058576 411174134 /nfs/dbraw/zinc/17/41/34/411174134.db2.gz NTWMEBJHRLIHOH-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)CC(N)=O ZINC000401048798 411174227 /nfs/dbraw/zinc/17/42/27/411174227.db2.gz JXVPTDFAJBMENY-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP OCC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401039843 411174925 /nfs/dbraw/zinc/17/49/25/411174925.db2.gz DFFWAIISYVORRM-LPEHRKFASA-N 2 1 234.290 0.592 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132956531 411177409 /nfs/dbraw/zinc/17/74/09/411177409.db2.gz MMOYFRJKGAWXFH-DCAQKATOSA-N 2 1 227.352 0.569 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111826536 411181496 /nfs/dbraw/zinc/18/14/96/411181496.db2.gz MQFPBBJKTIQJPY-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP COCC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800431 411183848 /nfs/dbraw/zinc/18/38/48/411183848.db2.gz LLSKHBHBLGUGHD-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757585 411188899 /nfs/dbraw/zinc/18/88/99/411188899.db2.gz JGVJRUIIHRIBGE-WCQYABFASA-N 2 1 242.363 0.864 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215603493 411189941 /nfs/dbraw/zinc/18/99/41/411189941.db2.gz GCNZZRDMHXBIRS-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656192682 411198143 /nfs/dbraw/zinc/19/81/43/411198143.db2.gz SUICMGKFTOFMRM-YFKTTZPYSA-N 3 1 211.353 0.973 20 0 BCADMP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000656193952 411199504 /nfs/dbraw/zinc/19/95/04/411199504.db2.gz ZWBLEXPAQYLSOY-ZJUUUORDSA-N 2 1 235.335 0.014 20 0 BCADMP C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000652338640 411203872 /nfs/dbraw/zinc/20/38/72/411203872.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 2 1 243.395 0.230 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCOC(C)(C)C1 ZINC000652338358 411204707 /nfs/dbraw/zinc/20/47/07/411204707.db2.gz XARHELWDFFILMV-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000652343684 411208240 /nfs/dbraw/zinc/20/82/40/411208240.db2.gz FBJUIOAABMQSRK-LBPRGKRZSA-N 2 1 240.347 0.477 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000652343684 411208242 /nfs/dbraw/zinc/20/82/42/411208242.db2.gz FBJUIOAABMQSRK-LBPRGKRZSA-N 2 1 240.347 0.477 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347019 411208855 /nfs/dbraw/zinc/20/88/55/411208855.db2.gz OFXUJESIWMJSBK-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000652353139 411211770 /nfs/dbraw/zinc/21/17/70/411211770.db2.gz GCSJPDVAVGQHGF-STQMWFEESA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658052302 411220300 /nfs/dbraw/zinc/22/03/00/411220300.db2.gz BSEKUDATUMPVTI-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH+](C)CCCn1cc(C[NH+]2CCCC2)nn1 ZINC000656436874 411248614 /nfs/dbraw/zinc/24/86/14/411248614.db2.gz BSQKOPSHQFLUGB-UHFFFAOYSA-N 2 1 237.351 0.826 20 0 BCADMP CC(C)C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310217768 411224667 /nfs/dbraw/zinc/22/46/67/411224667.db2.gz FKTUCLGDWAUPAH-AAEUAGOBSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310217768 411224671 /nfs/dbraw/zinc/22/46/71/411224671.db2.gz FKTUCLGDWAUPAH-AAEUAGOBSA-N 2 1 244.379 0.438 20 0 BCADMP OCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655684614 411226187 /nfs/dbraw/zinc/22/61/87/411226187.db2.gz SEIPILHEZDGCKB-ZDUSSCGKSA-N 2 1 242.363 0.602 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655785699 411227791 /nfs/dbraw/zinc/22/77/91/411227791.db2.gz NDUVEUHFGMHDGG-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612355 411235902 /nfs/dbraw/zinc/23/59/02/411235902.db2.gz WDLJTHMKBDDHCT-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396729300 411240290 /nfs/dbraw/zinc/24/02/90/411240290.db2.gz CUQVALHMGVSAOU-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396729301 411240868 /nfs/dbraw/zinc/24/08/68/411240868.db2.gz CUQVALHMGVSAOU-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP OC/C=C/C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658140229 411265020 /nfs/dbraw/zinc/26/50/20/411265020.db2.gz UOPMTGADBRJYDW-OWOJBTEDSA-N 2 1 210.321 0.751 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402599003 411270342 /nfs/dbraw/zinc/27/03/42/411270342.db2.gz PXEXRGSVTMMLCT-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401668962 411276710 /nfs/dbraw/zinc/27/67/10/411276710.db2.gz JTMZOZVFVCWMQG-RWMBFGLXSA-N 3 1 248.374 0.940 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000659642164 411277691 /nfs/dbraw/zinc/27/76/91/411277691.db2.gz VVYUUFIPVBUMGW-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000659642183 411277743 /nfs/dbraw/zinc/27/77/43/411277743.db2.gz JTASSOOJHGNRTL-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP c1c(C[NH+]2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466922 411279642 /nfs/dbraw/zinc/27/96/42/411279642.db2.gz KTHDCPFNTIZADI-LBPRGKRZSA-N 2 1 235.335 0.798 20 0 BCADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129387842 411281598 /nfs/dbraw/zinc/28/15/98/411281598.db2.gz OPXHNOPBKYTYEH-OLZOCXBDSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129387842 411281601 /nfs/dbraw/zinc/28/16/01/411281601.db2.gz OPXHNOPBKYTYEH-OLZOCXBDSA-N 2 1 247.342 0.897 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+]C1 ZINC000051889849 411285540 /nfs/dbraw/zinc/28/55/40/411285540.db2.gz OFAUXMSTCSCUOK-SNVBAGLBSA-N 2 1 213.325 0.039 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CC[NH2+]C1 ZINC000051889849 411285543 /nfs/dbraw/zinc/28/55/43/411285543.db2.gz OFAUXMSTCSCUOK-SNVBAGLBSA-N 2 1 213.325 0.039 20 0 BCADMP CCCC[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+]C1 ZINC000051889844 411285579 /nfs/dbraw/zinc/28/55/79/411285579.db2.gz CXOHRJCAVLQFJV-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CC[NH2+]C1 ZINC000051889844 411285580 /nfs/dbraw/zinc/28/55/80/411285580.db2.gz CXOHRJCAVLQFJV-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP NC(=[NH2+])NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000656508470 411288373 /nfs/dbraw/zinc/28/83/73/411288373.db2.gz GVKLVWOQHXIRGV-GFCCVEGCSA-N 2 1 248.330 0.236 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401780809 411329784 /nfs/dbraw/zinc/32/97/84/411329784.db2.gz WDTRYEQURGJHPZ-SDDRHHMPSA-N 2 1 222.336 0.859 20 0 BCADMP [NH3+]Cc1noc(C[C@H]2[NH2+]Cc3ccccc32)n1 ZINC000656562126 411302056 /nfs/dbraw/zinc/30/20/56/411302056.db2.gz HAYHHQICKLVGNP-SNVBAGLBSA-N 2 1 230.271 0.915 20 0 BCADMP CC[C@H]([NH2+]C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000656560704 411304337 /nfs/dbraw/zinc/30/43/37/411304337.db2.gz GDUBNQNWMQIEBO-YUMQZZPRSA-N 2 1 212.297 0.891 20 0 BCADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000217961132 411309744 /nfs/dbraw/zinc/30/97/44/411309744.db2.gz XLKQWLUZHURGPY-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000217961132 411309746 /nfs/dbraw/zinc/30/97/46/411309746.db2.gz XLKQWLUZHURGPY-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP COC[C@@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000659837340 411316217 /nfs/dbraw/zinc/31/62/17/411316217.db2.gz FSTUOFIKUVVYJL-GFCCVEGCSA-N 2 1 230.352 0.674 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000653444548 411256581 /nfs/dbraw/zinc/25/65/81/411256581.db2.gz QQMFKGSWCWEEOR-IRCOFANPSA-N 2 1 239.363 0.665 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787584 411366128 /nfs/dbraw/zinc/36/61/28/411366128.db2.gz NXTLPRKJSIMVDP-CHWSQXEVSA-N 2 1 249.362 0.600 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786839 411366177 /nfs/dbraw/zinc/36/61/77/411366177.db2.gz AZINWEUWBLLRMF-STQMWFEESA-N 2 1 249.362 0.600 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000656788226 411367081 /nfs/dbraw/zinc/36/70/81/411367081.db2.gz WWNDESOMUPWAEZ-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662156146 411368929 /nfs/dbraw/zinc/36/89/29/411368929.db2.gz KPOFJGJENQZGEU-AAEUAGOBSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662156146 411368935 /nfs/dbraw/zinc/36/89/35/411368935.db2.gz KPOFJGJENQZGEU-AAEUAGOBSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662156155 411369298 /nfs/dbraw/zinc/36/92/98/411369298.db2.gz KPOFJGJENQZGEU-WCQYABFASA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662156155 411369304 /nfs/dbraw/zinc/36/93/04/411369304.db2.gz KPOFJGJENQZGEU-WCQYABFASA-N 2 1 242.363 0.552 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000656790579 411370532 /nfs/dbraw/zinc/37/05/32/411370532.db2.gz BIJHLFSMKWBUPY-LBPRGKRZSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790885 411370872 /nfs/dbraw/zinc/37/08/72/411370872.db2.gz BXMDPJRNCJGPQA-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@]1(C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790890 411371220 /nfs/dbraw/zinc/37/12/20/411371220.db2.gz BXMDPJRNCJGPQA-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710567 411335942 /nfs/dbraw/zinc/33/59/42/411335942.db2.gz KAFOOKPBFRNRKS-UWVGGRQHSA-N 2 1 236.306 0.934 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccoc1)C1CC1 ZINC000656714637 411338667 /nfs/dbraw/zinc/33/86/67/411338667.db2.gz QHYHUNGLDHGDJZ-ZDUSSCGKSA-N 2 1 238.331 0.867 20 0 BCADMP CN(CC[NH+]1CCCCC1)C(=O)C[NH+](C)C ZINC000652988671 411389271 /nfs/dbraw/zinc/38/92/71/411389271.db2.gz DOROOTXCMBPQNK-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000404203795 411382840 /nfs/dbraw/zinc/38/28/40/411382840.db2.gz RLHZSMREOILQLO-GFCCVEGCSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)CC[N@H+]1C ZINC000404219856 411383976 /nfs/dbraw/zinc/38/39/76/411383976.db2.gz KDWAZMDGBJNPQR-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)CC[N@H+]1C ZINC000404219860 411384591 /nfs/dbraw/zinc/38/45/91/411384591.db2.gz KDWAZMDGBJNPQR-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633515 411458030 /nfs/dbraw/zinc/45/80/30/411458030.db2.gz OHXPIMZMQFCEQE-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CC(C)O[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000404653955 411403314 /nfs/dbraw/zinc/40/33/14/411403314.db2.gz SFPXHDXYLYYFPD-LBPRGKRZSA-N 2 1 230.352 0.851 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)CC(F)(F)C[NH3+] ZINC000653054306 411405912 /nfs/dbraw/zinc/40/59/12/411405912.db2.gz MNDGVWQNPHRYJV-UHFFFAOYSA-N 2 1 237.294 0.604 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659455169 411412759 /nfs/dbraw/zinc/41/27/59/411412759.db2.gz UQEZEZADEHTOES-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1CCOC1 ZINC000653498202 411413823 /nfs/dbraw/zinc/41/38/23/411413823.db2.gz LJFCYJOQTCOIQX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@H]1CCOC1 ZINC000653498202 411413826 /nfs/dbraw/zinc/41/38/26/411413826.db2.gz LJFCYJOQTCOIQX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000653498202 411413827 /nfs/dbraw/zinc/41/38/27/411413827.db2.gz LJFCYJOQTCOIQX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@@H]1CCOC1 ZINC000653498202 411413831 /nfs/dbraw/zinc/41/38/31/411413831.db2.gz LJFCYJOQTCOIQX-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653563979 411421620 /nfs/dbraw/zinc/42/16/20/411421620.db2.gz KKDVHXFNZQYSFE-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653563979 411421621 /nfs/dbraw/zinc/42/16/21/411421621.db2.gz KKDVHXFNZQYSFE-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653563979 411421622 /nfs/dbraw/zinc/42/16/22/411421622.db2.gz KKDVHXFNZQYSFE-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653563979 411421623 /nfs/dbraw/zinc/42/16/23/411421623.db2.gz KKDVHXFNZQYSFE-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568042 411423473 /nfs/dbraw/zinc/42/34/73/411423473.db2.gz JDTBFNZPGNFQED-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568042 411423475 /nfs/dbraw/zinc/42/34/75/411423475.db2.gz JDTBFNZPGNFQED-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568042 411423476 /nfs/dbraw/zinc/42/34/76/411423476.db2.gz JDTBFNZPGNFQED-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568042 411423478 /nfs/dbraw/zinc/42/34/78/411423478.db2.gz JDTBFNZPGNFQED-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000653587177 411426743 /nfs/dbraw/zinc/42/67/43/411426743.db2.gz TWMPMCWZFSKVRN-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000653587177 411426745 /nfs/dbraw/zinc/42/67/45/411426745.db2.gz TWMPMCWZFSKVRN-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000653587177 411426746 /nfs/dbraw/zinc/42/67/46/411426746.db2.gz TWMPMCWZFSKVRN-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000653587177 411426748 /nfs/dbraw/zinc/42/67/48/411426748.db2.gz TWMPMCWZFSKVRN-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541090 411431876 /nfs/dbraw/zinc/43/18/76/411431876.db2.gz ZOJLCXDMIQTUSB-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP CCO[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000405659715 411437407 /nfs/dbraw/zinc/43/74/07/411437407.db2.gz IASZJYUTLRBLNO-CHWSQXEVSA-N 2 1 235.331 0.877 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000405659715 411437409 /nfs/dbraw/zinc/43/74/09/411437409.db2.gz IASZJYUTLRBLNO-CHWSQXEVSA-N 2 1 235.331 0.877 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619050 411440810 /nfs/dbraw/zinc/44/08/10/411440810.db2.gz QSMPNUYFXPRVEX-JQWIXIFHSA-N 2 1 225.336 0.339 20 0 BCADMP CCO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000405741123 411441071 /nfs/dbraw/zinc/44/10/71/411441071.db2.gz ZHCORCQQEAMQHL-DGCLKSJQSA-N 2 1 235.331 0.877 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000405741123 411441074 /nfs/dbraw/zinc/44/10/74/411441074.db2.gz ZHCORCQQEAMQHL-DGCLKSJQSA-N 2 1 235.331 0.877 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000659635974 411445178 /nfs/dbraw/zinc/44/51/78/411445178.db2.gz SFHNPATVRVIAAI-NSHDSACASA-N 2 1 240.351 0.155 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000659643316 411446717 /nfs/dbraw/zinc/44/67/17/411446717.db2.gz QNXPXXJGDFLLPI-MXWKQRLJSA-N 2 1 242.367 0.328 20 0 BCADMP CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000340115267 411454065 /nfs/dbraw/zinc/45/40/65/411454065.db2.gz CCWGYUMCFCTCFE-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[NH+](C)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654971588 411469020 /nfs/dbraw/zinc/46/90/20/411469020.db2.gz FAFUSJXYTLKFRA-UHFFFAOYSA-N 2 1 225.336 0.101 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000655051637 411485574 /nfs/dbraw/zinc/48/55/74/411485574.db2.gz FXYQJVYQKWARPU-SNVBAGLBSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000655051637 411485578 /nfs/dbraw/zinc/48/55/78/411485578.db2.gz FXYQJVYQKWARPU-SNVBAGLBSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H](NCc1cnc2n1CCC2)C(=O)N(C)C ZINC000657388878 411491536 /nfs/dbraw/zinc/49/15/36/411491536.db2.gz PRXYATNXQDXJGY-SECBINFHSA-N 2 1 236.319 0.396 20 0 BCADMP O[C@H](CNCc1cnc2n1CCC2)C(F)(F)F ZINC000657448563 411509857 /nfs/dbraw/zinc/50/98/57/411509857.db2.gz SDCRUJTZUGPECF-MRVPVSSYSA-N 2 1 249.236 0.842 20 0 BCADMP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655795551 411516390 /nfs/dbraw/zinc/51/63/90/411516390.db2.gz CQDAFBZZVLARKP-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP c1c[nH]c([C@H]2CCC[N@H+](CCc3cn[nH]n3)C2)n1 ZINC000660078248 411534954 /nfs/dbraw/zinc/53/49/54/411534954.db2.gz SLOMUVPIDFLLEG-JTQLQIEISA-N 2 1 246.318 0.950 20 0 BCADMP c1c[nH]c([C@H]2CCC[N@@H+](CCc3c[nH]nn3)C2)n1 ZINC000660078248 411534955 /nfs/dbraw/zinc/53/49/55/411534955.db2.gz SLOMUVPIDFLLEG-JTQLQIEISA-N 2 1 246.318 0.950 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000037643428 170006639 /nfs/dbraw/zinc/00/66/39/170006639.db2.gz MVDWWAOZGDUZLK-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000037643427 170015391 /nfs/dbraw/zinc/01/53/91/170015391.db2.gz MVDWWAOZGDUZLK-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCO)C[C@@H]1C ZINC000336670380 170018361 /nfs/dbraw/zinc/01/83/61/170018361.db2.gz GJAIFTYDOFSICW-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCO)C[C@@H]1C ZINC000336670380 170018363 /nfs/dbraw/zinc/01/83/63/170018363.db2.gz GJAIFTYDOFSICW-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO)C[C@@H]1C ZINC000336670380 170018364 /nfs/dbraw/zinc/01/83/64/170018364.db2.gz GJAIFTYDOFSICW-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019072 /nfs/dbraw/zinc/01/90/72/170019072.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019074 /nfs/dbraw/zinc/01/90/74/170019074.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019075 /nfs/dbraw/zinc/01/90/75/170019075.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 3 1 243.395 0.766 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019076 /nfs/dbraw/zinc/01/90/76/170019076.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019079 /nfs/dbraw/zinc/01/90/79/170019079.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+]1CC[C@H](N(C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019080 /nfs/dbraw/zinc/01/90/80/170019080.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019081 /nfs/dbraw/zinc/01/90/81/170019081.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H](C)C1 ZINC000309969971 170022965 /nfs/dbraw/zinc/02/29/65/170022965.db2.gz OYHNLUMXCLMYAK-AXFHLTTASA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H](C)C1 ZINC000309969971 170022966 /nfs/dbraw/zinc/02/29/66/170022966.db2.gz OYHNLUMXCLMYAK-AXFHLTTASA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)C)C1 ZINC000336768131 170030605 /nfs/dbraw/zinc/03/06/05/170030605.db2.gz TTXPKPMZUVGPAO-NEPJUHHUSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+]1C[C@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000336768133 170035139 /nfs/dbraw/zinc/03/51/39/170035139.db2.gz TTXPKPMZUVGPAO-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1C[C@H](N[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000336755755 170037438 /nfs/dbraw/zinc/03/74/38/170037438.db2.gz IGSZBRODQJTBLU-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000336755755 170037439 /nfs/dbraw/zinc/03/74/39/170037439.db2.gz IGSZBRODQJTBLU-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+](C)C)C1 ZINC000336755749 170040176 /nfs/dbraw/zinc/04/01/76/170040176.db2.gz IGSZBRODQJTBLU-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+](C)C)C1 ZINC000336755749 170040178 /nfs/dbraw/zinc/04/01/78/170040178.db2.gz IGSZBRODQJTBLU-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP CCOC(=O)CC[N@@H+](C)CCn1ccnc1 ZINC000050067285 170203988 /nfs/dbraw/zinc/20/39/88/170203988.db2.gz ZJXVZIYKYMHFCP-UHFFFAOYSA-N 2 1 225.292 0.768 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946170 411563555 /nfs/dbraw/zinc/56/35/55/411563555.db2.gz XTDSIEYKPXKMNE-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000660277044 411563667 /nfs/dbraw/zinc/56/36/67/411563667.db2.gz BIHZGZQZELRISQ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000660277044 411563668 /nfs/dbraw/zinc/56/36/68/411563668.db2.gz BIHZGZQZELRISQ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000660277044 411563670 /nfs/dbraw/zinc/56/36/70/411563670.db2.gz BIHZGZQZELRISQ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000660277044 411563672 /nfs/dbraw/zinc/56/36/72/411563672.db2.gz BIHZGZQZELRISQ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CCOC1CC(O)(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000341367649 170330464 /nfs/dbraw/zinc/33/04/64/170330464.db2.gz KLGNBYBSQHYWFH-UHFFFAOYSA-N 2 1 242.363 0.600 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000332485997 170331667 /nfs/dbraw/zinc/33/16/67/170331667.db2.gz WPNFTZSPWDWLIB-IGJPJIBNSA-N 2 1 242.363 0.504 20 0 BCADMP CCOCC(C)(C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000339372652 170354606 /nfs/dbraw/zinc/35/46/06/170354606.db2.gz PTDPBSNJQJIPMU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCC(C)(C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000339372652 170354608 /nfs/dbraw/zinc/35/46/08/170354608.db2.gz PTDPBSNJQJIPMU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000339372652 170354610 /nfs/dbraw/zinc/35/46/10/170354610.db2.gz PTDPBSNJQJIPMU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339372652 170354612 /nfs/dbraw/zinc/35/46/12/170354612.db2.gz PTDPBSNJQJIPMU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc(C)[nH+]1 ZINC000624680389 411647285 /nfs/dbraw/zinc/64/72/85/411647285.db2.gz XJCIDBBDFPCXQO-LLVKDONJSA-N 2 1 236.319 0.572 20 0 BCADMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc(C)[nH+]1 ZINC000624680389 411647288 /nfs/dbraw/zinc/64/72/88/411647288.db2.gz XJCIDBBDFPCXQO-LLVKDONJSA-N 2 1 236.319 0.572 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657704258 411584039 /nfs/dbraw/zinc/58/40/39/411584039.db2.gz RJVLNNVHNJUTQK-VXGBXAGGSA-N 2 1 224.348 0.974 20 0 BCADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660532230 411596417 /nfs/dbraw/zinc/59/64/17/411596417.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660532230 411596419 /nfs/dbraw/zinc/59/64/19/411596419.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660532230 411596420 /nfs/dbraw/zinc/59/64/20/411596420.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660532230 411596422 /nfs/dbraw/zinc/59/64/22/411596422.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 2 1 244.379 0.797 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657836821 411609457 /nfs/dbraw/zinc/60/94/57/411609457.db2.gz BXXSPZSCPJPNRN-JHJVBQTASA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657836821 411609459 /nfs/dbraw/zinc/60/94/59/411609459.db2.gz BXXSPZSCPJPNRN-JHJVBQTASA-N 2 1 249.362 0.883 20 0 BCADMP CCOC1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000657874879 411614974 /nfs/dbraw/zinc/61/49/74/411614974.db2.gz BXZRDIKEUZOZJL-CPCZMJQVSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000660670422 411616585 /nfs/dbraw/zinc/61/65/85/411616585.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000660670422 411616586 /nfs/dbraw/zinc/61/65/86/411616586.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)CO ZINC000660670422 411616587 /nfs/dbraw/zinc/61/65/87/411616587.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000660670422 411616588 /nfs/dbraw/zinc/61/65/88/411616588.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 2 1 246.395 0.638 20 0 BCADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000354985265 170480155 /nfs/dbraw/zinc/48/01/55/170480155.db2.gz SAEMJKADUYFSEO-QWHCGFSZSA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@@H](C)[N@@H+](CC)CC(=O)N1CCN(C)CC1 ZINC000661105853 411711391 /nfs/dbraw/zinc/71/13/91/411711391.db2.gz JXTJSWWJCVQXKD-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492681 411671544 /nfs/dbraw/zinc/67/15/44/411671544.db2.gz AZNMAYDATAOPPR-RWMBFGLXSA-N 3 1 223.364 0.657 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663497248 411679466 /nfs/dbraw/zinc/67/94/66/411679466.db2.gz MFZUQNIPLJHWLW-WYUUTHIRSA-N 3 1 209.337 0.455 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500050 411684460 /nfs/dbraw/zinc/68/44/60/411684460.db2.gz IMZFEFWNHBWVJM-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP Cc1nc(N[C@@H](C)[C@@H](C)[NH3+])c(C)c(C)[nH+]1 ZINC000420261072 411759374 /nfs/dbraw/zinc/75/93/74/411759374.db2.gz KFGVHEGCDKWJGM-APPZFPTMSA-N 2 1 208.309 1.549 20 0 BCADMP Cc1nccc(N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000361017929 411786423 /nfs/dbraw/zinc/78/64/23/411786423.db2.gz PYEJMXLZIBDHOW-NSHDSACASA-N 2 1 249.362 0.833 20 0 BCADMP C[N@H+](CCC[NH3+])Cc1cnc(N)s1 ZINC000379658954 411867252 /nfs/dbraw/zinc/86/72/52/411867252.db2.gz ODLZTXXGAWLARC-UHFFFAOYSA-N 2 1 200.311 0.506 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1cnc(N)s1 ZINC000379658954 411867257 /nfs/dbraw/zinc/86/72/57/411867257.db2.gz ODLZTXXGAWLARC-UHFFFAOYSA-N 2 1 200.311 0.506 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)C[C@@]1(C)C[NH3+] ZINC000415055941 411909860 /nfs/dbraw/zinc/90/98/60/411909860.db2.gz NMCUBJOUCCHLJC-LDYMZIIASA-N 2 1 240.376 1.142 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccn1 ZINC000647830313 411977218 /nfs/dbraw/zinc/97/72/18/411977218.db2.gz GRXDCJQKTIMXOU-SNVBAGLBSA-N 2 1 206.293 0.444 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152190 412008779 /nfs/dbraw/zinc/00/87/79/412008779.db2.gz QQPPZHGNQQITJY-AAEUAGOBSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152190 412008782 /nfs/dbraw/zinc/00/87/82/412008782.db2.gz QQPPZHGNQQITJY-AAEUAGOBSA-N 2 1 242.363 0.552 20 0 BCADMP Nc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000647547444 411958182 /nfs/dbraw/zinc/95/81/82/411958182.db2.gz WYAOHONBGHJESY-SNVBAGLBSA-N 2 1 206.293 0.491 20 0 BCADMP Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000647546735 411958811 /nfs/dbraw/zinc/95/88/11/411958811.db2.gz ZCGKLMIZVFIGNJ-FOSCPWQOSA-N 2 1 232.331 1.036 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662267003 412058886 /nfs/dbraw/zinc/05/88/86/412058886.db2.gz RLSJTAQGBHCHRA-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)OC ZINC000662234211 412032271 /nfs/dbraw/zinc/03/22/71/412032271.db2.gz JTXRMPQJSWQKIF-ZDUSSCGKSA-N 2 1 242.363 0.864 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000662242985 412037647 /nfs/dbraw/zinc/03/76/47/412037647.db2.gz GIZWZIQLLSRUSK-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000662242985 412037651 /nfs/dbraw/zinc/03/76/51/412037651.db2.gz GIZWZIQLLSRUSK-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+])OC ZINC000662244068 412038664 /nfs/dbraw/zinc/03/86/64/412038664.db2.gz GEQNHQCXQFRMKQ-SRVKXCTJSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+])OC ZINC000662244068 412038666 /nfs/dbraw/zinc/03/86/66/412038666.db2.gz GEQNHQCXQFRMKQ-SRVKXCTJSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662243734 412040062 /nfs/dbraw/zinc/04/00/62/412040062.db2.gz JULGXPPJJXFMPO-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662243734 412040066 /nfs/dbraw/zinc/04/00/66/412040066.db2.gz JULGXPPJJXFMPO-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662245003 412040767 /nfs/dbraw/zinc/04/07/67/412040767.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662245003 412040770 /nfs/dbraw/zinc/04/07/70/412040770.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662245002 412041001 /nfs/dbraw/zinc/04/10/01/412041001.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662245002 412041004 /nfs/dbraw/zinc/04/10/04/412041004.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662245001 412041408 /nfs/dbraw/zinc/04/14/08/412041408.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662245001 412041412 /nfs/dbraw/zinc/04/14/12/412041412.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 3 1 227.352 0.034 20 0 BCADMP CCc1nc([C@@H](C)N2CC[C@@H](C[NH3+])C2)n[nH]1 ZINC000662245134 412042067 /nfs/dbraw/zinc/04/20/67/412042067.db2.gz RQDUMKQZQDCGRA-BDAKNGLRSA-N 2 1 223.324 0.709 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245146 412042092 /nfs/dbraw/zinc/04/20/92/412042092.db2.gz HWUNWEDFILZYCG-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245146 412042093 /nfs/dbraw/zinc/04/20/93/412042093.db2.gz HWUNWEDFILZYCG-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662246818 412042878 /nfs/dbraw/zinc/04/28/78/412042878.db2.gz SGNLQJUUPGTLEL-BDAKNGLRSA-N 2 1 220.263 0.691 20 0 BCADMP CC(C)[C@](C)(CN)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247871 412044124 /nfs/dbraw/zinc/04/41/24/412044124.db2.gz NNGIJSGLGCVFLL-NEPJUHHUSA-N 2 1 241.379 0.470 20 0 BCADMP C[N@H+](CCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000662247446 412045232 /nfs/dbraw/zinc/04/52/32/412045232.db2.gz YLSWGBNMPKZWRD-UHFFFAOYSA-N 2 1 240.355 0.251 20 0 BCADMP C[N@@H+](CCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000662247446 412045233 /nfs/dbraw/zinc/04/52/33/412045233.db2.gz YLSWGBNMPKZWRD-UHFFFAOYSA-N 2 1 240.355 0.251 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662248326 412047527 /nfs/dbraw/zinc/04/75/27/412047527.db2.gz ZHSOAXQWBHIIPT-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662248326 412047528 /nfs/dbraw/zinc/04/75/28/412047528.db2.gz ZHSOAXQWBHIIPT-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252893 412048435 /nfs/dbraw/zinc/04/84/35/412048435.db2.gz RBCOLDAPXSKGOJ-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255080 412049299 /nfs/dbraw/zinc/04/92/99/412049299.db2.gz OFXHTDIAXWOQQN-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255087 412049802 /nfs/dbraw/zinc/04/98/02/412049802.db2.gz OGBBCQBRIRIMII-MNOVXSKESA-N 2 1 210.321 0.992 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255256 412051045 /nfs/dbraw/zinc/05/10/45/412051045.db2.gz BOCLAASHNSJMQA-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000662265255 412055478 /nfs/dbraw/zinc/05/54/78/412055478.db2.gz OQVOIFKKPZBCPI-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000662265253 412056310 /nfs/dbraw/zinc/05/63/10/412056310.db2.gz OQVOIFKKPZBCPI-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)OC ZINC000662265552 412058181 /nfs/dbraw/zinc/05/81/81/412058181.db2.gz QXKRMOIVGLMIMP-VWYCJHECSA-N 2 1 216.325 0.317 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336752210 171043590 /nfs/dbraw/zinc/04/35/90/171043590.db2.gz FYTSEIXVYODOIM-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336752210 171043591 /nfs/dbraw/zinc/04/35/91/171043591.db2.gz FYTSEIXVYODOIM-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000133029038 171080662 /nfs/dbraw/zinc/08/06/62/171080662.db2.gz HRRZWHHQJCYMPZ-GFCCVEGCSA-N 2 1 243.420 0.719 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270757 412062462 /nfs/dbraw/zinc/06/24/62/412062462.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 2 1 227.352 0.034 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270757 412062464 /nfs/dbraw/zinc/06/24/64/412062464.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 2 1 227.352 0.034 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272321 412063147 /nfs/dbraw/zinc/06/31/47/412063147.db2.gz DXYGLPDYHBSQGG-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000370767543 171099375 /nfs/dbraw/zinc/09/93/75/171099375.db2.gz VBWBZBCTJAYUKF-IJLUTSLNSA-N 2 1 239.363 0.809 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662273346 412065464 /nfs/dbraw/zinc/06/54/64/412065464.db2.gz MKPDNWSELOBCJJ-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662273346 412065468 /nfs/dbraw/zinc/06/54/68/412065468.db2.gz MKPDNWSELOBCJJ-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618594 171146930 /nfs/dbraw/zinc/14/69/30/171146930.db2.gz VEKXBUNUZVIPAG-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+](CC[C@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276552 412068727 /nfs/dbraw/zinc/06/87/27/412068727.db2.gz KJMMHEYNGOIEGI-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000353430957 171148076 /nfs/dbraw/zinc/14/80/76/171148076.db2.gz XPDIXLZHJOJJGL-SRVKXCTJSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@]1(C(=O)N2CCC[N@@H+](C)CC2)CCC[NH2+]1 ZINC000128743048 171194117 /nfs/dbraw/zinc/19/41/17/171194117.db2.gz IYALYRZKTHYQJM-ZDUSSCGKSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285168 412077074 /nfs/dbraw/zinc/07/70/74/412077074.db2.gz YMWBPXUKUIJUJC-PWSUYJOCSA-N 2 1 240.347 0.353 20 0 BCADMP CN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000662282093 412073306 /nfs/dbraw/zinc/07/33/06/412073306.db2.gz DCBKUZUGWLOFTM-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)OC ZINC000662283076 412075606 /nfs/dbraw/zinc/07/56/06/412075606.db2.gz KJJLTYBDXCKJIM-CYDGBPFRSA-N 2 1 244.379 0.953 20 0 BCADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)N1CC[NH2+]CC1 ZINC000662298615 412085790 /nfs/dbraw/zinc/08/57/90/412085790.db2.gz PTGYCODRXOBKLS-STQMWFEESA-N 2 1 239.363 0.145 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754097 171305908 /nfs/dbraw/zinc/30/59/08/171305908.db2.gz GZUBLECFILPVRT-GARJFASQSA-N 2 1 245.342 0.533 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000226396246 171306926 /nfs/dbraw/zinc/30/69/26/171306926.db2.gz GMLZXMGMJFTHHM-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531368 171330886 /nfs/dbraw/zinc/33/08/86/171330886.db2.gz BGOUGRJEWZWRTF-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531368 171330888 /nfs/dbraw/zinc/33/08/88/171330888.db2.gz BGOUGRJEWZWRTF-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226537082 171334746 /nfs/dbraw/zinc/33/47/46/171334746.db2.gz SDWDGOOTDZMDTP-WHOHXGKFSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226537082 171334748 /nfs/dbraw/zinc/33/47/48/171334748.db2.gz SDWDGOOTDZMDTP-WHOHXGKFSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163184297 171334972 /nfs/dbraw/zinc/33/49/72/171334972.db2.gz SDWDGOOTDZMDTP-USZNOCQGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163184297 171334974 /nfs/dbraw/zinc/33/49/74/171334974.db2.gz SDWDGOOTDZMDTP-USZNOCQGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036190053 171394687 /nfs/dbraw/zinc/39/46/87/171394687.db2.gz SYVOFLNKVQHLQI-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662300785 412086357 /nfs/dbraw/zinc/08/63/57/412086357.db2.gz JOGMMXWECHYYKH-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CCO ZINC000662302928 412088883 /nfs/dbraw/zinc/08/88/83/412088883.db2.gz QMLUUTBUZRWVHJ-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CC[NH2+]CC1 ZINC000662304380 412089248 /nfs/dbraw/zinc/08/92/48/412089248.db2.gz PZDZERMMFLWVRH-UHFFFAOYSA-N 2 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CC1CC[NH2+]CC1 ZINC000662304380 412089251 /nfs/dbraw/zinc/08/92/51/412089251.db2.gz PZDZERMMFLWVRH-UHFFFAOYSA-N 2 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@H+]2CC1CC[NH2+]CC1 ZINC000662304380 412089255 /nfs/dbraw/zinc/08/92/55/412089255.db2.gz PZDZERMMFLWVRH-UHFFFAOYSA-N 2 1 209.337 0.409 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316195 412095964 /nfs/dbraw/zinc/09/59/64/412095964.db2.gz WMBREFXLGWWWOI-LBPRGKRZSA-N 2 1 228.336 0.464 20 0 BCADMP C[C@@H](O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322946 412100309 /nfs/dbraw/zinc/10/03/09/412100309.db2.gz JWOJEBBNQJSAPO-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321706 412101080 /nfs/dbraw/zinc/10/10/80/412101080.db2.gz CRJOGDMASSNAPS-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CC[C@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324590 412102422 /nfs/dbraw/zinc/10/24/22/412102422.db2.gz YXIWHADUBTWBEW-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454553 412181266 /nfs/dbraw/zinc/18/12/66/412181266.db2.gz NVSLEFPSHFBQIU-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCSCC1 ZINC000662457971 412181863 /nfs/dbraw/zinc/18/18/63/412181863.db2.gz OGGICLFMUDQHMH-JTQLQIEISA-N 2 1 245.392 0.149 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000665241961 412185463 /nfs/dbraw/zinc/18/54/63/412185463.db2.gz GBNGCPJKEUEIEF-UWVGGRQHSA-N 2 1 223.324 0.353 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000665243408 412186617 /nfs/dbraw/zinc/18/66/17/412186617.db2.gz DABCFPYVAVJJSH-JBLDHEPKSA-N 2 1 209.337 0.421 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662476187 412187475 /nfs/dbraw/zinc/18/74/75/412187475.db2.gz RILFEGRFEDBECX-MXWKQRLJSA-N 2 1 227.352 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662472192 412187665 /nfs/dbraw/zinc/18/76/65/412187665.db2.gz PNYAEUDQBFCNNH-WOPDTQHZSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662476186 412187789 /nfs/dbraw/zinc/18/77/89/412187789.db2.gz RILFEGRFEDBECX-DCAQKATOSA-N 2 1 227.352 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662472191 412188059 /nfs/dbraw/zinc/18/80/59/412188059.db2.gz PNYAEUDQBFCNNH-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662474331 412188401 /nfs/dbraw/zinc/18/84/01/412188401.db2.gz ZAILDWFIQHJNQY-VWYCJHECSA-N 2 1 227.352 0.535 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000665261949 412203346 /nfs/dbraw/zinc/20/33/46/412203346.db2.gz PCOICTOSPPOROU-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274092 412215951 /nfs/dbraw/zinc/21/59/51/412215951.db2.gz JLPWNPAWDHDUST-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662540391 412209864 /nfs/dbraw/zinc/20/98/64/412209864.db2.gz WBFCWKRCTLOPQU-GHMZBOCLSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000662398895 412147206 /nfs/dbraw/zinc/14/72/06/412147206.db2.gz KSEIFDVNAUBBKL-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP COC[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C)OC ZINC000665235318 412166509 /nfs/dbraw/zinc/16/65/09/412166509.db2.gz UEGXJWWYCAAKHZ-SRVKXCTJSA-N 2 1 230.352 0.626 20 0 BCADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234825 412174986 /nfs/dbraw/zinc/17/49/86/412174986.db2.gz KOASPBMROSAGHJ-FVCCEPFGSA-N 2 1 242.363 0.768 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662693088 412273588 /nfs/dbraw/zinc/27/35/88/412273588.db2.gz ONHCINOXUSGXGS-IJLUTSLNSA-N 2 1 239.363 0.570 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000662702632 412275481 /nfs/dbraw/zinc/27/54/81/412275481.db2.gz AQJFQWVIHLSBHU-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662704026 412276479 /nfs/dbraw/zinc/27/64/79/412276479.db2.gz RYARRDAZJMHPPR-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704214 412276985 /nfs/dbraw/zinc/27/69/85/412276985.db2.gz WRMDXHLUVHFRIH-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662709284 412278539 /nfs/dbraw/zinc/27/85/39/412278539.db2.gz ALMKUIVXDYHKEO-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662719955 412283542 /nfs/dbraw/zinc/28/35/42/412283542.db2.gz MWCHFRIWIQBTCT-NHCYSSNCSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)CC(F)(F)C[NH3+] ZINC000662731434 412286942 /nfs/dbraw/zinc/28/69/42/412286942.db2.gz GACLHZBBAPLOCW-MRVPVSSYSA-N 2 1 237.294 0.460 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277950 412220318 /nfs/dbraw/zinc/22/03/18/412220318.db2.gz QGXBRQKYLRCHPI-MLWDRFBSSA-N 2 1 235.375 0.811 20 0 BCADMP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277761 412220788 /nfs/dbraw/zinc/22/07/88/412220788.db2.gz KVEANKJZDYRMEA-IGJPJIBNSA-N 2 1 223.364 0.811 20 0 BCADMP COC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277686 412220910 /nfs/dbraw/zinc/22/09/10/412220910.db2.gz IIQSEXMCKNPYAA-CKBZRRDASA-N 2 1 210.321 0.753 20 0 BCADMP C[C@H](CCCC[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000665279638 412223619 /nfs/dbraw/zinc/22/36/19/412223619.db2.gz ICNDLMYRDBJAPY-VOMCLLRMSA-N 2 1 211.353 0.846 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)CC[NH2+]C1CC1 ZINC000662586061 412230006 /nfs/dbraw/zinc/23/00/06/412230006.db2.gz OMVIBRXRMXLYRZ-UHFFFAOYSA-N 2 1 222.292 0.510 20 0 BCADMP CC(C)[C@H](C(=O)N(C)Cc1cnc[nH]1)[C@H](C)[NH3+] ZINC000662586176 412231185 /nfs/dbraw/zinc/23/11/85/412231185.db2.gz PZFSGAHTQUMVBI-ONGXEEELSA-N 2 1 238.335 0.988 20 0 BCADMP C[C@@H](CCNC(=O)CC(F)(F)C[NH3+])[NH+](C)C ZINC000662632323 412234109 /nfs/dbraw/zinc/23/41/09/412234109.db2.gz BVRVZQKQCWVSIZ-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621848 412244548 /nfs/dbraw/zinc/24/45/48/412244548.db2.gz XMIUPZRYNLVASF-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619286 412244590 /nfs/dbraw/zinc/24/45/90/412244590.db2.gz JSFKSIVVIFKWBC-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622314 412244771 /nfs/dbraw/zinc/24/47/71/412244771.db2.gz QKPUPFQIKBHSKI-VHSXEESVSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619705 412244784 /nfs/dbraw/zinc/24/47/84/412244784.db2.gz NTZPUKMUPLZWRQ-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621817 412245086 /nfs/dbraw/zinc/24/50/86/412245086.db2.gz LVLJUBNWAHXFCN-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000665296668 412245210 /nfs/dbraw/zinc/24/52/10/412245210.db2.gz WCJGXVKCNCGIJQ-HBNTYKKESA-N 2 1 211.353 0.809 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)C[NH2+]C ZINC000665298218 412245795 /nfs/dbraw/zinc/24/57/95/412245795.db2.gz UEIMYSGQJRRHBP-UWVGGRQHSA-N 2 1 211.313 0.254 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806619 412307363 /nfs/dbraw/zinc/30/73/63/412307363.db2.gz SJMYKKQYBBYCML-BJDJZHNGSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H](CCNC(=O)[C@H]1CSC[NH2+]1)[NH+](C)C ZINC000662861240 412328659 /nfs/dbraw/zinc/32/86/59/412328659.db2.gz YPFRXTNFMXZBIN-RKDXNWHRSA-N 2 1 231.365 0.105 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889045 412343654 /nfs/dbraw/zinc/34/36/54/412343654.db2.gz LFCLZMVLVCROBQ-HBNTYKKESA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000662926111 412346753 /nfs/dbraw/zinc/34/67/53/412346753.db2.gz WDBPENBIMIBGFA-BDAKNGLRSA-N 2 1 231.365 0.139 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000665529666 412348547 /nfs/dbraw/zinc/34/85/47/412348547.db2.gz QQDNIHRSKBSJPE-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000665529666 412348551 /nfs/dbraw/zinc/34/85/51/412348551.db2.gz QQDNIHRSKBSJPE-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662945348 412351616 /nfs/dbraw/zinc/35/16/16/412351616.db2.gz OAIMVZUWBCGGDG-GWOFURMSSA-N 2 1 243.326 0.224 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966390 412358521 /nfs/dbraw/zinc/35/85/21/412358521.db2.gz RBBACCSFIYRPHI-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966391 412358939 /nfs/dbraw/zinc/35/89/39/412358939.db2.gz RBBACCSFIYRPHI-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000132921363 412358955 /nfs/dbraw/zinc/35/89/55/412358955.db2.gz RZJIMMLDNPRCAC-KKOKHZNYSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000662746807 412289820 /nfs/dbraw/zinc/28/98/20/412289820.db2.gz RSCMTRZIJKAIEY-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662784001 412301771 /nfs/dbraw/zinc/30/17/71/412301771.db2.gz OICNFWONSCQMQC-JTQLQIEISA-N 2 1 229.299 0.028 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982171 172366221 /nfs/dbraw/zinc/36/62/21/172366221.db2.gz YVQHNBHDASUHBK-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000132292778 172383760 /nfs/dbraw/zinc/38/37/60/172383760.db2.gz IKSSAOMYAHZBSI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000132292778 172383762 /nfs/dbraw/zinc/38/37/62/172383762.db2.gz IKSSAOMYAHZBSI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)CCCNC(=O)c1csc(C[NH3+])n1 ZINC000085544655 172439473 /nfs/dbraw/zinc/43/94/73/172439473.db2.gz TVLHLUNSSITJHK-UHFFFAOYSA-N 2 1 242.348 0.283 20 0 BCADMP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229962602 487625055 /nfs/dbraw/zinc/62/50/55/487625055.db2.gz OBQULLOPKWXDSV-FGNRJIRKSA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000121449439 173013254 /nfs/dbraw/zinc/01/32/54/173013254.db2.gz OXZRXWWUTLWKDK-ZDUSSCGKSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755445 173030138 /nfs/dbraw/zinc/03/01/38/173030138.db2.gz AQDFJSTWGBRMMW-MNOVXSKESA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[NH3+] ZINC000371262269 173033037 /nfs/dbraw/zinc/03/30/37/173033037.db2.gz JVWREWLLIIGHIJ-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[NH3+] ZINC000371261927 173033426 /nfs/dbraw/zinc/03/34/26/173033426.db2.gz FRVFTOQIYKTIDF-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000339438324 173040089 /nfs/dbraw/zinc/04/00/89/173040089.db2.gz COHGUOWZXJXQOU-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000339438324 173040092 /nfs/dbraw/zinc/04/00/92/173040092.db2.gz COHGUOWZXJXQOU-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000339438324 173040094 /nfs/dbraw/zinc/04/00/94/173040094.db2.gz COHGUOWZXJXQOU-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000339438324 173040096 /nfs/dbraw/zinc/04/00/96/173040096.db2.gz COHGUOWZXJXQOU-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1COCCO1 ZINC000336676054 173041580 /nfs/dbraw/zinc/04/15/80/173041580.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1COCCO1 ZINC000336676054 173041582 /nfs/dbraw/zinc/04/15/82/173041582.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@H]1COCCO1 ZINC000336676054 173041584 /nfs/dbraw/zinc/04/15/84/173041584.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@H]1COCCO1 ZINC000336676054 173041586 /nfs/dbraw/zinc/04/15/86/173041586.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040673628 173044029 /nfs/dbraw/zinc/04/40/29/173044029.db2.gz WIYWQBUDWVLFPJ-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC000353380702 173048118 /nfs/dbraw/zinc/04/81/18/173048118.db2.gz KRRZHNFFYBKCNS-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CCCO ZINC000305713810 173050314 /nfs/dbraw/zinc/05/03/14/173050314.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)CCCO ZINC000305713810 173050316 /nfs/dbraw/zinc/05/03/16/173050316.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)CCCO ZINC000305713810 173050319 /nfs/dbraw/zinc/05/03/19/173050319.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000357622454 173050778 /nfs/dbraw/zinc/05/07/78/173050778.db2.gz QFOINJIXVYVSQY-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000357622454 173050780 /nfs/dbraw/zinc/05/07/80/173050780.db2.gz QFOINJIXVYVSQY-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000357622454 173050781 /nfs/dbraw/zinc/05/07/81/173050781.db2.gz QFOINJIXVYVSQY-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000357622454 173050783 /nfs/dbraw/zinc/05/07/83/173050783.db2.gz QFOINJIXVYVSQY-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000305660809 173051003 /nfs/dbraw/zinc/05/10/03/173051003.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000305660809 173051006 /nfs/dbraw/zinc/05/10/06/173051006.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000305660809 173051007 /nfs/dbraw/zinc/05/10/07/173051007.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000224049473 173057148 /nfs/dbraw/zinc/05/71/48/173057148.db2.gz MFZWWGKTALPSFD-STQMWFEESA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000224049473 173057151 /nfs/dbraw/zinc/05/71/51/173057151.db2.gz MFZWWGKTALPSFD-STQMWFEESA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C[NH3+] ZINC000371261926 173058205 /nfs/dbraw/zinc/05/82/05/173058205.db2.gz FRVFTOQIYKTIDF-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000037995415 173114677 /nfs/dbraw/zinc/11/46/77/173114677.db2.gz NNDZMOAQMSSYDS-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000037647105 173114817 /nfs/dbraw/zinc/11/48/17/173114817.db2.gz ICLFUDYCUXWCEB-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037484885 173115293 /nfs/dbraw/zinc/11/52/93/173115293.db2.gz ZICKKKQUDXKDHB-WDEREUQCSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037484951 173115415 /nfs/dbraw/zinc/11/54/15/173115415.db2.gz IXIYURBNIVTHQW-NSHDSACASA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127279013 173115575 /nfs/dbraw/zinc/11/55/75/173115575.db2.gz SYMGSFBNEYPGDW-VIFPVBQESA-N 2 1 234.303 0.345 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250608888 173115626 /nfs/dbraw/zinc/11/56/26/173115626.db2.gz MBBQDJNVFBUZSD-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccs2)C1 ZINC000308969323 173137863 /nfs/dbraw/zinc/13/78/63/173137863.db2.gz YCVJIVDSBHEQSA-LLVKDONJSA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccs2)C1 ZINC000308969323 173137865 /nfs/dbraw/zinc/13/78/65/173137865.db2.gz YCVJIVDSBHEQSA-LLVKDONJSA-N 2 1 226.345 0.904 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOCC2)C1 ZINC000309465808 173138535 /nfs/dbraw/zinc/13/85/35/173138535.db2.gz PGBJLZIQNSGIPF-NWDGAFQWSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOCC2)C1 ZINC000309465808 173138538 /nfs/dbraw/zinc/13/85/38/173138538.db2.gz PGBJLZIQNSGIPF-NWDGAFQWSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CC(C)(C)O)C2)C1 ZINC000308962020 173140180 /nfs/dbraw/zinc/14/01/80/173140180.db2.gz GQUHLZAJCFECFA-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CC(C)(C)O)C2)C1 ZINC000308962020 173140182 /nfs/dbraw/zinc/14/01/82/173140182.db2.gz GQUHLZAJCFECFA-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000308962020 173140184 /nfs/dbraw/zinc/14/01/84/173140184.db2.gz GQUHLZAJCFECFA-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129372818 173145227 /nfs/dbraw/zinc/14/52/27/173145227.db2.gz QCJWPXVHLIGUBM-YPMHNXCESA-N 2 1 247.342 0.754 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037484874 173145248 /nfs/dbraw/zinc/14/52/48/173145248.db2.gz HAWPYXPQEOBVTQ-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168033 173145272 /nfs/dbraw/zinc/14/52/72/173145272.db2.gz MBBQDJNVFBUZSD-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130062995 173147189 /nfs/dbraw/zinc/14/71/89/173147189.db2.gz JQOLLTTWHWBLSK-SNVBAGLBSA-N 2 1 248.330 0.222 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCSC2)C1 ZINC000308966685 173165788 /nfs/dbraw/zinc/16/57/88/173165788.db2.gz WGWKLJRPBIHYEF-MNOVXSKESA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCSC2)C1 ZINC000308966685 173165789 /nfs/dbraw/zinc/16/57/89/173165789.db2.gz WGWKLJRPBIHYEF-MNOVXSKESA-N 2 1 230.377 0.396 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000336714623 173195413 /nfs/dbraw/zinc/19/54/13/173195413.db2.gz PEMNCFUCSOABPD-UTUOFQBUSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365873026 173198524 /nfs/dbraw/zinc/19/85/24/173198524.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@H]2CN(CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC000365873026 173198526 /nfs/dbraw/zinc/19/85/26/173198526.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@H]2CN(CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC000365873026 173198530 /nfs/dbraw/zinc/19/85/30/173198530.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 2 1 237.391 0.964 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268786203 173280787 /nfs/dbraw/zinc/28/07/87/173280787.db2.gz DSYHAZGLCPGGAT-SECBINFHSA-N 2 1 224.308 0.306 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000323043251 173283355 /nfs/dbraw/zinc/28/33/55/173283355.db2.gz OWTHEYWZHQTWOQ-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438248 173306600 /nfs/dbraw/zinc/30/66/00/173306600.db2.gz JECWZALUGMHDSD-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000373837650 173326523 /nfs/dbraw/zinc/32/65/23/173326523.db2.gz STBZQEAEGRXLEC-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901339 173329056 /nfs/dbraw/zinc/32/90/56/173329056.db2.gz KWBIKTSRARHMSI-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000237215829 173329469 /nfs/dbraw/zinc/32/94/69/173329469.db2.gz LSFHWXWZQZXZCD-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000237224264 173329544 /nfs/dbraw/zinc/32/95/44/173329544.db2.gz JUNMVCZQZHPGAD-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[NH2+]CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000193142721 173329904 /nfs/dbraw/zinc/32/99/04/173329904.db2.gz QEKIXOVZEZACBN-LBPRGKRZSA-N 2 1 249.358 0.843 20 0 BCADMP C[NH2+]CC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000377387151 173330321 /nfs/dbraw/zinc/33/03/21/173330321.db2.gz ACFLRAMNWBBPOL-UHFFFAOYSA-N 2 1 236.319 0.363 20 0 BCADMP C[NH2+]CC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237266642 173331233 /nfs/dbraw/zinc/33/12/33/173331233.db2.gz NDTTWRBMHJMKMR-GRYCIOLGSA-N 2 1 241.379 0.688 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000043604478 173340640 /nfs/dbraw/zinc/34/06/40/173340640.db2.gz TWIAOLMAGXUVPE-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357236254 173341185 /nfs/dbraw/zinc/34/11/85/173341185.db2.gz CLQZAKGSMHKXOP-NXEZZACHSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357240791 173341294 /nfs/dbraw/zinc/34/12/94/173341294.db2.gz KGAGLZQTBHDASP-KOLCDFICSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226398485 173344269 /nfs/dbraw/zinc/34/42/69/173344269.db2.gz NEMIGWVYPNVOLD-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000042681341 173347023 /nfs/dbraw/zinc/34/70/23/173347023.db2.gz UZQGAMCQWBLTNC-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000042681341 173347025 /nfs/dbraw/zinc/34/70/25/173347025.db2.gz UZQGAMCQWBLTNC-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438679 173347370 /nfs/dbraw/zinc/34/73/70/173347370.db2.gz XQRVOPHSFSWGFJ-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000309630735 173347474 /nfs/dbraw/zinc/34/74/74/173347474.db2.gz KHGOXBUTAAELQS-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000162710377 173370250 /nfs/dbraw/zinc/37/02/50/173370250.db2.gz QATLZIOSKGONSJ-NSHDSACASA-N 2 1 222.336 0.770 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000162710377 173370252 /nfs/dbraw/zinc/37/02/52/173370252.db2.gz QATLZIOSKGONSJ-NSHDSACASA-N 2 1 222.336 0.770 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399318 173374194 /nfs/dbraw/zinc/37/41/94/173374194.db2.gz OXJOGNMJFLIZEY-UWVGGRQHSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000237225133 173380000 /nfs/dbraw/zinc/38/00/00/173380000.db2.gz SAEVTOMLIWUTPL-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP COCC[NH+](C)C/C=C\C[N@H+](C)CCOC ZINC000339930941 174275627 /nfs/dbraw/zinc/27/56/27/174275627.db2.gz CMUHZLBZPAJTDB-WAYWQWQTSA-N 2 1 230.352 0.699 20 0 BCADMP COCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919130 174278841 /nfs/dbraw/zinc/27/88/41/174278841.db2.gz IVPRIAUMLJSPHS-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP COCC[N@H+]1CC[C@H](Nc2ccnc(C)n2)C1 ZINC000266422635 174316240 /nfs/dbraw/zinc/31/62/40/174316240.db2.gz SFBQTTSKZNCORB-NSHDSACASA-N 2 1 236.319 0.918 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000070531752 174353637 /nfs/dbraw/zinc/35/36/37/174353637.db2.gz AGPVZJDHMWUPRB-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP COCCOCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234648933 174354460 /nfs/dbraw/zinc/35/44/60/174354460.db2.gz BKEVCXBHZUCKIV-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125383604 174355089 /nfs/dbraw/zinc/35/50/89/174355089.db2.gz DFDJBXITIMRTCS-XQQFMLRXSA-N 2 1 242.363 0.709 20 0 BCADMP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000044694157 174358250 /nfs/dbraw/zinc/35/82/50/174358250.db2.gz DPXLNJSONYAWPQ-FRRDWIJNSA-N 2 1 244.379 0.968 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128018880 174359249 /nfs/dbraw/zinc/35/92/49/174359249.db2.gz MGHHBVXEQZZEFE-QWHCGFSZSA-N 2 1 242.363 0.866 20 0 BCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336690957 175420917 /nfs/dbraw/zinc/42/09/17/175420917.db2.gz WOUZJSSESMXAKJ-DCAQKATOSA-N 2 1 246.376 0.090 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336690957 175420918 /nfs/dbraw/zinc/42/09/18/175420918.db2.gz WOUZJSSESMXAKJ-DCAQKATOSA-N 2 1 246.376 0.090 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000383496480 487631444 /nfs/dbraw/zinc/63/14/44/487631444.db2.gz DGCZBFUVMBIEGR-AGIUHOORSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCCCNC(N)=[NH2+])C1 ZINC000303258210 176097568 /nfs/dbraw/zinc/09/75/68/176097568.db2.gz KMODVLULEYRDKW-SNVBAGLBSA-N 2 1 212.341 0.982 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237540281 176097299 /nfs/dbraw/zinc/09/72/99/176097299.db2.gz DTVKHXLHZDETBL-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332634742 176185374 /nfs/dbraw/zinc/18/53/74/176185374.db2.gz ZZPVZSQWFMLWNN-XWIASGKRSA-N 2 1 234.347 0.855 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@H](n2cncn2)C1 ZINC000333283055 176234080 /nfs/dbraw/zinc/23/40/80/176234080.db2.gz MUKFVVWFDNIIFJ-MROQNXINSA-N 2 1 249.362 0.959 20 0 BCADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000331438170 176250931 /nfs/dbraw/zinc/25/09/31/176250931.db2.gz GXIUZIMBLAXANQ-MWLCHTKSSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309119910 176268543 /nfs/dbraw/zinc/26/85/43/176268543.db2.gz NEAIWQNCEHJAIE-HRDYMLBCSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309119910 176268544 /nfs/dbraw/zinc/26/85/44/176268544.db2.gz NEAIWQNCEHJAIE-HRDYMLBCSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCC1 ZINC000309162403 176268602 /nfs/dbraw/zinc/26/86/02/176268602.db2.gz ZOOGRNHAXVAKBR-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000358113498 176268959 /nfs/dbraw/zinc/26/89/59/176268959.db2.gz SSWBFNVSIVCQBE-UTUOFQBUSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000358113498 176268960 /nfs/dbraw/zinc/26/89/60/176268960.db2.gz SSWBFNVSIVCQBE-UTUOFQBUSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309784907 176271098 /nfs/dbraw/zinc/27/10/98/176271098.db2.gz NULMCXNJZMRRIX-KGYLQXTDSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336751168 176271424 /nfs/dbraw/zinc/27/14/24/176271424.db2.gz CAECIYVLZXCBEH-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000362763383 176276346 /nfs/dbraw/zinc/27/63/46/176276346.db2.gz RLIKKLGFQAFBPZ-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000362763383 176276347 /nfs/dbraw/zinc/27/63/47/176276347.db2.gz RLIKKLGFQAFBPZ-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000300414034 176279183 /nfs/dbraw/zinc/27/91/83/176279183.db2.gz ILYFJOMGAOEZAM-NDBYEHHHSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000361232273 176279348 /nfs/dbraw/zinc/27/93/48/176279348.db2.gz XXNMEYNELWPRSA-LPWJVIDDSA-N 2 1 243.395 0.227 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000104341989 176280730 /nfs/dbraw/zinc/28/07/30/176280730.db2.gz NCIBPKFXBZASDC-DDHJBXDOSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000235368408 176291979 /nfs/dbraw/zinc/29/19/79/176291979.db2.gz DMFAPJDNPNZWDV-BDAKNGLRSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000235368408 176291981 /nfs/dbraw/zinc/29/19/81/176291981.db2.gz DMFAPJDNPNZWDV-BDAKNGLRSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000300423998 176357882 /nfs/dbraw/zinc/35/78/82/176357882.db2.gz AFRSBEZGIVYQIR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000300423998 176357884 /nfs/dbraw/zinc/35/78/84/176357884.db2.gz AFRSBEZGIVYQIR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncn1C ZINC000122327776 176367846 /nfs/dbraw/zinc/36/78/46/176367846.db2.gz AKQJKWNQLARQEY-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncn1C ZINC000122327776 176367847 /nfs/dbraw/zinc/36/78/47/176367847.db2.gz AKQJKWNQLARQEY-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CC(=O)NC2CC2)CC[N@H+]1C ZINC000123796840 176370778 /nfs/dbraw/zinc/37/07/78/176370778.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357240656 176657348 /nfs/dbraw/zinc/65/73/48/176657348.db2.gz JTDHONXKKJOJJS-BBBLOLIVSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C(=O)NCC[N@H+]1CCCn1ccnc1 ZINC000183171711 177059643 /nfs/dbraw/zinc/05/96/43/177059643.db2.gz MKXYHNAPWZUWQH-JTQLQIEISA-N 2 1 222.292 0.094 20 0 BCADMP C[C@H]1CC(=O)NCCN1CC[C@@H]1CCC[N@H+]1C ZINC000371199029 177062779 /nfs/dbraw/zinc/06/27/79/177062779.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000019685428 177074899 /nfs/dbraw/zinc/07/48/99/177074899.db2.gz BKRZUJOPRFZKLW-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000340073797 177079025 /nfs/dbraw/zinc/07/90/25/177079025.db2.gz OJEDVILVKPYPCB-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000340073797 177079027 /nfs/dbraw/zinc/07/90/27/177079027.db2.gz OJEDVILVKPYPCB-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000050247917 177092157 /nfs/dbraw/zinc/09/21/57/177092157.db2.gz DZFVHZCEVBVYDJ-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000050247917 177092159 /nfs/dbraw/zinc/09/21/59/177092159.db2.gz DZFVHZCEVBVYDJ-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH3+])CC1 ZINC000336515130 177186570 /nfs/dbraw/zinc/18/65/70/177186570.db2.gz JWSJYDGNHHBNSC-PHIMTYICSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000335568622 177232318 /nfs/dbraw/zinc/23/23/18/177232318.db2.gz RESPYFVFTUMQAW-JGVFFNPUSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000335568622 177232319 /nfs/dbraw/zinc/23/23/19/177232319.db2.gz RESPYFVFTUMQAW-JGVFFNPUSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919910 177234443 /nfs/dbraw/zinc/23/44/43/177234443.db2.gz OCTUGLDWMBHEFP-DTWKUNHWSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919910 177234444 /nfs/dbraw/zinc/23/44/44/177234444.db2.gz OCTUGLDWMBHEFP-DTWKUNHWSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[NH+](C)C ZINC000309102218 177240588 /nfs/dbraw/zinc/24/05/88/177240588.db2.gz GJEPOEXOGMFSGK-JQWIXIFHSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH+](C)C ZINC000309102218 177240589 /nfs/dbraw/zinc/24/05/89/177240589.db2.gz GJEPOEXOGMFSGK-JQWIXIFHSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771423 177245972 /nfs/dbraw/zinc/24/59/72/177245972.db2.gz KNVPLRFXWKCQTQ-CMPLNLGQSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCC[NH2+]CC2)CCO1 ZINC000061274911 177250662 /nfs/dbraw/zinc/25/06/62/177250662.db2.gz HFUHLIDMCZRDIZ-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCC[NH2+]CC2)CCO1 ZINC000061274911 177250664 /nfs/dbraw/zinc/25/06/64/177250664.db2.gz HFUHLIDMCZRDIZ-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000108357033 177254429 /nfs/dbraw/zinc/25/44/29/177254429.db2.gz GEIDDZKMQLSEPV-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000108357033 177254430 /nfs/dbraw/zinc/25/44/30/177254430.db2.gz GEIDDZKMQLSEPV-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000235683811 177307950 /nfs/dbraw/zinc/30/79/50/177307950.db2.gz ZRBUSIIOUNVOSQ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[N@H+]1C ZINC000132955747 177329261 /nfs/dbraw/zinc/32/92/61/177329261.db2.gz IYRMOWSMMIUCEY-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[N@H+]1C ZINC000132955328 177367006 /nfs/dbraw/zinc/36/70/06/177367006.db2.gz IYRMOWSMMIUCEY-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[N@H+]1C ZINC000133150381 177367043 /nfs/dbraw/zinc/36/70/43/177367043.db2.gz KYPUKFULLNOADH-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000383596263 487643477 /nfs/dbraw/zinc/64/34/77/487643477.db2.gz PDWQAXMQRAQROS-XQQFMLRXSA-N 2 1 244.379 0.702 20 0 BCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C/c1ccncc1 ZINC000487577113 225315547 /nfs/dbraw/zinc/31/55/47/225315547.db2.gz QUGZXZYTZDAPKD-NNTXTVRGSA-N 2 1 249.358 0.997 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393963676 487645065 /nfs/dbraw/zinc/64/50/65/487645065.db2.gz JSZHLFOOGXZGRS-RYUDHWBXSA-N 2 1 246.395 0.684 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000492947060 226089882 /nfs/dbraw/zinc/08/98/82/226089882.db2.gz DVSSOGDUFWOLMK-SKXBYLJPSA-N 2 1 237.347 0.124 20 0 BCADMP CN(C(=O)C=Cc1c[nH]cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000493341147 226190457 /nfs/dbraw/zinc/19/04/57/226190457.db2.gz UVJHTUPRUJUCHX-FJOGCWAESA-N 2 1 248.330 0.976 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000493897162 226258646 /nfs/dbraw/zinc/25/86/46/226258646.db2.gz LZGLAXVLZSQYIF-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494637431 226267565 /nfs/dbraw/zinc/26/75/65/226267565.db2.gz LEXPNNIHSBAMKZ-QMMMGPOBSA-N 2 1 235.278 0.229 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400457212 226344135 /nfs/dbraw/zinc/34/41/35/226344135.db2.gz QFHYMGFGWPJTMD-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CCC[NH2+]1 ZINC000400508593 226345312 /nfs/dbraw/zinc/34/53/12/226345312.db2.gz IQAVECNZMLNOMG-RKDXNWHRSA-N 2 1 222.279 0.998 20 0 BCADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400525537 226345766 /nfs/dbraw/zinc/34/57/66/226345766.db2.gz PYVHPKBOPBRCRQ-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000680827496 487650268 /nfs/dbraw/zinc/65/02/68/487650268.db2.gz ZOYDCSCNYXXSMD-JOYOIKCWSA-N 2 1 238.335 0.435 20 0 BCADMP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000226084609 487656545 /nfs/dbraw/zinc/65/65/45/487656545.db2.gz DWKWFORBWOYJLU-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP O[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329311 487657821 /nfs/dbraw/zinc/65/78/21/487657821.db2.gz HAKBZMWXOBCITC-NDBYEHHHSA-N 2 1 224.348 0.689 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC)[C@@H](C)C1 ZINC000383659687 487658798 /nfs/dbraw/zinc/65/87/98/487658798.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000383659687 487658808 /nfs/dbraw/zinc/65/88/08/487658808.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000383659687 487658814 /nfs/dbraw/zinc/65/88/14/487658814.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484590 487663031 /nfs/dbraw/zinc/66/30/31/487663031.db2.gz DADCJTVNAQCXIC-NXEZZACHSA-N 2 1 202.342 0.920 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)C1CCC1 ZINC000383702484 487665341 /nfs/dbraw/zinc/66/53/41/487665341.db2.gz VUKISWCAWIGCDJ-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CCC1 ZINC000383702484 487665345 /nfs/dbraw/zinc/66/53/45/487665345.db2.gz VUKISWCAWIGCDJ-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)C1CCC1 ZINC000383702484 487665350 /nfs/dbraw/zinc/66/53/50/487665350.db2.gz VUKISWCAWIGCDJ-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CCC1 ZINC000383702484 487665355 /nfs/dbraw/zinc/66/53/55/487665355.db2.gz VUKISWCAWIGCDJ-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925468 487670111 /nfs/dbraw/zinc/67/01/11/487670111.db2.gz QBBBQMYRKUNPEO-ZYHUDNBSSA-N 2 1 222.336 0.632 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC[C@H]([NH3+])C1 ZINC000315053373 487670142 /nfs/dbraw/zinc/67/01/42/487670142.db2.gz JOXXSYPHUNNIMN-JTQLQIEISA-N 2 1 208.309 0.386 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000394974038 262758891 /nfs/dbraw/zinc/75/88/91/262758891.db2.gz ZNMHCGCTLVEEMX-GXSJLCMTSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000146448085 487674645 /nfs/dbraw/zinc/67/46/45/487674645.db2.gz AQHYBXCFCXZLLC-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cnn(C)c1 ZINC000227258057 487680756 /nfs/dbraw/zinc/68/07/56/487680756.db2.gz RCOGPLZKTGRXSY-ZYHUDNBSSA-N 2 1 222.336 0.774 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cnn(C)c1 ZINC000227258038 487680835 /nfs/dbraw/zinc/68/08/35/487680835.db2.gz RCOGPLZKTGRXSY-PWSUYJOCSA-N 2 1 222.336 0.774 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384039532 487689642 /nfs/dbraw/zinc/68/96/42/487689642.db2.gz UWSBGFOYNOFCJY-OLZOCXBDSA-N 2 1 246.395 0.684 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402967 487704091 /nfs/dbraw/zinc/70/40/91/487704091.db2.gz CBAXWCNDVXTAFB-QWRGUYRKSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402968 487704491 /nfs/dbraw/zinc/70/44/91/487704491.db2.gz CBAXWCNDVXTAFB-WDEREUQCSA-N 2 1 240.351 0.117 20 0 BCADMP CN(C(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC([NH3+])C1 ZINC000669402960 487704519 /nfs/dbraw/zinc/70/45/19/487704519.db2.gz BZTLYTWTRKHWQF-YVNMAJEFSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403192 487705395 /nfs/dbraw/zinc/70/53/95/487705395.db2.gz OIVNJJXMLQYDDI-QWRGUYRKSA-N 2 1 242.367 0.363 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403310 487706591 /nfs/dbraw/zinc/70/65/91/487706591.db2.gz UPOFZCNKTCEBGZ-DCAQKATOSA-N 2 1 240.351 0.212 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164354 487707686 /nfs/dbraw/zinc/70/76/86/487707686.db2.gz OFSAHYRKWSIKEO-YEJSDXFRSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000249546744 487721464 /nfs/dbraw/zinc/72/14/64/487721464.db2.gz GKQTXFNTEYJZOW-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000903569942 584783511 /nfs/dbraw/zinc/78/35/11/584783511.db2.gz QFGQTTMZWZBUBP-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](C)CC1 ZINC000903569942 584783513 /nfs/dbraw/zinc/78/35/13/584783513.db2.gz QFGQTTMZWZBUBP-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP Cc1ccncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000354662234 487726226 /nfs/dbraw/zinc/72/62/26/487726226.db2.gz WPZBCCSLZSUHPO-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ccncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000354662234 487726232 /nfs/dbraw/zinc/72/62/32/487726232.db2.gz WPZBCCSLZSUHPO-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771603 487728708 /nfs/dbraw/zinc/72/87/08/487728708.db2.gz UEFDBVIOKOKDBV-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](CCO)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000681108863 487728324 /nfs/dbraw/zinc/72/83/24/487728324.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108863 487728327 /nfs/dbraw/zinc/72/83/27/487728327.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108863 487728334 /nfs/dbraw/zinc/72/83/34/487728334.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 1 243.395 0.373 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000082772521 487729882 /nfs/dbraw/zinc/72/98/82/487729882.db2.gz IZJMNZGXIAQYEB-UHFFFAOYSA-N 2 1 215.341 0.570 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394365 487730261 /nfs/dbraw/zinc/73/02/61/487730261.db2.gz BYMHIKAJOPOULP-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250403244 487730701 /nfs/dbraw/zinc/73/07/01/487730701.db2.gz TZYRCBUHMPZWKM-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250403244 487730706 /nfs/dbraw/zinc/73/07/06/487730706.db2.gz TZYRCBUHMPZWKM-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CCCC1)[N@@H+](C)C1CC1 ZINC000226398900 487734895 /nfs/dbraw/zinc/73/48/95/487734895.db2.gz BJCZWBYPYKSZCO-SNVBAGLBSA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582298 487735614 /nfs/dbraw/zinc/73/56/14/487735614.db2.gz GEOQCBJKXFMHQQ-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250787524 487739708 /nfs/dbraw/zinc/73/97/08/487739708.db2.gz YUKLHSKDBFGGAU-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251235403 487751305 /nfs/dbraw/zinc/75/13/05/487751305.db2.gz RMXMQDFBIUWFDN-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251235403 487751313 /nfs/dbraw/zinc/75/13/13/487751313.db2.gz RMXMQDFBIUWFDN-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515580 487762386 /nfs/dbraw/zinc/76/23/86/487762386.db2.gz KNPWWHVVBOWQIH-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772810 /nfs/dbraw/zinc/77/28/10/487772810.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772815 /nfs/dbraw/zinc/77/28/15/487772815.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772819 /nfs/dbraw/zinc/77/28/19/487772819.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772823 /nfs/dbraw/zinc/77/28/23/487772823.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251615143 487777248 /nfs/dbraw/zinc/77/72/48/487777248.db2.gz DTDSHGXQDVSXRB-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251674659 487787993 /nfs/dbraw/zinc/78/79/93/487787993.db2.gz HQFUBBMFZHMTJI-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251674659 487787999 /nfs/dbraw/zinc/78/79/99/487787999.db2.gz HQFUBBMFZHMTJI-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000681390710 487791535 /nfs/dbraw/zinc/79/15/35/487791535.db2.gz OLMUFDYRFMGSNA-AAEUAGOBSA-N 2 1 235.331 0.943 20 0 BCADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000681390710 487791542 /nfs/dbraw/zinc/79/15/42/487791542.db2.gz OLMUFDYRFMGSNA-AAEUAGOBSA-N 2 1 235.331 0.943 20 0 BCADMP CC[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251727334 487793178 /nfs/dbraw/zinc/79/31/78/487793178.db2.gz KFUSVCMDECNJGF-NWDGAFQWSA-N 2 1 222.336 0.942 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251805335 487800293 /nfs/dbraw/zinc/80/02/93/487800293.db2.gz ODEJNGBVNBPEHO-OPRDCNLKSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251805335 487800301 /nfs/dbraw/zinc/80/03/01/487800301.db2.gz ODEJNGBVNBPEHO-OPRDCNLKSA-N 2 1 213.325 0.132 20 0 BCADMP [NH3+]CCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000414705119 487819003 /nfs/dbraw/zinc/81/90/03/487819003.db2.gz LBZTUMGFSDHIBB-GFCCVEGCSA-N 2 1 221.304 0.884 20 0 BCADMP [NH3+]CCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000414752319 487822122 /nfs/dbraw/zinc/82/21/22/487822122.db2.gz BRGVKVVTDXSTIK-UHFFFAOYSA-N 2 1 207.277 0.494 20 0 BCADMP CC[C@H](CC(F)F)C[N@H+](CC[NH3+])CCO ZINC000852746008 588698849 /nfs/dbraw/zinc/69/88/49/588698849.db2.gz CCZHOQOEHUDVAN-SECBINFHSA-N 2 1 224.295 0.921 20 0 BCADMP CC[C@H](CC(F)F)C[N@@H+](CC[NH3+])CCO ZINC000852746008 588698850 /nfs/dbraw/zinc/69/88/50/588698850.db2.gz CCZHOQOEHUDVAN-SECBINFHSA-N 2 1 224.295 0.921 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000389891709 487844643 /nfs/dbraw/zinc/84/46/43/487844643.db2.gz OAPRNXBACKJOBY-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666620266 487846160 /nfs/dbraw/zinc/84/61/60/487846160.db2.gz ZSGKUCXYTFNMJE-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CCNC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666627475 487847105 /nfs/dbraw/zinc/84/71/05/487847105.db2.gz FCMDHEUMUCIPEZ-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224903016 487868674 /nfs/dbraw/zinc/86/86/74/487868674.db2.gz RFVZFHMYSPLBAE-DCAQKATOSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH2+][C@H](C)Cc1noc(C[NH2+]C(C)C)n1 ZINC000564471352 322970451 /nfs/dbraw/zinc/97/04/51/322970451.db2.gz WIIMZYCHGHXEOR-MRVPVSSYSA-N 2 1 212.297 0.718 20 0 BCADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000652220540 487885759 /nfs/dbraw/zinc/88/57/59/487885759.db2.gz CPQJWXWVEKFTDY-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403818399 487891598 /nfs/dbraw/zinc/89/15/98/487891598.db2.gz MOOZXJKEYPMKIK-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669451472 487896647 /nfs/dbraw/zinc/89/66/47/487896647.db2.gz KXBMTGNGWLKLOI-ISALQUGTSA-N 2 1 242.367 0.531 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000666913127 487903401 /nfs/dbraw/zinc/90/34/01/487903401.db2.gz DOQHNVAJAORCCK-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000235155849 487925411 /nfs/dbraw/zinc/92/54/11/487925411.db2.gz TWKJCGDIAOIBMA-AEJSXWLSSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000679354751 487927199 /nfs/dbraw/zinc/92/71/99/487927199.db2.gz ZNHZVHLGTLQRJQ-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP CNCc1cn(Cc2cn3ccccc3n2)nn1 ZINC000090295305 487927544 /nfs/dbraw/zinc/92/75/44/487927544.db2.gz RMUGSIGJARNMSF-UHFFFAOYSA-N 2 1 242.286 0.694 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CC[NH2+]C)C1CC1 ZINC000417483676 487930618 /nfs/dbraw/zinc/93/06/18/487930618.db2.gz JSTKTGRNLXJMRR-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754075 487949628 /nfs/dbraw/zinc/94/96/28/487949628.db2.gz GZUBLECFILPVRT-OUAUKWLOSA-N 2 1 245.342 0.533 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc(C[NH2+]C(C)C)n1 ZINC000564471353 322970498 /nfs/dbraw/zinc/97/04/98/322970498.db2.gz WIIMZYCHGHXEOR-QMMMGPOBSA-N 2 1 212.297 0.718 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479753 323017663 /nfs/dbraw/zinc/01/76/63/323017663.db2.gz LLDICWZQRXVMEI-UTUOFQBUSA-N 2 1 237.351 0.583 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853722 323019249 /nfs/dbraw/zinc/01/92/49/323019249.db2.gz RYWYSAVSDYUVJJ-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569727841 323039002 /nfs/dbraw/zinc/03/90/02/323039002.db2.gz UVVJLZQVQLDAPO-NXEZZACHSA-N 2 1 215.341 0.569 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000569821409 323041687 /nfs/dbraw/zinc/04/16/87/323041687.db2.gz FHRCZWWRHWTZOV-AGIUHOORSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000569859904 323043239 /nfs/dbraw/zinc/04/32/39/323043239.db2.gz FASIHQNXNFAEKE-JGVFFNPUSA-N 2 1 235.278 0.085 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000569928297 323044968 /nfs/dbraw/zinc/04/49/68/323044968.db2.gz COTYTQLPZJHWNQ-JTQLQIEISA-N 2 1 214.309 0.481 20 0 BCADMP CN(CC[NH3+])C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000570161296 323051454 /nfs/dbraw/zinc/05/14/54/323051454.db2.gz IAZAAGBBWIOPJJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(C)(C)C ZINC000570169195 323051813 /nfs/dbraw/zinc/05/18/13/323051813.db2.gz OUNWEGYZSATYIF-LLVKDONJSA-N 2 1 202.342 0.935 20 0 BCADMP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000570334768 323056374 /nfs/dbraw/zinc/05/63/74/323056374.db2.gz MWCHFRIWIQBTCT-UMNHJUIQSA-N 2 1 237.347 0.419 20 0 BCADMP C[N@H+](CCOC[C@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682813 323066937 /nfs/dbraw/zinc/06/69/37/323066937.db2.gz ANIOOTRJWNXPJJ-CHWSQXEVSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCOC[C@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682813 323066938 /nfs/dbraw/zinc/06/69/38/323066938.db2.gz ANIOOTRJWNXPJJ-CHWSQXEVSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000570685967 323067189 /nfs/dbraw/zinc/06/71/89/323067189.db2.gz BUUFZTHEPRJPHS-UWVGGRQHSA-N 2 1 213.325 0.039 20 0 BCADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(N)=O)C1 ZINC000570921277 323074257 /nfs/dbraw/zinc/07/42/57/323074257.db2.gz UQMRMUBMQYEKAZ-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CC(C)[NH2+]CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000570918473 323074276 /nfs/dbraw/zinc/07/42/76/323074276.db2.gz PGJTZEDQVLDDFD-NEPJUHHUSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000319240742 323084383 /nfs/dbraw/zinc/08/43/83/323084383.db2.gz WKHJCDGUXIPYHP-SDDRHHMPSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H](Cc1nc(C[NH3+])no1)[C@H]1CCC[NH2+]C1 ZINC000563118336 323093751 /nfs/dbraw/zinc/09/37/51/323093751.db2.gz BSVSSYOWSRFQPH-BDAKNGLRSA-N 2 1 224.308 0.707 20 0 BCADMP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000563142868 323095175 /nfs/dbraw/zinc/09/51/75/323095175.db2.gz QHFJXXLKIIYDQK-LPEHRKFASA-N 2 1 243.376 0.153 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000567893336 323097482 /nfs/dbraw/zinc/09/74/82/323097482.db2.gz AMDVITSRCSHQEI-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563198388 323101387 /nfs/dbraw/zinc/10/13/87/323101387.db2.gz VRUWQMYSWFEERA-PWSUYJOCSA-N 2 1 234.303 0.060 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000563411370 323124696 /nfs/dbraw/zinc/12/46/96/323124696.db2.gz FCOAUGRUUCSAST-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC1(CNC(=O)CC(F)(F)C[NH3+])CC[NH2+]CC1 ZINC000563628645 323132553 /nfs/dbraw/zinc/13/25/53/323132553.db2.gz QZCXGSNFSZZTJS-UHFFFAOYSA-N 2 1 249.305 0.476 20 0 BCADMP CC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571106575 323135801 /nfs/dbraw/zinc/13/58/01/323135801.db2.gz KFNGEANNPPANDH-GUBZILKMSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571401021 323143586 /nfs/dbraw/zinc/14/35/86/323143586.db2.gz LYEAYKJHZHAFSZ-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571521913 323146819 /nfs/dbraw/zinc/14/68/19/323146819.db2.gz BTAJPTVOGXAADG-QWHCGFSZSA-N 2 1 242.363 0.853 20 0 BCADMP CC[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000531959097 323157889 /nfs/dbraw/zinc/15/78/89/323157889.db2.gz OWWZPLGVRJUMPL-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178049 323205524 /nfs/dbraw/zinc/20/55/24/323205524.db2.gz NWDUCGUWQOJERD-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@@H](C)C1 ZINC000530226753 323219550 /nfs/dbraw/zinc/21/95/50/323219550.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000530226753 323219552 /nfs/dbraw/zinc/21/95/52/323219552.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000530226753 323219554 /nfs/dbraw/zinc/21/95/54/323219554.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 2 1 241.379 0.295 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484938 323284051 /nfs/dbraw/zinc/28/40/51/323284051.db2.gz JHIHEQYCMQKJAK-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCN1CCOCC1 ZINC000565155140 323320006 /nfs/dbraw/zinc/32/00/06/323320006.db2.gz CPPOTINEAVZSFA-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000309281554 323340858 /nfs/dbraw/zinc/34/08/58/323340858.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000309281554 323340861 /nfs/dbraw/zinc/34/08/61/323340861.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CC(C)(C)O ZINC000309281554 323340866 /nfs/dbraw/zinc/34/08/66/323340866.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CC(C)(C)O ZINC000309281554 323340869 /nfs/dbraw/zinc/34/08/69/323340869.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 2 1 232.368 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000309216430 323329533 /nfs/dbraw/zinc/32/95/33/323329533.db2.gz FPJLOSNCJZCFIT-JTQLQIEISA-N 2 1 232.368 0.438 20 0 BCADMP CC(C)(C[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000309299692 323341386 /nfs/dbraw/zinc/34/13/86/323341386.db2.gz SSBBJXMWENVGPX-UHFFFAOYSA-N 2 1 228.321 0.069 20 0 BCADMP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000520813065 324109958 /nfs/dbraw/zinc/10/99/58/324109958.db2.gz PJYTWWHYKQOEOA-VHSXEESVSA-N 2 1 238.339 0.332 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000520813065 324109960 /nfs/dbraw/zinc/10/99/60/324109960.db2.gz PJYTWWHYKQOEOA-VHSXEESVSA-N 2 1 238.339 0.332 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCn1ccnc1 ZINC000195311253 324202108 /nfs/dbraw/zinc/20/21/08/324202108.db2.gz KCPLGHIOHSOEJY-UHFFFAOYSA-N 2 1 224.308 0.340 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213558 324529461 /nfs/dbraw/zinc/52/94/61/324529461.db2.gz AEORXKDVHWZUEH-RYUDHWBXSA-N 2 1 249.362 0.931 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158530457 487963657 /nfs/dbraw/zinc/96/36/57/487963657.db2.gz KGCRAVLVHMHPOU-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)C ZINC000130789011 325088336 /nfs/dbraw/zinc/08/83/36/325088336.db2.gz HVTMKJLUJBXQEC-UHFFFAOYSA-N 2 1 201.314 0.004 20 0 BCADMP CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000131472607 325154935 /nfs/dbraw/zinc/15/49/35/325154935.db2.gz PVCNJQXQXMUPHT-NSHDSACASA-N 2 1 229.368 0.783 20 0 BCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH3+] ZINC000566195157 326010797 /nfs/dbraw/zinc/01/07/97/326010797.db2.gz BLXNXWXBPCRUME-JTQLQIEISA-N 2 1 213.325 0.324 20 0 BCADMP Cc1cc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000566490152 326057297 /nfs/dbraw/zinc/05/72/97/326057297.db2.gz GPCRRRREENXQQB-GHMZBOCLSA-N 2 1 246.314 0.138 20 0 BCADMP Cc1cc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000566490154 326057316 /nfs/dbraw/zinc/05/73/16/326057316.db2.gz GPCRRRREENXQQB-QWRGUYRKSA-N 2 1 246.314 0.138 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918031 326093907 /nfs/dbraw/zinc/09/39/07/326093907.db2.gz DQOHWYQDWFGZMT-AXFHLTTASA-N 2 1 200.326 0.545 20 0 BCADMP COC[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000567177009 326129867 /nfs/dbraw/zinc/12/98/67/326129867.db2.gz WYVUHUNQVJUOFK-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000309823350 326170339 /nfs/dbraw/zinc/17/03/39/326170339.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000309823350 326170343 /nfs/dbraw/zinc/17/03/43/326170343.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000309823350 326170346 /nfs/dbraw/zinc/17/03/46/326170346.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000309823350 326170349 /nfs/dbraw/zinc/17/03/49/326170349.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309823350 326170351 /nfs/dbraw/zinc/17/03/51/326170351.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354089 326172398 /nfs/dbraw/zinc/17/23/98/326172398.db2.gz XAQWVDNWXXWZMI-NNYUYHANSA-N 2 1 239.363 0.522 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383454 326180018 /nfs/dbraw/zinc/18/00/18/326180018.db2.gz AGXPSBIKCDBZMN-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP COc1nccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000567521068 326209609 /nfs/dbraw/zinc/20/96/09/326209609.db2.gz OKIDDVDSDHVREM-ZJUUUORDSA-N 2 1 236.319 0.845 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000567652879 326239052 /nfs/dbraw/zinc/23/90/52/326239052.db2.gz FCBAWFDMPVDZNE-VXGBXAGGSA-N 2 1 237.351 0.788 20 0 BCADMP Cc1cnccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339035 326263458 /nfs/dbraw/zinc/26/34/58/326263458.db2.gz DWSJMYIYDGJODW-ZDUSSCGKSA-N 2 1 235.331 0.940 20 0 BCADMP Cc1cnccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339035 326263460 /nfs/dbraw/zinc/26/34/60/326263460.db2.gz DWSJMYIYDGJODW-ZDUSSCGKSA-N 2 1 235.331 0.940 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000567873341 326274547 /nfs/dbraw/zinc/27/45/47/326274547.db2.gz SNIDWNKOEMJOCO-IJLUTSLNSA-N 2 1 230.352 0.192 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567966320 326289377 /nfs/dbraw/zinc/28/93/77/326289377.db2.gz FHGWWWVLFINDGK-AOOOYVTPSA-N 2 1 222.292 0.045 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000568167258 326318378 /nfs/dbraw/zinc/31/83/78/326318378.db2.gz DDSUZGDYJPSXBM-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000568167258 326318380 /nfs/dbraw/zinc/31/83/80/326318380.db2.gz DDSUZGDYJPSXBM-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000568167258 326318382 /nfs/dbraw/zinc/31/83/82/326318382.db2.gz DDSUZGDYJPSXBM-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000568167258 326318383 /nfs/dbraw/zinc/31/83/83/326318383.db2.gz DDSUZGDYJPSXBM-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234101 326330913 /nfs/dbraw/zinc/33/09/13/326330913.db2.gz DZWRBJNDEHLLSA-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234099 326331060 /nfs/dbraw/zinc/33/10/60/326331060.db2.gz DZWRBJNDEHLLSA-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248575 326334305 /nfs/dbraw/zinc/33/43/05/326334305.db2.gz VDIBVYJGADDZHJ-WYUUTHIRSA-N 3 1 211.353 0.844 20 0 BCADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(N)=O ZINC000568502205 326360165 /nfs/dbraw/zinc/36/01/65/326360165.db2.gz HNKVXOQTJGJQBD-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516812 326362042 /nfs/dbraw/zinc/36/20/42/326362042.db2.gz OQPNGCDXNKJFRR-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000568517519 326362253 /nfs/dbraw/zinc/36/22/53/326362253.db2.gz PJMJLQAMSKIAOE-AOOOYVTPSA-N 2 1 225.336 0.324 20 0 BCADMP CN(Cc1cnc[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000568782631 326377486 /nfs/dbraw/zinc/37/74/86/326377486.db2.gz WHMHKFOGEWJODJ-LLVKDONJSA-N 2 1 208.309 0.841 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396554967 487972958 /nfs/dbraw/zinc/97/29/58/487972958.db2.gz GFDPPAONRXSFPA-MXWKQRLJSA-N 2 1 200.326 0.999 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677183518 487985758 /nfs/dbraw/zinc/98/57/58/487985758.db2.gz VHZANHPEPMIWDH-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000677183518 487985765 /nfs/dbraw/zinc/98/57/65/487985765.db2.gz VHZANHPEPMIWDH-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000677183518 487985771 /nfs/dbraw/zinc/98/57/71/487985771.db2.gz VHZANHPEPMIWDH-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000677183518 487985773 /nfs/dbraw/zinc/98/57/73/487985773.db2.gz VHZANHPEPMIWDH-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000677182840 487992692 /nfs/dbraw/zinc/99/26/92/487992692.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000677182840 487992697 /nfs/dbraw/zinc/99/26/97/487992697.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000677182840 487992705 /nfs/dbraw/zinc/99/27/05/487992705.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000677182840 487992709 /nfs/dbraw/zinc/99/27/09/487992709.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062852778 487997902 /nfs/dbraw/zinc/99/79/02/487997902.db2.gz SWROEGBQTFTZCM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)CC[N@H+]1C ZINC000226831090 487999310 /nfs/dbraw/zinc/99/93/10/487999310.db2.gz PEAUOWBMRUJLTF-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP CC[N@H+](C[C@H]1CCOC1)C[C@H]1CC[NH2+]C1 ZINC000309646771 488009938 /nfs/dbraw/zinc/00/99/38/488009938.db2.gz QRYQIQLJVCXZHQ-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCCOC)CC[C@@H]1[NH3+] ZINC000147480548 488027723 /nfs/dbraw/zinc/02/77/23/488027723.db2.gz CZZGAKYLIZBVCY-RYUDHWBXSA-N 2 1 230.352 0.709 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000220125212 488053168 /nfs/dbraw/zinc/05/31/68/488053168.db2.gz NUCDBWFZUOTNJB-NSHDSACASA-N 2 1 229.368 0.831 20 0 BCADMP CN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491113 488053202 /nfs/dbraw/zinc/05/32/02/488053202.db2.gz MHRHXSXMDSIVKQ-NSHDSACASA-N 2 1 240.351 0.071 20 0 BCADMP COCC[N@H+](CCO)Cc1cnc2n1CCC2 ZINC000667590436 488053261 /nfs/dbraw/zinc/05/32/61/488053261.db2.gz VYRHWEKGOGMFIW-UHFFFAOYSA-N 2 1 239.319 0.270 20 0 BCADMP COCC[N@@H+](CCO)Cc1cnc2n1CCC2 ZINC000667590436 488053272 /nfs/dbraw/zinc/05/32/72/488053272.db2.gz VYRHWEKGOGMFIW-UHFFFAOYSA-N 2 1 239.319 0.270 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150293 488078780 /nfs/dbraw/zinc/07/87/80/488078780.db2.gz JFOAAVXAXUYPQT-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004380 488079467 /nfs/dbraw/zinc/07/94/67/488079467.db2.gz VZZROMHNTKAVQM-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162721 488079548 /nfs/dbraw/zinc/07/95/48/488079548.db2.gz LXJNFFNWTYJUHP-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C)C1 ZINC000389156812 488079703 /nfs/dbraw/zinc/07/97/03/488079703.db2.gz KWGWBFOESXHHHQ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169802 488080018 /nfs/dbraw/zinc/08/00/18/488080018.db2.gz NNACNANAMJMRME-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162725 488080030 /nfs/dbraw/zinc/08/00/30/488080030.db2.gz LXJNFFNWTYJUHP-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000257681648 488080304 /nfs/dbraw/zinc/08/03/04/488080304.db2.gz JGBLDGGDHUWYAA-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)C1CCC1)C1CC1 ZINC000661152654 488081095 /nfs/dbraw/zinc/08/10/95/488081095.db2.gz GJTNSEBQYYBTIV-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)C1CCC1)C1CC1 ZINC000661152654 488081100 /nfs/dbraw/zinc/08/11/00/488081100.db2.gz GJTNSEBQYYBTIV-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000257702548 488085348 /nfs/dbraw/zinc/08/53/48/488085348.db2.gz ONZMFAQDVNMUSH-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000257707388 488085382 /nfs/dbraw/zinc/08/53/82/488085382.db2.gz PSVHNFKJOLCMMG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257760273 488088126 /nfs/dbraw/zinc/08/81/26/488088126.db2.gz XSFUXOYBIRNZMQ-LBPRGKRZSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257760273 488088131 /nfs/dbraw/zinc/08/81/31/488088131.db2.gz XSFUXOYBIRNZMQ-LBPRGKRZSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257760273 488088135 /nfs/dbraw/zinc/08/81/35/488088135.db2.gz XSFUXOYBIRNZMQ-LBPRGKRZSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1cn[nH]c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257760273 488088139 /nfs/dbraw/zinc/08/81/39/488088139.db2.gz XSFUXOYBIRNZMQ-LBPRGKRZSA-N 2 1 249.362 0.198 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743547 488088152 /nfs/dbraw/zinc/08/81/52/488088152.db2.gz ZHPCHZRGAJRFTB-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743547 488088156 /nfs/dbraw/zinc/08/81/56/488088156.db2.gz ZHPCHZRGAJRFTB-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400395 488094381 /nfs/dbraw/zinc/09/43/81/488094381.db2.gz PLLCKDGOBGVMLV-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000389475866 488098453 /nfs/dbraw/zinc/09/84/53/488098453.db2.gz WFBMILZIBYSXJA-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP OCC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000389481903 488098570 /nfs/dbraw/zinc/09/85/70/488098570.db2.gz HDKJLGAUJWLBNT-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310538628 488099421 /nfs/dbraw/zinc/09/94/21/488099421.db2.gz QAIAEYHTPNIEDW-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310538628 488099425 /nfs/dbraw/zinc/09/94/25/488099425.db2.gz QAIAEYHTPNIEDW-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310538628 488099430 /nfs/dbraw/zinc/09/94/30/488099430.db2.gz QAIAEYHTPNIEDW-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647349 488104419 /nfs/dbraw/zinc/10/44/19/488104419.db2.gz NAFPFLJLLPMJEW-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683580 488105482 /nfs/dbraw/zinc/10/54/82/488105482.db2.gz YIXOTYYBXCSNGF-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000084856366 488107975 /nfs/dbraw/zinc/10/79/75/488107975.db2.gz MWUQYQUTDPHSBF-AXFHLTTASA-N 2 1 225.336 0.182 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000397316368 488110799 /nfs/dbraw/zinc/11/07/99/488110799.db2.gz LGYPPPUGPURIIQ-OLZOCXBDSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726832 488111238 /nfs/dbraw/zinc/11/12/38/488111238.db2.gz KUWGBJCPEAZNBA-JTQLQIEISA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726831 488111283 /nfs/dbraw/zinc/11/12/83/488111283.db2.gz KUWGBJCPEAZNBA-SNVBAGLBSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579497 488123018 /nfs/dbraw/zinc/12/30/18/488123018.db2.gz PUQBFPLSUUPFIO-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000674286853 487546576 /nfs/dbraw/zinc/54/65/76/487546576.db2.gz CSNNZAMMTFOOFB-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070088310 487549336 /nfs/dbraw/zinc/54/93/36/487549336.db2.gz AYZGLIBTQVQAPX-SNVBAGLBSA-N 2 1 239.363 0.857 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[NH+](C)C ZINC000674288396 487549647 /nfs/dbraw/zinc/54/96/47/487549647.db2.gz ZMTYZKWSCGWHCQ-VIFPVBQESA-N 2 1 224.308 0.258 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000086271497 487493319 /nfs/dbraw/zinc/49/33/19/487493319.db2.gz KRZNIQOLKGCAMM-AXFHLTTASA-N 2 1 225.336 0.195 20 0 BCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000161608654 487506426 /nfs/dbraw/zinc/50/64/26/487506426.db2.gz DYXBCIODODQUAN-DJLDLDEBSA-N 2 1 229.349 0.035 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657975062 487501499 /nfs/dbraw/zinc/50/14/99/487501499.db2.gz WVLXJLPLZYTDHI-YPMHNXCESA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657975062 487501503 /nfs/dbraw/zinc/50/15/03/487501503.db2.gz WVLXJLPLZYTDHI-YPMHNXCESA-N 2 1 224.348 0.975 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662266628 487503848 /nfs/dbraw/zinc/50/38/48/487503848.db2.gz NREQEQKXPSXYIA-VWYCJHECSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)OC ZINC000300375194 487511659 /nfs/dbraw/zinc/51/16/59/487511659.db2.gz PHBZDRPOYORTHL-VWYCJHECSA-N 2 1 216.325 0.317 20 0 BCADMP CN(C[C@H]1C[NH2+]CCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258991480 488145508 /nfs/dbraw/zinc/14/55/08/488145508.db2.gz VPAOGBOAOZFPGN-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259031279 488147017 /nfs/dbraw/zinc/14/70/17/488147017.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 2 1 225.380 0.870 20 0 BCADMP CCn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000404434984 488160227 /nfs/dbraw/zinc/16/02/27/488160227.db2.gz QKWDSZGBOZYLGD-GXSJLCMTSA-N 2 1 223.324 0.515 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000389152500 488165480 /nfs/dbraw/zinc/16/54/80/488165480.db2.gz JVXYCAJWLHMYCT-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+](C)C)C1CC1 ZINC000674246708 487534938 /nfs/dbraw/zinc/53/49/38/487534938.db2.gz PVROPJSPYUHOPP-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP Cc1noc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000675644370 487759368 /nfs/dbraw/zinc/75/93/68/487759368.db2.gz UBKUHIWSZKMFSJ-GHMZBOCLSA-N 2 1 236.319 0.462 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CO ZINC000643475015 488016057 /nfs/dbraw/zinc/01/60/57/488016057.db2.gz OZCXQRWBAXDSQT-NXEZZACHSA-N 2 1 200.326 0.593 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1C[NH2+]CCO1 ZINC000258991483 488145468 /nfs/dbraw/zinc/14/54/68/488145468.db2.gz VPAOGBOAOZFPGN-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCc1ccnn1C ZINC000230775393 488156552 /nfs/dbraw/zinc/15/65/52/488156552.db2.gz RSTJMDGZZQVLFT-UHFFFAOYSA-N 2 1 210.325 0.504 20 0 BCADMP CO[C@H](C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104520 488173593 /nfs/dbraw/zinc/17/35/93/488173593.db2.gz QLCTZODBGXTOOJ-KOLCDFICSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380104520 488173596 /nfs/dbraw/zinc/17/35/96/488173596.db2.gz QLCTZODBGXTOOJ-KOLCDFICSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380104520 488173597 /nfs/dbraw/zinc/17/35/97/488173597.db2.gz QLCTZODBGXTOOJ-KOLCDFICSA-N 2 1 216.325 0.066 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000519760405 488188314 /nfs/dbraw/zinc/18/83/14/488188314.db2.gz RBXGGMPXGLAIOS-JHJVBQTASA-N 2 1 244.379 0.440 20 0 BCADMP CC(C)[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322556659 488191570 /nfs/dbraw/zinc/19/15/70/488191570.db2.gz CBGOZQOJEPVDSY-YOGCLGLASA-N 2 1 239.363 0.726 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000398073942 488207636 /nfs/dbraw/zinc/20/76/36/488207636.db2.gz AVAUGHRBQPFWQP-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000398109412 488211239 /nfs/dbraw/zinc/21/12/39/488211239.db2.gz WSUIFRNTOWYCSV-GHMZBOCLSA-N 2 1 237.347 0.611 20 0 BCADMP CC[N@@H+](CCNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000398169358 488213477 /nfs/dbraw/zinc/21/34/77/488213477.db2.gz NRVPBIJWQRSEHN-UHFFFAOYSA-N 2 1 225.336 0.468 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382862346 490138768 /nfs/dbraw/zinc/13/87/68/490138768.db2.gz MVHZEWNSAJOUDN-RYUDHWBXSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382862346 490138772 /nfs/dbraw/zinc/13/87/72/490138772.db2.gz MVHZEWNSAJOUDN-RYUDHWBXSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382862346 490138777 /nfs/dbraw/zinc/13/87/77/490138777.db2.gz MVHZEWNSAJOUDN-RYUDHWBXSA-N 2 1 246.395 0.779 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000383552006 490163302 /nfs/dbraw/zinc/16/33/02/490163302.db2.gz XHAWNTGQFAVPRN-STQMWFEESA-N 2 1 234.347 0.981 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000078695174 490217958 /nfs/dbraw/zinc/21/79/58/490217958.db2.gz ZUFIRHNXIKSCAJ-VIFPVBQESA-N 2 1 213.325 0.147 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000584242200 490313078 /nfs/dbraw/zinc/31/30/78/490313078.db2.gz KVWZBSLIDLFEIX-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CN(C)C(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652323 491103534 /nfs/dbraw/zinc/10/35/34/491103534.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H]1CN(C(=O)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082254671 491107682 /nfs/dbraw/zinc/10/76/82/491107682.db2.gz ALOVEUXNTXLDGV-LBPRGKRZSA-N 2 1 247.342 0.678 20 0 BCADMP C[C@H]1CN(C(=O)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000082254671 491107683 /nfs/dbraw/zinc/10/76/83/491107683.db2.gz ALOVEUXNTXLDGV-LBPRGKRZSA-N 2 1 247.342 0.678 20 0 BCADMP [NH3+][C@H]1CCC[C@H](NCC[NH+]2CCCC2)C1 ZINC000086402301 491123838 /nfs/dbraw/zinc/12/38/38/491123838.db2.gz HRZZKTIHSNFAQZ-RYUDHWBXSA-N 2 1 211.353 0.942 20 0 BCADMP [NH3+][C@H]1CCC[C@@H](NCC[NH+]2CCCC2)C1 ZINC000086402299 491123852 /nfs/dbraw/zinc/12/38/52/491123852.db2.gz HRZZKTIHSNFAQZ-NWDGAFQWSA-N 2 1 211.353 0.942 20 0 BCADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCCCO1 ZINC000090322535 491124338 /nfs/dbraw/zinc/12/43/38/491124338.db2.gz OHMUXVJCHXHCEI-XQQFMLRXSA-N 2 1 240.347 0.681 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCCCO1 ZINC000090322535 491124339 /nfs/dbraw/zinc/12/43/39/491124339.db2.gz OHMUXVJCHXHCEI-XQQFMLRXSA-N 2 1 240.347 0.681 20 0 BCADMP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)c2ccccc21 ZINC000132128096 491134945 /nfs/dbraw/zinc/13/49/45/491134945.db2.gz BAJPNHYSKNOIRM-XDTLVQLUSA-N 2 1 245.326 0.999 20 0 BCADMP O[C@@H](C[NH2+]C1CSC1)C[NH+]1CCCC1 ZINC000308530392 491136923 /nfs/dbraw/zinc/13/69/23/491136923.db2.gz ZMQBLQLWYXKGPS-JTQLQIEISA-N 2 1 216.350 0.148 20 0 BCADMP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[NH2+]1 ZINC000400356294 533840794 /nfs/dbraw/zinc/84/07/94/533840794.db2.gz APNKZGOWMWJQEZ-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000891489098 582692048 /nfs/dbraw/zinc/69/20/48/582692048.db2.gz DYYUXWONLLIWIY-LBPRGKRZSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000348340615 535836191 /nfs/dbraw/zinc/83/61/91/535836191.db2.gz PODOVXLZSYTSSY-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000892002261 582758675 /nfs/dbraw/zinc/75/86/75/582758675.db2.gz NBCNYUWIMHQNQA-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000335928316 536344004 /nfs/dbraw/zinc/34/40/04/536344004.db2.gz SSBZLXOTEFKPFF-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+][C@@H]1CCN(CCC[NH+]2CCOCC2)C1 ZINC000070585010 536375509 /nfs/dbraw/zinc/37/55/09/536375509.db2.gz HPECIETUGURZHS-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654726 534901848 /nfs/dbraw/zinc/90/18/48/534901848.db2.gz MHGYICLONDAWNK-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000262335006 536444748 /nfs/dbraw/zinc/44/47/48/536444748.db2.gz HDQCGLWQPYEMKQ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867131 536462244 /nfs/dbraw/zinc/46/22/44/536462244.db2.gz GXZMZFMCLFEAIP-HBNTYKKESA-N 2 1 239.363 0.583 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657951 536473492 /nfs/dbraw/zinc/47/34/92/536473492.db2.gz PRIQPZFNDXQOKK-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP COCCOCC[N@@H+](C)C1CC([NH3+])C1 ZINC000261528838 536494049 /nfs/dbraw/zinc/49/40/49/536494049.db2.gz OKUZTQCOPAZUPJ-UHFFFAOYSA-N 2 1 202.298 0.071 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494681297 528495416 /nfs/dbraw/zinc/49/54/16/528495416.db2.gz KLFUMUDNVRYOQQ-SDDRHHMPSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000494692931 528499260 /nfs/dbraw/zinc/49/92/60/528499260.db2.gz WGDRWWUYLKZHQC-HOSYDEDBSA-N 2 1 239.363 0.711 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336211970 535050731 /nfs/dbraw/zinc/05/07/31/535050731.db2.gz AJXVZAUUSYUTIK-ONGXEEELSA-N 2 1 231.315 0.130 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415507 535153994 /nfs/dbraw/zinc/15/39/94/535153994.db2.gz VNIVRVVQKYSUAU-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(C)C ZINC000224631986 535502990 /nfs/dbraw/zinc/50/29/90/535502990.db2.gz ADKJOCBAMORIKI-GRYCIOLGSA-N 2 1 244.379 0.702 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335957374 535534942 /nfs/dbraw/zinc/53/49/42/535534942.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335957374 535534946 /nfs/dbraw/zinc/53/49/46/535534946.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335957374 535534950 /nfs/dbraw/zinc/53/49/50/535534950.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395337 535565141 /nfs/dbraw/zinc/56/51/41/535565141.db2.gz YNAYMAZDMGLJSQ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(N)=O ZINC000080565275 535595161 /nfs/dbraw/zinc/59/51/61/535595161.db2.gz MUIVOPMODRBKAN-NSHDSACASA-N 2 1 242.367 0.413 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCO)[C@@H](C)C1 ZINC000221702634 535768287 /nfs/dbraw/zinc/76/82/87/535768287.db2.gz UWJLOANLYIIQCE-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000342664160 535887084 /nfs/dbraw/zinc/88/70/84/535887084.db2.gz OXWSKMJKXFICEN-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344394 535954417 /nfs/dbraw/zinc/95/44/17/535954417.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 2 1 241.379 0.125 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251102220 535994612 /nfs/dbraw/zinc/99/46/12/535994612.db2.gz RNIOBQQSIHGYID-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](C)C1 ZINC000335675449 536063741 /nfs/dbraw/zinc/06/37/41/536063741.db2.gz ANRYJVWTNNMPOG-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000335675449 536063745 /nfs/dbraw/zinc/06/37/45/536063745.db2.gz ANRYJVWTNNMPOG-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](C)C1 ZINC000335675449 536063748 /nfs/dbraw/zinc/06/37/48/536063748.db2.gz ANRYJVWTNNMPOG-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000348254396 536370649 /nfs/dbraw/zinc/37/06/49/536370649.db2.gz CINBPHBXSSHBFC-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000348254396 536370651 /nfs/dbraw/zinc/37/06/51/536370651.db2.gz CINBPHBXSSHBFC-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921140 536372403 /nfs/dbraw/zinc/37/24/03/536372403.db2.gz CPWZPUGBSKHNME-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000167532379 536376652 /nfs/dbraw/zinc/37/66/52/536376652.db2.gz AOQZKPSHHJVBRD-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CCNC1=[NH+]CCCN1)C1CCCC1 ZINC000262473627 536386982 /nfs/dbraw/zinc/38/69/82/536386982.db2.gz YMTXMTPBKRIFMC-UHFFFAOYSA-N 2 1 224.352 0.800 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000179253052 536390077 /nfs/dbraw/zinc/39/00/77/536390077.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](C)(O)C1 ZINC000179253052 536390080 /nfs/dbraw/zinc/39/00/80/536390080.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](C)(O)C1 ZINC000179253052 536390082 /nfs/dbraw/zinc/39/00/82/536390082.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541551 536391529 /nfs/dbraw/zinc/39/15/29/536391529.db2.gz BHQAISVPGMWZLQ-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CC3)cn2)CC1 ZINC000054856319 536426738 /nfs/dbraw/zinc/42/67/38/536426738.db2.gz LZPRMRNYOGJVHW-UHFFFAOYSA-N 2 1 247.346 0.480 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000853248080 588728937 /nfs/dbraw/zinc/72/89/37/588728937.db2.gz AJZBTXKCPRDKRJ-SECBINFHSA-N 2 1 229.324 0.415 20 0 BCADMP CCOC(=O)N1CCC([NH2+][C@@H](C)C[NH2+]C)CC1 ZINC000853250020 588729331 /nfs/dbraw/zinc/72/93/31/588729331.db2.gz YMLSJAKQQFFKGG-JTQLQIEISA-N 2 1 243.351 0.805 20 0 BCADMP CC[NH+]1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000854121023 588775468 /nfs/dbraw/zinc/77/54/68/588775468.db2.gz CHOXGBZKNRDMCD-UHFFFAOYSA-N 2 1 222.292 0.116 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000113211448 588827138 /nfs/dbraw/zinc/82/71/38/588827138.db2.gz LKOIHNQFGQLSNK-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000891962024 582748563 /nfs/dbraw/zinc/74/85/63/582748563.db2.gz DSSFLTOKJZKYRH-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP C[N@H+]1CCN(C(=O)NCCC[NH3+])CC1(C)C ZINC000891986745 582753354 /nfs/dbraw/zinc/75/33/54/582753354.db2.gz UHVIJXVJJHDXRT-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCC[NH3+])CC[C@H]21 ZINC000891985787 582753860 /nfs/dbraw/zinc/75/38/60/582753860.db2.gz KBVLVSZMSZCTDT-GHMZBOCLSA-N 2 1 240.351 0.071 20 0 BCADMP OCc1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000892000884 582758198 /nfs/dbraw/zinc/75/81/98/582758198.db2.gz WDHQZEVOGRNNMF-LLVKDONJSA-N 2 1 233.315 0.644 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000892061420 582780070 /nfs/dbraw/zinc/78/00/70/582780070.db2.gz HYJAFIFCKVSMHP-OUAUKWLOSA-N 2 1 240.351 0.069 20 0 BCADMP CN(C[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125497821 582825202 /nfs/dbraw/zinc/82/52/02/582825202.db2.gz QRRVDIPLRQEWPH-CHWSQXEVSA-N 2 1 239.363 0.143 20 0 BCADMP CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849022465 582829179 /nfs/dbraw/zinc/82/91/79/582829179.db2.gz BRCMLOSDJCEZBN-SNVBAGLBSA-N 2 1 228.340 0.231 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034571 582835872 /nfs/dbraw/zinc/83/58/72/582835872.db2.gz YTMVSIPQSRJDMF-NSHDSACASA-N 2 1 242.367 0.357 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043547 582839763 /nfs/dbraw/zinc/83/97/63/582839763.db2.gz PASOGCRFVOXWCQ-SECBINFHSA-N 2 1 228.340 0.229 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612920 582929480 /nfs/dbraw/zinc/92/94/80/582929480.db2.gz GJWCHJKJCYGLPW-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394608491 582996972 /nfs/dbraw/zinc/99/69/72/582996972.db2.gz RBRVVGJTQAATFE-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP OCc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000893160930 583060306 /nfs/dbraw/zinc/06/03/06/583060306.db2.gz YWIVEOKMJREFPF-GFCCVEGCSA-N 2 1 249.314 0.095 20 0 BCADMP OCc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000893160930 583060309 /nfs/dbraw/zinc/06/03/09/583060309.db2.gz YWIVEOKMJREFPF-GFCCVEGCSA-N 2 1 249.314 0.095 20 0 BCADMP OCc1c[nH+]ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000893264403 583080637 /nfs/dbraw/zinc/08/06/37/583080637.db2.gz CTXLTQQPWJMKQS-LLVKDONJSA-N 2 1 244.298 0.619 20 0 BCADMP Cc1cc(N)nc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000893963965 583257489 /nfs/dbraw/zinc/25/74/89/583257489.db2.gz MHMFDLWJDZVPBG-ZDUSSCGKSA-N 2 1 247.346 0.899 20 0 BCADMP CC[NH+]1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857113936 588890076 /nfs/dbraw/zinc/89/00/76/588890076.db2.gz GOJJXNGDIPANSN-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000726691172 583368438 /nfs/dbraw/zinc/36/84/38/583368438.db2.gz AOEYCYRHGUHESE-LBPRGKRZSA-N 2 1 240.347 0.966 20 0 BCADMP Cc1cc(N)nc(NCC2([NH+](C)C)CC2)[nH+]1 ZINC000894231107 583384329 /nfs/dbraw/zinc/38/43/29/583384329.db2.gz KETVOYKVSNJFHE-UHFFFAOYSA-N 2 1 221.308 0.873 20 0 BCADMP CCN(CC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638513788 583434664 /nfs/dbraw/zinc/43/46/64/583434664.db2.gz VQSHMDRIDLRLMW-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[C@@H]1CC(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894491307 583472666 /nfs/dbraw/zinc/47/26/66/583472666.db2.gz FOLCDRXOVULSBH-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894491308 583473130 /nfs/dbraw/zinc/47/31/30/583473130.db2.gz FOLCDRXOVULSBH-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC(=O)N1 ZINC000894728049 583513262 /nfs/dbraw/zinc/51/32/62/583513262.db2.gz CDYKPFDLELHVEV-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC(=O)N1 ZINC000894728049 583513265 /nfs/dbraw/zinc/51/32/65/583513265.db2.gz CDYKPFDLELHVEV-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1[C@@H](Nc2ccncc2C(N)=O)CC[N@H+]1C ZINC000895737411 583718117 /nfs/dbraw/zinc/71/81/17/583718117.db2.gz UHLHPLAKNUWMOU-SCZZXKLOSA-N 2 1 234.303 0.107 20 0 BCADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000895737411 583718119 /nfs/dbraw/zinc/71/81/19/583718119.db2.gz UHLHPLAKNUWMOU-SCZZXKLOSA-N 2 1 234.303 0.107 20 0 BCADMP Cc1cc(CO)cc(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895769280 583724250 /nfs/dbraw/zinc/72/42/50/583724250.db2.gz QNRXDGANHPYVJZ-LLVKDONJSA-N 2 1 221.304 0.998 20 0 BCADMP Cc1cc(CO)cc(NC[C@H]2CCN2C)n1 ZINC000895769280 583724251 /nfs/dbraw/zinc/72/42/51/583724251.db2.gz QNRXDGANHPYVJZ-LLVKDONJSA-N 2 1 221.304 0.998 20 0 BCADMP CN(C)c1ccnc(NC[C@H]2CCN2C)n1 ZINC000895771855 583725187 /nfs/dbraw/zinc/72/51/87/583725187.db2.gz RAOWZLLJAGGMNF-SECBINFHSA-N 2 1 221.308 0.659 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCn3cncc32)C1 ZINC000857978740 588925676 /nfs/dbraw/zinc/92/56/76/588925676.db2.gz JQLXKKHDRLSIGY-UWVGGRQHSA-N 2 1 234.303 0.396 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCn3cncc32)C1 ZINC000857978742 588925971 /nfs/dbraw/zinc/92/59/71/588925971.db2.gz JQLXKKHDRLSIGY-ZJUUUORDSA-N 2 1 234.303 0.396 20 0 BCADMP CO[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895964513 583753834 /nfs/dbraw/zinc/75/38/34/583753834.db2.gz XKRIUALMUFDLIU-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP CO[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000895964513 583753837 /nfs/dbraw/zinc/75/38/37/583753837.db2.gz XKRIUALMUFDLIU-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000896667629 583821756 /nfs/dbraw/zinc/82/17/56/583821756.db2.gz JOVSNKZHUWBVRA-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000896667629 583821757 /nfs/dbraw/zinc/82/17/57/583821757.db2.gz JOVSNKZHUWBVRA-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000896667629 583821759 /nfs/dbraw/zinc/82/17/59/583821759.db2.gz JOVSNKZHUWBVRA-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP CCO[C@H](C[NH2+]C[C@H](OC)C1CC1)C[NH+](C)C ZINC000896876249 583844096 /nfs/dbraw/zinc/84/40/96/583844096.db2.gz CNHJURCBZOHIMO-OLZOCXBDSA-N 2 1 244.379 0.968 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000896947983 583862524 /nfs/dbraw/zinc/86/25/24/583862524.db2.gz DMIMAADBBHBDAR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000896947983 583862526 /nfs/dbraw/zinc/86/25/26/583862526.db2.gz DMIMAADBBHBDAR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000896947983 583862528 /nfs/dbraw/zinc/86/25/28/583862528.db2.gz DMIMAADBBHBDAR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000896947983 583862529 /nfs/dbraw/zinc/86/25/29/583862529.db2.gz DMIMAADBBHBDAR-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335002259 583878843 /nfs/dbraw/zinc/87/88/43/583878843.db2.gz YHAXTEUAHSLYSP-CYBMUJFWSA-N 2 1 234.347 0.959 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000897429480 583973075 /nfs/dbraw/zinc/97/30/75/583973075.db2.gz FEPKELZOLIZDEO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000897429480 583973077 /nfs/dbraw/zinc/97/30/77/583973077.db2.gz FEPKELZOLIZDEO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000897429480 583973079 /nfs/dbraw/zinc/97/30/79/583973079.db2.gz FEPKELZOLIZDEO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864453306 584005508 /nfs/dbraw/zinc/00/55/08/584005508.db2.gz UNKZIPYRTDCPHD-GMTAPVOTSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000864464846 584007981 /nfs/dbraw/zinc/00/79/81/584007981.db2.gz JGAAMBZEUNEUAR-GHMZBOCLSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000864464846 584007984 /nfs/dbraw/zinc/00/79/84/584007984.db2.gz JGAAMBZEUNEUAR-GHMZBOCLSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897845447 584053860 /nfs/dbraw/zinc/05/38/60/584053860.db2.gz QJQISWSHBAUOTO-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898202707 584089585 /nfs/dbraw/zinc/08/95/85/584089585.db2.gz KZAYTIHRBZQSSR-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898611015 584146593 /nfs/dbraw/zinc/14/65/93/584146593.db2.gz QMZFRAAADIYINT-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000899919608 584252329 /nfs/dbraw/zinc/25/23/29/584252329.db2.gz CGDFWKGFEPVINY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC)CCCNC(=O)Cc1cnc[nH]1 ZINC000899932708 584257220 /nfs/dbraw/zinc/25/72/20/584257220.db2.gz WRINTXAZPQDXPL-UHFFFAOYSA-N 2 1 238.335 0.800 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000900831620 584355119 /nfs/dbraw/zinc/35/51/19/584355119.db2.gz KCEDLNMJVPFPHL-TUAOUCFPSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1CN(C(=O)CNc2ccccn2)CC[N@@H+]1C ZINC000900849024 584357334 /nfs/dbraw/zinc/35/73/34/584357334.db2.gz WCSTWFZMCKOOTI-LLVKDONJSA-N 2 1 248.330 0.656 20 0 BCADMP C[C@@H]1CN(C(=O)CNc2ccccn2)CC[N@H+]1C ZINC000900849024 584357338 /nfs/dbraw/zinc/35/73/38/584357338.db2.gz WCSTWFZMCKOOTI-LLVKDONJSA-N 2 1 248.330 0.656 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC000901326429 584430255 /nfs/dbraw/zinc/43/02/55/584430255.db2.gz HLKLUIFUZVMRBK-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000902409212 584575686 /nfs/dbraw/zinc/57/56/86/584575686.db2.gz JLHDVYZPUUKRMG-OUAUKWLOSA-N 2 1 209.337 0.455 20 0 BCADMP CC1(C)C[NH2+]CC[C@H](NCC(F)(F)C[NH3+])C1 ZINC000902393950 584584031 /nfs/dbraw/zinc/58/40/31/584584031.db2.gz SAPPSIFKFGQPEG-VIFPVBQESA-N 2 1 235.322 0.948 20 0 BCADMP C[C@@H]([NH2+]Cc1cnn(CCF)c1)C1C[NH2+]C1 ZINC000902444344 584599169 /nfs/dbraw/zinc/59/91/69/584599169.db2.gz HARPJJCMCQETNC-SECBINFHSA-N 2 1 226.299 0.550 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474654 584602262 /nfs/dbraw/zinc/60/22/62/584602262.db2.gz HGLIZGVUWGEIHH-SZZQBSIJSA-N 2 1 235.375 0.952 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474655 584602354 /nfs/dbraw/zinc/60/23/54/584602354.db2.gz HGLIZGVUWGEIHH-TZNMXHEESA-N 2 1 235.375 0.952 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902447254 584604850 /nfs/dbraw/zinc/60/48/50/584604850.db2.gz XOMKJMYJSBTVEL-RVMXOQNASA-N 2 1 237.391 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451322 584606846 /nfs/dbraw/zinc/60/68/46/584606846.db2.gz WKKZGSJDROUPKC-OUAUKWLOSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@H](NCC[N@H+]1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455106 584609506 /nfs/dbraw/zinc/60/95/06/584609506.db2.gz IVBLSBYTFKBULT-NSHDSACASA-N 2 1 225.380 0.916 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000902455103 584609807 /nfs/dbraw/zinc/60/98/07/584609807.db2.gz ITVDMZQUIVDYEY-QWRGUYRKSA-N 2 1 238.335 0.788 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000902456253 584610124 /nfs/dbraw/zinc/61/01/24/584610124.db2.gz NXZGOYRNHWFAOV-GXSJLCMTSA-N 2 1 238.335 0.646 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)cn1 ZINC000902462141 584612359 /nfs/dbraw/zinc/61/23/59/584612359.db2.gz TURSBMGVUZKHQO-ZYHUDNBSSA-N 2 1 222.336 0.898 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502384 584620926 /nfs/dbraw/zinc/62/09/26/584620926.db2.gz DZEKSLYAGYBTFU-MNOVXSKESA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000902490055 584617289 /nfs/dbraw/zinc/61/72/89/584617289.db2.gz RHZLXOBFOKWXMO-BJDJZHNGSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000902490055 584617291 /nfs/dbraw/zinc/61/72/91/584617291.db2.gz RHZLXOBFOKWXMO-BJDJZHNGSA-N 3 1 211.353 0.796 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000902513324 584623220 /nfs/dbraw/zinc/62/32/20/584623220.db2.gz FIYYKJRIKPODCR-DCAQKATOSA-N 2 1 216.325 0.114 20 0 BCADMP Nc1nc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000902503320 584620398 /nfs/dbraw/zinc/62/03/98/584620398.db2.gz WJIRNXUYMUNOCQ-IONNQARKSA-N 2 1 226.349 0.942 20 0 BCADMP C[C@H]([NH2+]CC[C@@H](O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902505450 584621604 /nfs/dbraw/zinc/62/16/04/584621604.db2.gz SNTYQUOOLYMMPR-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@@H](N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000902485874 584625506 /nfs/dbraw/zinc/62/55/06/584625506.db2.gz AMPHXGWPSAFFIW-KKOKHZNYSA-N 2 1 211.353 0.844 20 0 BCADMP N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487695 584626707 /nfs/dbraw/zinc/62/67/07/584626707.db2.gz LXKFYAZZQCZKSI-BJDJZHNGSA-N 2 1 211.353 0.973 20 0 BCADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487702 584626998 /nfs/dbraw/zinc/62/69/98/584626998.db2.gz LXKFYAZZQCZKSI-KKOKHZNYSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000902489543 584627536 /nfs/dbraw/zinc/62/75/36/584627536.db2.gz RBMJDPWAGKHHEM-KKOKHZNYSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000902489543 584627537 /nfs/dbraw/zinc/62/75/37/584627537.db2.gz RBMJDPWAGKHHEM-KKOKHZNYSA-N 2 1 211.353 0.844 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000903400474 584760581 /nfs/dbraw/zinc/76/05/81/584760581.db2.gz QDTSGNDOZAERAP-YPMHNXCESA-N 2 1 242.363 0.722 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000903400472 584760706 /nfs/dbraw/zinc/76/07/06/584760706.db2.gz QDTSGNDOZAERAP-WCQYABFASA-N 2 1 242.363 0.722 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426436 584760971 /nfs/dbraw/zinc/76/09/71/584760971.db2.gz IVUGKEHPXJYDLW-WHOHXGKFSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426436 584760972 /nfs/dbraw/zinc/76/09/72/584760972.db2.gz IVUGKEHPXJYDLW-WHOHXGKFSA-N 3 1 227.352 0.162 20 0 BCADMP C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425980 584761270 /nfs/dbraw/zinc/76/12/70/584761270.db2.gz DHTMBSJLNANQIV-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439487 584762625 /nfs/dbraw/zinc/76/26/25/584762625.db2.gz IHBYPRUZSFUKNW-MXWKQRLJSA-N 2 1 200.326 0.545 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421983 584763612 /nfs/dbraw/zinc/76/36/12/584763612.db2.gz SEZGGXFWWCXJPM-AGIUHOORSA-N 3 1 225.380 0.773 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421983 584763614 /nfs/dbraw/zinc/76/36/14/584763614.db2.gz SEZGGXFWWCXJPM-AGIUHOORSA-N 3 1 225.380 0.773 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422427 584764725 /nfs/dbraw/zinc/76/47/25/584764725.db2.gz CHKWVWFQZYQSDP-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP CON1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000903458714 584765083 /nfs/dbraw/zinc/76/50/83/584765083.db2.gz HYGQAKZGPGJUKF-DCAQKATOSA-N 2 1 241.335 0.065 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000903458714 584765084 /nfs/dbraw/zinc/76/50/84/584765084.db2.gz HYGQAKZGPGJUKF-DCAQKATOSA-N 2 1 241.335 0.065 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460844 584766667 /nfs/dbraw/zinc/76/66/67/584766667.db2.gz JTOPBZDNRNYUEG-WYUUTHIRSA-N 3 1 211.353 0.925 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000903464060 584767595 /nfs/dbraw/zinc/76/75/95/584767595.db2.gz YDQWCTZIJWQTTM-RWMBFGLXSA-N 2 1 249.362 0.727 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447192 584770450 /nfs/dbraw/zinc/77/04/50/584770450.db2.gz ITDYOUKGPXPKMM-OLZOCXBDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447597 584770731 /nfs/dbraw/zinc/77/07/31/584770731.db2.gz YWPWNWWFZAZTGY-WYUUTHIRSA-N 3 1 211.353 0.783 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903449857 584771184 /nfs/dbraw/zinc/77/11/84/584771184.db2.gz IWVNRENEQWVBSP-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP CON1CC[C@@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450316 584772051 /nfs/dbraw/zinc/77/20/51/584772051.db2.gz UDKYMXYGYXTGSF-GHMZBOCLSA-N 2 1 241.335 0.210 20 0 BCADMP COC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000903456719 584774087 /nfs/dbraw/zinc/77/40/87/584774087.db2.gz JXLVDMGQBJKVSX-NDBYEHHHSA-N 2 1 242.363 0.578 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000903456719 584774088 /nfs/dbraw/zinc/77/40/88/584774088.db2.gz JXLVDMGQBJKVSX-NDBYEHHHSA-N 2 1 242.363 0.578 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456685 584774238 /nfs/dbraw/zinc/77/42/38/584774238.db2.gz IXWFPKSULUJNRC-FVCCEPFGSA-N 2 1 242.363 0.850 20 0 BCADMP Cn1nccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470754 584774670 /nfs/dbraw/zinc/77/46/70/584774670.db2.gz CHVUHFRMRMORSF-LBPRGKRZSA-N 2 1 234.347 0.837 20 0 BCADMP Cn1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000903470143 584774763 /nfs/dbraw/zinc/77/47/63/584774763.db2.gz GPUGOCOVLWIVTD-LBPRGKRZSA-N 2 1 234.347 0.837 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](n3cncn3)C2)C1 ZINC000903457435 584774886 /nfs/dbraw/zinc/77/48/86/584774886.db2.gz SLUTXOQSVRECFT-TUAOUCFPSA-N 2 1 235.335 0.652 20 0 BCADMP COC(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472408 584775893 /nfs/dbraw/zinc/77/58/93/584775893.db2.gz YLWKROAMTUOVEP-JTQLQIEISA-N 2 1 226.320 0.814 20 0 BCADMP Cn1c[nH+]cc1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903472265 584776339 /nfs/dbraw/zinc/77/63/39/584776339.db2.gz QJCGIGOTQOTSFG-GFCCVEGCSA-N 2 1 234.347 0.837 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000903475768 584776649 /nfs/dbraw/zinc/77/66/49/584776649.db2.gz CJYXQSDKJQRUSK-WOPDTQHZSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H](F)CN2)C[C@H]1CC[NH3+] ZINC000903499316 584779990 /nfs/dbraw/zinc/77/99/90/584779990.db2.gz QZNLHXHZNKVISD-WYUUTHIRSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1CC[NH3+] ZINC000903499316 584779991 /nfs/dbraw/zinc/77/99/91/584779991.db2.gz QZNLHXHZNKVISD-WYUUTHIRSA-N 2 1 229.343 0.603 20 0 BCADMP Cc1nc([C@H]2CC[N@@H+](CCOCC[NH3+])C2)no1 ZINC000903490699 584781168 /nfs/dbraw/zinc/78/11/68/584781168.db2.gz DYMDVHGMWHIUEO-JTQLQIEISA-N 2 1 240.307 0.143 20 0 BCADMP CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903576029 584784015 /nfs/dbraw/zinc/78/40/15/584784015.db2.gz YWWWCAGPWITVHK-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000903576029 584784016 /nfs/dbraw/zinc/78/40/16/584784016.db2.gz YWWWCAGPWITVHK-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP [NH3+]C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713432 584793426 /nfs/dbraw/zinc/79/34/26/584793426.db2.gz QFOROARBSZLXRV-OLZOCXBDSA-N 2 1 239.363 0.178 20 0 BCADMP [NH3+]C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713434 584793709 /nfs/dbraw/zinc/79/37/09/584793709.db2.gz QFOROARBSZLXRV-STQMWFEESA-N 2 1 239.363 0.178 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000903716193 584794407 /nfs/dbraw/zinc/79/44/07/584794407.db2.gz IUEMKZHMRCDOGL-GARJFASQSA-N 2 1 226.320 0.466 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760373 584797499 /nfs/dbraw/zinc/79/74/99/584797499.db2.gz GNDFRFKVLKKMJF-OLZOCXBDSA-N 3 1 241.379 0.296 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760373 584797501 /nfs/dbraw/zinc/79/75/01/584797501.db2.gz GNDFRFKVLKKMJF-OLZOCXBDSA-N 3 1 241.379 0.296 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903781875 584799882 /nfs/dbraw/zinc/79/98/82/584799882.db2.gz WNRCJDDQOSGQBC-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903781875 584799884 /nfs/dbraw/zinc/79/98/84/584799884.db2.gz WNRCJDDQOSGQBC-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785505 584800147 /nfs/dbraw/zinc/80/01/47/584800147.db2.gz ZOMZHRSFTHTGBK-JHJVBQTASA-N 2 1 240.347 0.212 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCOCC1 ZINC000903810061 584803232 /nfs/dbraw/zinc/80/32/32/584803232.db2.gz UEYFVIITOKVALK-NEPJUHHUSA-N 2 1 241.379 0.554 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@]2(C)C1 ZINC000903826557 584804937 /nfs/dbraw/zinc/80/49/37/584804937.db2.gz LUPKXTXZRRRRHL-VOAKCMCISA-N 2 1 241.354 0.570 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827862 584805153 /nfs/dbraw/zinc/80/51/53/584805153.db2.gz YYFKCFLAWSGGSS-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903827779 584805162 /nfs/dbraw/zinc/80/51/62/584805162.db2.gz WXEWCTZHKPFHII-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP O=C1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830350 584805305 /nfs/dbraw/zinc/80/53/05/584805305.db2.gz ZQIRDUYWPMYLIE-LBPRGKRZSA-N 2 1 239.363 0.588 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000903831159 584805453 /nfs/dbraw/zinc/80/54/53/584805453.db2.gz FZMAEZCREZXNCC-OSUNSFLBSA-N 2 1 210.321 0.569 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOCC[C@@H]1C ZINC000903830930 584805837 /nfs/dbraw/zinc/80/58/37/584805837.db2.gz BNMZIZGWFURZPT-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP COCC[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903833412 584806245 /nfs/dbraw/zinc/80/62/45/584806245.db2.gz WAJOEQINVGHNAJ-CYBMUJFWSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000903833412 584806246 /nfs/dbraw/zinc/80/62/46/584806246.db2.gz WAJOEQINVGHNAJ-CYBMUJFWSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903838495 584806770 /nfs/dbraw/zinc/80/67/70/584806770.db2.gz YMCWGFJTGFVEBW-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000903838495 584806772 /nfs/dbraw/zinc/80/67/72/584806772.db2.gz YMCWGFJTGFVEBW-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839225 584806946 /nfs/dbraw/zinc/80/69/46/584806946.db2.gz JCXZKJIBYOWDCH-GMTAPVOTSA-N 2 1 216.300 0.391 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](O)[C@@H](F)C2)C1 ZINC000903838838 584807171 /nfs/dbraw/zinc/80/71/71/584807171.db2.gz FXDAFMNPMABEOO-ZRUFSTJUSA-N 2 1 216.300 0.519 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccno1)C2 ZINC000903843961 584807653 /nfs/dbraw/zinc/80/76/53/584807653.db2.gz YDBDRFXCSSQETC-AEJSXWLSSA-N 2 1 207.277 0.986 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccno1)C2 ZINC000903843961 584807654 /nfs/dbraw/zinc/80/76/54/584807654.db2.gz YDBDRFXCSSQETC-AEJSXWLSSA-N 2 1 207.277 0.986 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903843365 584807691 /nfs/dbraw/zinc/80/76/91/584807691.db2.gz JKWOURWODYQSKZ-XQQFMLRXSA-N 3 1 223.364 0.798 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])OC ZINC000903857350 584810282 /nfs/dbraw/zinc/81/02/82/584810282.db2.gz DJXPUDCDANMQCB-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])OC ZINC000903857350 584810283 /nfs/dbraw/zinc/81/02/83/584810283.db2.gz DJXPUDCDANMQCB-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864095 584813248 /nfs/dbraw/zinc/81/32/48/584813248.db2.gz RCVKNLTZWKNDHU-MXWKQRLJSA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864095 584813250 /nfs/dbraw/zinc/81/32/50/584813250.db2.gz RCVKNLTZWKNDHU-MXWKQRLJSA-N 2 1 230.377 0.524 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872435 584815029 /nfs/dbraw/zinc/81/50/29/584815029.db2.gz ZOUYSOJPYFUWFE-GFCCVEGCSA-N 2 1 225.336 0.293 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872435 584815031 /nfs/dbraw/zinc/81/50/31/584815031.db2.gz ZOUYSOJPYFUWFE-GFCCVEGCSA-N 2 1 225.336 0.293 20 0 BCADMP C[C@H]1CNCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874044 584815920 /nfs/dbraw/zinc/81/59/20/584815920.db2.gz RBHJUDDZONOGLY-WODVXLOZSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C[NH2+]CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874044 584815921 /nfs/dbraw/zinc/81/59/21/584815921.db2.gz RBHJUDDZONOGLY-WODVXLOZSA-N 2 1 223.364 0.811 20 0 BCADMP OCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903882741 584818386 /nfs/dbraw/zinc/81/83/86/584818386.db2.gz BDXJCBIMSLMIJN-YOGCLGLASA-N 2 1 224.348 0.974 20 0 BCADMP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903884828 584818791 /nfs/dbraw/zinc/81/87/91/584818791.db2.gz GZQMSCYHUINGAI-SFYZADRCSA-N 2 1 238.278 0.710 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903884828 584818792 /nfs/dbraw/zinc/81/87/92/584818792.db2.gz GZQMSCYHUINGAI-SFYZADRCSA-N 2 1 238.278 0.710 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903915015 584818811 /nfs/dbraw/zinc/81/88/11/584818811.db2.gz XDLOHIZMAFBCKW-OPRDCNLKSA-N 2 1 235.322 0.993 20 0 BCADMP C[C@@H]1[C@H](C)N(C[C@@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903915016 584818855 /nfs/dbraw/zinc/81/88/55/584818855.db2.gz XDLOHIZMAFBCKW-UTLUCORTSA-N 2 1 235.322 0.993 20 0 BCADMP C[C@H]1C[C@H](O)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914776 584818933 /nfs/dbraw/zinc/81/89/33/584818933.db2.gz WDSBODRDOHHABI-ZZIFITQXSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1[C@H](C)N(C[C@H]([NH3+])CC(F)F)CC[N@@H+]1C ZINC000903915014 584819032 /nfs/dbraw/zinc/81/90/32/584819032.db2.gz XDLOHIZMAFBCKW-KXUCPTDWSA-N 2 1 235.322 0.993 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC000903931641 584824888 /nfs/dbraw/zinc/82/48/88/584824888.db2.gz HCYHSWSWBPUMQB-HTQZYQBOSA-N 2 1 222.279 0.814 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CC(F)F)CC[C@@H]21 ZINC000903937404 584826124 /nfs/dbraw/zinc/82/61/24/584826124.db2.gz KEVAYWSPTZQGPA-MXWKQRLJSA-N 2 1 247.333 0.995 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903937504 584826578 /nfs/dbraw/zinc/82/65/78/584826578.db2.gz MGMDZZFOIWASAY-SCZZXKLOSA-N 3 1 235.322 0.947 20 0 BCADMP [NH3+]C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903917316 584826987 /nfs/dbraw/zinc/82/69/87/584826987.db2.gz LFYFMMNUFJHELS-CTEVKTCYSA-N 3 1 223.364 0.844 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978155 584833270 /nfs/dbraw/zinc/83/32/70/584833270.db2.gz HFZPQHVXNBNKQB-BBBLOLIVSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978155 584833271 /nfs/dbraw/zinc/83/32/71/584833271.db2.gz HFZPQHVXNBNKQB-BBBLOLIVSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](N)CC(F)F)C[C@H]1CC[NH3+] ZINC000903978155 584833273 /nfs/dbraw/zinc/83/32/73/584833273.db2.gz HFZPQHVXNBNKQB-BBBLOLIVSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](N)CC(F)F)C[C@H]1CC[NH3+] ZINC000903978155 584833275 /nfs/dbraw/zinc/83/32/75/584833275.db2.gz HFZPQHVXNBNKQB-BBBLOLIVSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000903966720 584834474 /nfs/dbraw/zinc/83/44/74/584834474.db2.gz AIGYUHVBHPRRIR-KXNHARMFSA-N 3 1 211.353 0.701 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302061 584861868 /nfs/dbraw/zinc/86/18/68/584861868.db2.gz UNQOULOQJNUJCH-WISYIIOYSA-N 2 1 211.353 0.783 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000904302720 584862070 /nfs/dbraw/zinc/86/20/70/584862070.db2.gz YBZGHARSHFKOBV-ZMLRMANQSA-N 2 1 247.346 0.618 20 0 BCADMP CN1CCC([N@@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904302473 584862080 /nfs/dbraw/zinc/86/20/80/584862080.db2.gz UQQLRQSFWRJPFI-TXEJJXNPSA-N 3 1 241.379 0.112 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309202 584862508 /nfs/dbraw/zinc/86/25/08/584862508.db2.gz CSSFGVJXJMBWKS-DBIOUOCHSA-N 2 1 225.336 0.310 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000904309282 584862578 /nfs/dbraw/zinc/86/25/78/584862578.db2.gz GKPRPEADCRDFOI-UMNHJUIQSA-N 2 1 237.347 0.467 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904309286 584863024 /nfs/dbraw/zinc/86/30/24/584863024.db2.gz GNEZIPWLNYQCAB-LPEHRKFASA-N 2 1 212.293 0.219 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307421 584863055 /nfs/dbraw/zinc/86/30/55/584863055.db2.gz ACQWHMQZWHZZQI-AOOOYVTPSA-N 2 1 213.325 0.134 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313784 584863241 /nfs/dbraw/zinc/86/32/41/584863241.db2.gz JZHWVSUBGMGTIP-OUAUKWLOSA-N 2 1 225.336 0.454 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312984 584863531 /nfs/dbraw/zinc/86/35/31/584863531.db2.gz VZBIZKPJDKACRA-BBBLOLIVSA-N 2 1 214.309 0.465 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321406 584864101 /nfs/dbraw/zinc/86/41/01/584864101.db2.gz YTZGAMWGOMXZEC-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]([C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000904321664 584864581 /nfs/dbraw/zinc/86/45/81/584864581.db2.gz BBKZXQOFSJCEKH-ZRUFSTJUSA-N 2 1 248.392 0.477 20 0 BCADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1 ZINC000904321881 584864645 /nfs/dbraw/zinc/86/46/45/584864645.db2.gz JKWRAAYAWIWUPJ-PHIMTYICSA-N 2 1 211.353 0.750 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325345 584865586 /nfs/dbraw/zinc/86/55/86/584865586.db2.gz XDBLYVLPHOOSIG-UPJWGTAASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C(N)=O)C1 ZINC000904340151 584866651 /nfs/dbraw/zinc/86/66/51/584866651.db2.gz FEEBGGWRLBBDJH-CHWFTXMASA-N 2 1 225.336 0.310 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C(N)=O)C1 ZINC000904340154 584866871 /nfs/dbraw/zinc/86/68/71/584866871.db2.gz FEEBGGWRLBBDJH-ZNSHCXBVSA-N 2 1 225.336 0.310 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@]23CCOC3)C1 ZINC000904345621 584868295 /nfs/dbraw/zinc/86/82/95/584868295.db2.gz GQMLVXATAQMEDP-GRYCIOLGSA-N 2 1 226.320 0.215 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346094 584868582 /nfs/dbraw/zinc/86/85/82/584868582.db2.gz QQGABUXYYPURLW-MXWKQRLJSA-N 2 1 241.379 0.959 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346414 584868681 /nfs/dbraw/zinc/86/86/81/584868681.db2.gz UCLSQJKBRXWSHT-ZDUSSCGKSA-N 2 1 244.379 0.707 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000904345908 584868696 /nfs/dbraw/zinc/86/86/96/584868696.db2.gz LNECLYCEBPAJBO-GRYCIOLGSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000904350391 584869072 /nfs/dbraw/zinc/86/90/72/584869072.db2.gz KIFIZQZKOMCTSB-AEJSXWLSSA-N 2 1 202.273 0.130 20 0 BCADMP C[NH2+]CCCNCc1ccc(C[NH3+])cc1 ZINC000904353579 584869850 /nfs/dbraw/zinc/86/98/50/584869850.db2.gz NUWSXXJKJCYEEJ-UHFFFAOYSA-N 2 1 207.321 0.844 20 0 BCADMP C[C@H](C[NH3+])C[NH2+]Cc1nccn1C1CC1 ZINC000904353238 584869995 /nfs/dbraw/zinc/86/99/95/584869995.db2.gz JQASPYOHBAPZSW-SECBINFHSA-N 2 1 208.309 0.902 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904354824 584870628 /nfs/dbraw/zinc/87/06/28/584870628.db2.gz HDSLJBBJIPTOCX-JHJVBQTASA-N 3 1 225.380 0.964 20 0 BCADMP Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)nn1 ZINC000904355444 584870690 /nfs/dbraw/zinc/87/06/90/584870690.db2.gz NTJNGHVALUKXRA-SECBINFHSA-N 2 1 221.308 0.291 20 0 BCADMP C[C@]1(CNCC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000904355158 584870701 /nfs/dbraw/zinc/87/07/01/584870701.db2.gz KOBBVMXRQXVORZ-VIFPVBQESA-N 2 1 221.295 0.560 20 0 BCADMP C[C@@]1(CNCC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000904355157 584870941 /nfs/dbraw/zinc/87/09/41/584870941.db2.gz KOBBVMXRQXVORZ-SECBINFHSA-N 2 1 221.295 0.560 20 0 BCADMP [NH3+]C[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CCCC1 ZINC000904359035 584871773 /nfs/dbraw/zinc/87/17/73/584871773.db2.gz WNXNMNKKUIHQPC-QEWOUOOISA-N 3 1 211.353 0.831 20 0 BCADMP [NH3+]CCN1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000904357957 584872274 /nfs/dbraw/zinc/87/22/74/584872274.db2.gz FSFWKRXBQOJNOC-ZDUSSCGKSA-N 2 1 240.395 0.141 20 0 BCADMP [NH3+]CCN1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000904357957 584872276 /nfs/dbraw/zinc/87/22/76/584872276.db2.gz FSFWKRXBQOJNOC-ZDUSSCGKSA-N 2 1 240.395 0.141 20 0 BCADMP C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372746 584873839 /nfs/dbraw/zinc/87/38/39/584873839.db2.gz IDZQAZBULKWYLS-WYUUTHIRSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H]1[C@H](CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372743 584874037 /nfs/dbraw/zinc/87/40/37/584874037.db2.gz IDZQAZBULKWYLS-FIQHERPVSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904372509 584874049 /nfs/dbraw/zinc/87/40/49/584874049.db2.gz DEOIVJGQNWKJHC-MXWKQRLJSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904372509 584874051 /nfs/dbraw/zinc/87/40/51/584874051.db2.gz DEOIVJGQNWKJHC-MXWKQRLJSA-N 2 1 249.362 0.864 20 0 BCADMP COCCNC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904374157 584874130 /nfs/dbraw/zinc/87/41/30/584874130.db2.gz NYSWOOHRMUQTPK-TXEJJXNPSA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CO ZINC000904379936 584876925 /nfs/dbraw/zinc/87/69/25/584876925.db2.gz FWYVRZSDAFQASL-KKOKHZNYSA-N 2 1 212.337 0.674 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000904384693 584877222 /nfs/dbraw/zinc/87/72/22/584877222.db2.gz MEBUZRGPAKAOEN-KXNHARMFSA-N 2 1 209.337 0.598 20 0 BCADMP Cc1nc([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388152 584877900 /nfs/dbraw/zinc/87/79/00/584877900.db2.gz FDKJXBKSYLOKNP-MXWKQRLJSA-N 2 1 236.319 0.905 20 0 BCADMP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904388179 584878456 /nfs/dbraw/zinc/87/84/56/584878456.db2.gz FTPOZRQYROHOPY-KKOKHZNYSA-N 2 1 240.347 0.855 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000904406249 584878699 /nfs/dbraw/zinc/87/86/99/584878699.db2.gz CZUTYGITZNQJOQ-SECBINFHSA-N 2 1 221.308 0.230 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409588 584878814 /nfs/dbraw/zinc/87/88/14/584878814.db2.gz CWTRJHVOHLVTIE-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000904407594 584878936 /nfs/dbraw/zinc/87/89/36/584878936.db2.gz XDEZAWGLLQZOLC-GRYCIOLGSA-N 3 1 209.337 0.267 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409841 584879360 /nfs/dbraw/zinc/87/93/60/584879360.db2.gz JSIHHBJGDZLGKL-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420503 584881980 /nfs/dbraw/zinc/88/19/80/584881980.db2.gz QVLCJRVHZZFPTH-RFQIPJPRSA-N 3 1 237.391 0.916 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000904420464 584882130 /nfs/dbraw/zinc/88/21/30/584882130.db2.gz PHRNRNLQOIMHRZ-WDEREUQCSA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC1(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000904420464 584882132 /nfs/dbraw/zinc/88/21/32/584882132.db2.gz PHRNRNLQOIMHRZ-WDEREUQCSA-N 2 1 209.337 0.267 20 0 BCADMP C([N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000904420672 584882388 /nfs/dbraw/zinc/88/23/88/584882388.db2.gz TUDQHKGFADKXLA-QNWHQSFQSA-N 3 1 221.348 0.137 20 0 BCADMP C([N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000904420672 584882389 /nfs/dbraw/zinc/88/23/89/584882389.db2.gz TUDQHKGFADKXLA-QNWHQSFQSA-N 3 1 221.348 0.137 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420124 584882411 /nfs/dbraw/zinc/88/24/11/584882411.db2.gz CDUCTUGWHUFRRH-NWDGAFQWSA-N 2 1 234.347 0.770 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420124 584882412 /nfs/dbraw/zinc/88/24/12/584882412.db2.gz CDUCTUGWHUFRRH-NWDGAFQWSA-N 2 1 234.347 0.770 20 0 BCADMP C[NH+](C)CC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000732569233 584938714 /nfs/dbraw/zinc/93/87/14/584938714.db2.gz GWLJGAOFHCUPBM-LLVKDONJSA-N 2 1 226.320 0.576 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1(O)CCC1 ZINC000759877337 585381867 /nfs/dbraw/zinc/38/18/67/585381867.db2.gz RPBASWYKLWABMY-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1(O)CCC1 ZINC000759877337 585381868 /nfs/dbraw/zinc/38/18/68/585381868.db2.gz RPBASWYKLWABMY-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762652800 585434761 /nfs/dbraw/zinc/43/47/61/585434761.db2.gz ZFZURZAOYYVXKP-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762652800 585434762 /nfs/dbraw/zinc/43/47/62/585434762.db2.gz ZFZURZAOYYVXKP-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP C[N@@H+](CCF)CCCN1CC[NH+](C)CC1 ZINC000778951463 585742739 /nfs/dbraw/zinc/74/27/39/585742739.db2.gz RWLBUIBMJWFWGG-UHFFFAOYSA-N 2 1 217.332 0.525 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@H]1C ZINC000783917356 585845654 /nfs/dbraw/zinc/84/56/54/585845654.db2.gz WAYOKZPQHXDZGM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783917356 585845655 /nfs/dbraw/zinc/84/56/55/585845655.db2.gz WAYOKZPQHXDZGM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783917356 585845656 /nfs/dbraw/zinc/84/56/56/585845656.db2.gz WAYOKZPQHXDZGM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP COC(=O)[C@H]1[C@@H]2C[N@H+](CCn3ccnc3C)C[C@@H]21 ZINC000794985808 586061657 /nfs/dbraw/zinc/06/16/57/586061657.db2.gz FZDAHLXQTQDZOJ-GDNZZTSVSA-N 2 1 249.314 0.542 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000817914337 586831534 /nfs/dbraw/zinc/83/15/34/586831534.db2.gz VHZMJPJHHPUHOQ-UTUOFQBUSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888523 586831796 /nfs/dbraw/zinc/83/17/96/586831796.db2.gz HGLLXMXHQMHZAD-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888523 586831797 /nfs/dbraw/zinc/83/17/97/586831797.db2.gz HGLLXMXHQMHZAD-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890759 586833211 /nfs/dbraw/zinc/83/32/11/586833211.db2.gz YMMVWWHRWSOOEM-WOPDTQHZSA-N 2 1 211.353 0.811 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000818953276 586917398 /nfs/dbraw/zinc/91/73/98/586917398.db2.gz FHSLTMRGWIERLY-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP CON(C)C(=O)CC[NH2+]CCn1cc[nH+]c1C ZINC000818988087 586919888 /nfs/dbraw/zinc/91/98/88/586919888.db2.gz DESZPCXYYLDOGM-UHFFFAOYSA-N 2 1 240.307 0.191 20 0 BCADMP C[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000820294970 587041786 /nfs/dbraw/zinc/04/17/86/587041786.db2.gz FDROSQQLOYLKFW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000820294970 587041788 /nfs/dbraw/zinc/04/17/88/587041788.db2.gz FDROSQQLOYLKFW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000820294970 587041790 /nfs/dbraw/zinc/04/17/90/587041790.db2.gz FDROSQQLOYLKFW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000820294970 587041792 /nfs/dbraw/zinc/04/17/92/587041792.db2.gz FDROSQQLOYLKFW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000820296266 587041908 /nfs/dbraw/zinc/04/19/08/587041908.db2.gz SQFQUJVPVFCIBX-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000820296266 587041910 /nfs/dbraw/zinc/04/19/10/587041910.db2.gz SQFQUJVPVFCIBX-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)[C@@H](C)C[N@@H+]1C ZINC000821480435 587121812 /nfs/dbraw/zinc/12/18/12/587121812.db2.gz IPOUIIPOQWTNRW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)[C@@H](C)C[N@H+]1C ZINC000821480435 587121813 /nfs/dbraw/zinc/12/18/13/587121813.db2.gz IPOUIIPOQWTNRW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)[NH+](C)C ZINC000827219983 587373390 /nfs/dbraw/zinc/37/33/90/587373390.db2.gz PYUZKCOZYUDOLQ-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP CN(C)C[C@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000827919984 587409871 /nfs/dbraw/zinc/40/98/71/587409871.db2.gz RWNASUIBAJGPBJ-YGRLFVJLSA-N 2 1 218.366 0.248 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827984067 587415148 /nfs/dbraw/zinc/41/51/48/587415148.db2.gz CQGUXVMAQTYMJN-NSHDSACASA-N 2 1 240.282 0.009 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828256537 587428537 /nfs/dbraw/zinc/42/85/37/587428537.db2.gz DNYRBGQOLWSWPF-LLVKDONJSA-N 2 1 231.315 0.144 20 0 BCADMP CC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000828318724 587434572 /nfs/dbraw/zinc/43/45/72/587434572.db2.gz VNKMIWUKUYDSCR-UHFFFAOYSA-N 2 1 229.368 0.960 20 0 BCADMP C[NH+]1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831248150 587593304 /nfs/dbraw/zinc/59/33/04/587593304.db2.gz APPUWSROEHVYHM-UHFFFAOYSA-N 2 1 242.367 0.463 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971464 587640305 /nfs/dbraw/zinc/64/03/05/587640305.db2.gz XXJNZRAGARWUHD-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970620 587640458 /nfs/dbraw/zinc/64/04/58/587640458.db2.gz JUKMDHLZUBUPPY-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971258 587640470 /nfs/dbraw/zinc/64/04/70/587640470.db2.gz UNMYJNKQLHVCDK-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970319 587640566 /nfs/dbraw/zinc/64/05/66/587640566.db2.gz CHQHUCVAGAHJDB-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970624 587640672 /nfs/dbraw/zinc/64/06/72/587640672.db2.gz JUXRMFXUJVDMTC-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971476 587640730 /nfs/dbraw/zinc/64/07/30/587640730.db2.gz YLIAGCPZPZNXIH-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971147 587640932 /nfs/dbraw/zinc/64/09/32/587640932.db2.gz STNYKUBLYKDOPP-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970625 587640943 /nfs/dbraw/zinc/64/09/43/587640943.db2.gz JUXRMFXUJVDMTC-JQWIXIFHSA-N 2 1 243.326 0.289 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834821092 587767602 /nfs/dbraw/zinc/76/76/02/587767602.db2.gz KEKYOSJZUAFAMS-NXEZZACHSA-N 2 1 238.335 0.824 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(C2OCCO2)CC1 ZINC000843058908 588077689 /nfs/dbraw/zinc/07/76/89/588077689.db2.gz BORPPGYNJMZVJS-UHFFFAOYSA-N 2 1 228.336 0.809 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000843080521 588079997 /nfs/dbraw/zinc/07/99/97/588079997.db2.gz IQHQKJNNEOVZBI-NWDGAFQWSA-N 2 1 242.294 0.029 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000843080528 588080418 /nfs/dbraw/zinc/08/04/18/588080418.db2.gz IQHQKJNNEOVZBI-VXGBXAGGSA-N 2 1 242.294 0.029 20 0 BCADMP Cn1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843364785 588104332 /nfs/dbraw/zinc/10/43/32/588104332.db2.gz SGECWXYGQPNSSY-UHFFFAOYSA-N 2 1 235.335 0.391 20 0 BCADMP O=C1OCC[C@@H]1[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843386595 588105383 /nfs/dbraw/zinc/10/53/83/588105383.db2.gz AVUGDDLCZRXBMD-TUAOUCFPSA-N 2 1 238.331 0.623 20 0 BCADMP O=C1OCC[C@@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385757 588105631 /nfs/dbraw/zinc/10/56/31/588105631.db2.gz VTWKFQDBIRNFOF-RYUDHWBXSA-N 2 1 238.331 0.623 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000844172519 588170402 /nfs/dbraw/zinc/17/04/02/588170402.db2.gz VAYWKUSLLYDSGY-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844178335 588172100 /nfs/dbraw/zinc/17/21/00/588172100.db2.gz PKRIHSBXQPDOGP-CMPLNLGQSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[NH+](C)C ZINC000844197848 588173442 /nfs/dbraw/zinc/17/34/42/588173442.db2.gz YROUEFACRYYICU-JGVFFNPUSA-N 2 1 235.278 0.002 20 0 BCADMP [NH3+]CCCCCCN1CCn2c(n[nH]c2=O)C1 ZINC000846221392 588261268 /nfs/dbraw/zinc/26/12/68/588261268.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 1 239.323 0.318 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846227116 588261811 /nfs/dbraw/zinc/26/18/11/588261811.db2.gz GTAXPVKGGUGGAH-YIZRAAEISA-N 2 1 220.263 0.154 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846227116 588261812 /nfs/dbraw/zinc/26/18/12/588261812.db2.gz GTAXPVKGGUGGAH-YIZRAAEISA-N 2 1 220.263 0.154 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000848412162 588380478 /nfs/dbraw/zinc/38/04/78/588380478.db2.gz ZBAGKTVEYQJRHZ-JTQLQIEISA-N 2 1 238.335 0.731 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000848461126 588386133 /nfs/dbraw/zinc/38/61/33/588386133.db2.gz VTCPJRRBUGPMHD-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP CNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000848982448 588424201 /nfs/dbraw/zinc/42/42/01/588424201.db2.gz ANFHLXYYLBWAER-SNVBAGLBSA-N 2 1 228.340 0.087 20 0 BCADMP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000848986953 588425706 /nfs/dbraw/zinc/42/57/06/588425706.db2.gz BPSRWALHOWPIGC-ZJUUUORDSA-N 2 1 212.341 0.851 20 0 BCADMP CCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000848994474 588428356 /nfs/dbraw/zinc/42/83/56/588428356.db2.gz KUZFBHFMRNYCSB-NSHDSACASA-N 2 1 241.383 0.004 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000848996213 588429118 /nfs/dbraw/zinc/42/91/18/588429118.db2.gz LSXVPWXYXLNGNC-SNVBAGLBSA-N 2 1 212.341 0.803 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+](C)C ZINC000848996664 588429714 /nfs/dbraw/zinc/42/97/14/588429714.db2.gz OADTWKPHUOTBPU-NXEZZACHSA-N 2 1 228.340 0.182 20 0 BCADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1 ZINC000849000281 588430459 /nfs/dbraw/zinc/43/04/59/588430459.db2.gz OVUYXZNHPFQZQK-WDEREUQCSA-N 2 1 238.335 0.080 20 0 BCADMP CC[N@@H+](CCNC1=[NH+]CCCN1C)C(C)C ZINC000849000992 588430694 /nfs/dbraw/zinc/43/06/94/588430694.db2.gz MEDWSKGSAWIGLB-UHFFFAOYSA-N 2 1 226.368 0.998 20 0 BCADMP CCNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000849001073 588430777 /nfs/dbraw/zinc/43/07/77/588430777.db2.gz ZVWSDZDMQGCWJB-UHFFFAOYSA-N 2 1 200.330 0.851 20 0 BCADMP CC[C@H](CO)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849017039 588437302 /nfs/dbraw/zinc/43/73/02/588437302.db2.gz YAKJIKXLXOKKQW-GHMZBOCLSA-N 2 1 242.367 0.356 20 0 BCADMP CCNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849022530 588439371 /nfs/dbraw/zinc/43/93/71/588439371.db2.gz GWRGCRMWTWYXKZ-NSHDSACASA-N 2 1 242.367 0.621 20 0 BCADMP CNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849023201 588439647 /nfs/dbraw/zinc/43/96/47/588439647.db2.gz XQEKJTOYUJTWMD-SNVBAGLBSA-N 2 1 210.325 0.747 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000849027649 588441468 /nfs/dbraw/zinc/44/14/68/588441468.db2.gz AKVAYICSMFBPOQ-NSHDSACASA-N 2 1 242.367 0.621 20 0 BCADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC1 ZINC000849033916 588443719 /nfs/dbraw/zinc/44/37/19/588443719.db2.gz DYRDWVHCATYCFT-NSHDSACASA-N 2 1 240.351 0.110 20 0 BCADMP C[NH+](C)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851729091 588618861 /nfs/dbraw/zinc/61/88/61/588618861.db2.gz YSWBDAJYIOUUSR-UHFFFAOYSA-N 2 1 224.308 0.843 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CNC(=O)C1 ZINC000852008677 588654932 /nfs/dbraw/zinc/65/49/32/588654932.db2.gz WPKGCAVUBMEQGK-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CN(Cc1cnc[nH]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852283831 588676173 /nfs/dbraw/zinc/67/61/73/588676173.db2.gz CBBMSYBKIZWQTL-GFCCVEGCSA-N 2 1 238.335 0.298 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852562047 588690680 /nfs/dbraw/zinc/69/06/80/588690680.db2.gz ZQLPLMZCLFTMOY-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852562047 588690681 /nfs/dbraw/zinc/69/06/81/588690681.db2.gz ZQLPLMZCLFTMOY-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC2(COC2)C1 ZINC000852683671 588695387 /nfs/dbraw/zinc/69/53/87/588695387.db2.gz PEPPJICTFPHNBP-GFCCVEGCSA-N 2 1 240.347 0.165 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC2(COC2)C1 ZINC000852683671 588695388 /nfs/dbraw/zinc/69/53/88/588695388.db2.gz PEPPJICTFPHNBP-GFCCVEGCSA-N 2 1 240.347 0.165 20 0 BCADMP C[N@@H+](CCOC(F)F)CCN1CC[NH2+]CC1 ZINC000852743576 588698248 /nfs/dbraw/zinc/69/82/48/588698248.db2.gz FXJVWNHHPNWCGO-UHFFFAOYSA-N 2 1 237.294 0.063 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CNCCO1 ZINC000852746410 588698934 /nfs/dbraw/zinc/69/89/34/588698934.db2.gz KYDFVSGESVQIGX-WVMKXHBISA-N 2 1 239.363 0.319 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CNCCO1 ZINC000852746410 588698935 /nfs/dbraw/zinc/69/89/35/588698935.db2.gz KYDFVSGESVQIGX-WVMKXHBISA-N 2 1 239.363 0.319 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](CCOC(F)F)C1 ZINC000852748276 588699285 /nfs/dbraw/zinc/69/92/85/588699285.db2.gz PFQWPNACGTUZKU-SECBINFHSA-N 2 1 208.252 0.896 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC(F)F)C1 ZINC000852748276 588699286 /nfs/dbraw/zinc/69/92/86/588699286.db2.gz PFQWPNACGTUZKU-SECBINFHSA-N 2 1 208.252 0.896 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000852755726 588700451 /nfs/dbraw/zinc/70/04/51/588700451.db2.gz BOZWRYLDEOPROS-UHFFFAOYSA-N 3 1 211.353 0.929 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CCCCCC[NH3+] ZINC000852755726 588700452 /nfs/dbraw/zinc/70/04/52/588700452.db2.gz BOZWRYLDEOPROS-UHFFFAOYSA-N 2 1 211.353 0.929 20 0 BCADMP NCC12CC(C1)C[N@H+]2CCCCCC[NH3+] ZINC000852755726 588700453 /nfs/dbraw/zinc/70/04/53/588700453.db2.gz BOZWRYLDEOPROS-UHFFFAOYSA-N 2 1 211.353 0.929 20 0 BCADMP [NH3+]CCCCCCN1CC2CC1(C[NH3+])C2 ZINC000852755726 588700454 /nfs/dbraw/zinc/70/04/54/588700454.db2.gz BOZWRYLDEOPROS-UHFFFAOYSA-N 2 1 211.353 0.929 20 0 BCADMP CC12CC(C1)C[N@@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000852785436 588702186 /nfs/dbraw/zinc/70/21/86/588702186.db2.gz KIZQUUVOCYCZGQ-OTTFEQOBSA-N 2 1 224.348 0.927 20 0 BCADMP CC12CC(C1)C[N@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000852785436 588702187 /nfs/dbraw/zinc/70/21/87/588702187.db2.gz KIZQUUVOCYCZGQ-OTTFEQOBSA-N 2 1 224.348 0.927 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852844215 588707645 /nfs/dbraw/zinc/70/76/45/588707645.db2.gz ACEHSYUWPIMVKC-BBBLOLIVSA-N 2 1 225.336 0.323 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C=C1CC[NH2+]CC1 ZINC000852876625 588710542 /nfs/dbraw/zinc/71/05/42/588710542.db2.gz NESKENFXMBFAFS-UHFFFAOYSA-N 2 1 233.262 0.006 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000852881627 588710982 /nfs/dbraw/zinc/71/09/82/588710982.db2.gz YSLUPUFGRXUHGI-YUMQZZPRSA-N 2 1 235.278 0.050 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000861564031 589168391 /nfs/dbraw/zinc/16/83/91/589168391.db2.gz HBNPJVGYQJOXGJ-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861571955 589168403 /nfs/dbraw/zinc/16/84/03/589168403.db2.gz KEQFONQQZGUREE-WDEREUQCSA-N 2 1 244.383 0.705 20 0 BCADMP CCN(CC[NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000861570425 589168470 /nfs/dbraw/zinc/16/84/70/589168470.db2.gz QCJBCKLHNDFFIP-UHFFFAOYSA-N 2 1 244.383 0.707 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000861565081 589168645 /nfs/dbraw/zinc/16/86/45/589168645.db2.gz FJWUICPETYPSJE-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000861574079 589168927 /nfs/dbraw/zinc/16/89/27/589168927.db2.gz OLWNGCGRCYNHKY-ZJUUUORDSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000861574078 589168958 /nfs/dbraw/zinc/16/89/58/589168958.db2.gz OLWNGCGRCYNHKY-VHSXEESVSA-N 2 1 242.367 0.458 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651528 589173215 /nfs/dbraw/zinc/17/32/15/589173215.db2.gz VHLOGMJWRAZWDT-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP Nc1ncccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863539654 589296822 /nfs/dbraw/zinc/29/68/22/589296822.db2.gz HHPUFNPUZZRBNU-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP Nc1ncccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863539654 589296823 /nfs/dbraw/zinc/29/68/23/589296823.db2.gz HHPUFNPUZZRBNU-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(C=O)CC2)C[NH2+]1 ZINC000863548525 589298496 /nfs/dbraw/zinc/29/84/96/589298496.db2.gz YVFGYDBGNHEPGV-ZYHUDNBSSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[NH2+]C2)s1 ZINC000863651669 589307918 /nfs/dbraw/zinc/30/79/18/589307918.db2.gz FRZPIAQHICWDID-SECBINFHSA-N 2 1 240.376 0.656 20 0 BCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000863904982 589325158 /nfs/dbraw/zinc/32/51/58/589325158.db2.gz DUARCSOSMRGVNI-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000863904982 589325159 /nfs/dbraw/zinc/32/51/59/589325159.db2.gz DUARCSOSMRGVNI-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC1(O)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000864050180 589335008 /nfs/dbraw/zinc/33/50/08/589335008.db2.gz XRKFGHYTEGPQET-UHFFFAOYSA-N 2 1 238.335 0.298 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000864458212 589367913 /nfs/dbraw/zinc/36/79/13/589367913.db2.gz YOCYYUYJRBRLNU-WPRPVWTQSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000864458212 589367915 /nfs/dbraw/zinc/36/79/15/589367915.db2.gz YOCYYUYJRBRLNU-WPRPVWTQSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[NH+](C)C ZINC000864458391 589368089 /nfs/dbraw/zinc/36/80/89/589368089.db2.gz ZXURGKARMINLNR-VIFPVBQESA-N 2 1 212.341 0.851 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000866659477 589508236 /nfs/dbraw/zinc/50/82/36/589508236.db2.gz MNCCQHIUQCEIHX-GHMZBOCLSA-N 2 1 235.335 0.436 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704017 589513613 /nfs/dbraw/zinc/51/36/13/589513613.db2.gz NUKIBUGMNUFISW-WOPDTQHZSA-N 2 1 244.404 0.642 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704802 589514190 /nfs/dbraw/zinc/51/41/90/589514190.db2.gz YDTKBFBPPVYHSB-CMPLNLGQSA-N 2 1 230.352 0.050 20 0 BCADMP CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707137 589514516 /nfs/dbraw/zinc/51/45/16/589514516.db2.gz GXKKQJXGGHQYNU-AXFHLTTASA-N 2 1 239.319 0.263 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708150 589514731 /nfs/dbraw/zinc/51/47/31/589514731.db2.gz PTCMQEXMIGDPJG-CYBMUJFWSA-N 2 1 241.379 0.772 20 0 BCADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000866723968 589515895 /nfs/dbraw/zinc/51/58/95/589515895.db2.gz KLTKMMORSBSOTD-FRRDWIJNSA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000866723968 589515896 /nfs/dbraw/zinc/51/58/96/589515896.db2.gz KLTKMMORSBSOTD-FRRDWIJNSA-N 3 1 223.364 0.812 20 0 BCADMP CN1CC[N@H+](CCC[NH3+])Cc2cccnc21 ZINC000866727756 589516815 /nfs/dbraw/zinc/51/68/15/589516815.db2.gz SJNDRBPHTABFLV-UHFFFAOYSA-N 2 1 220.320 0.682 20 0 BCADMP CN1CC[N@@H+](CCC[NH3+])Cc2cccnc21 ZINC000866727756 589516816 /nfs/dbraw/zinc/51/68/16/589516816.db2.gz SJNDRBPHTABFLV-UHFFFAOYSA-N 2 1 220.320 0.682 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871174 589692894 /nfs/dbraw/zinc/69/28/94/589692894.db2.gz JMBLGEVCCCVLPR-SDDRHHMPSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871175 589693118 /nfs/dbraw/zinc/69/31/18/589693118.db2.gz JMBLGEVCCCVLPR-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000870928966 589697798 /nfs/dbraw/zinc/69/77/98/589697798.db2.gz NICAIGMHNQUEJZ-UTLUCORTSA-N 2 1 225.336 0.465 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971320 589703130 /nfs/dbraw/zinc/70/31/30/589703130.db2.gz ZHNISZDMLMQSDC-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000870981051 589704372 /nfs/dbraw/zinc/70/43/72/589704372.db2.gz FMFDSKMOAGJPCI-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]21 ZINC000870980762 589704424 /nfs/dbraw/zinc/70/44/24/589704424.db2.gz BPBOLITWLAFOQZ-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981531 589704625 /nfs/dbraw/zinc/70/46/25/589704625.db2.gz JGKAZQOBRMKGBL-TUAOUCFPSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981596 589704716 /nfs/dbraw/zinc/70/47/16/589704716.db2.gz JOMIBEZKXVQGRG-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983068 589705031 /nfs/dbraw/zinc/70/50/31/589705031.db2.gz SIDKKOQXTOFJRI-HBNTYKKESA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983125 589705099 /nfs/dbraw/zinc/70/50/99/589705099.db2.gz SWDDEGQPUDOTFE-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983278 589705314 /nfs/dbraw/zinc/70/53/14/589705314.db2.gz URCQBMKJBQECQS-SRVKXCTJSA-N 2 1 239.363 0.395 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983064 589705428 /nfs/dbraw/zinc/70/54/28/589705428.db2.gz SIDKKOQXTOFJRI-DCAQKATOSA-N 2 1 225.336 0.147 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])N(C)CCOC ZINC000871603681 589774362 /nfs/dbraw/zinc/77/43/62/589774362.db2.gz CUJKEZVZNBQDTN-UHFFFAOYSA-N 2 1 244.383 0.821 20 0 BCADMP C[NH+](C)C1CC[NH+](CCC2OCCO2)CC1 ZINC000123786842 589813555 /nfs/dbraw/zinc/81/35/55/589813555.db2.gz KXHDOQFGMKIEPY-UHFFFAOYSA-N 2 1 228.336 0.775 20 0 BCADMP [NH3+][C@H](CC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000123864345 589830960 /nfs/dbraw/zinc/83/09/60/589830960.db2.gz OMDFRZVOWFLJQX-GFCCVEGCSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000872153970 589884992 /nfs/dbraw/zinc/88/49/92/589884992.db2.gz KXDPAKCGMNOKFC-GMXVVIOVSA-N 2 1 247.346 0.307 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000872157065 589885126 /nfs/dbraw/zinc/88/51/26/589885126.db2.gz HSFRNLZDCATQSY-UHFFFAOYSA-N 2 1 225.336 0.341 20 0 BCADMP C[NH2+]CCC[N@H+]1CCNC(=O)CC12CCC2 ZINC000872157065 589885128 /nfs/dbraw/zinc/88/51/28/589885128.db2.gz HSFRNLZDCATQSY-UHFFFAOYSA-N 2 1 225.336 0.341 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000872154150 589885774 /nfs/dbraw/zinc/88/57/74/589885774.db2.gz PDFICPXOGYVCRX-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155868 589886019 /nfs/dbraw/zinc/88/60/19/589886019.db2.gz ZAKVYHUOKOVXDS-SNVBAGLBSA-N 2 1 240.355 0.722 20 0 BCADMP C[C@H](c1nnnn1C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155868 589886020 /nfs/dbraw/zinc/88/60/20/589886020.db2.gz ZAKVYHUOKOVXDS-SNVBAGLBSA-N 2 1 240.355 0.722 20 0 BCADMP COCC1([N@@H+](C)CCOCC[NH3+])CCC1 ZINC000872157602 589886083 /nfs/dbraw/zinc/88/60/83/589886083.db2.gz NMNAEGYREMGRSV-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873202133 589992958 /nfs/dbraw/zinc/99/29/58/589992958.db2.gz UPOZZHPGXQDARS-DTWKUNHWSA-N 2 1 221.308 0.228 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873202133 589992961 /nfs/dbraw/zinc/99/29/61/589992961.db2.gz UPOZZHPGXQDARS-DTWKUNHWSA-N 2 1 221.308 0.228 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214006 589996862 /nfs/dbraw/zinc/99/68/62/589996862.db2.gz ULIXFOVPWOUTOK-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214006 589996864 /nfs/dbraw/zinc/99/68/64/589996864.db2.gz ULIXFOVPWOUTOK-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213658 589996881 /nfs/dbraw/zinc/99/68/81/589996881.db2.gz LGGFECDYNIREGS-MXWKQRLJSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213658 589996883 /nfs/dbraw/zinc/99/68/83/589996883.db2.gz LGGFECDYNIREGS-MXWKQRLJSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213659 589997578 /nfs/dbraw/zinc/99/75/78/589997578.db2.gz LGGFECDYNIREGS-OUAUKWLOSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213659 589997581 /nfs/dbraw/zinc/99/75/81/589997581.db2.gz LGGFECDYNIREGS-OUAUKWLOSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccnn1C ZINC000873223985 590000457 /nfs/dbraw/zinc/00/04/57/590000457.db2.gz WBXPAYIKOJCCTQ-SECBINFHSA-N 2 1 208.309 0.823 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873238867 590005240 /nfs/dbraw/zinc/00/52/40/590005240.db2.gz IOHDGPKSHNFSTI-LZRJYULZSA-N 2 1 236.359 0.997 20 0 BCADMP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873255971 590011107 /nfs/dbraw/zinc/01/11/07/590011107.db2.gz KGLJNMWLYHXWJE-LPWJVIDDSA-N 3 1 223.364 0.940 20 0 BCADMP N[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256535 590011416 /nfs/dbraw/zinc/01/14/16/590011416.db2.gz OYBZJBKTPKJQEN-FIQHERPVSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873269257 590015379 /nfs/dbraw/zinc/01/53/79/590015379.db2.gz FFKIDKBPSUTFHG-JLLWLGSASA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873271150 590016436 /nfs/dbraw/zinc/01/64/36/590016436.db2.gz FFKIDKBPSUTFHG-ZMLRMANQSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccnn1C ZINC000873276471 590017613 /nfs/dbraw/zinc/01/76/13/590017613.db2.gz UKKHJOJUCFFUOW-RKDXNWHRSA-N 2 1 208.309 0.679 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822161 590141329 /nfs/dbraw/zinc/14/13/29/590141329.db2.gz GKIBRNVPZUCDEM-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822163 590141679 /nfs/dbraw/zinc/14/16/79/590141679.db2.gz GKIBRNVPZUCDEM-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514521 590206109 /nfs/dbraw/zinc/20/61/09/590206109.db2.gz XOFKBWWVTIJKEH-LLVKDONJSA-N 2 1 236.319 0.389 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126090680 590229041 /nfs/dbraw/zinc/22/90/41/590229041.db2.gz JZPWVHZIXYDHKP-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000126090871 590229046 /nfs/dbraw/zinc/22/90/46/590229046.db2.gz JZPWVHZIXYDHKP-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876733822 590234362 /nfs/dbraw/zinc/23/43/62/590234362.db2.gz IKHMPZRHNKRLFN-OUAUKWLOSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876806262 590244338 /nfs/dbraw/zinc/24/43/38/590244338.db2.gz MIUOTZGULWNZFF-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000876808982 590244975 /nfs/dbraw/zinc/24/49/75/590244975.db2.gz OFHQPDSIMXBJIR-RQJHMYQMSA-N 2 1 235.278 0.070 20 0 BCADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000876809617 590245218 /nfs/dbraw/zinc/24/52/18/590245218.db2.gz VMVLHYZEBJZXJS-BNEREYBLSA-N 2 1 247.289 0.108 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876851198 590249420 /nfs/dbraw/zinc/24/94/20/590249420.db2.gz DLOJTLTWFULAOT-YUMQZZPRSA-N 2 1 235.278 0.050 20 0 BCADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1cnc[nH]1 ZINC000876882502 590252709 /nfs/dbraw/zinc/25/27/09/590252709.db2.gz JTIOERFAVGMCNV-HMDXOVGESA-N 2 1 234.303 0.582 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876923576 590257970 /nfs/dbraw/zinc/25/79/70/590257970.db2.gz DMQXANODUNESSX-CYBMUJFWSA-N 2 1 248.330 0.546 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103481 590283820 /nfs/dbraw/zinc/28/38/20/590283820.db2.gz VJUGXGBXXGYCHQ-VIFPVBQESA-N 2 1 201.314 0.134 20 0 BCADMP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CSC[NH2+]1 ZINC000877187783 590298470 /nfs/dbraw/zinc/29/84/70/590298470.db2.gz HFVOQUMAGVDWEN-YUCVTWSNSA-N 2 1 241.360 0.131 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@H]21 ZINC000877250159 590303409 /nfs/dbraw/zinc/30/34/09/590303409.db2.gz OFDRZGDITVIPCO-GHMZBOCLSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@@H]21 ZINC000877250161 590303612 /nfs/dbraw/zinc/30/36/12/590303612.db2.gz OFDRZGDITVIPCO-QWRGUYRKSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@H]21 ZINC000877250155 590304017 /nfs/dbraw/zinc/30/40/17/590304017.db2.gz OEDDGRKZUGLKIN-CKIKVBCHSA-N 2 1 249.358 0.289 20 0 BCADMP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)C1CC[NH2+]CC1 ZINC000877252895 590304433 /nfs/dbraw/zinc/30/44/33/590304433.db2.gz ASCOPGHEJXYXQQ-PSASIEDQSA-N 2 1 243.376 0.153 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272750 590305446 /nfs/dbraw/zinc/30/54/46/590305446.db2.gz KKAUODOUUZRORA-NEPJUHHUSA-N 2 1 248.330 0.544 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285033 590306944 /nfs/dbraw/zinc/30/69/44/590306944.db2.gz XSLFGAMKMGGBAM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375225 590319672 /nfs/dbraw/zinc/31/96/72/590319672.db2.gz VPLRYUKMZRIJFT-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391046 590322056 /nfs/dbraw/zinc/32/20/56/590322056.db2.gz MAMONKIYHVSBKF-WCQYABFASA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451648 590329773 /nfs/dbraw/zinc/32/97/73/590329773.db2.gz SCFPMPMJMIAYBU-FPYNETTCSA-N 2 1 249.358 0.147 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451650 590329910 /nfs/dbraw/zinc/32/99/10/590329910.db2.gz SCFPMPMJMIAYBU-MLGHIDQZSA-N 2 1 249.358 0.147 20 0 BCADMP CN(C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000878864802 590634324 /nfs/dbraw/zinc/63/43/24/590634324.db2.gz AJXFPTATBKYHGR-OLZOCXBDSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000878864802 590634329 /nfs/dbraw/zinc/63/43/29/590634329.db2.gz AJXFPTATBKYHGR-OLZOCXBDSA-N 2 1 242.363 0.146 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573766 590810043 /nfs/dbraw/zinc/81/00/43/590810043.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573766 590810047 /nfs/dbraw/zinc/81/00/47/590810047.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573766 590810051 /nfs/dbraw/zinc/81/00/51/590810051.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000879571481 590810498 /nfs/dbraw/zinc/81/04/98/590810498.db2.gz AIAYAFXGQCHZBU-KBPBESRZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000879571481 590810502 /nfs/dbraw/zinc/81/05/02/590810502.db2.gz AIAYAFXGQCHZBU-KBPBESRZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000879571481 590810506 /nfs/dbraw/zinc/81/05/06/590810506.db2.gz AIAYAFXGQCHZBU-KBPBESRZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000879571481 590810511 /nfs/dbraw/zinc/81/05/11/590810511.db2.gz AIAYAFXGQCHZBU-KBPBESRZSA-N 2 1 248.374 0.989 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612665 590830582 /nfs/dbraw/zinc/83/05/82/590830582.db2.gz JQHKVQUYZKUZDI-XQQFMLRXSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612665 590830584 /nfs/dbraw/zinc/83/05/84/590830584.db2.gz JQHKVQUYZKUZDI-XQQFMLRXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612665 590830587 /nfs/dbraw/zinc/83/05/87/590830587.db2.gz JQHKVQUYZKUZDI-XQQFMLRXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612665 590830589 /nfs/dbraw/zinc/83/05/89/590830589.db2.gz JQHKVQUYZKUZDI-XQQFMLRXSA-N 2 1 242.363 0.288 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444226 591045792 /nfs/dbraw/zinc/04/57/92/591045792.db2.gz RIWHMNBSIUDQIB-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444226 591045802 /nfs/dbraw/zinc/04/58/02/591045802.db2.gz RIWHMNBSIUDQIB-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444226 591045806 /nfs/dbraw/zinc/04/58/06/591045806.db2.gz RIWHMNBSIUDQIB-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP COC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473430 591053411 /nfs/dbraw/zinc/05/34/11/591053411.db2.gz YYROCBLEWDFZLE-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H](F)CN1)C1CCC([NH3+])CC1 ZINC000883417470 591652590 /nfs/dbraw/zinc/65/25/90/591652590.db2.gz ARUOYMCZANYORE-VOBJUBJWSA-N 2 1 229.343 0.888 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1CCC([NH3+])CC1 ZINC000883417470 591652594 /nfs/dbraw/zinc/65/25/94/591652594.db2.gz ARUOYMCZANYORE-VOBJUBJWSA-N 2 1 229.343 0.888 20 0 BCADMP c1ncc2c(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000883414613 591652686 /nfs/dbraw/zinc/65/26/86/591652686.db2.gz BNAOMUWADYWHET-UHFFFAOYSA-N 2 1 232.331 0.834 20 0 BCADMP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C[N@H+]1C ZINC000883430997 591661810 /nfs/dbraw/zinc/66/18/10/591661810.db2.gz JXXPLYBAZPQSDB-RHYQMDGZSA-N 2 1 229.343 0.711 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@H]21 ZINC000883438804 591667827 /nfs/dbraw/zinc/66/78/27/591667827.db2.gz CQDNSCUFRZWECS-MROQNXINSA-N 2 1 241.354 0.712 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441093 591668990 /nfs/dbraw/zinc/66/89/90/591668990.db2.gz HDMHIETTZDRYLX-CYDGBPFRSA-N 2 1 241.354 0.855 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CF)C1 ZINC000883447535 591670536 /nfs/dbraw/zinc/67/05/36/591670536.db2.gz DZHBCSYFOHKUCR-VHSXEESVSA-N 2 1 204.289 0.248 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CF)C1 ZINC000883447053 591670895 /nfs/dbraw/zinc/67/08/95/591670895.db2.gz RNTZUQUGSMQYEO-MNOVXSKESA-N 2 1 218.316 0.638 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883462652 591673904 /nfs/dbraw/zinc/67/39/04/591673904.db2.gz WTCBDPKYRAASMJ-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883462652 591673905 /nfs/dbraw/zinc/67/39/05/591673905.db2.gz WTCBDPKYRAASMJ-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)[C@H]12 ZINC000883462392 591674383 /nfs/dbraw/zinc/67/43/83/591674383.db2.gz PYOJORLLDNQZKJ-SRVKXCTJSA-N 2 1 237.347 0.196 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)[C@H]12 ZINC000883462392 591674385 /nfs/dbraw/zinc/67/43/85/591674385.db2.gz PYOJORLLDNQZKJ-SRVKXCTJSA-N 2 1 237.347 0.196 20 0 BCADMP [NH3+]Cc1ocnc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017664 591800307 /nfs/dbraw/zinc/80/03/07/591800307.db2.gz BVDAJTMPUJPCBL-QMMMGPOBSA-N 2 1 238.291 0.005 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000884192896 591870887 /nfs/dbraw/zinc/87/08/87/591870887.db2.gz QJNWSQPSZMRYRF-NEPJUHHUSA-N 2 1 241.379 0.688 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357413 591911416 /nfs/dbraw/zinc/91/14/16/591911416.db2.gz XTFOVFRROTZUBN-GMTAPVOTSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC[N@H+]1C ZINC000884361707 591914496 /nfs/dbraw/zinc/91/44/96/591914496.db2.gz XJKFJQOFRANMFX-ZNSHCXBVSA-N 2 1 239.363 0.569 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363927 591916749 /nfs/dbraw/zinc/91/67/49/591916749.db2.gz KXUNVXXTTKMZAT-VHSXEESVSA-N 2 1 236.319 0.434 20 0 BCADMP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000137383753 592176026 /nfs/dbraw/zinc/17/60/26/592176026.db2.gz SZDVZKMMXRMNKV-PWSUYJOCSA-N 2 1 237.347 0.467 20 0 BCADMP C([NH+]1C[C@@H]2C[C@@H]2C1)C1(C[N@H+]2C[C@@H]3C[C@@H]3C2)COC1 ZINC000886346359 592213411 /nfs/dbraw/zinc/21/34/11/592213411.db2.gz GTGGELOZNHMNSP-KPWCQOOUSA-N 2 1 248.370 0.906 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220365995 592307993 /nfs/dbraw/zinc/30/79/93/592307993.db2.gz BWVILGDTDLKLMI-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CCO1 ZINC000886829739 592350363 /nfs/dbraw/zinc/35/03/63/592350363.db2.gz GNABNWGBYGJPBG-CYDGBPFRSA-N 2 1 240.347 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CCO1 ZINC000886829739 592350367 /nfs/dbraw/zinc/35/03/67/592350367.db2.gz GNABNWGBYGJPBG-CYDGBPFRSA-N 2 1 240.347 0.461 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827131 592351259 /nfs/dbraw/zinc/35/12/59/592351259.db2.gz FHGVDZOGHXMAHV-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827131 592351264 /nfs/dbraw/zinc/35/12/64/592351264.db2.gz FHGVDZOGHXMAHV-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000886841888 592363005 /nfs/dbraw/zinc/36/30/05/592363005.db2.gz ZKBDVKWXQLZVHZ-RQJABVFESA-N 2 1 236.359 0.954 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC000886841536 592363447 /nfs/dbraw/zinc/36/34/47/592363447.db2.gz OBWFBKCDSINXHG-CMOBGSAGSA-N 2 1 222.332 0.836 20 0 BCADMP CCN(CC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000886848503 592366211 /nfs/dbraw/zinc/36/62/11/592366211.db2.gz FTNOOXGLWMMEQM-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP CCN(CC[N@H+]1CCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000886848503 592366216 /nfs/dbraw/zinc/36/62/16/592366216.db2.gz FTNOOXGLWMMEQM-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872006 592376540 /nfs/dbraw/zinc/37/65/40/592376540.db2.gz HCUSHSFDNTZUBV-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872006 592376536 /nfs/dbraw/zinc/37/65/36/592376536.db2.gz HCUSHSFDNTZUBV-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874312 592377317 /nfs/dbraw/zinc/37/73/17/592377317.db2.gz LKBGHJALSHZIMU-AAEUAGOBSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874312 592377322 /nfs/dbraw/zinc/37/73/22/592377322.db2.gz LKBGHJALSHZIMU-AAEUAGOBSA-N 2 1 239.363 0.716 20 0 BCADMP O=C1NCC[C@@H]1[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874040 592378341 /nfs/dbraw/zinc/37/83/41/592378341.db2.gz FDHXWBYKVNIGKO-WCQYABFASA-N 2 1 237.347 0.341 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874040 592378347 /nfs/dbraw/zinc/37/83/47/592378347.db2.gz FDHXWBYKVNIGKO-WCQYABFASA-N 2 1 237.347 0.341 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886881129 592380550 /nfs/dbraw/zinc/38/05/50/592380550.db2.gz RFUKDSNABFUXHK-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886881129 592380553 /nfs/dbraw/zinc/38/05/53/592380553.db2.gz RFUKDSNABFUXHK-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP COC[C@@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCOC1 ZINC000886915831 592395704 /nfs/dbraw/zinc/39/57/04/592395704.db2.gz KQZRLEQNRUASHC-CMPLNLGQSA-N 2 1 239.319 0.941 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349863 592485341 /nfs/dbraw/zinc/48/53/41/592485341.db2.gz MCIMPHJRKMNUAN-ZETCQYMHSA-N 2 1 220.267 0.317 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])NCC(F)F ZINC000887352837 592486134 /nfs/dbraw/zinc/48/61/34/592486134.db2.gz PZGLAAVPKLFLQB-UHFFFAOYSA-N 2 1 231.250 0.571 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353827 592486998 /nfs/dbraw/zinc/48/69/98/592486998.db2.gz DSIVEEYGKIWDIW-QMMMGPOBSA-N 2 1 234.294 0.707 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCC ZINC000223500630 592533664 /nfs/dbraw/zinc/53/36/64/592533664.db2.gz CVPRWHAAOKEXLL-UHFFFAOYSA-N 2 1 200.330 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000890067836 592676566 /nfs/dbraw/zinc/67/65/66/592676566.db2.gz XGVAILIGCQJHDP-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925703419 634379186 /nfs/dbraw/zinc/37/91/86/634379186.db2.gz UMRYDJPANUXSCQ-KXUCPTDWSA-N 2 1 223.320 0.125 20 0 BCADMP C(CN[C@@H]1C[NH2+]CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705162 634386287 /nfs/dbraw/zinc/38/62/87/634386287.db2.gz IBNNACODVYJZOG-NWDGAFQWSA-N 2 1 227.352 0.097 20 0 BCADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)[C@H]1CCOC1 ZINC000925710897 634409548 /nfs/dbraw/zinc/40/95/48/634409548.db2.gz CHLSHCNEEIHVDD-TUAOUCFPSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000082478270 634423099 /nfs/dbraw/zinc/42/30/99/634423099.db2.gz XLUOOJCSUMSVQS-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]C ZINC000236711631 634459152 /nfs/dbraw/zinc/45/91/52/634459152.db2.gz AMULUAAUVHSVKJ-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662851896 634507862 /nfs/dbraw/zinc/50/78/62/634507862.db2.gz FERQTJIRJXQWOS-OUAUKWLOSA-N 2 1 239.363 0.713 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125556208 634547650 /nfs/dbraw/zinc/54/76/50/634547650.db2.gz DGTUQKOEUJWAOW-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125574191 634565937 /nfs/dbraw/zinc/56/59/37/634565937.db2.gz KYDKPLFQBHZYEK-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000226084389 635423200 /nfs/dbraw/zinc/42/32/00/635423200.db2.gz UIRCBQGKTJRDNF-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227766154 635453334 /nfs/dbraw/zinc/45/33/34/635453334.db2.gz QXLOUGGVZAWNRX-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250458370 635475163 /nfs/dbraw/zinc/47/51/63/635475163.db2.gz JWHBAOCGQNSJIU-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])CS(C)(=O)=O ZINC000925832916 635475344 /nfs/dbraw/zinc/47/53/44/635475344.db2.gz QSCIKKIJKKBYOM-ZJUUUORDSA-N 2 1 248.392 0.527 20 0 BCADMP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000925876090 635599600 /nfs/dbraw/zinc/59/96/00/635599600.db2.gz XGTVINFNRHRBNJ-QJPTWQEYSA-N 2 1 228.336 0.522 20 0 BCADMP C[N@H+](CCSC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000308664014 631351278 /nfs/dbraw/zinc/35/12/78/631351278.db2.gz RKTOYKLYRWFVPE-LURJTMIESA-N 2 1 232.271 0.491 20 0 BCADMP C[N@@H+](CCSC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000308664014 631351281 /nfs/dbraw/zinc/35/12/81/631351281.db2.gz RKTOYKLYRWFVPE-LURJTMIESA-N 2 1 232.271 0.491 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736563 631499140 /nfs/dbraw/zinc/49/91/40/631499140.db2.gz WPKRZSUYTYKTIX-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736563 631499144 /nfs/dbraw/zinc/49/91/44/631499144.db2.gz WPKRZSUYTYKTIX-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736563 631499148 /nfs/dbraw/zinc/49/91/48/631499148.db2.gz WPKRZSUYTYKTIX-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@]2(C)C1 ZINC000933736563 631499151 /nfs/dbraw/zinc/49/91/51/631499151.db2.gz WPKRZSUYTYKTIX-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]1CO ZINC000934016594 631610787 /nfs/dbraw/zinc/61/07/87/631610787.db2.gz IKOIWDXJUMFZCM-NSHDSACASA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]1CO ZINC000934016594 631610791 /nfs/dbraw/zinc/61/07/91/631610791.db2.gz IKOIWDXJUMFZCM-NSHDSACASA-N 2 1 209.293 0.648 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000309014275 631799430 /nfs/dbraw/zinc/79/94/30/631799430.db2.gz QJBKDSMILPEOKH-SNVBAGLBSA-N 2 1 208.309 0.623 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC000309032075 631806749 /nfs/dbraw/zinc/80/67/49/631806749.db2.gz FKHDKYPKKWKDEN-NSHDSACASA-N 2 1 212.337 0.831 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309106580 631886911 /nfs/dbraw/zinc/88/69/11/631886911.db2.gz MOZYBRCQWHTPNC-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC2=[NH+]CCN2C)C1 ZINC000849004981 631904925 /nfs/dbraw/zinc/90/49/25/631904925.db2.gz NDRZDJUNCGARIZ-JTQLQIEISA-N 2 1 210.325 0.219 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000309215908 631969954 /nfs/dbraw/zinc/96/99/54/631969954.db2.gz FOBSWSNLPDNXNQ-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309316684 631991718 /nfs/dbraw/zinc/99/17/18/631991718.db2.gz YWTQWQHGPPXNGH-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP c1cncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000077403801 632011069 /nfs/dbraw/zinc/01/10/69/632011069.db2.gz KFXFLVRLHLCZMN-CQSZACIVSA-N 2 1 246.358 0.561 20 0 BCADMP CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000052019461 632043970 /nfs/dbraw/zinc/04/39/70/632043970.db2.gz MPKDQDMIKPMFGC-SNVBAGLBSA-N 2 1 212.341 0.995 20 0 BCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000251775551 635706861 /nfs/dbraw/zinc/70/68/61/635706861.db2.gz MQHSRVWNDYAFRS-MNOVXSKESA-N 2 1 248.392 0.338 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000309470711 632101266 /nfs/dbraw/zinc/10/12/66/632101266.db2.gz UDWBYSOZQYIEPB-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309496833 632416894 /nfs/dbraw/zinc/41/68/94/632416894.db2.gz ZFBMCEONZGYGLS-GRYCIOLGSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+]CCCCCC(=O)NCC(F)(F)C[NH3+] ZINC000309545883 632482911 /nfs/dbraw/zinc/48/29/11/632482911.db2.gz IEEWWQLGXZZNCR-UHFFFAOYSA-N 2 1 223.267 0.216 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000252848287 632563550 /nfs/dbraw/zinc/56/35/50/632563550.db2.gz GLJOZNYXFRAZIE-BJDJZHNGSA-N 2 1 237.347 0.276 20 0 BCADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924526184 632680560 /nfs/dbraw/zinc/68/05/60/632680560.db2.gz IQEGSXVZCUBMNM-JTQLQIEISA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1O ZINC000310035218 632696735 /nfs/dbraw/zinc/69/67/35/632696735.db2.gz OJDIMDHSVAMBGI-FRRDWIJNSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1O ZINC000310035218 632696739 /nfs/dbraw/zinc/69/67/39/632696739.db2.gz OJDIMDHSVAMBGI-FRRDWIJNSA-N 2 1 242.363 0.146 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310135446 632702518 /nfs/dbraw/zinc/70/25/18/632702518.db2.gz BJXDTNWMZGYWDA-RYUDHWBXSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CC[NH+](C)CC1 ZINC000310338238 632724370 /nfs/dbraw/zinc/72/43/70/632724370.db2.gz LVWWWHMMRFCYDK-PWSUYJOCSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310504161 632751617 /nfs/dbraw/zinc/75/16/17/632751617.db2.gz ITEDKQZWZCANMU-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310504161 632751621 /nfs/dbraw/zinc/75/16/21/632751621.db2.gz ITEDKQZWZCANMU-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000310504161 632751625 /nfs/dbraw/zinc/75/16/25/632751625.db2.gz ITEDKQZWZCANMU-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000310504161 632751629 /nfs/dbraw/zinc/75/16/29/632751629.db2.gz ITEDKQZWZCANMU-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000052043019 632782386 /nfs/dbraw/zinc/78/23/86/632782386.db2.gz DSUBORKINNPBQY-MRVPVSSYSA-N 2 1 200.330 0.849 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000052042184 632780612 /nfs/dbraw/zinc/78/06/12/632780612.db2.gz VRARBNTYOAHMSX-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309241983 632836550 /nfs/dbraw/zinc/83/65/50/632836550.db2.gz LYMXEBFQGQSKDA-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309241983 632836552 /nfs/dbraw/zinc/83/65/52/632836552.db2.gz LYMXEBFQGQSKDA-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP OC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000107153141 635828802 /nfs/dbraw/zinc/82/88/02/635828802.db2.gz RRYDFGZJFHNTSZ-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)C[C@@H]2C1 ZINC000309269397 632869233 /nfs/dbraw/zinc/86/92/33/632869233.db2.gz CVDJWXFQNRWWJB-FRRDWIJNSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)C[C@@H]2C1 ZINC000309269397 632869238 /nfs/dbraw/zinc/86/92/38/632869238.db2.gz CVDJWXFQNRWWJB-FRRDWIJNSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)C[C@@H]2C1 ZINC000309269397 632869240 /nfs/dbraw/zinc/86/92/40/632869240.db2.gz CVDJWXFQNRWWJB-FRRDWIJNSA-N 2 1 224.348 0.641 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430270 635912652 /nfs/dbraw/zinc/91/26/52/635912652.db2.gz VNGARZGUWMLPED-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430270 635912656 /nfs/dbraw/zinc/91/26/56/635912656.db2.gz VNGARZGUWMLPED-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430270 635912661 /nfs/dbraw/zinc/91/26/61/635912661.db2.gz VNGARZGUWMLPED-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430270 635912665 /nfs/dbraw/zinc/91/26/65/635912665.db2.gz VNGARZGUWMLPED-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@H+]1C ZINC000928434466 635929114 /nfs/dbraw/zinc/92/91/14/635929114.db2.gz DWFUJWSHWHEYLC-KOLCDFICSA-N 2 1 236.319 0.171 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[N@H+]1C ZINC000158967672 633230966 /nfs/dbraw/zinc/23/09/66/633230966.db2.gz XSBIPDHHDJXQSB-NXEZZACHSA-N 2 1 248.330 0.876 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250005059 636029057 /nfs/dbraw/zinc/02/90/57/636029057.db2.gz SORSXPKQUKCVLV-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250005059 636029060 /nfs/dbraw/zinc/02/90/60/636029060.db2.gz SORSXPKQUKCVLV-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559764 636102908 /nfs/dbraw/zinc/10/29/08/636102908.db2.gz NQJRACWMDNDMRA-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559764 636102911 /nfs/dbraw/zinc/10/29/11/636102911.db2.gz NQJRACWMDNDMRA-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[NH+](C)CCCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328468590 633767713 /nfs/dbraw/zinc/76/77/13/633767713.db2.gz YMBMEPOQIZCRPQ-MEBFFEOJSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@H](CCO)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309811655 633768741 /nfs/dbraw/zinc/76/87/41/633768741.db2.gz ZGQKQSJMZWTNPQ-LLVKDONJSA-N 2 1 230.352 0.194 20 0 BCADMP Cn1nccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328463850 633769011 /nfs/dbraw/zinc/76/90/11/633769011.db2.gz WEZYKFSGEZXWOW-GOCOPAARSA-N 2 1 246.358 0.549 20 0 BCADMP COC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328553938 633776122 /nfs/dbraw/zinc/77/61/22/633776122.db2.gz XFKRZWIEGRRJBE-DCHHYWPUSA-N 2 1 210.321 0.607 20 0 BCADMP COC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328553940 633776835 /nfs/dbraw/zinc/77/68/35/633776835.db2.gz XFKRZWIEGRRJBE-NEJQNHLGSA-N 2 1 210.321 0.607 20 0 BCADMP Cn1cnc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000309973371 634003018 /nfs/dbraw/zinc/00/30/18/634003018.db2.gz QWDBDEVXVYSMFM-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP Cn1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000309973371 634003025 /nfs/dbraw/zinc/00/30/25/634003025.db2.gz QWDBDEVXVYSMFM-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983011 634025839 /nfs/dbraw/zinc/02/58/39/634025839.db2.gz NLWVWGXHLGZBCF-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983012 634026665 /nfs/dbraw/zinc/02/66/65/634026665.db2.gz NLWVWGXHLGZBCF-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925586608 634092457 /nfs/dbraw/zinc/09/24/57/634092457.db2.gz ZYAYIGXYNYHEFX-JQWIXIFHSA-N 2 1 234.347 0.997 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925586612 634093144 /nfs/dbraw/zinc/09/31/44/634093144.db2.gz ZYAYIGXYNYHEFX-ZYHUDNBSSA-N 2 1 234.347 0.997 20 0 BCADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925613438 634152433 /nfs/dbraw/zinc/15/24/33/634152433.db2.gz RBIXMVCCFWZBBQ-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614608 634153470 /nfs/dbraw/zinc/15/34/70/634153470.db2.gz YZZCIISBADPQRC-NWDGAFQWSA-N 2 1 242.363 0.648 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614610 634154587 /nfs/dbraw/zinc/15/45/87/634154587.db2.gz YZZCIISBADPQRC-VXGBXAGGSA-N 2 1 242.363 0.648 20 0 BCADMP Cn1ncc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925677409 634270714 /nfs/dbraw/zinc/27/07/14/634270714.db2.gz PJWCRUROSVIPDV-LLVKDONJSA-N 2 1 237.351 0.478 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275819 634299483 /nfs/dbraw/zinc/29/94/83/634299483.db2.gz ACFTWZMTMYKKET-OBPIAQAESA-N 2 1 224.348 0.903 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275819 634299485 /nfs/dbraw/zinc/29/94/85/634299485.db2.gz ACFTWZMTMYKKET-OBPIAQAESA-N 2 1 224.348 0.903 20 0 BCADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694338 634336797 /nfs/dbraw/zinc/33/67/97/634336797.db2.gz SZGFGKKZTBIOKH-RYUDHWBXSA-N 2 1 223.364 0.846 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[NH2+]C1CC1 ZINC000925694752 634337775 /nfs/dbraw/zinc/33/77/75/634337775.db2.gz SPLIUZAOFDWADQ-UYVFGJEYSA-N 3 1 223.364 0.844 20 0 BCADMP COCCNCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698584 634365432 /nfs/dbraw/zinc/36/54/32/634365432.db2.gz KUPVMDDFRJDKCX-VXGBXAGGSA-N 2 1 243.395 0.718 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925701822 634376516 /nfs/dbraw/zinc/37/65/16/634376516.db2.gz GIJFQRDGHMGUKI-AXFHLTTASA-N 2 1 237.347 0.515 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258430172 635149946 /nfs/dbraw/zinc/14/99/46/635149946.db2.gz GZQNVTTWNSZKQA-UONOGXRCSA-N 2 1 234.343 0.871 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925761977 635161673 /nfs/dbraw/zinc/16/16/73/635161673.db2.gz FHNMBXOHDFHQLQ-HBNTYKKESA-N 2 1 246.376 0.423 20 0 BCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391715 635216613 /nfs/dbraw/zinc/21/66/13/635216613.db2.gz RUAFOWYGHYJGRD-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391715 635216618 /nfs/dbraw/zinc/21/66/18/635216618.db2.gz RUAFOWYGHYJGRD-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391715 635216624 /nfs/dbraw/zinc/21/66/24/635216624.db2.gz RUAFOWYGHYJGRD-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000258920496 635224563 /nfs/dbraw/zinc/22/45/63/635224563.db2.gz ISYFHGRSIWTMTH-LBPRGKRZSA-N 2 1 226.295 0.620 20 0 BCADMP C[N@@H+](CCc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000258920494 635226258 /nfs/dbraw/zinc/22/62/58/635226258.db2.gz ISYFHGRSIWTMTH-GFCCVEGCSA-N 2 1 226.295 0.620 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925791859 635320935 /nfs/dbraw/zinc/32/09/35/635320935.db2.gz SQEDZWAODBGSGV-NDBYEHHHSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925791859 635320944 /nfs/dbraw/zinc/32/09/44/635320944.db2.gz SQEDZWAODBGSGV-NDBYEHHHSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925791859 635320951 /nfs/dbraw/zinc/32/09/51/635320951.db2.gz SQEDZWAODBGSGV-NDBYEHHHSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000925791859 635320960 /nfs/dbraw/zinc/32/09/60/635320960.db2.gz SQEDZWAODBGSGV-NDBYEHHHSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925792298 635324677 /nfs/dbraw/zinc/32/46/77/635324677.db2.gz FHCDQTKHVAGGAQ-XQHKEYJVSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925792295 635324862 /nfs/dbraw/zinc/32/48/62/635324862.db2.gz FHCDQTKHVAGGAQ-FDYHWXHSSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925796995 635334545 /nfs/dbraw/zinc/33/45/45/635334545.db2.gz SQOCUMWWAYAILN-LPWJVIDDSA-N 3 1 225.380 0.820 20 0 BCADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CN3C[C@@H]1CCC3)C2 ZINC000925812521 635369782 /nfs/dbraw/zinc/36/97/82/635369782.db2.gz IMFRXQOXURAYIX-YNEHKIRRSA-N 2 1 246.358 0.882 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814647 635377678 /nfs/dbraw/zinc/37/76/78/635377678.db2.gz NTNKOUUQTFERON-GMTAPVOTSA-N 2 1 221.304 0.822 20 0 BCADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000928442152 635945793 /nfs/dbraw/zinc/94/57/93/635945793.db2.gz QPIRAVOJEHPVAN-WDEREUQCSA-N 2 1 239.363 0.680 20 0 BCADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928560186 636103791 /nfs/dbraw/zinc/10/37/91/636103791.db2.gz PVUIEULDHVUEQE-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154695 636574033 /nfs/dbraw/zinc/57/40/33/636574033.db2.gz WHDKSXOFYGADKI-QNWHQSFQSA-N 2 1 224.348 0.953 20 0 BCADMP C[NH+](C)C1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000897669326 636833846 /nfs/dbraw/zinc/83/38/46/636833846.db2.gz QVZCHROKOVDTSL-VOMCLLRMSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+](C)C1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000897669325 636834099 /nfs/dbraw/zinc/83/40/99/636834099.db2.gz QVZCHROKOVDTSL-UNXYVOJBSA-N 2 1 239.363 0.537 20 0 BCADMP NOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902419632 637302337 /nfs/dbraw/zinc/30/23/37/637302337.db2.gz RZXKMBWWZLTMBI-WDEREUQCSA-N 2 1 213.325 0.483 20 0 BCADMP C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903463732 637365507 /nfs/dbraw/zinc/36/55/07/637365507.db2.gz KTBXKARQRXLCIF-OLZOCXBDSA-N 2 1 239.363 0.145 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1N ZINC000903559639 637369380 /nfs/dbraw/zinc/36/93/80/637369380.db2.gz AIQGTDUUIXIASV-OUAUKWLOSA-N 2 1 211.353 0.783 20 0 BCADMP CC1(C)CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1[NH3+] ZINC000903559639 637369385 /nfs/dbraw/zinc/36/93/85/637369385.db2.gz AIQGTDUUIXIASV-OUAUKWLOSA-N 2 1 211.353 0.783 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726202 637378870 /nfs/dbraw/zinc/37/88/70/637378870.db2.gz KMPFCEJQRFIUOK-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722846 637379732 /nfs/dbraw/zinc/37/97/32/637379732.db2.gz DTQCJXYZFFMMJO-LBPRGKRZSA-N 2 1 242.363 0.723 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000903788864 637384515 /nfs/dbraw/zinc/38/45/15/637384515.db2.gz RTFQRLXYJABESV-QWRGUYRKSA-N 2 1 237.351 0.715 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]([NH3+])CC(F)F ZINC000904469926 637422664 /nfs/dbraw/zinc/42/26/64/637422664.db2.gz REOXKQSUKZLOGF-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP CC[N@H+](CCC(=O)NC)C[C@H]([NH3+])CC(F)F ZINC000904469926 637422661 /nfs/dbraw/zinc/42/26/61/637422661.db2.gz REOXKQSUKZLOGF-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP [NH3+]CC1(c2nc(C3([NH3+])CC3)no2)CCCC1 ZINC000905314417 637741146 /nfs/dbraw/zinc/74/11/46/637741146.db2.gz JBCLYQRZZJPUOY-UHFFFAOYSA-N 2 1 222.292 0.788 20 0 BCADMP [NH3+]C1(c2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000905319241 637745450 /nfs/dbraw/zinc/74/54/50/637745450.db2.gz XOGFIQZRGKBCCP-UHFFFAOYSA-N 2 1 222.292 0.560 20 0 BCADMP [NH3+]C1(c2noc(CCC3CC[NH2+]CC3)n2)CC1 ZINC000905324737 637752541 /nfs/dbraw/zinc/75/25/41/637752541.db2.gz PPAXLPJYWVNIRB-UHFFFAOYSA-N 2 1 236.319 0.950 20 0 BCADMP CCC[C@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905585714 637855986 /nfs/dbraw/zinc/85/59/86/637855986.db2.gz AITSJCNQWVXHOD-STQMWFEESA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905585714 637855988 /nfs/dbraw/zinc/85/59/88/637855988.db2.gz AITSJCNQWVXHOD-STQMWFEESA-N 2 1 244.379 0.582 20 0 BCADMP C[N@@H+](C[C@@H](O)CNC/C=C/Cl)C1CC1 ZINC000905707430 637890318 /nfs/dbraw/zinc/89/03/18/637890318.db2.gz JLMMIIFUGDVAPG-FWYAXHSGSA-N 2 1 218.728 0.784 20 0 BCADMP C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350595 638661359 /nfs/dbraw/zinc/66/13/59/638661359.db2.gz ZRBIDHMRCYRRSK-NWDGAFQWSA-N 2 1 249.358 0.245 20 0 BCADMP C[C@@H](O)[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310822 639697300 /nfs/dbraw/zinc/69/73/00/639697300.db2.gz PWRLKTDREJZLNV-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310822 639697307 /nfs/dbraw/zinc/69/73/07/639697307.db2.gz PWRLKTDREJZLNV-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC000911648255 639704841 /nfs/dbraw/zinc/70/48/41/639704841.db2.gz NYIFRXWYMBCBOI-GFCCVEGCSA-N 2 1 249.314 0.175 20 0 BCADMP CC[NH2+]CCCNC(=O)c1cnc(C[NH3+])s1 ZINC000911688931 639729228 /nfs/dbraw/zinc/72/92/28/639729228.db2.gz VHRMIDKXPDTTAP-UHFFFAOYSA-N 2 1 242.348 0.331 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000911739743 639766394 /nfs/dbraw/zinc/76/63/94/639766394.db2.gz CQIVUQVRNWAMTJ-IUCAKERBSA-N 2 1 224.308 0.442 20 0 BCADMP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[NH2+]2)s1 ZINC000911756016 639770585 /nfs/dbraw/zinc/77/05/85/639770585.db2.gz WIDSJIPEMBPNCN-ZETCQYMHSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753002 639780824 /nfs/dbraw/zinc/78/08/24/639780824.db2.gz WUOSPKWFRSFLMZ-GFCCVEGCSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH3+])c1nc(C(=O)NC(C)(C)C[NH3+])cs1 ZINC000911762944 639789520 /nfs/dbraw/zinc/78/95/20/639789520.db2.gz SSJOZOWZWHXSQN-ZCFIWIBFSA-N 2 1 242.348 0.630 20 0 BCADMP [NH3+][C@H](C(=O)NCC[NH+]1CCCC1)c1ccccc1 ZINC000035663360 639811575 /nfs/dbraw/zinc/81/15/75/639811575.db2.gz JEYODPKCMPMTOM-ZDUSSCGKSA-N 2 1 247.342 0.898 20 0 BCADMP Cc1cc(NC(=O)NC[C@H]2CCN2C)c(C)cn1 ZINC000930628076 639830393 /nfs/dbraw/zinc/83/03/93/639830393.db2.gz XGJWEZGXFNZJDR-LLVKDONJSA-N 2 1 248.330 0.946 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911853273 639860156 /nfs/dbraw/zinc/86/01/56/639860156.db2.gz YYKKXPKFNNLFRI-VXGBXAGGSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H](CO)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902974 639979873 /nfs/dbraw/zinc/97/98/73/639979873.db2.gz FIDRRUVVNBLLFZ-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H](CO)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902974 639979881 /nfs/dbraw/zinc/97/98/81/639979881.db2.gz FIDRRUVVNBLLFZ-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912321935 640030016 /nfs/dbraw/zinc/03/00/16/640030016.db2.gz MSGRKXHEEATMMO-UHFFFAOYSA-N 2 1 248.330 0.498 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931067585 640056019 /nfs/dbraw/zinc/05/60/19/640056019.db2.gz QTVNLFVLRMVELC-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931067585 640056027 /nfs/dbraw/zinc/05/60/27/640056027.db2.gz QTVNLFVLRMVELC-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](CO)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076588 640058874 /nfs/dbraw/zinc/05/88/74/640058874.db2.gz UHAWBRHYIXTFIM-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CN(C)C(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350786 640166610 /nfs/dbraw/zinc/16/66/10/640166610.db2.gz YECXDLYPLLEUDA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356246 640170346 /nfs/dbraw/zinc/17/03/46/640170346.db2.gz TWQAEUHLVHMIQM-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430426 640199325 /nfs/dbraw/zinc/19/93/25/640199325.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 1 240.347 0.822 20 0 BCADMP CC[C@@H](C(=O)OC)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430426 640199316 /nfs/dbraw/zinc/19/93/16/640199316.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 1 240.347 0.822 20 0 BCADMP CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430426 640199319 /nfs/dbraw/zinc/19/93/19/640199319.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 1 240.347 0.822 20 0 BCADMP CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430426 640199326 /nfs/dbraw/zinc/19/93/26/640199326.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 1 240.347 0.822 20 0 BCADMP CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430426 640199333 /nfs/dbraw/zinc/19/93/33/640199333.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 1 240.347 0.822 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)C[C@@H]2C1 ZINC000931436276 640202571 /nfs/dbraw/zinc/20/25/71/640202571.db2.gz GKGPZQNHHYHVRI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]c3)C[C@@H]2C1 ZINC000931436276 640202576 /nfs/dbraw/zinc/20/25/76/640202576.db2.gz GKGPZQNHHYHVRI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@@H]2C1 ZINC000931436276 640202579 /nfs/dbraw/zinc/20/25/79/640202579.db2.gz GKGPZQNHHYHVRI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436037 640202863 /nfs/dbraw/zinc/20/28/63/640202863.db2.gz JZBDYXNRHJQAQH-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436037 640202872 /nfs/dbraw/zinc/20/28/72/640202872.db2.gz JZBDYXNRHJQAQH-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436037 640202877 /nfs/dbraw/zinc/20/28/77/640202877.db2.gz JZBDYXNRHJQAQH-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP C[C@@H](CO)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438293 640202928 /nfs/dbraw/zinc/20/29/28/640202928.db2.gz JJLZHANMASVHCV-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438293 640202935 /nfs/dbraw/zinc/20/29/35/640202935.db2.gz JJLZHANMASVHCV-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438293 640202940 /nfs/dbraw/zinc/20/29/40/640202940.db2.gz JJLZHANMASVHCV-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC000931439712 640205331 /nfs/dbraw/zinc/20/53/31/640205331.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC000931439712 640205336 /nfs/dbraw/zinc/20/53/36/640205336.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC000931439712 640205340 /nfs/dbraw/zinc/20/53/40/640205340.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC000931439712 640205349 /nfs/dbraw/zinc/20/53/49/640205349.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC000931439712 640205356 /nfs/dbraw/zinc/20/53/56/640205356.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC000931439712 640205368 /nfs/dbraw/zinc/20/53/68/640205368.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC000931439712 640205372 /nfs/dbraw/zinc/20/53/72/640205372.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 1 235.335 0.231 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917662 640243514 /nfs/dbraw/zinc/24/35/14/640243514.db2.gz LEIWJVAMEUETQD-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP COCC(COC)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931548312 640266827 /nfs/dbraw/zinc/26/68/27/640266827.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931548312 640266844 /nfs/dbraw/zinc/26/68/44/640266844.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931548312 640266847 /nfs/dbraw/zinc/26/68/47/640266847.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 2 1 242.363 0.674 20 0 BCADMP CCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726306 640338642 /nfs/dbraw/zinc/33/86/42/640338642.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=O)CCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726306 640338646 /nfs/dbraw/zinc/33/86/46/640338646.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=O)CCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726306 640338649 /nfs/dbraw/zinc/33/86/49/640338649.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044651689 640448784 /nfs/dbraw/zinc/44/87/84/640448784.db2.gz MNASCCLDJCHJMI-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224902977 640647802 /nfs/dbraw/zinc/64/78/02/640647802.db2.gz RFVZFHMYSPLBAE-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP COC[C@@H]1COCC[N@@H+]1CCCn1ccnc1 ZINC000933336154 640706346 /nfs/dbraw/zinc/70/63/46/640706346.db2.gz QZBURUXKJFNRKJ-GFCCVEGCSA-N 2 1 239.319 0.620 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CCCn1ccnc1 ZINC000933336154 640706354 /nfs/dbraw/zinc/70/63/54/640706354.db2.gz QZBURUXKJFNRKJ-GFCCVEGCSA-N 2 1 239.319 0.620 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226417684 640763095 /nfs/dbraw/zinc/76/30/95/640763095.db2.gz WKKRNYSFMUFDQQ-NSHDSACASA-N 2 1 200.326 0.962 20 0 BCADMP [NH3+][C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226417684 640763102 /nfs/dbraw/zinc/76/31/02/640763102.db2.gz WKKRNYSFMUFDQQ-NSHDSACASA-N 2 1 200.326 0.962 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732515 640753911 /nfs/dbraw/zinc/75/39/11/640753911.db2.gz LEPIXRLKVSKWCN-ADEWGFFLSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732515 640753916 /nfs/dbraw/zinc/75/39/16/640753916.db2.gz LEPIXRLKVSKWCN-ADEWGFFLSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732515 640753920 /nfs/dbraw/zinc/75/39/20/640753920.db2.gz LEPIXRLKVSKWCN-ADEWGFFLSA-N 2 1 248.317 0.886 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398994 640760684 /nfs/dbraw/zinc/76/06/84/640760684.db2.gz HHLRZKMYBHUVNT-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCCCO)CCO1 ZINC000226434267 640763759 /nfs/dbraw/zinc/76/37/59/640763759.db2.gz MKPGIOUJPXVFDJ-NEPJUHHUSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000226434267 640763764 /nfs/dbraw/zinc/76/37/64/640763764.db2.gz MKPGIOUJPXVFDJ-NEPJUHHUSA-N 2 1 230.352 0.587 20 0 BCADMP C[NH+](C)CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000167917415 640764252 /nfs/dbraw/zinc/76/42/52/640764252.db2.gz UDGZZMRXWJTSKH-UHFFFAOYSA-N 2 1 237.303 0.524 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677863 640788356 /nfs/dbraw/zinc/78/83/56/640788356.db2.gz AFJPWIFIOYLWDJ-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC000158110226 640806585 /nfs/dbraw/zinc/80/65/85/640806585.db2.gz GQXVTZVLTGISIL-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000168556618 640811013 /nfs/dbraw/zinc/81/10/13/640811013.db2.gz XCRSAKJKRMULPO-RNJXMRFFSA-N 2 1 226.242 0.579 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000168556618 640811017 /nfs/dbraw/zinc/81/10/17/640811017.db2.gz XCRSAKJKRMULPO-RNJXMRFFSA-N 2 1 226.242 0.579 20 0 BCADMP COCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862459 641101412 /nfs/dbraw/zinc/10/14/12/641101412.db2.gz QHMBFNITBKIFCT-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904278 641105973 /nfs/dbraw/zinc/10/59/73/641105973.db2.gz IPXRMUXOPLROKL-LBPRGKRZSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190438 641142231 /nfs/dbraw/zinc/14/22/31/641142231.db2.gz SKFUAKMUYACBNJ-SDDRHHMPSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190438 641142233 /nfs/dbraw/zinc/14/22/33/641142233.db2.gz SKFUAKMUYACBNJ-SDDRHHMPSA-N 2 1 212.337 0.974 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000063179876 641146078 /nfs/dbraw/zinc/14/60/78/641146078.db2.gz NHAJOYNDNATXMF-XCRNYIDWSA-N 2 1 245.754 0.526 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307943013 641197540 /nfs/dbraw/zinc/19/75/40/641197540.db2.gz QVVPKYPKTRISSR-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697791 641405989 /nfs/dbraw/zinc/40/59/89/641405989.db2.gz VDFIXAATMBOGRJ-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913635702 641437053 /nfs/dbraw/zinc/43/70/53/641437053.db2.gz MVBSAQZPVKWNSQ-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@@H]21 ZINC000913760940 641468626 /nfs/dbraw/zinc/46/86/26/641468626.db2.gz UJWGLDYEHQOEMF-JQWIXIFHSA-N 2 1 248.330 0.505 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964557 641528416 /nfs/dbraw/zinc/52/84/16/641528416.db2.gz VRFQPPPAHNNAMD-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964557 641528423 /nfs/dbraw/zinc/52/84/23/641528423.db2.gz VRFQPPPAHNNAMD-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130233094 641596829 /nfs/dbraw/zinc/59/68/29/641596829.db2.gz FQXWNDKTBQXVJR-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833658 641614133 /nfs/dbraw/zinc/61/41/33/641614133.db2.gz BHBUPWOXQVLCFX-GHMZBOCLSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315615 641637402 /nfs/dbraw/zinc/63/74/02/641637402.db2.gz WDUNGMYMHYRMIR-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000914315615 641637406 /nfs/dbraw/zinc/63/74/06/641637406.db2.gz WDUNGMYMHYRMIR-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914315615 641637408 /nfs/dbraw/zinc/63/74/08/641637408.db2.gz WDUNGMYMHYRMIR-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000914391400 641658524 /nfs/dbraw/zinc/65/85/24/641658524.db2.gz IHKBVFVXHJBIDT-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000914391400 641658527 /nfs/dbraw/zinc/65/85/27/641658527.db2.gz IHKBVFVXHJBIDT-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914391400 641658531 /nfs/dbraw/zinc/65/85/31/641658531.db2.gz IHKBVFVXHJBIDT-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746680 641724569 /nfs/dbraw/zinc/72/45/69/641724569.db2.gz JJASWJRYSCMDFX-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031385785 642051581 /nfs/dbraw/zinc/05/15/81/642051581.db2.gz OJAFMLJUXLIVBN-LLVKDONJSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031385785 642051582 /nfs/dbraw/zinc/05/15/82/642051582.db2.gz OJAFMLJUXLIVBN-LLVKDONJSA-N 2 1 237.347 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)[C@@H](C)C1 ZINC000930001294 642141594 /nfs/dbraw/zinc/14/15/94/642141594.db2.gz TWYLNFHRMNJHSV-RNJOBUHISA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)O)[C@@H](C)C1 ZINC000930001294 642141599 /nfs/dbraw/zinc/14/15/99/642141599.db2.gz TWYLNFHRMNJHSV-RNJOBUHISA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)O)[C@@H](C)C1 ZINC000930001294 642141613 /nfs/dbraw/zinc/14/16/13/642141613.db2.gz TWYLNFHRMNJHSV-RNJOBUHISA-N 2 1 244.379 0.390 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000891403535 642483686 /nfs/dbraw/zinc/48/36/86/642483686.db2.gz SFVKWVMZGDKEIH-GMTAPVOTSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000891403538 642483876 /nfs/dbraw/zinc/48/38/76/642483876.db2.gz SFVKWVMZGDKEIH-VWYCJHECSA-N 2 1 240.351 0.212 20 0 BCADMP COCCOCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253230126 642632392 /nfs/dbraw/zinc/63/23/92/642632392.db2.gz LUYVQBQPOCSJOK-NWDGAFQWSA-N 2 1 230.352 0.566 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000233428458 642669124 /nfs/dbraw/zinc/66/91/24/642669124.db2.gz JIKGVJYFLJFTDE-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CNc1cc(N[C@@H](C)C[NH+](C)C)nc[nH+]1 ZINC000130765499 642680286 /nfs/dbraw/zinc/68/02/86/642680286.db2.gz JPNMTHVAVOTZFF-QMMMGPOBSA-N 2 1 209.297 0.880 20 0 BCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000068808945 642802006 /nfs/dbraw/zinc/80/20/06/642802006.db2.gz IXSUYILAFPQEEL-SNVBAGLBSA-N 2 1 241.383 0.145 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068890891 642806272 /nfs/dbraw/zinc/80/62/72/642806272.db2.gz ITYHMKRSPRLNGQ-VWYCJHECSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000068890907 642807745 /nfs/dbraw/zinc/80/77/45/642807745.db2.gz JRAGREYLGPEALV-OUAUKWLOSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000068890907 642807750 /nfs/dbraw/zinc/80/77/50/642807750.db2.gz JRAGREYLGPEALV-OUAUKWLOSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000069727143 642897880 /nfs/dbraw/zinc/89/78/80/642897880.db2.gz XQLUPKBPDXGXOD-GARJFASQSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000069727143 642897889 /nfs/dbraw/zinc/89/78/89/642897889.db2.gz XQLUPKBPDXGXOD-GARJFASQSA-N 2 1 216.325 0.053 20 0 BCADMP Cc1nonc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000069795600 642907424 /nfs/dbraw/zinc/90/74/24/642907424.db2.gz DCTASDNNVZGFMB-MRVPVSSYSA-N 2 1 224.308 0.937 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCF)C2)C1 ZINC001016255051 642950567 /nfs/dbraw/zinc/95/05/67/642950567.db2.gz LJDRUJWMNOUMLO-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001016255051 642950572 /nfs/dbraw/zinc/95/05/72/642950572.db2.gz LJDRUJWMNOUMLO-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001016255051 642950578 /nfs/dbraw/zinc/95/05/78/642950578.db2.gz LJDRUJWMNOUMLO-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCF)C2)C1 ZINC001016255051 642950582 /nfs/dbraw/zinc/95/05/82/642950582.db2.gz LJDRUJWMNOUMLO-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001016255051 642950587 /nfs/dbraw/zinc/95/05/87/642950587.db2.gz LJDRUJWMNOUMLO-QWRGUYRKSA-N 2 1 243.326 0.098 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019383992 643029657 /nfs/dbraw/zinc/02/96/57/643029657.db2.gz RMJFZQFYTMXSOP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020022560 643051917 /nfs/dbraw/zinc/05/19/17/643051917.db2.gz BFQQTCPVKABHKH-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](C/C=C/Cl)CCN1CC[NH2+]CC1 ZINC000070800510 643069946 /nfs/dbraw/zinc/06/99/46/643069946.db2.gz KLVFSGMLOODWAE-NSCUHMNNSA-N 2 1 217.744 0.576 20 0 BCADMP C[N@H+](C/C=C/Cl)CCN1CC[NH2+]CC1 ZINC000070800510 643069955 /nfs/dbraw/zinc/06/99/55/643069955.db2.gz KLVFSGMLOODWAE-NSCUHMNNSA-N 2 1 217.744 0.576 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976969 643148175 /nfs/dbraw/zinc/14/81/75/643148175.db2.gz UQGNMWQSFJVUDE-JQWIXIFHSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245752 643165427 /nfs/dbraw/zinc/16/54/27/643165427.db2.gz OZIHSZJRWMEBFS-ZJUUUORDSA-N 2 1 228.340 0.020 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047889 643338946 /nfs/dbraw/zinc/33/89/46/643338946.db2.gz VBPBPVGRASWCHZ-NEPJUHHUSA-N 2 1 240.347 0.823 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681376 643367331 /nfs/dbraw/zinc/36/73/31/643367331.db2.gz VCZMRQYFJHBRPW-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681376 643367337 /nfs/dbraw/zinc/36/73/37/643367337.db2.gz VCZMRQYFJHBRPW-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415948 643379622 /nfs/dbraw/zinc/37/96/22/643379622.db2.gz MRFTYXKMWQVWNS-QJPTWQEYSA-N 2 1 212.337 0.831 20 0 BCADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021044636 643393742 /nfs/dbraw/zinc/39/37/42/643393742.db2.gz PELUPSZZGRUGHA-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021049918 643395276 /nfs/dbraw/zinc/39/52/76/643395276.db2.gz YLGYBOMCXWYNEE-DCAQKATOSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000733868859 643475965 /nfs/dbraw/zinc/47/59/65/643475965.db2.gz CTIIUWRBHJATQY-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP Cn1ncnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869982 643824411 /nfs/dbraw/zinc/82/44/11/643824411.db2.gz KHHMMAHURXNMNR-UHFFFAOYSA-N 2 1 223.324 0.517 20 0 BCADMP Cn1ncnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869982 643824417 /nfs/dbraw/zinc/82/44/17/643824417.db2.gz KHHMMAHURXNMNR-UHFFFAOYSA-N 2 1 223.324 0.517 20 0 BCADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000085973161 643869894 /nfs/dbraw/zinc/86/98/94/643869894.db2.gz PIVMULYHPFKVKT-JTQLQIEISA-N 2 1 221.304 0.876 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000922160551 643880762 /nfs/dbraw/zinc/88/07/62/643880762.db2.gz VHFSWPMCTCYTFQ-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP CCO[C@H](C[NH2+]CC1(C)COC1)C[NH+](C)C ZINC000922753541 644085797 /nfs/dbraw/zinc/08/57/97/644085797.db2.gz HLMPOOBFVKGHJT-LLVKDONJSA-N 2 1 230.352 0.579 20 0 BCADMP Cc1cc(CC[NH2+]C2CC[NH+](C)CC2)nn1C ZINC000922689127 644069199 /nfs/dbraw/zinc/06/91/99/644069199.db2.gz CIELBNSFUMMVDZ-UHFFFAOYSA-N 2 1 236.363 0.955 20 0 BCADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000922744198 644085667 /nfs/dbraw/zinc/08/56/67/644085667.db2.gz WWFAPAZHVNDOAH-AXFHLTTASA-N 2 1 242.367 0.328 20 0 BCADMP CCO[C@@H](C[NH2+]CC1=CCCOC1)C[NH+](C)C ZINC000922757476 644087910 /nfs/dbraw/zinc/08/79/10/644087910.db2.gz GTXXDMUCPGNLSP-ZDUSSCGKSA-N 2 1 242.363 0.889 20 0 BCADMP CCO[C@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+](C)C ZINC000922758984 644089094 /nfs/dbraw/zinc/08/90/94/644089094.db2.gz ZWFCRVHHDHQHON-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923274275 644306016 /nfs/dbraw/zinc/30/60/16/644306016.db2.gz SBCWDUPJSPOAOF-GFCCVEGCSA-N 2 1 228.336 0.333 20 0 BCADMP CCOCCOCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923280146 644312267 /nfs/dbraw/zinc/31/22/67/644312267.db2.gz GZVCSQIAVJJWFE-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP CCOCCOCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923281031 644315068 /nfs/dbraw/zinc/31/50/68/644315068.db2.gz CMXUSLUOJLAXPV-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282532 644317166 /nfs/dbraw/zinc/31/71/66/644317166.db2.gz VKBZOBVLSCVCOL-QWRGUYRKSA-N 2 1 216.325 0.055 20 0 BCADMP COC[C@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923282972 644317804 /nfs/dbraw/zinc/31/78/04/644317804.db2.gz VYZKZAOZLQENDC-GFCCVEGCSA-N 2 1 228.336 0.210 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288969 644323088 /nfs/dbraw/zinc/32/30/88/644323088.db2.gz NGLNVBOQDKMGBI-IVZWLZJFSA-N 2 1 218.366 0.379 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CCOC(C)C)C1 ZINC000923289182 644324358 /nfs/dbraw/zinc/32/43/58/644324358.db2.gz GPRYPHSLHSJVQL-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290676 644326985 /nfs/dbraw/zinc/32/69/85/644326985.db2.gz IZVHTPRNTNAVHU-SNVBAGLBSA-N 2 1 204.314 0.055 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293113 644328928 /nfs/dbraw/zinc/32/89/28/644328928.db2.gz NLYJYAOCFASQNV-NEPJUHHUSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293113 644328932 /nfs/dbraw/zinc/32/89/32/644328932.db2.gz NLYJYAOCFASQNV-NEPJUHHUSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H](O)COc1ccccc1 ZINC000923292621 644330791 /nfs/dbraw/zinc/33/07/91/644330791.db2.gz XDXAPLNGQBTCQP-LBPRGKRZSA-N 2 1 238.331 0.707 20 0 BCADMP CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923305427 644340530 /nfs/dbraw/zinc/34/05/30/644340530.db2.gz IEOOIZGKTVIJKC-RHYQMDGZSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314163 644341221 /nfs/dbraw/zinc/34/12/21/644341221.db2.gz RBFZAFJFMYNGHT-TUAOUCFPSA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3(C2)CCOCC3)C1 ZINC000923314096 644341582 /nfs/dbraw/zinc/34/15/82/644341582.db2.gz DASAAZPZXYOTRC-SRVKXCTJSA-N 2 1 240.347 0.340 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318109 644343738 /nfs/dbraw/zinc/34/37/38/644343738.db2.gz ICCUPZCCFDTGCP-LLVKDONJSA-N 2 1 242.363 0.722 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000923311055 644346656 /nfs/dbraw/zinc/34/66/56/644346656.db2.gz GDERFQOKEFEXQD-QWRGUYRKSA-N 2 1 226.320 0.086 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923327532 644351594 /nfs/dbraw/zinc/35/15/94/644351594.db2.gz MTIOAEDPHOQWRZ-LLVKDONJSA-N 2 1 228.336 0.069 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333126 644355608 /nfs/dbraw/zinc/35/56/08/644355608.db2.gz UOGKWIUEGZCPHS-KXUCPTDWSA-N 2 1 218.366 0.379 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334676 644357363 /nfs/dbraw/zinc/35/73/63/644357363.db2.gz JCWDTYODXWZRSN-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357532 644363924 /nfs/dbraw/zinc/36/39/24/644363924.db2.gz XTAWLOZGFCJMBK-VXGBXAGGSA-N 3 1 239.363 0.036 20 0 BCADMP C[C@]1(C[NH3+])CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357532 644363930 /nfs/dbraw/zinc/36/39/30/644363930.db2.gz XTAWLOZGFCJMBK-VXGBXAGGSA-N 2 1 239.363 0.036 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923345873 644365508 /nfs/dbraw/zinc/36/55/08/644365508.db2.gz QVMBVYORMHYUJS-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923358361 644368231 /nfs/dbraw/zinc/36/82/31/644368231.db2.gz ZDCPJVOBOSBAML-STQMWFEESA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923358361 644368234 /nfs/dbraw/zinc/36/82/34/644368234.db2.gz ZDCPJVOBOSBAML-STQMWFEESA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923366958 644379476 /nfs/dbraw/zinc/37/94/76/644379476.db2.gz BNKXIHIDXDGJAL-WDEREUQCSA-N 2 1 232.368 0.735 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355190 644373166 /nfs/dbraw/zinc/37/31/66/644373166.db2.gz HIMZHQYEFZQPEP-QWHCGFSZSA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366232 644378934 /nfs/dbraw/zinc/37/89/34/644378934.db2.gz IGLPOIIQRZRKDE-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP CCCCCC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923367437 644379411 /nfs/dbraw/zinc/37/94/11/644379411.db2.gz VBPOARHFYXLGTB-RYUDHWBXSA-N 2 1 232.368 0.569 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000923368236 644382084 /nfs/dbraw/zinc/38/20/84/644382084.db2.gz OJPXCKFOICBMPK-QWRGUYRKSA-N 2 1 230.352 0.755 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371074 644384707 /nfs/dbraw/zinc/38/47/07/644384707.db2.gz VBKXREFGVYJJIT-IUCAKERBSA-N 2 1 220.382 0.673 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923363291 644388355 /nfs/dbraw/zinc/38/83/55/644388355.db2.gz QRSJSHLHMMAINS-HTAVTVPLSA-N 2 1 230.352 0.584 20 0 BCADMP C[N@H+](Cc1cccnc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923374962 644389020 /nfs/dbraw/zinc/38/90/20/644389020.db2.gz WNULWZGJCPMPFG-SRVKXCTJSA-N 2 1 221.304 0.364 20 0 BCADMP C[N@@H+](Cc1cccnc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923374962 644389024 /nfs/dbraw/zinc/38/90/24/644389024.db2.gz WNULWZGJCPMPFG-SRVKXCTJSA-N 2 1 221.304 0.364 20 0 BCADMP CCOCCOCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923383138 644394790 /nfs/dbraw/zinc/39/47/90/644394790.db2.gz XFQKCIIRPRRXBL-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000923390010 644396335 /nfs/dbraw/zinc/39/63/35/644396335.db2.gz AUEDZRZNWZGZFB-AATLWQCWSA-N 2 1 232.274 0.568 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923390018 644396538 /nfs/dbraw/zinc/39/65/38/644396538.db2.gz AUUBKIGWFJXBDY-FRRDWIJNSA-N 2 1 244.379 0.832 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391888 644398503 /nfs/dbraw/zinc/39/85/03/644398503.db2.gz GHGPJMXBKYQURE-GRYCIOLGSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391888 644398514 /nfs/dbraw/zinc/39/85/14/644398514.db2.gz GHGPJMXBKYQURE-GRYCIOLGSA-N 2 1 239.363 0.177 20 0 BCADMP COCC[N@H+](CCF)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923392053 644398611 /nfs/dbraw/zinc/39/86/11/644398611.db2.gz OYDQGHIHMRLQES-LLVKDONJSA-N 2 1 246.326 0.283 20 0 BCADMP COCC[N@@H+](CCF)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923392053 644398620 /nfs/dbraw/zinc/39/86/20/644398620.db2.gz OYDQGHIHMRLQES-LLVKDONJSA-N 2 1 246.326 0.283 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392188 644398754 /nfs/dbraw/zinc/39/87/54/644398754.db2.gz IFOCFWGKTJFWIF-LPEHRKFASA-N 2 1 218.366 0.522 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392187 644399469 /nfs/dbraw/zinc/39/94/69/644399469.db2.gz IFOCFWGKTJFWIF-KXUCPTDWSA-N 2 1 218.366 0.522 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393698 644400973 /nfs/dbraw/zinc/40/09/73/644400973.db2.gz WDJOMIUQKCYELP-CPCZMJQVSA-N 2 1 242.363 0.587 20 0 BCADMP CSC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393518 644401867 /nfs/dbraw/zinc/40/18/67/644401867.db2.gz RUZAYOKIAXDDTK-CXQJBGSLSA-N 2 1 244.404 0.914 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923393859 644402279 /nfs/dbraw/zinc/40/22/79/644402279.db2.gz ZMSPXTNQZKBTRV-GRYCIOLGSA-N 2 1 238.335 0.056 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411538 644414294 /nfs/dbraw/zinc/41/42/94/644414294.db2.gz NADRFEMQCKZVQY-IVZWLZJFSA-N 2 1 218.366 0.237 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413907 644416453 /nfs/dbraw/zinc/41/64/53/644416453.db2.gz JWJJLOUAQSJYCH-SDDRHHMPSA-N 2 1 228.336 0.068 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000923426079 644418499 /nfs/dbraw/zinc/41/84/99/644418499.db2.gz CDHRQXUALQBEFV-PJSNJIKXSA-N 2 1 240.347 0.338 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923428931 644422468 /nfs/dbraw/zinc/42/24/68/644422468.db2.gz SUYOBMIZHFMERH-GHMZBOCLSA-N 2 1 228.336 0.258 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923459224 644440546 /nfs/dbraw/zinc/44/05/46/644440546.db2.gz FGDLDKDFVCLWPD-UHFFFAOYSA-N 3 1 228.384 0.000 20 0 BCADMP OCCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461519 644445326 /nfs/dbraw/zinc/44/53/26/644445326.db2.gz QJQXMEBZNDIMMO-UHFFFAOYSA-N 2 1 229.368 0.034 20 0 BCADMP CCO[C@@H](C[N@@H+]1CCC[C@](N)(CO)C1)C1CC1 ZINC000923475194 644453931 /nfs/dbraw/zinc/45/39/31/644453931.db2.gz OJVZODFKUYOPJF-QWHCGFSZSA-N 2 1 242.363 0.587 20 0 BCADMP CCO[C@@H](C[N@H+]1CCC[C@](N)(CO)C1)C1CC1 ZINC000923475194 644453936 /nfs/dbraw/zinc/45/39/36/644453936.db2.gz OJVZODFKUYOPJF-QWHCGFSZSA-N 2 1 242.363 0.587 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480643 644458182 /nfs/dbraw/zinc/45/81/82/644458182.db2.gz AWGSHHDPGWRJLL-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000923482383 644458745 /nfs/dbraw/zinc/45/87/45/644458745.db2.gz ZJCCWTSYYFRCMN-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480639 644458958 /nfs/dbraw/zinc/45/89/58/644458958.db2.gz AWGSHHDPGWRJLL-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923480993 644459208 /nfs/dbraw/zinc/45/92/08/644459208.db2.gz NJHVRIGCIJBJKA-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488117 644461766 /nfs/dbraw/zinc/46/17/66/644461766.db2.gz DNKLXCDUWRYZPQ-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485207 644463022 /nfs/dbraw/zinc/46/30/22/644463022.db2.gz QEHFKKBALIIGDO-SNVBAGLBSA-N 2 1 214.309 0.610 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1C[NH3+] ZINC000923490515 644466142 /nfs/dbraw/zinc/46/61/42/644466142.db2.gz ODUHSVHHUFGQNY-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1C[NH3+] ZINC000923490515 644466147 /nfs/dbraw/zinc/46/61/47/644466147.db2.gz ODUHSVHHUFGQNY-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](CC2(O)CCOCC2)CC[C@@H]1C[NH3+] ZINC000923492935 644466867 /nfs/dbraw/zinc/46/68/67/644466867.db2.gz ZPIRAUAZPMKXPK-NWDGAFQWSA-N 2 1 242.363 0.445 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493155 644466924 /nfs/dbraw/zinc/46/69/24/644466924.db2.gz DWFFJVLMIJHDLW-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497308 644471064 /nfs/dbraw/zinc/47/10/64/644471064.db2.gz DOIDRTBAAJAOLV-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499063 644471926 /nfs/dbraw/zinc/47/19/26/644471926.db2.gz QSHIJIOCGHVUFY-GMTAPVOTSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499336 644472151 /nfs/dbraw/zinc/47/21/51/644472151.db2.gz JYGKJQUWGDMLPD-VGMNWLOBSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499066 644473742 /nfs/dbraw/zinc/47/37/42/644473742.db2.gz QSHIJIOCGHVUFY-VWYCJHECSA-N 2 1 227.352 0.380 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497759 644474137 /nfs/dbraw/zinc/47/41/37/644474137.db2.gz DLAXMOLLGSCWRP-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500003 644474212 /nfs/dbraw/zinc/47/42/12/644474212.db2.gz UBJADSFRMRKUGZ-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000923507370 644475417 /nfs/dbraw/zinc/47/54/17/644475417.db2.gz BTFCQHUGECWZMX-DDHJBXDOSA-N 2 1 210.321 0.692 20 0 BCADMP c1n[nH]cc1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515691 644479396 /nfs/dbraw/zinc/47/93/96/644479396.db2.gz KKSJOAXFQKZCST-NWDGAFQWSA-N 2 1 220.320 0.494 20 0 BCADMP c1nc2n(n1)[C@@H](C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515854 644480980 /nfs/dbraw/zinc/48/09/80/644480980.db2.gz OXESKLIEQRKESY-QJPTWQEYSA-N 2 1 247.346 0.307 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000923518330 644482671 /nfs/dbraw/zinc/48/26/71/644482671.db2.gz CZAMCXPHFWAQPX-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518971 644482422 /nfs/dbraw/zinc/48/24/22/644482422.db2.gz HZQNJMXQJOVHJP-GRYCIOLGSA-N 2 1 210.321 0.564 20 0 BCADMP C[NH2+]CCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000923528037 644484877 /nfs/dbraw/zinc/48/48/77/644484877.db2.gz RWFXVUHIUFIOEC-UHFFFAOYSA-N 2 1 227.308 0.170 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC000923531050 644486182 /nfs/dbraw/zinc/48/61/82/644486182.db2.gz MZQBIYWBDOCONB-KIENENRBSA-N 2 1 237.347 0.596 20 0 BCADMP COC(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522658 644486329 /nfs/dbraw/zinc/48/63/29/644486329.db2.gz XHAQDSOMTWYVCC-VHSXEESVSA-N 2 1 212.293 0.091 20 0 BCADMP OC[C@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923531073 644488611 /nfs/dbraw/zinc/48/86/11/644488611.db2.gz ORFPBINDPORBMO-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP COC[C@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556274 644499679 /nfs/dbraw/zinc/49/96/79/644499679.db2.gz FXZQBSDFCBQMDH-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000088133843 644511912 /nfs/dbraw/zinc/51/19/12/644511912.db2.gz FNHOJSOHWWZNEK-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000637863151 644551691 /nfs/dbraw/zinc/55/16/91/644551691.db2.gz ZLVFKCDHEIMQMH-UHFFFAOYSA-N 2 1 238.335 0.635 20 0 BCADMP C[N@@H+](CC(=O)NCC1CC1)C1CCC([NH3+])CC1 ZINC000091846610 644643181 /nfs/dbraw/zinc/64/31/81/644643181.db2.gz SGKALQBPCWPILD-UHFFFAOYSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250369733 644757115 /nfs/dbraw/zinc/75/71/15/644757115.db2.gz SPFAJLMDESRIEH-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250568502 644765326 /nfs/dbraw/zinc/76/53/26/644765326.db2.gz HFNDKUBMEPMVOU-GRYCIOLGSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251227126 644798993 /nfs/dbraw/zinc/79/89/93/644798993.db2.gz PCQJVSZRMPQSOD-KXUCPTDWSA-N 2 1 213.325 0.167 20 0 BCADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251831517 644825413 /nfs/dbraw/zinc/82/54/13/644825413.db2.gz PONCDQVTAGYBHB-MNOVXSKESA-N 2 1 227.352 0.381 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304411152 644905538 /nfs/dbraw/zinc/90/55/38/644905538.db2.gz YATZHDPTWWWOLS-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252799320 644909329 /nfs/dbraw/zinc/90/93/29/644909329.db2.gz RSDQUGFAGWIAQV-QWRGUYRKSA-N 2 1 241.335 0.416 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252799320 644909335 /nfs/dbraw/zinc/90/93/35/644909335.db2.gz RSDQUGFAGWIAQV-QWRGUYRKSA-N 2 1 241.335 0.416 20 0 BCADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843127 644913456 /nfs/dbraw/zinc/91/34/56/644913456.db2.gz CXXKQRFHVIBSDX-SRVKXCTJSA-N 2 1 234.347 0.979 20 0 BCADMP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843127 644913462 /nfs/dbraw/zinc/91/34/62/644913462.db2.gz CXXKQRFHVIBSDX-SRVKXCTJSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[NH+](C)C ZINC000827233482 645074973 /nfs/dbraw/zinc/07/49/73/645074973.db2.gz PYUZKCOZYUDOLQ-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000843389669 645288740 /nfs/dbraw/zinc/28/87/40/645288740.db2.gz KQNLJKBKDOKXEI-SNVBAGLBSA-N 2 1 224.308 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000843389669 645288748 /nfs/dbraw/zinc/28/87/48/645288748.db2.gz KQNLJKBKDOKXEI-SNVBAGLBSA-N 2 1 224.308 0.522 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000844187705 645316126 /nfs/dbraw/zinc/31/61/26/645316126.db2.gz OEFVMZANOYRPLB-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000844187065 645316680 /nfs/dbraw/zinc/31/66/80/645316680.db2.gz CGNVUGVGRAOJKN-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926709064 645371613 /nfs/dbraw/zinc/37/16/13/645371613.db2.gz XQFQMNLHTOVIPC-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926709064 645371619 /nfs/dbraw/zinc/37/16/19/645371619.db2.gz XQFQMNLHTOVIPC-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ncccn1 ZINC000926710975 645375687 /nfs/dbraw/zinc/37/56/87/645375687.db2.gz UPHKKQYNTGZRNK-QYJAPNMZSA-N 2 1 232.331 0.906 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1COC[C@@H]1CC)C[NH+](C)C ZINC000926957638 645502216 /nfs/dbraw/zinc/50/22/16/645502216.db2.gz BSMDCLUFRIOFET-XQQFMLRXSA-N 2 1 244.379 0.968 20 0 BCADMP OC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000927149425 645571465 /nfs/dbraw/zinc/57/14/65/645571465.db2.gz ZWLYRDGQTOKHBD-UMSPYCQHSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cncn2)CC1(C)C ZINC000858112665 645670265 /nfs/dbraw/zinc/67/02/65/645670265.db2.gz QXMRWXKNLQHYHL-LLVKDONJSA-N 2 1 237.351 0.741 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000928429403 645746230 /nfs/dbraw/zinc/74/62/30/645746230.db2.gz BXSMWUYHUAEVFG-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928448034 645771680 /nfs/dbraw/zinc/77/16/80/645771680.db2.gz MPPCBGIDHMGUFN-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928448034 645771686 /nfs/dbraw/zinc/77/16/86/645771686.db2.gz MPPCBGIDHMGUFN-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928448034 645771693 /nfs/dbraw/zinc/77/16/93/645771693.db2.gz MPPCBGIDHMGUFN-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928553219 645809198 /nfs/dbraw/zinc/80/91/98/645809198.db2.gz LSBWABZBTWAZFM-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929263845 646045330 /nfs/dbraw/zinc/04/53/30/646045330.db2.gz OJXAYPPAYIVGQS-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000924995272 646153598 /nfs/dbraw/zinc/15/35/98/646153598.db2.gz VCHMGLDRLOFTSK-CXQJBGSLSA-N 2 1 230.352 0.455 20 0 BCADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000925011564 646157054 /nfs/dbraw/zinc/15/70/54/646157054.db2.gz QVJNIKYTHGLEIO-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000925011564 646157058 /nfs/dbraw/zinc/15/70/58/646157058.db2.gz QVJNIKYTHGLEIO-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cccn1 ZINC000925326278 646244261 /nfs/dbraw/zinc/24/42/61/646244261.db2.gz QIVSSSNMKOHEJF-FUNVUKJBSA-N 2 1 234.347 0.813 20 0 BCADMP OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719488 646271417 /nfs/dbraw/zinc/27/14/17/646271417.db2.gz OSYBBPVPGLIKAD-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719488 646271420 /nfs/dbraw/zinc/27/14/20/646271420.db2.gz OSYBBPVPGLIKAD-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719487 646271954 /nfs/dbraw/zinc/27/19/54/646271954.db2.gz OSYBBPVPGLIKAD-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719487 646271961 /nfs/dbraw/zinc/27/19/61/646271961.db2.gz OSYBBPVPGLIKAD-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CO ZINC000929721796 646274465 /nfs/dbraw/zinc/27/44/65/646274465.db2.gz GRBCKORSEULSMB-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CO ZINC000929721796 646274470 /nfs/dbraw/zinc/27/44/70/646274470.db2.gz GRBCKORSEULSMB-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CO ZINC000929721796 646274473 /nfs/dbraw/zinc/27/44/73/646274473.db2.gz GRBCKORSEULSMB-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CO ZINC000929721796 646274477 /nfs/dbraw/zinc/27/44/77/646274477.db2.gz GRBCKORSEULSMB-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929747445 646279302 /nfs/dbraw/zinc/27/93/02/646279302.db2.gz CSNHEWQKVMWDGM-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929747445 646279312 /nfs/dbraw/zinc/27/93/12/646279312.db2.gz CSNHEWQKVMWDGM-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[N@@H+](C)C1CC1 ZINC000925496282 646291971 /nfs/dbraw/zinc/29/19/71/646291971.db2.gz PUYPHIULLNCUPO-QWRGUYRKSA-N 2 1 227.352 0.047 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925481795 646294593 /nfs/dbraw/zinc/29/45/93/646294593.db2.gz KYSYOGNVSRHLAB-YOOCBKBXSA-N 2 1 238.375 0.979 20 0 BCADMP CCN1CCC([N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000929778624 646304665 /nfs/dbraw/zinc/30/46/65/646304665.db2.gz JOINXUOYFQVWFK-ZDUSSCGKSA-N 2 1 242.363 0.818 20 0 BCADMP CC[NH+]1CCC(N(C)C[C@H]2COCCO2)CC1 ZINC000929778624 646304672 /nfs/dbraw/zinc/30/46/72/646304672.db2.gz JOINXUOYFQVWFK-ZDUSSCGKSA-N 2 1 242.363 0.818 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925511170 646307820 /nfs/dbraw/zinc/30/78/20/646307820.db2.gz HUTRTIJZPBTRHJ-GHMZBOCLSA-N 2 1 235.335 0.541 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925518275 646312648 /nfs/dbraw/zinc/31/26/48/646312648.db2.gz OIKOZVFDYIGSKL-SNVBAGLBSA-N 2 1 213.325 0.243 20 0 BCADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)N1CCOCC1 ZINC000925526685 646317154 /nfs/dbraw/zinc/31/71/54/646317154.db2.gz OJAZAOSPORAOJB-RYUDHWBXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000925527356 646317182 /nfs/dbraw/zinc/31/71/82/646317182.db2.gz TXEXHQFEWZQBTO-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925537862 646321817 /nfs/dbraw/zinc/32/18/17/646321817.db2.gz ONOGTNKYXNDYHU-VXGBXAGGSA-N 2 1 239.363 0.049 20 0 BCADMP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925537860 646322569 /nfs/dbraw/zinc/32/25/69/646322569.db2.gz ONOGTNKYXNDYHU-NWDGAFQWSA-N 2 1 239.363 0.049 20 0 BCADMP CC[N@@H+](CCN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925556499 646328452 /nfs/dbraw/zinc/32/84/52/646328452.db2.gz JVHVCCUYWBFWPL-LBPRGKRZSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553482 646329556 /nfs/dbraw/zinc/32/95/56/646329556.db2.gz SLKNMBNEYVNIBL-WZRBSPASSA-N 2 1 239.363 0.047 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@@H]3C[NH2+]CCOC3)CC[N@H+]2C1 ZINC000925562854 646335966 /nfs/dbraw/zinc/33/59/66/646335966.db2.gz QWPOKLKRWPCWCI-YNEHKIRRSA-N 2 1 239.363 0.191 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925582218 646346528 /nfs/dbraw/zinc/34/65/28/646346528.db2.gz CYBAHMTYIQSIQS-DLOVCJGASA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C(N)=O ZINC000925600721 646353147 /nfs/dbraw/zinc/35/31/47/646353147.db2.gz IDMBPSUIYXWXNI-JTQLQIEISA-N 2 1 239.363 0.762 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732323 711529977 /nfs/dbraw/zinc/52/99/77/711529977.db2.gz WIYWHRBQTFBKAV-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000925614302 646361640 /nfs/dbraw/zinc/36/16/40/646361640.db2.gz IAKLPWFQXQGFLL-JQWIXIFHSA-N 2 1 234.347 0.997 20 0 BCADMP c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925620883 646367106 /nfs/dbraw/zinc/36/71/06/646367106.db2.gz IPJXGNNBETZPHA-WDEREUQCSA-N 2 1 247.346 0.467 20 0 BCADMP C[N@@H+]1CCO[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925621393 646367358 /nfs/dbraw/zinc/36/73/58/646367358.db2.gz KURTUBLYXIDUHU-RYUDHWBXSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCO[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925621393 646367363 /nfs/dbraw/zinc/36/73/63/646367363.db2.gz KURTUBLYXIDUHU-RYUDHWBXSA-N 2 1 239.363 0.191 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925623184 646370679 /nfs/dbraw/zinc/37/06/79/646370679.db2.gz QBEPOAGGFRNWSS-MNOVXSKESA-N 2 1 212.337 0.878 20 0 BCADMP O[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925625538 646371415 /nfs/dbraw/zinc/37/14/15/646371415.db2.gz IYHJIFUAIGIEHT-NWDGAFQWSA-N 2 1 240.347 0.402 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000929962421 646378763 /nfs/dbraw/zinc/37/87/63/646378763.db2.gz TWSMUAMCCDCPOX-ZYHUDNBSSA-N 2 1 230.352 0.191 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925660688 646397282 /nfs/dbraw/zinc/39/72/82/646397282.db2.gz SPYYPLSSYPLJEF-IGJPJIBNSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925662535 646398700 /nfs/dbraw/zinc/39/87/00/646398700.db2.gz IXKCSOSJDOUDDG-HBNTYKKESA-N 2 1 237.347 0.528 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000925676394 646404207 /nfs/dbraw/zinc/40/42/07/646404207.db2.gz IROVSSDCLGQEDR-JQWIXIFHSA-N 2 1 237.351 0.478 20 0 BCADMP O=C1NCCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925684672 646411070 /nfs/dbraw/zinc/41/10/70/646411070.db2.gz CDTKEEJDFHVNFJ-JIMTYQMOSA-N 2 1 249.358 0.099 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH2+]CC1)[NH2+]2 ZINC000925694412 646420531 /nfs/dbraw/zinc/42/05/31/646420531.db2.gz UINSUYFGNVQRDI-GWNIPJSYSA-N 3 1 223.364 0.857 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000925702496 646425063 /nfs/dbraw/zinc/42/50/63/646425063.db2.gz AOXCRBMILAQSDJ-YFKTTZPYSA-N 3 1 211.353 0.844 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000925702530 646425089 /nfs/dbraw/zinc/42/50/89/646425089.db2.gz BBLXNYAMOXEUOO-VWYCJHECSA-N 2 1 211.353 0.844 20 0 BCADMP Cn1cnc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925702823 646427594 /nfs/dbraw/zinc/42/75/94/646427594.db2.gz DZRXUKYESJSYMR-JTQLQIEISA-N 2 1 237.351 0.478 20 0 BCADMP C[NH+](C)C1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925704937 646428696 /nfs/dbraw/zinc/42/86/96/646428696.db2.gz ITRKNAXLQNUXTJ-OTTFEQOBSA-N 2 1 241.379 0.437 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925705074 646429832 /nfs/dbraw/zinc/42/98/32/646429832.db2.gz JDZUZKGUJWSTMM-NWDGAFQWSA-N 2 1 241.379 0.437 20 0 BCADMP [NH3+]C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925709691 646434989 /nfs/dbraw/zinc/43/49/89/646434989.db2.gz PSSQIRDJGJWCPP-WOPDTQHZSA-N 2 1 223.364 0.988 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717162 646441008 /nfs/dbraw/zinc/44/10/08/646441008.db2.gz FOFOPVLXGPZCEY-LPEHRKFASA-N 2 1 241.335 0.254 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000925719028 646444682 /nfs/dbraw/zinc/44/46/82/646444682.db2.gz PWGYQVRGVHXNSE-MNOVXSKESA-N 2 1 215.341 0.082 20 0 BCADMP CCn1nncc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925721596 646446684 /nfs/dbraw/zinc/44/66/84/646446684.db2.gz OROYHMPXXPVXSU-GHMZBOCLSA-N 2 1 235.335 0.658 20 0 BCADMP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726991 646451960 /nfs/dbraw/zinc/45/19/60/646451960.db2.gz MNIICGIXIXBSFZ-YVECIDJPSA-N 2 1 239.363 0.095 20 0 BCADMP [NH3+]C1CC(CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925729417 646454562 /nfs/dbraw/zinc/45/45/62/646454562.db2.gz JLFURXDROLOGPZ-HTAVTVPLSA-N 2 1 223.364 0.988 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000925781846 646479757 /nfs/dbraw/zinc/47/97/57/646479757.db2.gz GTVSMFXSQJUOEP-FPQZTECRSA-N 2 1 223.364 0.667 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000925787043 646482806 /nfs/dbraw/zinc/48/28/06/646482806.db2.gz RYFXQNOQDUPMPL-WISYIIOYSA-N 2 1 211.353 0.559 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925828445 646498627 /nfs/dbraw/zinc/49/86/27/646498627.db2.gz XMNSSENXASVLKJ-VWYCJHECSA-N 2 1 210.321 0.896 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925829843 646499869 /nfs/dbraw/zinc/49/98/69/646499869.db2.gz AFWKXTFBTZVCHW-RHYQMDGZSA-N 2 1 240.347 0.520 20 0 BCADMP O=C1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)CN1 ZINC000925840823 646506839 /nfs/dbraw/zinc/50/68/39/646506839.db2.gz XVVCTOUQFQSHEO-MNOVXSKESA-N 2 1 237.347 0.387 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CNOC1)[NH2+]2 ZINC000925858849 646512933 /nfs/dbraw/zinc/51/29/33/646512933.db2.gz DHERHYKXLAGNMA-DAWVFNFOSA-N 2 1 211.309 0.008 20 0 BCADMP C1C[C@H]([NH2+][C@@H]2CNOC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925860261 646513369 /nfs/dbraw/zinc/51/33/69/646513369.db2.gz OHFLSYQZDYOFFV-XQHKEYJVSA-N 2 1 239.363 0.790 20 0 BCADMP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863623 646516146 /nfs/dbraw/zinc/51/61/46/646516146.db2.gz CXAKGCZNEKNUJC-RWMBFGLXSA-N 2 1 239.363 0.648 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[C@H]21 ZINC000925865314 646516485 /nfs/dbraw/zinc/51/64/85/646516485.db2.gz GGQOSDDEPYNHRY-FIQHERPVSA-N 2 1 225.336 0.352 20 0 BCADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863622 646516772 /nfs/dbraw/zinc/51/67/72/646516772.db2.gz CXAKGCZNEKNUJC-AVGNSLFASA-N 2 1 239.363 0.648 20 0 BCADMP CCOCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925874566 646526098 /nfs/dbraw/zinc/52/60/98/646526098.db2.gz KIFBKNVKMINCNY-NEPJUHHUSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)CO ZINC000926175590 646588959 /nfs/dbraw/zinc/58/89/59/646588959.db2.gz YUFWHIUEKSYJNH-JQWIXIFHSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)CO ZINC000926175590 646588965 /nfs/dbraw/zinc/58/89/65/646588965.db2.gz YUFWHIUEKSYJNH-JQWIXIFHSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901917 711544811 /nfs/dbraw/zinc/54/48/11/711544811.db2.gz TVRRMUZBJXCCPD-GRYCIOLGSA-N 2 1 212.337 0.940 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC([NH3+])C1 ZINC000724588623 711595923 /nfs/dbraw/zinc/59/59/23/711595923.db2.gz BGSYVGZEQMPZOI-RFAQPDLFSA-N 2 1 226.320 0.212 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720904033 711686892 /nfs/dbraw/zinc/68/68/92/711686892.db2.gz WBSXLBUSQIVWNG-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000094024785 711736885 /nfs/dbraw/zinc/73/68/85/711736885.db2.gz OALXHMXXVOKUMQ-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278535 711868882 /nfs/dbraw/zinc/86/88/82/711868882.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278535 711868885 /nfs/dbraw/zinc/86/88/85/711868885.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278535 711868887 /nfs/dbraw/zinc/86/88/87/711868887.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700236694 711988271 /nfs/dbraw/zinc/98/82/71/711988271.db2.gz GWYNSZYDYOPNAO-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP COCCOCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702062982 712037716 /nfs/dbraw/zinc/03/77/16/712037716.db2.gz DGJFPHNMKBWUCX-NWDGAFQWSA-N 2 1 228.336 0.191 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702062982 712037719 /nfs/dbraw/zinc/03/77/19/712037719.db2.gz DGJFPHNMKBWUCX-NWDGAFQWSA-N 2 1 228.336 0.191 20 0 BCADMP COC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702266515 712044105 /nfs/dbraw/zinc/04/41/05/712044105.db2.gz FTLATOPXXBQTKT-CMPLNLGQSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702266515 712044107 /nfs/dbraw/zinc/04/41/07/712044107.db2.gz FTLATOPXXBQTKT-CMPLNLGQSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702266515 712044109 /nfs/dbraw/zinc/04/41/09/712044109.db2.gz FTLATOPXXBQTKT-CMPLNLGQSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702266515 712044112 /nfs/dbraw/zinc/04/41/12/712044112.db2.gz FTLATOPXXBQTKT-CMPLNLGQSA-N 2 1 226.320 0.433 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702621888 712056422 /nfs/dbraw/zinc/05/64/22/712056422.db2.gz CYXQKTJINRBHFO-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702621888 712056424 /nfs/dbraw/zinc/05/64/24/712056424.db2.gz CYXQKTJINRBHFO-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702627331 712057218 /nfs/dbraw/zinc/05/72/18/712057218.db2.gz YJUOIYHLAFUWLY-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702627331 712057219 /nfs/dbraw/zinc/05/72/19/712057219.db2.gz YJUOIYHLAFUWLY-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C1CC([NH3+])C1 ZINC000703514298 712077049 /nfs/dbraw/zinc/07/70/49/712077049.db2.gz FHGWWWVLFINDGK-UHFFFAOYSA-N 2 1 222.292 0.045 20 0 BCADMP CO[C@@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000705352001 712130199 /nfs/dbraw/zinc/13/01/99/712130199.db2.gz HITUCWJNUNEKMZ-PSEXLTFBSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708369350 712190719 /nfs/dbraw/zinc/19/07/19/712190719.db2.gz VJYKDFVRNGRQNQ-LLVKDONJSA-N 2 1 230.352 0.709 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000708847655 712200721 /nfs/dbraw/zinc/20/07/21/712200721.db2.gz DBWXPQICAKVENR-HLTSFMKQSA-N 2 1 240.269 0.826 20 0 BCADMP COC[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)OC ZINC000710687527 712254381 /nfs/dbraw/zinc/25/43/81/712254381.db2.gz HGJAMHHSUYYNDW-HTAVTVPLSA-N 2 1 230.352 0.850 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCN1CCOC1=O ZINC000710781588 712256081 /nfs/dbraw/zinc/25/60/81/712256081.db2.gz OSMAUAMHCTUCFM-UHFFFAOYSA-N 2 1 243.351 0.890 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000711311937 712293484 /nfs/dbraw/zinc/29/34/84/712293484.db2.gz ULJSHXQWTKRWIN-LLVKDONJSA-N 2 1 239.363 0.442 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479158 712334312 /nfs/dbraw/zinc/33/43/12/712334312.db2.gz NAFRNGOPTFTEPT-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000379783208 712398882 /nfs/dbraw/zinc/39/88/82/712398882.db2.gz GVJBPTAROHWBPA-ZJUUUORDSA-N 2 1 213.325 0.310 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712437782 712429711 /nfs/dbraw/zinc/42/97/11/712429711.db2.gz KSEWGUUJJVTNCT-WDEREUQCSA-N 2 1 228.336 0.340 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712437782 712429712 /nfs/dbraw/zinc/42/97/12/712429712.db2.gz KSEWGUUJJVTNCT-WDEREUQCSA-N 2 1 228.336 0.340 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CC[N@H+]1C ZINC000712611926 712437214 /nfs/dbraw/zinc/43/72/14/712437214.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 1 211.353 0.763 20 0 BCADMP Cc1cc(NC[C@H]2CC[N@@H+]2C)nc(N)[nH+]1 ZINC000712537167 712442721 /nfs/dbraw/zinc/44/27/21/712442721.db2.gz CCYKQWFPLNXKJT-MRVPVSSYSA-N 2 1 207.281 0.483 20 0 BCADMP CCN1CC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000712540449 712443294 /nfs/dbraw/zinc/44/32/94/712443294.db2.gz BDNHJDQYHLGWFS-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558490 712445531 /nfs/dbraw/zinc/44/55/31/712445531.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712558490 712445533 /nfs/dbraw/zinc/44/55/33/712445533.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712558490 712445534 /nfs/dbraw/zinc/44/55/34/712445534.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558490 712445536 /nfs/dbraw/zinc/44/55/36/712445536.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558490 712445538 /nfs/dbraw/zinc/44/55/38/712445538.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715402892 712517190 /nfs/dbraw/zinc/51/71/90/712517190.db2.gz NDVHGWCYXQFIFL-STQMWFEESA-N 2 1 242.363 0.851 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000389681768 712689937 /nfs/dbraw/zinc/68/99/37/712689937.db2.gz XWTWXLGQEWEXNQ-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000925495404 712698629 /nfs/dbraw/zinc/69/86/29/712698629.db2.gz NBTPVSCYAGJTQZ-JQWIXIFHSA-N 2 1 223.364 0.953 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCc1ccns1 ZINC000719884439 712826450 /nfs/dbraw/zinc/82/64/50/712826450.db2.gz DDUMKMQBCBRZOT-UHFFFAOYSA-N 2 1 243.376 0.853 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000720186049 712829162 /nfs/dbraw/zinc/82/91/62/712829162.db2.gz NCUZMUJUVTWAMC-PWSUYJOCSA-N 2 1 244.379 0.845 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000720186049 712829164 /nfs/dbraw/zinc/82/91/64/712829164.db2.gz NCUZMUJUVTWAMC-PWSUYJOCSA-N 2 1 244.379 0.845 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720898699 712874914 /nfs/dbraw/zinc/87/49/14/712874914.db2.gz KWSFPEUWYGCSKX-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720894653 712876194 /nfs/dbraw/zinc/87/61/94/712876194.db2.gz WGWKBLQNRYCSSF-HBNTYKKESA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720897538 712876471 /nfs/dbraw/zinc/87/64/71/712876471.db2.gz HTKCPCDZEOIPMH-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720897462 712876481 /nfs/dbraw/zinc/87/64/81/712876481.db2.gz HSURDQRJWJVYGB-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720904914 712877283 /nfs/dbraw/zinc/87/72/83/712877283.db2.gz XSTFVFIQPBRWPL-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720896722 712876923 /nfs/dbraw/zinc/87/69/23/712876923.db2.gz DHSIGCVARHPOKH-TUAOUCFPSA-N 2 1 239.363 0.665 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381567798 710657304 /nfs/dbraw/zinc/65/73/04/710657304.db2.gz UFFAKPYZXHGIFC-WOPDTQHZSA-N 3 1 211.353 0.785 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380393181 712900447 /nfs/dbraw/zinc/90/04/47/712900447.db2.gz FPENKYYIFUGOHM-TUAOUCFPSA-N 2 1 210.321 0.395 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380393181 712900448 /nfs/dbraw/zinc/90/04/48/712900448.db2.gz FPENKYYIFUGOHM-TUAOUCFPSA-N 2 1 210.321 0.395 20 0 BCADMP C[C@H](O)CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380455274 712900982 /nfs/dbraw/zinc/90/09/82/712900982.db2.gz HQFQRYRXSTUXGT-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380455274 712900983 /nfs/dbraw/zinc/90/09/83/712900983.db2.gz HQFQRYRXSTUXGT-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP COCCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380454185 712901015 /nfs/dbraw/zinc/90/10/15/712901015.db2.gz BZFOVMKINIGKBX-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380454185 712901016 /nfs/dbraw/zinc/90/10/16/712901016.db2.gz BZFOVMKINIGKBX-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028044 710716673 /nfs/dbraw/zinc/71/66/73/710716673.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028044 710716676 /nfs/dbraw/zinc/71/66/76/710716676.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028044 710716679 /nfs/dbraw/zinc/71/66/79/710716679.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1cc(N2CCC[N@H+](C)CC2)nc(N)[nH+]1 ZINC000038812968 710720890 /nfs/dbraw/zinc/72/08/90/710720890.db2.gz OSFIADYLNBBUTD-UHFFFAOYSA-N 2 1 221.308 0.509 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890373 710732756 /nfs/dbraw/zinc/73/27/56/710732756.db2.gz GBMXVJBYKCCRAH-IJLUTSLNSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CC[NH3+] ZINC000723881577 710733236 /nfs/dbraw/zinc/73/32/36/710733236.db2.gz ASMWEIGFQDEWFG-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724922247 710749389 /nfs/dbraw/zinc/74/93/89/710749389.db2.gz PUSJPHQRDRJORS-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724922247 710749391 /nfs/dbraw/zinc/74/93/91/710749391.db2.gz PUSJPHQRDRJORS-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922254 710749595 /nfs/dbraw/zinc/74/95/95/710749595.db2.gz PXTACMQPSNECHT-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000396712222 710907736 /nfs/dbraw/zinc/90/77/36/710907736.db2.gz RKZCMPARKWEFDQ-NAKRPEOUSA-N 2 1 212.337 0.876 20 0 BCADMP C[C@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000133082905 710967258 /nfs/dbraw/zinc/96/72/58/710967258.db2.gz MQHSRVWNDYAFRS-WDEREUQCSA-N 2 1 248.392 0.338 20 0 BCADMP COCCOCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133093129 710968059 /nfs/dbraw/zinc/96/80/59/710968059.db2.gz TWKUMJQEBWHTBZ-VXGBXAGGSA-N 2 1 230.352 0.566 20 0 BCADMP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754668 710974963 /nfs/dbraw/zinc/97/49/63/710974963.db2.gz MDIZQZCQHHCUSN-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754668 710974966 /nfs/dbraw/zinc/97/49/66/710974966.db2.gz MDIZQZCQHHCUSN-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383587907 710982885 /nfs/dbraw/zinc/98/28/85/710982885.db2.gz NGYSLWNQTLOVRS-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383587907 710982886 /nfs/dbraw/zinc/98/28/86/710982886.db2.gz NGYSLWNQTLOVRS-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C3CC3)C[C@H]21 ZINC000384674778 710995767 /nfs/dbraw/zinc/99/57/67/710995767.db2.gz YUGZEXSBEXEQPC-KXNHARMFSA-N 2 1 210.321 0.249 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C3CC3)C[C@H]21 ZINC000384674778 710995770 /nfs/dbraw/zinc/99/57/70/710995770.db2.gz YUGZEXSBEXEQPC-KXNHARMFSA-N 2 1 210.321 0.249 20 0 BCADMP OCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385388325 711011113 /nfs/dbraw/zinc/01/11/13/711011113.db2.gz RNUIHGLEOHWSRU-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP OCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385388325 711011117 /nfs/dbraw/zinc/01/11/17/711011117.db2.gz RNUIHGLEOHWSRU-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1CO ZINC000385878729 711018773 /nfs/dbraw/zinc/01/87/73/711018773.db2.gz WOTZSSIDOKIIQX-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380703257 712902635 /nfs/dbraw/zinc/90/26/35/712902635.db2.gz LLQVWYFCYDPMRK-WDEREUQCSA-N 2 1 225.336 0.052 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380703257 712902636 /nfs/dbraw/zinc/90/26/36/712902636.db2.gz LLQVWYFCYDPMRK-WDEREUQCSA-N 2 1 225.336 0.052 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000389664473 711085756 /nfs/dbraw/zinc/08/57/56/711085756.db2.gz STKMIYKSQJWWQN-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000390163658 711107746 /nfs/dbraw/zinc/10/77/46/711107746.db2.gz DDEIVXWYPPWFSO-LLVKDONJSA-N 2 1 229.368 0.819 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000392923973 711153955 /nfs/dbraw/zinc/15/39/55/711153955.db2.gz PNCNNILSNCFSEB-RJRAAQABSA-N 2 1 221.348 0.277 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000392923969 711154047 /nfs/dbraw/zinc/15/40/47/711154047.db2.gz PNCNNILSNCFSEB-LIBFEPKXSA-N 2 1 221.348 0.277 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000394148267 711186483 /nfs/dbraw/zinc/18/64/83/711186483.db2.gz LYAIZMVKTVVTIM-WFQJECDVSA-N 2 1 246.358 0.858 20 0 BCADMP CS[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000395031473 711201313 /nfs/dbraw/zinc/20/13/13/711201313.db2.gz UXRAMRNZEIVSSG-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP CS[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000395031473 711201316 /nfs/dbraw/zinc/20/13/16/711201316.db2.gz UXRAMRNZEIVSSG-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396612545 711360908 /nfs/dbraw/zinc/36/09/08/711360908.db2.gz FEVOYNHUUGBEIT-AXFHLTTASA-N 2 1 216.325 0.114 20 0 BCADMP C[NH2+]C1CC[NH+](C(COC)COC)CC1 ZINC000395395205 711210228 /nfs/dbraw/zinc/21/02/28/711210228.db2.gz QMAUSAGQQPJVOL-UHFFFAOYSA-N 2 1 216.325 0.332 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000396575724 711355840 /nfs/dbraw/zinc/35/58/40/711355840.db2.gz CGVXGBGBNDYMMC-BJDJZHNGSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587815 711357426 /nfs/dbraw/zinc/35/74/26/711357426.db2.gz AYOOATVLPUPGEK-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCn1cccn1 ZINC000396730488 711367159 /nfs/dbraw/zinc/36/71/59/711367159.db2.gz YFYOZBRGOVINIT-WDEREUQCSA-N 2 1 208.309 0.613 20 0 BCADMP C[C@@H]1C[N@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176059 711403888 /nfs/dbraw/zinc/40/38/88/711403888.db2.gz KACHRZOUCKFAGB-HTQZYQBOSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176059 711403891 /nfs/dbraw/zinc/40/38/91/711403891.db2.gz KACHRZOUCKFAGB-HTQZYQBOSA-N 2 1 208.252 0.895 20 0 BCADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](O)C[NH3+] ZINC000399257266 711424217 /nfs/dbraw/zinc/42/42/17/711424217.db2.gz MRRDVTOCEAARAK-HTQZYQBOSA-N 2 1 241.162 0.822 20 0 BCADMP C[C@@H]1COCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399332186 711427685 /nfs/dbraw/zinc/42/76/85/711427685.db2.gz VNZVYPBNZHOISE-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000383635704 710984987 /nfs/dbraw/zinc/98/49/87/710984987.db2.gz YCXUBYRMPXAIMJ-NWDGAFQWSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CC[C@H](CNC2=[NH+]CCCN2C)C1 ZINC000386572151 711032826 /nfs/dbraw/zinc/03/28/26/711032826.db2.gz LZOYHUKTWHREFD-LLVKDONJSA-N 2 1 224.352 0.609 20 0 BCADMP Cc1n[nH]c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000392393146 711147706 /nfs/dbraw/zinc/14/77/06/711147706.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 1 249.362 0.870 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396701134 711367522 /nfs/dbraw/zinc/36/75/22/711367522.db2.gz HFANFNNEHUYMHH-LPEHRKFASA-N 2 1 213.325 0.241 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOCCO ZINC000396726470 711369637 /nfs/dbraw/zinc/36/96/37/711369637.db2.gz YWLCUEQROGNJBA-WDEREUQCSA-N 2 1 216.325 0.116 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397303488 711380770 /nfs/dbraw/zinc/38/07/70/711380770.db2.gz LNPRTAJHDVKVOR-ZDEQEGDKSA-N 2 1 244.379 0.689 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227612 711452798 /nfs/dbraw/zinc/45/27/98/711452798.db2.gz XDGBCUCEQAXMBP-XZUYRWCXSA-N 2 1 237.347 0.324 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713583912 711491274 /nfs/dbraw/zinc/49/12/74/711491274.db2.gz BRIPYIYUQPHDBK-QWRGUYRKSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713583912 711491276 /nfs/dbraw/zinc/49/12/76/711491276.db2.gz BRIPYIYUQPHDBK-QWRGUYRKSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714374741 711505658 /nfs/dbraw/zinc/50/56/58/711505658.db2.gz OIQNARRYFZNZJN-GHMZBOCLSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714374741 711505659 /nfs/dbraw/zinc/50/56/59/711505659.db2.gz OIQNARRYFZNZJN-GHMZBOCLSA-N 2 1 230.352 0.586 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000891395801 711511023 /nfs/dbraw/zinc/51/10/23/711511023.db2.gz ZRKRFXGZWZCBSV-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732322 711530341 /nfs/dbraw/zinc/53/03/41/711530341.db2.gz WIYWHRBQTFBKAV-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000723679407 711533694 /nfs/dbraw/zinc/53/36/94/711533694.db2.gz CQQDKHNOKZYLKP-JTQLQIEISA-N 2 1 223.324 0.469 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000723885830 711543132 /nfs/dbraw/zinc/54/31/32/711543132.db2.gz CSJHWKPIWLINQA-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723884284 711543315 /nfs/dbraw/zinc/54/33/15/711543315.db2.gz SVNKTOGTWSXVDS-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723884284 711543319 /nfs/dbraw/zinc/54/33/19/711543319.db2.gz SVNKTOGTWSXVDS-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892179 711544280 /nfs/dbraw/zinc/54/42/80/711544280.db2.gz PSWXGNKMFDSINE-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000723994561 711552259 /nfs/dbraw/zinc/55/22/59/711552259.db2.gz RTRQNAQWAXEZQS-AGIUHOORSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000724544062 711588305 /nfs/dbraw/zinc/58/83/05/711588305.db2.gz ITLCFVNUYPZIFX-OFTGVCEQSA-N 2 1 240.347 0.520 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724585451 711595630 /nfs/dbraw/zinc/59/56/30/711595630.db2.gz KJEQIRATSKHCLF-QWQWKMKNSA-N 2 1 240.347 0.520 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921819 711628592 /nfs/dbraw/zinc/62/85/92/711628592.db2.gz NHSONHHTXHJTLE-LLVKDONJSA-N 2 1 230.352 0.709 20 0 BCADMP C[NH+]1CCC([NH2+]CCO[C@H]2CCOC2)CC1 ZINC000724954820 711634192 /nfs/dbraw/zinc/63/41/92/711634192.db2.gz BLUHEYQQILDHLD-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC(O)C3)CC[N@@H+]1C ZINC000724958049 711634617 /nfs/dbraw/zinc/63/46/17/711634617.db2.gz LFVYNMKRVTYEQM-BFCCFQBASA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC(O)C3)CC[N@H+]1C ZINC000724958049 711634619 /nfs/dbraw/zinc/63/46/19/711634619.db2.gz LFVYNMKRVTYEQM-BFCCFQBASA-N 2 1 224.348 0.972 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000309646017 711659480 /nfs/dbraw/zinc/65/94/80/711659480.db2.gz MFRHOGXEXLBVKN-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396607643 711702739 /nfs/dbraw/zinc/70/27/39/711702739.db2.gz IZJPCZOCIHTJBU-WDEREUQCSA-N 2 1 227.352 0.633 20 0 BCADMP OCC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310321528 711704431 /nfs/dbraw/zinc/70/44/31/711704431.db2.gz UYCVYZUIKLBKCR-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310321528 711704432 /nfs/dbraw/zinc/70/44/32/711704432.db2.gz UYCVYZUIKLBKCR-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(N)=O ZINC000925604535 711704987 /nfs/dbraw/zinc/70/49/87/711704987.db2.gz LEEWPGSLEZUIKX-MRVPVSSYSA-N 2 1 213.325 0.228 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925688565 711709571 /nfs/dbraw/zinc/70/95/71/711709571.db2.gz DYIATZCXOKZHEW-HBNTYKKESA-N 2 1 212.337 0.878 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722149850 711712180 /nfs/dbraw/zinc/71/21/80/711712180.db2.gz OLMRIPAKNPOBNV-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000160045055 711805630 /nfs/dbraw/zinc/80/56/30/711805630.db2.gz BPVLKTUPKGWBOW-LLVKDONJSA-N 2 1 225.336 0.280 20 0 BCADMP CC(=O)N[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000160348018 711807315 /nfs/dbraw/zinc/80/73/15/711807315.db2.gz HMJTYBZJBGMYEB-LBPRGKRZSA-N 2 1 225.336 0.339 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000160348018 711807316 /nfs/dbraw/zinc/80/73/16/711807316.db2.gz HMJTYBZJBGMYEB-LBPRGKRZSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC(=O)N1 ZINC000386859480 711819660 /nfs/dbraw/zinc/81/96/60/711819660.db2.gz FFIKYNPERVMKOX-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC(=O)N1 ZINC000386859480 711819661 /nfs/dbraw/zinc/81/96/61/711819661.db2.gz FFIKYNPERVMKOX-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP COCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000046063019 711828802 /nfs/dbraw/zinc/82/88/02/711828802.db2.gz RZPVOTAHRWOOPJ-UHFFFAOYSA-N 2 1 241.379 0.346 20 0 BCADMP COC[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000721918711 711920054 /nfs/dbraw/zinc/92/00/54/711920054.db2.gz LLZOGXYBOYVJDF-STQMWFEESA-N 2 1 244.379 0.955 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226539957 711958158 /nfs/dbraw/zinc/95/81/58/711958158.db2.gz VYXREODAAHPIOT-PWSUYJOCSA-N 2 1 222.336 0.632 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044297410 711967224 /nfs/dbraw/zinc/96/72/24/711967224.db2.gz GYLJWJSDTMAHTF-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044297410 711967227 /nfs/dbraw/zinc/96/72/27/711967227.db2.gz GYLJWJSDTMAHTF-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033453813 711991999 /nfs/dbraw/zinc/99/19/99/711991999.db2.gz AAWYQHRIQYOHPA-NSHDSACASA-N 2 1 236.319 0.505 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000700894911 712010079 /nfs/dbraw/zinc/01/00/79/712010079.db2.gz UIYXQKLIKMVUII-NWDGAFQWSA-N 2 1 242.363 0.506 20 0 BCADMP COC(=O)N(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000701694179 712027750 /nfs/dbraw/zinc/02/77/50/712027750.db2.gz VNILOWRRUZUUII-VHSXEESVSA-N 2 1 229.324 0.415 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702307955 712044044 /nfs/dbraw/zinc/04/40/44/712044044.db2.gz QINIIITXUJFQLY-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702307955 712044046 /nfs/dbraw/zinc/04/40/46/712044046.db2.gz QINIIITXUJFQLY-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702307955 712044048 /nfs/dbraw/zinc/04/40/48/712044048.db2.gz QINIIITXUJFQLY-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702307955 712044050 /nfs/dbraw/zinc/04/40/50/712044050.db2.gz QINIIITXUJFQLY-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702621884 712056579 /nfs/dbraw/zinc/05/65/79/712056579.db2.gz CYXQKTJINRBHFO-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702621884 712056580 /nfs/dbraw/zinc/05/65/80/712056580.db2.gz CYXQKTJINRBHFO-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702627332 712057521 /nfs/dbraw/zinc/05/75/21/712057521.db2.gz YJUOIYHLAFUWLY-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702627332 712057522 /nfs/dbraw/zinc/05/75/22/712057522.db2.gz YJUOIYHLAFUWLY-TUAOUCFPSA-N 2 1 228.336 0.210 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703465458 712075919 /nfs/dbraw/zinc/07/59/19/712075919.db2.gz BRIBJTMYJMBQHG-VQXHTEKXSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[NH+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703585191 712079758 /nfs/dbraw/zinc/07/97/58/712079758.db2.gz ZZAGFOGWMIHKMZ-TXEJJXNPSA-N 2 1 211.353 0.750 20 0 BCADMP COC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705672252 712134954 /nfs/dbraw/zinc/13/49/54/712134954.db2.gz TUOWLQSKFWRSDS-JHJVBQTASA-N 2 1 242.363 0.267 20 0 BCADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567664 712150069 /nfs/dbraw/zinc/15/00/69/712150069.db2.gz AFPRHAMFSPIXGF-WDEREUQCSA-N 2 1 248.392 0.338 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCn1cccn1 ZINC000707363605 712169297 /nfs/dbraw/zinc/16/92/97/712169297.db2.gz NFCSSFYFLFYDDE-NEPJUHHUSA-N 2 1 222.336 0.670 20 0 BCADMP CC[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707891352 712172449 /nfs/dbraw/zinc/17/24/49/712172449.db2.gz CUBIMLVGOAXZBL-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707632844 712176489 /nfs/dbraw/zinc/17/64/89/712176489.db2.gz BOBQLYJNZPODSX-NEPJUHHUSA-N 2 1 210.321 0.851 20 0 BCADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707632844 712176487 /nfs/dbraw/zinc/17/64/87/712176487.db2.gz BOBQLYJNZPODSX-NEPJUHHUSA-N 2 1 210.321 0.851 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000709480572 712222618 /nfs/dbraw/zinc/22/26/18/712222618.db2.gz CSQMYBPDTUENQX-LBPRGKRZSA-N 2 1 240.347 0.966 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC1CC1)C2 ZINC000709838223 712229167 /nfs/dbraw/zinc/22/91/67/712229167.db2.gz TWOGJYMAPVEBDJ-SRVKXCTJSA-N 2 1 237.347 0.324 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC1CC1)C2 ZINC000709838223 712229169 /nfs/dbraw/zinc/22/91/69/712229169.db2.gz TWOGJYMAPVEBDJ-SRVKXCTJSA-N 2 1 237.347 0.324 20 0 BCADMP COC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710712921 712254919 /nfs/dbraw/zinc/25/49/19/712254919.db2.gz CVMMRURWUZILKD-SNVBAGLBSA-N 2 1 216.325 0.999 20 0 BCADMP Cn1nncc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710763764 712256092 /nfs/dbraw/zinc/25/60/92/712256092.db2.gz AYIHQOAKSLVYPR-UHFFFAOYSA-N 2 1 225.340 0.766 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000710986496 712271705 /nfs/dbraw/zinc/27/17/05/712271705.db2.gz DWIOMSVAGVPYDX-GFCCVEGCSA-N 2 1 240.347 0.989 20 0 BCADMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000711247920 712291478 /nfs/dbraw/zinc/29/14/78/712291478.db2.gz DPUQBSUKKQHNMH-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711473125 712303399 /nfs/dbraw/zinc/30/33/99/712303399.db2.gz XUGZLAIKHFYQKL-QWRGUYRKSA-N 2 1 218.316 0.590 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711473125 712303400 /nfs/dbraw/zinc/30/34/00/712303400.db2.gz XUGZLAIKHFYQKL-QWRGUYRKSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711473125 712303401 /nfs/dbraw/zinc/30/34/01/712303401.db2.gz XUGZLAIKHFYQKL-QWRGUYRKSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711473125 712303402 /nfs/dbraw/zinc/30/34/02/712303402.db2.gz XUGZLAIKHFYQKL-QWRGUYRKSA-N 2 1 218.316 0.590 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOC1CC1)C2 ZINC000711681396 712316898 /nfs/dbraw/zinc/31/68/98/712316898.db2.gz NYHQLWIMNMZQRX-AXFHLTTASA-N 2 1 210.321 0.977 20 0 BCADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC1CC1 ZINC000711764676 712327477 /nfs/dbraw/zinc/32/74/77/712327477.db2.gz FFTWNZRGAUBVKJ-GFCCVEGCSA-N 2 1 239.363 0.145 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480263 712334568 /nfs/dbraw/zinc/33/45/68/712334568.db2.gz HBJJNOKOLSQSMZ-NEPJUHHUSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000923480255 712334616 /nfs/dbraw/zinc/33/46/16/712334616.db2.gz HALWMBQWEAOOHL-JTQLQIEISA-N 2 1 241.314 0.418 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000923480255 712334618 /nfs/dbraw/zinc/33/46/18/712334618.db2.gz HALWMBQWEAOOHL-JTQLQIEISA-N 2 1 241.314 0.418 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000923480278 712334664 /nfs/dbraw/zinc/33/46/64/712334664.db2.gz WHNIRUNLTAUHJI-UTUOFQBUSA-N 3 1 211.353 0.785 20 0 BCADMP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479722 712334746 /nfs/dbraw/zinc/33/47/46/712334746.db2.gz SDGSEFQLCUXZQR-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000923480277 712334756 /nfs/dbraw/zinc/33/47/56/712334756.db2.gz WHNIRUNLTAUHJI-TUAOUCFPSA-N 3 1 211.353 0.785 20 0 BCADMP CON1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000323168862 712354907 /nfs/dbraw/zinc/35/49/07/712354907.db2.gz LWLTXCNSMMKJRH-UHFFFAOYSA-N 2 1 227.352 0.696 20 0 BCADMP CC[N@@H+](CCCCCC[NH3+])CC(=O)NC ZINC000379775225 712398520 /nfs/dbraw/zinc/39/85/20/712398520.db2.gz COQSOVBSEBPOQL-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CC[N@H+]1C ZINC000712611929 712437334 /nfs/dbraw/zinc/43/73/34/712437334.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667910 712439542 /nfs/dbraw/zinc/43/95/42/712439542.db2.gz DGMAZJONMBCECV-SNVBAGLBSA-N 2 1 227.352 0.666 20 0 BCADMP CNc1cc(NC[C@@H]2CC[N@H+]2C)ncn1 ZINC000712542220 712443337 /nfs/dbraw/zinc/44/33/37/712443337.db2.gz XOAPHBNVHLKCHL-QMMMGPOBSA-N 2 1 207.281 0.634 20 0 BCADMP CNc1cc(NC[C@@H]2CCN2C)ncn1 ZINC000712542220 712443339 /nfs/dbraw/zinc/44/33/39/712443339.db2.gz XOAPHBNVHLKCHL-QMMMGPOBSA-N 2 1 207.281 0.634 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCn1cnnn1 ZINC000712550428 712444518 /nfs/dbraw/zinc/44/45/18/712444518.db2.gz FZTPHRITHYIFSK-UHFFFAOYSA-N 2 1 226.328 0.124 20 0 BCADMP C[C@H]1CCC[N@@H+](CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574857 712448037 /nfs/dbraw/zinc/44/80/37/712448037.db2.gz DNJOXHMOKWJFBS-WDEREUQCSA-N 2 1 238.339 0.122 20 0 BCADMP CCC[N@@H+](CCn1cnnn1)C1CC[NH2+]CC1 ZINC000712574858 712448049 /nfs/dbraw/zinc/44/80/49/712448049.db2.gz DNXMCPMHYRJNPR-UHFFFAOYSA-N 2 1 238.339 0.137 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576967 712448347 /nfs/dbraw/zinc/44/83/47/712448347.db2.gz COHMWTPILNNNBQ-OLZOCXBDSA-N 2 1 241.379 0.127 20 0 BCADMP c1ncn(CC[N@@H+]2CC[NH2+]CCC23CCC3)n1 ZINC000713215120 712455329 /nfs/dbraw/zinc/45/53/29/712455329.db2.gz FQPWODCCYYWIJN-UHFFFAOYSA-N 2 1 235.335 0.496 20 0 BCADMP c1ncn(CC[N@H+]2CC[NH2+]CCC23CCC3)n1 ZINC000713215120 712455330 /nfs/dbraw/zinc/45/53/30/712455330.db2.gz FQPWODCCYYWIJN-UHFFFAOYSA-N 2 1 235.335 0.496 20 0 BCADMP C[N@@H+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000713225344 712455657 /nfs/dbraw/zinc/45/56/57/712455657.db2.gz LAJQDZDPDFZGAP-NRUUGDAUSA-N 2 1 237.347 0.324 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713583907 712466399 /nfs/dbraw/zinc/46/63/99/712466399.db2.gz BRIPYIYUQPHDBK-MNOVXSKESA-N 2 1 230.352 0.443 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713583907 712466401 /nfs/dbraw/zinc/46/64/01/712466401.db2.gz BRIPYIYUQPHDBK-MNOVXSKESA-N 2 1 230.352 0.443 20 0 BCADMP CCn1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nn1 ZINC000714426974 712486236 /nfs/dbraw/zinc/48/62/36/712486236.db2.gz JEZWFVQNFZWZTI-SNVBAGLBSA-N 2 1 237.351 0.857 20 0 BCADMP CCn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000714425431 712486350 /nfs/dbraw/zinc/48/63/50/712486350.db2.gz CYEYKUATGPFZTO-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCOC2=O)CC[C@H]1C[NH3+] ZINC000714537975 712494373 /nfs/dbraw/zinc/49/43/73/712494373.db2.gz WUDJOMJKBGNLHG-QWRGUYRKSA-N 2 1 241.335 0.355 20 0 BCADMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cn(C)nn1 ZINC000715840576 712533139 /nfs/dbraw/zinc/53/31/39/712533139.db2.gz YHXPYBCNFPKKOR-JTQLQIEISA-N 2 1 241.339 0.044 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn(C)nn1 ZINC000715926460 712542974 /nfs/dbraw/zinc/54/29/74/712542974.db2.gz GYXWYICKSDCECT-JTQLQIEISA-N 2 1 235.335 0.728 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn(C)nn1 ZINC000715926460 712542975 /nfs/dbraw/zinc/54/29/75/712542975.db2.gz GYXWYICKSDCECT-JTQLQIEISA-N 2 1 235.335 0.728 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn(C)nn1 ZINC000715926461 712543059 /nfs/dbraw/zinc/54/30/59/712543059.db2.gz GYXWYICKSDCECT-SNVBAGLBSA-N 2 1 235.335 0.728 20 0 BCADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn(C)nn1 ZINC000715926461 712543060 /nfs/dbraw/zinc/54/30/60/712543060.db2.gz GYXWYICKSDCECT-SNVBAGLBSA-N 2 1 235.335 0.728 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716293318 712553872 /nfs/dbraw/zinc/55/38/72/712553872.db2.gz KNSSGBNDGLHDEE-VXGBXAGGSA-N 2 1 242.363 0.587 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716293318 712553873 /nfs/dbraw/zinc/55/38/73/712553873.db2.gz KNSSGBNDGLHDEE-VXGBXAGGSA-N 2 1 242.363 0.587 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000818610788 712590139 /nfs/dbraw/zinc/59/01/39/712590139.db2.gz VLJFFZKMMBRXNF-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000717416375 712656876 /nfs/dbraw/zinc/65/68/76/712656876.db2.gz BCSRYHUPMREOIV-WYUUTHIRSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H](CO)C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717424172 712658120 /nfs/dbraw/zinc/65/81/20/712658120.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718011426 712735697 /nfs/dbraw/zinc/73/56/97/712735697.db2.gz NKYSIOLPGLLRLF-WOPDTQHZSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH2+]C1CC(CC(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000718499712 712767082 /nfs/dbraw/zinc/76/70/82/712767082.db2.gz UTFJHEFSCFBANP-HBIQZDMRSA-N 2 1 239.363 0.761 20 0 BCADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000719222295 712800288 /nfs/dbraw/zinc/80/02/88/712800288.db2.gz GUSFCEMPMJHUPL-YOGCLGLASA-N 2 1 209.337 0.422 20 0 BCADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719364741 712806242 /nfs/dbraw/zinc/80/62/42/712806242.db2.gz GSOXXUXUIXEJAH-IUCAKERBSA-N 2 1 221.308 0.872 20 0 BCADMP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)no1 ZINC000720352029 712833077 /nfs/dbraw/zinc/83/30/77/712833077.db2.gz NLLUXYNPUVNQKA-UHFFFAOYSA-N 2 1 239.319 0.529 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720808369 712867091 /nfs/dbraw/zinc/86/70/91/712867091.db2.gz WCKOWHCNDWYGGR-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCO)C[C@@H]1C(F)(F)F ZINC000720868390 712871855 /nfs/dbraw/zinc/87/18/55/712871855.db2.gz BBWAXBLSONSPSI-BQBZGAKWSA-N 2 1 212.215 0.048 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCO)C[C@@H]1C(F)(F)F ZINC000720868390 712871856 /nfs/dbraw/zinc/87/18/56/712871856.db2.gz BBWAXBLSONSPSI-BQBZGAKWSA-N 2 1 212.215 0.048 20 0 BCADMP COCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720871888 712872766 /nfs/dbraw/zinc/87/27/66/712872766.db2.gz MSPBVRRTILOCAD-SFYZADRCSA-N 2 1 226.242 0.702 20 0 BCADMP COCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720871888 712872767 /nfs/dbraw/zinc/87/27/67/712872767.db2.gz MSPBVRRTILOCAD-SFYZADRCSA-N 2 1 226.242 0.702 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720888201 712874193 /nfs/dbraw/zinc/87/41/93/712874193.db2.gz MHRJRNGKPGXDPE-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903827 712874872 /nfs/dbraw/zinc/87/48/72/712874872.db2.gz VVXRJURUSZHLFI-UTUOFQBUSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903798 712875189 /nfs/dbraw/zinc/87/51/89/712875189.db2.gz VVXRJURUSZHLFI-SDDRHHMPSA-N 2 1 237.347 0.434 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCOCC[NH3+] ZINC000720890341 712875240 /nfs/dbraw/zinc/87/52/40/712875240.db2.gz LRGLTITZKCHIPW-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCOCC[NH3+] ZINC000720890341 712875242 /nfs/dbraw/zinc/87/52/42/712875242.db2.gz LRGLTITZKCHIPW-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCOCC[NH3+] ZINC000720890341 712875243 /nfs/dbraw/zinc/87/52/43/712875243.db2.gz LRGLTITZKCHIPW-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890770 712875252 /nfs/dbraw/zinc/87/52/52/712875252.db2.gz UEEVYSPVVMPREQ-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901801 712875976 /nfs/dbraw/zinc/87/59/76/712875976.db2.gz UBXZSLODRCYKRK-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000720904154 712877310 /nfs/dbraw/zinc/87/73/10/712877310.db2.gz YZZQTVNSDLHGOC-JHJVBQTASA-N 2 1 239.363 0.143 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000720904160 712877398 /nfs/dbraw/zinc/87/73/98/712877398.db2.gz YZZQTVNSDLHGOC-YNEHKIRRSA-N 2 1 239.363 0.143 20 0 BCADMP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932977 712880067 /nfs/dbraw/zinc/88/00/67/712880067.db2.gz YVPIOFHKKYITSK-SRVKXCTJSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932977 712880068 /nfs/dbraw/zinc/88/00/68/712880068.db2.gz YVPIOFHKKYITSK-SRVKXCTJSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1C ZINC000720956339 712882711 /nfs/dbraw/zinc/88/27/11/712882711.db2.gz IMDQSPQNGIAMSO-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000721040388 712887717 /nfs/dbraw/zinc/88/77/17/712887717.db2.gz RWLODIWXOYCVLB-JFGNBEQYSA-N 2 1 225.336 0.039 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000721040540 712888559 /nfs/dbraw/zinc/88/85/59/712888559.db2.gz VYXLACXRVAEJHP-OUAUKWLOSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000721040540 712888560 /nfs/dbraw/zinc/88/85/60/712888560.db2.gz VYXLACXRVAEJHP-OUAUKWLOSA-N 2 1 225.336 0.182 20 0 BCADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000721156035 712892640 /nfs/dbraw/zinc/89/26/40/712892640.db2.gz ZFDQQNSVNZZZLE-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1CN(c2ncc3c(n2)C[NH2+]C3)[C@@H](C)C[N@H+]1C ZINC001164642417 719196070 /nfs/dbraw/zinc/19/60/70/719196070.db2.gz YFCBIVKYQAWKRZ-ZJUUUORDSA-N 2 1 247.346 0.609 20 0 BCADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000418329943 192025393 /nfs/dbraw/zinc/02/53/93/192025393.db2.gz OWGSHRXZAWEJAT-NSHDSACASA-N 2 1 242.367 0.187 20 0 BCADMP C[C@@H](CNC(N)=[NH2+])[N@H+](C)Cc1ccccc1 ZINC000264893405 398139324 /nfs/dbraw/zinc/13/93/24/398139324.db2.gz WNSDLQGKVAMIDL-JTQLQIEISA-N 2 1 220.320 0.990 20 0 BCADMP C[C@@H](CNC(N)=[NH2+])[N@@H+](C)Cc1ccccc1 ZINC000264893405 398139325 /nfs/dbraw/zinc/13/93/25/398139325.db2.gz WNSDLQGKVAMIDL-JTQLQIEISA-N 2 1 220.320 0.990 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CC1(C)C ZINC000572420253 398141931 /nfs/dbraw/zinc/14/19/31/398141931.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 1 244.379 0.656 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CC1(C)C ZINC000572420253 398141933 /nfs/dbraw/zinc/14/19/33/398141933.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 1 244.379 0.656 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000228765595 168321780 /nfs/dbraw/zinc/32/17/80/168321780.db2.gz UJFYOUZFAOZJDT-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000228765595 168321783 /nfs/dbraw/zinc/32/17/83/168321783.db2.gz UJFYOUZFAOZJDT-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000161567040 349473671 /nfs/dbraw/zinc/47/36/71/349473671.db2.gz MCNNNBBLNLQEJE-NEPJUHHUSA-N 2 1 222.336 0.813 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000257789464 349483482 /nfs/dbraw/zinc/48/34/82/349483482.db2.gz XAFPYIGTJVFJDR-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000335035994 136214815 /nfs/dbraw/zinc/21/48/15/136214815.db2.gz GNJTUMVDNWXLBN-WDEREUQCSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@H+]1C ZINC000649333370 398149871 /nfs/dbraw/zinc/14/98/71/398149871.db2.gz PHKGJGFXJPZLFN-OOCWMUITSA-N 2 1 237.347 0.336 20 0 BCADMP COC[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000389980045 398154706 /nfs/dbraw/zinc/15/47/06/398154706.db2.gz IAJMJMHSFMYLDI-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000649341517 398157500 /nfs/dbraw/zinc/15/75/00/398157500.db2.gz CJGWFILFTUGRTA-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000649341514 398157623 /nfs/dbraw/zinc/15/76/23/398157623.db2.gz CJGWFILFTUGRTA-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000422907859 398157881 /nfs/dbraw/zinc/15/78/81/398157881.db2.gz LPJAGOMVYMGPRI-WCQYABFASA-N 2 1 236.363 0.940 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359849 398172655 /nfs/dbraw/zinc/17/26/55/398172655.db2.gz FPZNKMCNEUWCFK-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359848 398172751 /nfs/dbraw/zinc/17/27/51/398172751.db2.gz FPZNKMCNEUWCFK-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@@H+](CCC[NH3+])CCOC[C@@H]1CCCO1 ZINC000390429441 398173452 /nfs/dbraw/zinc/17/34/52/398173452.db2.gz OHXFHJHDDHWNSO-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+](C)C ZINC000649364486 398176897 /nfs/dbraw/zinc/17/68/97/398176897.db2.gz LJONYXLZOZORDP-ONGXEEELSA-N 2 1 231.315 0.097 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@H+]1C1CC1 ZINC000649348146 398161437 /nfs/dbraw/zinc/16/14/37/398161437.db2.gz AEBNGQIYOWIDST-ZDHGETPDSA-N 2 1 249.358 0.478 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423233148 398165252 /nfs/dbraw/zinc/16/52/52/398165252.db2.gz JFTHLJNJHFHPSW-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000385812781 398189413 /nfs/dbraw/zinc/18/94/13/398189413.db2.gz ZOHRWSPHWXQPFA-QWHCGFSZSA-N 2 1 249.362 0.742 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000385812781 398189417 /nfs/dbraw/zinc/18/94/17/398189417.db2.gz ZOHRWSPHWXQPFA-QWHCGFSZSA-N 2 1 249.362 0.742 20 0 BCADMP CC(C)(C[NH3+])NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331763281 187326380 /nfs/dbraw/zinc/32/63/80/187326380.db2.gz KURRNYLHZLTLMI-VIFPVBQESA-N 2 1 240.351 0.260 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270927 365543464 /nfs/dbraw/zinc/54/34/64/365543464.db2.gz LZQFZYBXACKWIQ-QJPTWQEYSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270928 365543588 /nfs/dbraw/zinc/54/35/88/365543588.db2.gz LZQFZYBXACKWIQ-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP CN(CCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000649409660 398209454 /nfs/dbraw/zinc/20/94/54/398209454.db2.gz KXMZCEFBHRIVMB-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N(C)C ZINC000576280345 365549901 /nfs/dbraw/zinc/54/99/01/365549901.db2.gz NFYKZVIHNQHGAZ-LLVKDONJSA-N 2 1 215.341 0.428 20 0 BCADMP CCC[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436731 398207570 /nfs/dbraw/zinc/20/75/70/398207570.db2.gz MCLCXVVEDZLVMN-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP Cc1noc(CCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346686 365572215 /nfs/dbraw/zinc/57/22/15/365572215.db2.gz VNBGPJQGKZHYHM-GXSJLCMTSA-N 2 1 238.335 0.980 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386721218 398218221 /nfs/dbraw/zinc/21/82/21/398218221.db2.gz YGRZXBLVNAZPMD-BETUJISGSA-N 2 1 248.374 0.894 20 0 BCADMP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[N@H+]1C ZINC000576361081 365578887 /nfs/dbraw/zinc/57/88/87/365578887.db2.gz MMLJVUSBFHDLNO-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(C)[nH+]1 ZINC000133031899 178167186 /nfs/dbraw/zinc/16/71/86/178167186.db2.gz KCUOWKBWWAABBE-GFCCVEGCSA-N 2 1 238.335 0.818 20 0 BCADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)O ZINC000386841604 398221107 /nfs/dbraw/zinc/22/11/07/398221107.db2.gz AZNNXYOLZSAROI-ZJUUUORDSA-N 2 1 212.337 0.972 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417449552 398223626 /nfs/dbraw/zinc/22/36/26/398223626.db2.gz YCIVKVGEPPCEAZ-AXFHLTTASA-N 2 1 244.383 0.752 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN1CCCC1=O ZINC000430564857 398227544 /nfs/dbraw/zinc/22/75/44/398227544.db2.gz CWSIHZPGTXAPKX-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563908 398227672 /nfs/dbraw/zinc/22/76/72/398227672.db2.gz XYRDOUNNWFLZOS-KOLCDFICSA-N 2 1 248.392 0.384 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132956746 398229924 /nfs/dbraw/zinc/22/99/24/398229924.db2.gz NHOBNWLZICSKHF-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000418398922 192033243 /nfs/dbraw/zinc/03/32/43/192033243.db2.gz WQXMPVFMXLMBQW-NSHDSACASA-N 2 1 242.367 0.189 20 0 BCADMP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334317552 136225300 /nfs/dbraw/zinc/22/53/00/136225300.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1C)C1CCC1 ZINC000629952643 361797413 /nfs/dbraw/zinc/79/74/13/361797413.db2.gz PZLNEEOZSDRHEG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000629952643 361797420 /nfs/dbraw/zinc/79/74/20/361797420.db2.gz PZLNEEOZSDRHEG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000629952643 361797427 /nfs/dbraw/zinc/79/74/27/361797427.db2.gz PZLNEEOZSDRHEG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+](CCNC(=O)CCc1cnc[nH]1)C1CC1 ZINC000280706143 538937748 /nfs/dbraw/zinc/93/77/48/538937748.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 2 1 236.319 0.553 20 0 BCADMP C[N@@H+](CCNC(=O)CCc1cnc[nH]1)C1CC1 ZINC000280706143 538937749 /nfs/dbraw/zinc/93/77/49/538937749.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 2 1 236.319 0.553 20 0 BCADMP C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629943588 361788029 /nfs/dbraw/zinc/78/80/29/361788029.db2.gz QUBMEJBHTAQYCR-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000576475406 365605344 /nfs/dbraw/zinc/60/53/44/365605344.db2.gz CXDOKPIRPDBRGQ-AGIUHOORSA-N 2 1 243.395 0.323 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308674 398253273 /nfs/dbraw/zinc/25/32/73/398253273.db2.gz KSRCJIBGGUUIIQ-GHMZBOCLSA-N 3 1 215.341 0.021 20 0 BCADMP CC[C@@H]1CN(CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308674 398253274 /nfs/dbraw/zinc/25/32/74/398253274.db2.gz KSRCJIBGGUUIIQ-GHMZBOCLSA-N 2 1 215.341 0.021 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000576707467 365665468 /nfs/dbraw/zinc/66/54/68/365665468.db2.gz PHUUBPDOMUWFTJ-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+][C@@H](C)c1cn(CCn2cc[nH+]c2C)nn1 ZINC000384074986 398258840 /nfs/dbraw/zinc/25/88/40/398258840.db2.gz RPHSUBZLLOIAMC-VIFPVBQESA-N 2 1 234.307 0.764 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381603471 398266452 /nfs/dbraw/zinc/26/64/52/398266452.db2.gz OVTDLFWDNXOODW-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP COC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963999 346828671 /nfs/dbraw/zinc/82/86/71/346828671.db2.gz NOKSZMHZIMYDEX-CYBMUJFWSA-N 2 1 243.395 0.591 20 0 BCADMP CCC[C@]1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCOC1 ZINC000378841473 346842702 /nfs/dbraw/zinc/84/27/02/346842702.db2.gz PJALDXIGLNJGDW-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400399426 529378453 /nfs/dbraw/zinc/37/84/53/529378453.db2.gz PJURWBWCSVZRIM-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131905065 342698120 /nfs/dbraw/zinc/69/81/20/342698120.db2.gz YVVKFKHTXLOPTN-KXUCPTDWSA-N 2 1 243.376 0.235 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165422724 361841109 /nfs/dbraw/zinc/84/11/09/361841109.db2.gz OFOAUTAFIAEXLA-RKDXNWHRSA-N 2 1 201.314 0.038 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742432 342746007 /nfs/dbraw/zinc/74/60/07/342746007.db2.gz DZAVOMHXKHOWIH-OUAUKWLOSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418508333 192045057 /nfs/dbraw/zinc/04/50/57/192045057.db2.gz DPUFECLRWPZDSB-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH+](C)C ZINC000630006127 361896661 /nfs/dbraw/zinc/89/66/61/361896661.db2.gz FHQVSBNXKSEBEA-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438630 398288228 /nfs/dbraw/zinc/28/82/28/398288228.db2.gz TUYJVEMXPNLSOC-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418511904 192045641 /nfs/dbraw/zinc/04/56/41/192045641.db2.gz DYJBSZSCBFKWFC-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[N@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000085545442 398288600 /nfs/dbraw/zinc/28/86/00/398288600.db2.gz AKTNEBROYYVSLG-UHFFFAOYSA-N 2 1 242.348 0.283 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000085545442 398288602 /nfs/dbraw/zinc/28/86/02/398288602.db2.gz AKTNEBROYYVSLG-UHFFFAOYSA-N 2 1 242.348 0.283 20 0 BCADMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624774001 342827371 /nfs/dbraw/zinc/82/73/71/342827371.db2.gz MJQFWWKVBSWFGS-LBPRGKRZSA-N 2 1 221.304 0.290 20 0 BCADMP C[C@@H]1CN(C(=O)NCCC[NH3+])C[C@H](C)[N@@H+]1C ZINC000335623716 136240306 /nfs/dbraw/zinc/24/03/06/136240306.db2.gz VUXPMPNLJCIHFO-AOOOYVTPSA-N 2 1 228.340 0.069 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379894629 538980898 /nfs/dbraw/zinc/98/08/98/538980898.db2.gz BWGWBMQPQVPWEE-LLVKDONJSA-N 2 1 213.325 0.135 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000189323792 538982099 /nfs/dbraw/zinc/98/20/99/538982099.db2.gz JGVRPWHQPHMUKD-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)CC[N@H+]1C ZINC000381756935 539007028 /nfs/dbraw/zinc/00/70/28/539007028.db2.gz GGWMMLGLFQDSCO-NEPJUHHUSA-N 2 1 237.351 0.741 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322380578 488182602 /nfs/dbraw/zinc/18/26/02/488182602.db2.gz MZLFWYLLTXOONB-QUDJTUOCSA-N 2 1 239.363 0.711 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000381401059 539000022 /nfs/dbraw/zinc/00/00/22/539000022.db2.gz AGEXZLNUILGZFT-MNOVXSKESA-N 2 1 223.320 0.712 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000390761722 539027349 /nfs/dbraw/zinc/02/73/49/539027349.db2.gz NIBWTCUDPOUTBW-GFCCVEGCSA-N 2 1 244.404 0.928 20 0 BCADMP c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082425216 259323247 /nfs/dbraw/zinc/32/32/47/259323247.db2.gz NJEDZLFHTZHPLT-QWRGUYRKSA-N 2 1 203.289 0.733 20 0 BCADMP OC1CC[NH+](CCC[NH2+]C2CSC2)CC1 ZINC000389945966 539019114 /nfs/dbraw/zinc/01/91/14/539019114.db2.gz QQQKJVDTDTWNJG-UHFFFAOYSA-N 2 1 230.377 0.538 20 0 BCADMP CCO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096995 342852008 /nfs/dbraw/zinc/85/20/08/342852008.db2.gz IBHZEOMKLHLXTG-FRRDWIJNSA-N 2 1 224.348 0.953 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000639489103 398317176 /nfs/dbraw/zinc/31/71/76/398317176.db2.gz MZTNGMPZFNJAIP-LBPRGKRZSA-N 2 1 234.347 0.903 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cnccn2)C1 ZINC000639489103 398317179 /nfs/dbraw/zinc/31/71/79/398317179.db2.gz MZTNGMPZFNJAIP-LBPRGKRZSA-N 2 1 234.347 0.903 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418560946 192051015 /nfs/dbraw/zinc/05/10/15/192051015.db2.gz DPUFECLRWPZDSB-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482576 342937628 /nfs/dbraw/zinc/93/76/28/342937628.db2.gz QNJKWWFIGSFLLL-GFCCVEGCSA-N 2 1 213.369 0.870 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418609743 192055661 /nfs/dbraw/zinc/05/56/61/192055661.db2.gz DYJBSZSCBFKWFC-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP CCCCOCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357382 259333800 /nfs/dbraw/zinc/33/38/00/259333800.db2.gz RJZBZEOGGYEKEQ-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP CCCCOCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357382 259333802 /nfs/dbraw/zinc/33/38/02/259333802.db2.gz RJZBZEOGGYEKEQ-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP CSC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580314449 346897225 /nfs/dbraw/zinc/89/72/25/346897225.db2.gz SQMSBNYJMSNCSP-CMPLNLGQSA-N 2 1 244.404 0.784 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503550 346903554 /nfs/dbraw/zinc/90/35/54/346903554.db2.gz GHTHKXZUQYQZOI-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000351849743 136257902 /nfs/dbraw/zinc/25/79/02/136257902.db2.gz HAWZFJMUTOTTTH-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC000354155812 187210319 /nfs/dbraw/zinc/21/03/19/187210319.db2.gz REXGMIJNLXYTAR-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000354155812 187210321 /nfs/dbraw/zinc/21/03/21/187210321.db2.gz REXGMIJNLXYTAR-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000354155812 187210322 /nfs/dbraw/zinc/21/03/22/187210322.db2.gz REXGMIJNLXYTAR-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC000354155813 187210668 /nfs/dbraw/zinc/21/06/68/187210668.db2.gz REXGMIJNLXYTAR-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000354155813 187210670 /nfs/dbraw/zinc/21/06/70/187210670.db2.gz REXGMIJNLXYTAR-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000354155813 187210671 /nfs/dbraw/zinc/21/06/71/187210671.db2.gz REXGMIJNLXYTAR-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000351849742 136257525 /nfs/dbraw/zinc/25/75/25/136257525.db2.gz HAWZFJMUTOTTTH-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000037887208 342992340 /nfs/dbraw/zinc/99/23/40/342992340.db2.gz CZYMHFHLJDNFLP-WDEREUQCSA-N 2 1 202.342 0.933 20 0 BCADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000394087009 259337175 /nfs/dbraw/zinc/33/71/75/259337175.db2.gz VRMGZFLUZMBYOG-NWDGAFQWSA-N 2 1 213.369 0.914 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1OC ZINC000234852705 259340139 /nfs/dbraw/zinc/34/01/39/259340139.db2.gz CCDAAYUFQMJVBN-ZDEQEGDKSA-N 2 1 242.363 0.720 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368704029 187220617 /nfs/dbraw/zinc/22/06/17/187220617.db2.gz MTUYSEYHJLCXFH-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177058195 346922007 /nfs/dbraw/zinc/92/20/07/346922007.db2.gz LRWMWUZCUACGDS-AAEUAGOBSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177058195 346922009 /nfs/dbraw/zinc/92/20/09/346922009.db2.gz LRWMWUZCUACGDS-AAEUAGOBSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058195 346922013 /nfs/dbraw/zinc/92/20/13/346922013.db2.gz LRWMWUZCUACGDS-AAEUAGOBSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058195 346922019 /nfs/dbraw/zinc/92/20/19/346922019.db2.gz LRWMWUZCUACGDS-AAEUAGOBSA-N 2 1 241.379 0.927 20 0 BCADMP [NH3+]Cc1nc(COc2ccc(C[NH3+])cc2)no1 ZINC000580774261 365704019 /nfs/dbraw/zinc/70/40/19/365704019.db2.gz OJCCTAJKILOGAZ-UHFFFAOYSA-N 2 1 234.259 0.566 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181470077 259346463 /nfs/dbraw/zinc/34/64/63/259346463.db2.gz FEESBNFNPSEQTP-NXEZZACHSA-N 2 1 241.335 0.509 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181470077 259346464 /nfs/dbraw/zinc/34/64/64/259346464.db2.gz FEESBNFNPSEQTP-NXEZZACHSA-N 2 1 241.335 0.509 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237049559 343121986 /nfs/dbraw/zinc/12/19/86/343121986.db2.gz HMZYIDYEKRSSII-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352495058 187233021 /nfs/dbraw/zinc/23/30/21/187233021.db2.gz IHAJKOKABQRDMJ-RYUDHWBXSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000092954975 343149792 /nfs/dbraw/zinc/14/97/92/343149792.db2.gz XIYADQBBJUTHQC-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000092954974 343149898 /nfs/dbraw/zinc/14/98/98/343149898.db2.gz XIYADQBBJUTHQC-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000576944039 365728452 /nfs/dbraw/zinc/72/84/52/365728452.db2.gz QFPCEEPIBBXHGP-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000357038847 187243659 /nfs/dbraw/zinc/24/36/59/187243659.db2.gz ACXJBHZRHXXJBG-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCOCC1 ZINC000133615191 343185621 /nfs/dbraw/zinc/18/56/21/343185621.db2.gz NBGRMQFBHCHYAC-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627655847 343214421 /nfs/dbraw/zinc/21/44/21/343214421.db2.gz KHWUNBMUEHNNHR-PJXYFTJBSA-N 2 1 248.330 0.210 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400370508 529694817 /nfs/dbraw/zinc/69/48/17/529694817.db2.gz GRDBTTXUWAHQGC-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400370505 529694967 /nfs/dbraw/zinc/69/49/67/529694967.db2.gz GRDBTTXUWAHQGC-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398068502 488206863 /nfs/dbraw/zinc/20/68/63/488206863.db2.gz DYJLPMCXWOBVKP-LLVKDONJSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccnn1C ZINC000634687345 343241265 /nfs/dbraw/zinc/24/12/65/343241265.db2.gz IBBVGLIQHHYFJW-LBPRGKRZSA-N 2 1 224.352 0.926 20 0 BCADMP Cn1nccc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000634688073 343247146 /nfs/dbraw/zinc/24/71/46/343247146.db2.gz HJQYGSQMNPJPIF-UHFFFAOYSA-N 2 1 234.347 0.791 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH+]2CCC([NH2+]CCO)CC2)O1 ZINC000634688537 343249040 /nfs/dbraw/zinc/24/90/40/343249040.db2.gz VUXJBJRJYJXVQV-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000634688589 343249093 /nfs/dbraw/zinc/24/90/93/343249093.db2.gz XAZAZEZELMXZQU-VXGBXAGGSA-N 2 1 230.352 0.722 20 0 BCADMP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)C1C[NH2+]C1 ZINC000164300840 136291841 /nfs/dbraw/zinc/29/18/41/136291841.db2.gz TWVRTBSGVCFHEN-JTQLQIEISA-N 2 1 237.347 0.149 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616954 343334058 /nfs/dbraw/zinc/33/40/58/343334058.db2.gz ZRTGNIQWHZNXLW-LLVKDONJSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+][C@@H](C)CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335619754 136296850 /nfs/dbraw/zinc/29/68/50/136296850.db2.gz SJHXIKQXDUKOTC-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616955 343334309 /nfs/dbraw/zinc/33/43/09/343334309.db2.gz ZRTGNIQWHZNXLW-NSHDSACASA-N 2 1 212.337 0.954 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@@H+](C)C1CC1 ZINC000069840279 343292767 /nfs/dbraw/zinc/29/27/67/343292767.db2.gz WCJPFNHLONEAKM-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285589 136292911 /nfs/dbraw/zinc/29/29/11/136292911.db2.gz MOAWKLNDWUCICO-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000166233229 136316089 /nfs/dbraw/zinc/31/60/89/136316089.db2.gz FEYQDMAXCBOPPC-GFCCVEGCSA-N 2 1 211.353 0.624 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000335665412 136316447 /nfs/dbraw/zinc/31/64/47/136316447.db2.gz ZBWHMTIMGYZCKI-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000335665412 136316448 /nfs/dbraw/zinc/31/64/48/136316448.db2.gz ZBWHMTIMGYZCKI-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000335665412 136316449 /nfs/dbraw/zinc/31/64/49/136316449.db2.gz ZBWHMTIMGYZCKI-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084889 136322747 /nfs/dbraw/zinc/32/27/47/136322747.db2.gz ZKFCCEJRKDYNNV-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC ZINC000349142047 136324192 /nfs/dbraw/zinc/32/41/92/136324192.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000349142047 136324193 /nfs/dbraw/zinc/32/41/93/136324193.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000349142047 136324194 /nfs/dbraw/zinc/32/41/94/136324194.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000166322352 136344495 /nfs/dbraw/zinc/34/44/95/136344495.db2.gz HVYSWSRDPVGHDG-LLVKDONJSA-N 2 1 200.326 0.940 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000082419863 343440752 /nfs/dbraw/zinc/44/07/52/343440752.db2.gz VRLADSUTZSUZFZ-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335718448 136340401 /nfs/dbraw/zinc/34/04/01/136340401.db2.gz JTWXPUXKMXZDHF-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435637 /nfs/dbraw/zinc/43/56/37/343435637.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435638 /nfs/dbraw/zinc/43/56/38/343435638.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435640 /nfs/dbraw/zinc/43/56/40/343435640.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435641 /nfs/dbraw/zinc/43/56/41/343435641.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355280 343461927 /nfs/dbraw/zinc/46/19/27/343461927.db2.gz IEFOZWVKXOVJDM-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355280 343461929 /nfs/dbraw/zinc/46/19/29/343461929.db2.gz IEFOZWVKXOVJDM-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355280 343461931 /nfs/dbraw/zinc/46/19/31/343461931.db2.gz IEFOZWVKXOVJDM-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310355280 343461933 /nfs/dbraw/zinc/46/19/33/343461933.db2.gz IEFOZWVKXOVJDM-NWDGAFQWSA-N 2 1 244.379 0.392 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000310389028 343469730 /nfs/dbraw/zinc/46/97/30/343469730.db2.gz KQEFSVGEGNQTPK-IJLUTSLNSA-N 2 1 242.363 0.191 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000310389028 343469734 /nfs/dbraw/zinc/46/97/34/343469734.db2.gz KQEFSVGEGNQTPK-IJLUTSLNSA-N 2 1 242.363 0.191 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@H]1C ZINC000310486446 343509591 /nfs/dbraw/zinc/50/95/91/343509591.db2.gz DZZIUBSZTOJVJC-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000310486446 343509593 /nfs/dbraw/zinc/50/95/93/343509593.db2.gz DZZIUBSZTOJVJC-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000310486446 343509594 /nfs/dbraw/zinc/50/95/94/343509594.db2.gz DZZIUBSZTOJVJC-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000568167174 343558606 /nfs/dbraw/zinc/55/86/06/343558606.db2.gz BCJBSQWRKZSZPW-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000568167174 343558608 /nfs/dbraw/zinc/55/86/08/343558608.db2.gz BCJBSQWRKZSZPW-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000568167174 343558610 /nfs/dbraw/zinc/55/86/10/343558610.db2.gz BCJBSQWRKZSZPW-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000568167174 343558612 /nfs/dbraw/zinc/55/86/12/343558612.db2.gz BCJBSQWRKZSZPW-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000518770427 259366164 /nfs/dbraw/zinc/36/61/64/259366164.db2.gz SUWLGPXICROMGP-NAGRZINJSA-N 2 1 242.363 0.358 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000518770427 259366166 /nfs/dbraw/zinc/36/61/66/259366166.db2.gz SUWLGPXICROMGP-NAGRZINJSA-N 2 1 242.363 0.358 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000618193845 343603272 /nfs/dbraw/zinc/60/32/72/343603272.db2.gz GPNXUJYHSTXJHD-LLVKDONJSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[C@H](C)[NH3+] ZINC000418716275 192064042 /nfs/dbraw/zinc/06/40/42/192064042.db2.gz ZPNLXBJHWZEMLB-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@@H+](CC(C)C)C[C@H](O)CN(C)CCOC ZINC000380121661 343681150 /nfs/dbraw/zinc/68/11/50/343681150.db2.gz BVPGSOUOQNHHQM-CYBMUJFWSA-N 2 1 246.395 0.903 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154647146 343730547 /nfs/dbraw/zinc/73/05/47/343730547.db2.gz PFSYGRSLUYRXRX-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000584182633 343770895 /nfs/dbraw/zinc/77/08/95/343770895.db2.gz HDXINIZEBLBCIF-IJLUTSLNSA-N 3 1 211.353 0.988 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418727627 192065500 /nfs/dbraw/zinc/06/55/00/192065500.db2.gz MNIRVVMTOYMCAC-NSHDSACASA-N 2 1 240.351 0.285 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000594869857 537826347 /nfs/dbraw/zinc/82/63/47/537826347.db2.gz ARCMPHYGUZWYND-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000594869857 537826363 /nfs/dbraw/zinc/82/63/63/537826363.db2.gz ARCMPHYGUZWYND-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000594869857 537826374 /nfs/dbraw/zinc/82/63/74/537826374.db2.gz ARCMPHYGUZWYND-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000381044637 343886387 /nfs/dbraw/zinc/88/63/87/343886387.db2.gz GVCPYUCEAUAMPV-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000381044637 343886390 /nfs/dbraw/zinc/88/63/90/343886390.db2.gz GVCPYUCEAUAMPV-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000381044637 343886392 /nfs/dbraw/zinc/88/63/92/343886392.db2.gz GVCPYUCEAUAMPV-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044752377 187354299 /nfs/dbraw/zinc/35/42/99/187354299.db2.gz JEJHJKADJAQLKB-VIFPVBQESA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](CCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381070510 343932843 /nfs/dbraw/zinc/93/28/43/343932843.db2.gz ODIMCRQERBDLPT-JQWIXIFHSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H](CCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381070510 343932847 /nfs/dbraw/zinc/93/28/47/343932847.db2.gz ODIMCRQERBDLPT-JQWIXIFHSA-N 2 1 230.352 0.050 20 0 BCADMP COCCN(C)C[C@H](O)C[N@@H+](C)C1CCC1 ZINC000381100274 343973584 /nfs/dbraw/zinc/97/35/84/343973584.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1(C)COC1)C1CC1 ZINC000625790221 344077090 /nfs/dbraw/zinc/07/70/90/344077090.db2.gz CFXAHDRUQHOZOO-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1(C)COC1)C1CC1 ZINC000625790221 344077092 /nfs/dbraw/zinc/07/70/92/344077092.db2.gz CFXAHDRUQHOZOO-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1(C)COC1 ZINC000625790221 344077094 /nfs/dbraw/zinc/07/70/94/344077094.db2.gz CFXAHDRUQHOZOO-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1(C)COC1 ZINC000625790221 344077095 /nfs/dbraw/zinc/07/70/95/344077095.db2.gz CFXAHDRUQHOZOO-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000130509676 344143581 /nfs/dbraw/zinc/14/35/81/344143581.db2.gz LUXVWMSKEUONJL-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000130463689 344222108 /nfs/dbraw/zinc/22/21/08/344222108.db2.gz BHULJQABRSTKKV-PSASIEDQSA-N 2 1 213.325 0.323 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768454 344280609 /nfs/dbraw/zinc/28/06/09/344280609.db2.gz KYOQMKVMWKJPNQ-YPMHNXCESA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092137588 344289125 /nfs/dbraw/zinc/28/91/25/344289125.db2.gz MRXVSVFPOYNPPK-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000600709055 344361104 /nfs/dbraw/zinc/36/11/04/344361104.db2.gz NXFOCDQSEJAQLA-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CC)C[C@H]1O ZINC000400090025 344302095 /nfs/dbraw/zinc/30/20/95/344302095.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)C[C@H]1O ZINC000400090025 344302096 /nfs/dbraw/zinc/30/20/96/344302096.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@H]1O ZINC000400090025 344302098 /nfs/dbraw/zinc/30/20/98/344302098.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@H]1O ZINC000400090025 344302100 /nfs/dbraw/zinc/30/21/00/344302100.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@H]1O ZINC000400090025 344302101 /nfs/dbraw/zinc/30/21/01/344302101.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@H]1O ZINC000400090025 344302102 /nfs/dbraw/zinc/30/21/02/344302102.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000132465890 344302792 /nfs/dbraw/zinc/30/27/92/344302792.db2.gz VYZOMKQLDFAXDU-YEJSDXFRSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000584287442 344421288 /nfs/dbraw/zinc/42/12/88/344421288.db2.gz KSTCZAMLCOUTKU-GARJFASQSA-N 2 1 212.337 0.996 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000584287441 344421635 /nfs/dbraw/zinc/42/16/35/344421635.db2.gz KSTCZAMLCOUTKU-DCAQKATOSA-N 2 1 212.337 0.996 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000236824883 344406774 /nfs/dbraw/zinc/40/67/74/344406774.db2.gz HIUDLVAMUBRFBU-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCCCC1 ZINC000042492699 344455192 /nfs/dbraw/zinc/45/51/92/344455192.db2.gz RZHZBNNOUGMLQL-NSHDSACASA-N 2 1 200.326 0.818 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000236909862 344455267 /nfs/dbraw/zinc/45/52/67/344455267.db2.gz SYUQBVVIFZDXEF-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000132445691 344459778 /nfs/dbraw/zinc/45/97/78/344459778.db2.gz GCYWPJUNKJSZJX-JOYOIKCWSA-N 2 1 249.314 0.255 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCC(=O)OC)CC1 ZINC000042680398 344461984 /nfs/dbraw/zinc/46/19/84/344461984.db2.gz LZGHHCLZHCNSOJ-UHFFFAOYSA-N 2 1 228.336 0.966 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)OC)CC1 ZINC000042680398 344461988 /nfs/dbraw/zinc/46/19/88/344461988.db2.gz LZGHHCLZHCNSOJ-UHFFFAOYSA-N 2 1 228.336 0.966 20 0 BCADMP Cc1ccncc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000381173660 344482381 /nfs/dbraw/zinc/48/23/81/344482381.db2.gz MSNLBGQMSBDUCO-AWEZNQCLSA-N 2 1 249.358 0.935 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000037477585 344508959 /nfs/dbraw/zinc/50/89/59/344508959.db2.gz NNJDFEGUYJDFCK-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000037271061 344498538 /nfs/dbraw/zinc/49/85/38/344498538.db2.gz HFRTYCMHYFEKOD-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000043497637 344521880 /nfs/dbraw/zinc/52/18/80/344521880.db2.gz RJGFPRCXKREKIO-UHFFFAOYSA-N 2 1 213.325 0.006 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(C)(C)C ZINC000045074005 344556169 /nfs/dbraw/zinc/55/61/69/344556169.db2.gz GHFLBUDBOWZBOM-UHFFFAOYSA-N 2 1 213.369 0.870 20 0 BCADMP O=C(C[NH2+]CC1CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812666 344591362 /nfs/dbraw/zinc/59/13/62/344591362.db2.gz SAPWXHXLXSFANE-LBPRGKRZSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966911 344578910 /nfs/dbraw/zinc/57/89/10/344578910.db2.gz AHBBVKDOHBXBGF-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP CC(C)[C@H]1CN(C(=O)NC[C@H](C)[NH3+])CC[N@H+]1C ZINC000641474811 362442633 /nfs/dbraw/zinc/44/26/33/362442633.db2.gz LZAPWGUWYHTRNI-WDEREUQCSA-N 2 1 242.367 0.315 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641427469 362411727 /nfs/dbraw/zinc/41/17/27/362411727.db2.gz ZOOHFCWZSYFQJU-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237067675 344588757 /nfs/dbraw/zinc/58/87/57/344588757.db2.gz HFQKJMFNCBEQRD-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625976040 344639617 /nfs/dbraw/zinc/63/96/17/344639617.db2.gz LUOMBPFZRSJAHJ-OFTGVCEQSA-N 2 1 244.379 0.701 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625976040 344639620 /nfs/dbraw/zinc/63/96/20/344639620.db2.gz LUOMBPFZRSJAHJ-OFTGVCEQSA-N 2 1 244.379 0.701 20 0 BCADMP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000577867797 344639644 /nfs/dbraw/zinc/63/96/44/344639644.db2.gz ADMLFSCBNCVFTH-AXFHLTTASA-N 2 1 240.351 0.130 20 0 BCADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])C(C)C)n1 ZINC000309463208 347068271 /nfs/dbraw/zinc/06/82/71/347068271.db2.gz PHUCHVXZQRFHQE-VXNVDRBHSA-N 2 1 212.297 0.876 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046478 344697050 /nfs/dbraw/zinc/69/70/50/344697050.db2.gz DXXFBCYHSSCZNP-UHTWSYAYSA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046478 344697051 /nfs/dbraw/zinc/69/70/51/344697051.db2.gz DXXFBCYHSSCZNP-UHTWSYAYSA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046478 344697053 /nfs/dbraw/zinc/69/70/53/344697053.db2.gz DXXFBCYHSSCZNP-UHTWSYAYSA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000211705288 344758821 /nfs/dbraw/zinc/75/88/21/344758821.db2.gz AMQKILZDRJETKP-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[C@@H](CNC(=O)NCC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000133621953 344770693 /nfs/dbraw/zinc/77/06/93/344770693.db2.gz VVAXUYHAKMTTDK-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP CN(CCOCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000075860321 344785989 /nfs/dbraw/zinc/78/59/89/344785989.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[N@H+](CCOCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860321 344785991 /nfs/dbraw/zinc/78/59/91/344785991.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[N@@H+](CCOCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860321 344785992 /nfs/dbraw/zinc/78/59/92/344785992.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000583435836 344953744 /nfs/dbraw/zinc/95/37/44/344953744.db2.gz GNQBEWTWUPYDBO-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000583435836 344953745 /nfs/dbraw/zinc/95/37/45/344953745.db2.gz GNQBEWTWUPYDBO-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385165295 344946463 /nfs/dbraw/zinc/94/64/63/344946463.db2.gz FQEAFDZLVMTYSK-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000310450670 259382608 /nfs/dbraw/zinc/38/26/08/259382608.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000310450670 259382609 /nfs/dbraw/zinc/38/26/09/259382609.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000310450670 259382610 /nfs/dbraw/zinc/38/26/10/259382610.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C([N@@H+]1CC[C@@]2(CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993326 345189445 /nfs/dbraw/zinc/18/94/45/345189445.db2.gz QVKJETILMXERAJ-OTTFEQOBSA-N 2 1 222.332 0.851 20 0 BCADMP C([N@H+]1CC[C@@]2(CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993326 345189446 /nfs/dbraw/zinc/18/94/46/345189446.db2.gz QVKJETILMXERAJ-OTTFEQOBSA-N 2 1 222.332 0.851 20 0 BCADMP CCC[C@@](C)(CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993316 345189822 /nfs/dbraw/zinc/18/98/22/345189822.db2.gz QOQLOVVXCGCVDD-CXQJBGSLSA-N 2 1 212.337 0.879 20 0 BCADMP C([N@@H+]1CC[C@@H]2COC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996800 345181931 /nfs/dbraw/zinc/18/19/31/345181931.db2.gz VQONNBKAPIHGEZ-QZQSVVMZSA-N 2 1 222.332 0.707 20 0 BCADMP C([N@H+]1CC[C@@H]2COC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996800 345181932 /nfs/dbraw/zinc/18/19/32/345181932.db2.gz VQONNBKAPIHGEZ-QZQSVVMZSA-N 2 1 222.332 0.707 20 0 BCADMP CC[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634994822 345182503 /nfs/dbraw/zinc/18/25/03/345182503.db2.gz NUAWKMMVKMRPLM-LVFLEHKBSA-N 2 1 210.321 0.441 20 0 BCADMP CC[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634994822 345182505 /nfs/dbraw/zinc/18/25/05/345182505.db2.gz NUAWKMMVKMRPLM-LVFLEHKBSA-N 2 1 210.321 0.441 20 0 BCADMP CC(C)[C@H](C[NH3+])CNCC(F)(F)C[NH3+] ZINC000634995567 345184979 /nfs/dbraw/zinc/18/49/79/345184979.db2.gz IRTXCMWZSUVQHN-MRVPVSSYSA-N 2 1 209.284 0.401 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000634995480 345185096 /nfs/dbraw/zinc/18/50/96/345185096.db2.gz GKQYHFPLRCYZPI-NEPJUHHUSA-N 3 1 213.369 0.949 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000634995905 345185838 /nfs/dbraw/zinc/18/58/38/345185838.db2.gz SHRRXDZOJLOBGI-TUAOUCFPSA-N 3 1 213.369 0.805 20 0 BCADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959498 345133032 /nfs/dbraw/zinc/13/30/32/345133032.db2.gz SPPXPQFZIZMAPD-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCCO1 ZINC000634996219 345187465 /nfs/dbraw/zinc/18/74/65/345187465.db2.gz DDXJYVYXZKYOKF-MOENNCHZSA-N 2 1 210.321 0.897 20 0 BCADMP c1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)nc1 ZINC000634996223 345187701 /nfs/dbraw/zinc/18/77/01/345187701.db2.gz DGBHTSWVKDMCSL-UHFFFAOYSA-N 2 1 217.316 0.966 20 0 BCADMP C[C@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000635077393 345241509 /nfs/dbraw/zinc/24/15/09/345241509.db2.gz JOPFOSMVZPMGFN-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000600964991 345196388 /nfs/dbraw/zinc/19/63/88/345196388.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000600964991 345196390 /nfs/dbraw/zinc/19/63/90/345196390.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000600964991 345196393 /nfs/dbraw/zinc/19/63/93/345196393.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000600964991 345196395 /nfs/dbraw/zinc/19/63/95/345196395.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998161 345197226 /nfs/dbraw/zinc/19/72/26/345197226.db2.gz BNXMHEJAHPRJBC-MWLCHTKSSA-N 2 1 222.336 0.755 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999717 345200520 /nfs/dbraw/zinc/20/05/20/345200520.db2.gz YHNKYDXKAGQLTG-NXEZZACHSA-N 2 1 208.309 0.745 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999717 345200524 /nfs/dbraw/zinc/20/05/24/345200524.db2.gz YHNKYDXKAGQLTG-NXEZZACHSA-N 2 1 208.309 0.745 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178805668 534992736 /nfs/dbraw/zinc/99/27/36/534992736.db2.gz FEFLCSMZTJTAHP-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000635310826 345302285 /nfs/dbraw/zinc/30/22/85/345302285.db2.gz LXOWVDAJGQIWSH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635508653 345404838 /nfs/dbraw/zinc/40/48/38/345404838.db2.gz XDYOVHVWKUALPO-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000635506581 345406266 /nfs/dbraw/zinc/40/62/66/345406266.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000635506581 345406267 /nfs/dbraw/zinc/40/62/67/345406267.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000635506581 345406268 /nfs/dbraw/zinc/40/62/68/345406268.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH3+] ZINC000082241812 345497565 /nfs/dbraw/zinc/49/75/65/345497565.db2.gz ICNPOXFGNCBOPZ-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH3+] ZINC000082241798 345497638 /nfs/dbraw/zinc/49/76/38/345497638.db2.gz OCBZIPAUXZMTJA-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635540579 345519815 /nfs/dbraw/zinc/51/98/15/345519815.db2.gz MYGLKAZTIPWQIC-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068891876 349930869 /nfs/dbraw/zinc/93/08/69/349930869.db2.gz ZSVVJKNOVIULRY-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577314 345570085 /nfs/dbraw/zinc/57/00/85/345570085.db2.gz LESSLMFHVHOEKD-QJPTWQEYSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068891876 349930872 /nfs/dbraw/zinc/93/08/72/349930872.db2.gz ZSVVJKNOVIULRY-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000563116083 323093494 /nfs/dbraw/zinc/09/34/94/323093494.db2.gz XWNNCOMKAFJHEN-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CCOC(=O)C[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000309500788 187308893 /nfs/dbraw/zinc/30/88/93/187308893.db2.gz UXUNNTYWAHBXJY-SECBINFHSA-N 2 1 216.325 0.997 20 0 BCADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000309500788 187308895 /nfs/dbraw/zinc/30/88/95/187308895.db2.gz UXUNNTYWAHBXJY-SECBINFHSA-N 2 1 216.325 0.997 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262923498 535001664 /nfs/dbraw/zinc/00/16/64/535001664.db2.gz ZOIWBRLJZLNQRJ-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667278 535005367 /nfs/dbraw/zinc/00/53/67/535005367.db2.gz IANYMEOCBPTUNO-QWRGUYRKSA-N 2 1 240.351 0.374 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635605417 345889648 /nfs/dbraw/zinc/88/96/48/345889648.db2.gz BQRXSRYVKLZASY-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000563160307 323097433 /nfs/dbraw/zinc/09/74/33/323097433.db2.gz JLLMYQMDIYQLSH-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000635636035 345911081 /nfs/dbraw/zinc/91/10/81/345911081.db2.gz XBENFMBNQYXGDJ-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094648195 187361390 /nfs/dbraw/zinc/36/13/90/187361390.db2.gz UOLXMTUOEDXJKA-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000635665105 345967737 /nfs/dbraw/zinc/96/77/37/345967737.db2.gz UZLRFSMLJGRFLJ-HBNTYKKESA-N 2 1 239.363 0.678 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563200959 323101482 /nfs/dbraw/zinc/10/14/82/323101482.db2.gz CTLQCRFRBCRIJB-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCO1 ZINC000346145111 187362995 /nfs/dbraw/zinc/36/29/95/187362995.db2.gz UPSWJRVPZKDMBZ-XQQFMLRXSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000635781285 346055756 /nfs/dbraw/zinc/05/57/56/346055756.db2.gz ZNHZVHLGTLQRJQ-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@H+]1C ZINC000635863045 346096424 /nfs/dbraw/zinc/09/64/24/346096424.db2.gz BSVJXPUDEDJCTM-NEPJUHHUSA-N 2 1 241.379 0.735 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CC)[NH+](C)C ZINC000574904114 346311975 /nfs/dbraw/zinc/31/19/75/346311975.db2.gz OYWYJNNHPYREAN-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CC)[NH+](C)C ZINC000574904114 346311979 /nfs/dbraw/zinc/31/19/79/346311979.db2.gz OYWYJNNHPYREAN-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563338779 323119057 /nfs/dbraw/zinc/11/90/57/323119057.db2.gz OLXACIRAVZCCMW-SECBINFHSA-N 2 1 249.305 0.619 20 0 BCADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000636177008 346346518 /nfs/dbraw/zinc/34/65/18/346346518.db2.gz PIOIHDSMPDKJAT-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000069734000 349956323 /nfs/dbraw/zinc/95/63/23/349956323.db2.gz KSXVXISEDOBXDR-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574918908 346411378 /nfs/dbraw/zinc/41/13/78/346411378.db2.gz BXPGYQJKRFUQOK-LOWVWBTDSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795869 362737177 /nfs/dbraw/zinc/73/71/77/362737177.db2.gz APDPFBASMYPSBI-ZYHUDNBSSA-N 2 1 222.336 0.632 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000300369622 346433175 /nfs/dbraw/zinc/43/31/75/346433175.db2.gz ZELRULRALFHVTO-UWVGGRQHSA-N 2 1 215.341 0.441 20 0 BCADMP Cn1cncc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000641798305 362738501 /nfs/dbraw/zinc/73/85/01/362738501.db2.gz FFYJPMLWPJMLFK-UHFFFAOYSA-N 2 1 234.347 0.791 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC2(CC[NH2+]2)CC1 ZINC000641798305 362738503 /nfs/dbraw/zinc/73/85/03/362738503.db2.gz FFYJPMLWPJMLFK-UHFFFAOYSA-N 2 1 234.347 0.791 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000641797197 362743210 /nfs/dbraw/zinc/74/32/10/362743210.db2.gz XROFCAHYWRXPEA-PHIMTYICSA-N 2 1 222.336 0.645 20 0 BCADMP C[C@](C[NH3+])([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000641797539 362743243 /nfs/dbraw/zinc/74/32/43/362743243.db2.gz DZAVXUJMBSEWGJ-LLVKDONJSA-N 2 1 208.309 0.669 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cncn1C ZINC000641798162 362743279 /nfs/dbraw/zinc/74/32/79/362743279.db2.gz LWOKWSJFLIHHSB-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cn[nH]c1 ZINC000641798944 362747010 /nfs/dbraw/zinc/74/70/10/362747010.db2.gz RANKKYBFJNENGB-NSHDSACASA-N 2 1 210.325 0.915 20 0 BCADMP c1n[nH]cc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000641799153 362747360 /nfs/dbraw/zinc/74/73/60/362747360.db2.gz KFVQAKCFUATBMU-UHFFFAOYSA-N 2 1 220.320 0.780 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@H]1C[NH3+] ZINC000641797178 362741465 /nfs/dbraw/zinc/74/14/65/362741465.db2.gz WZZVOFKBNLXGEY-SNVBAGLBSA-N 2 1 208.309 0.386 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000053033720 346508944 /nfs/dbraw/zinc/50/89/44/346508944.db2.gz SOFQQYCBQYEHNL-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000580075854 346513387 /nfs/dbraw/zinc/51/33/87/346513387.db2.gz DAAYBKHZEDFAKP-KXUCPTDWSA-N 2 1 243.376 0.283 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801823 362756563 /nfs/dbraw/zinc/75/65/63/362756563.db2.gz FNGKGORFVINBLQ-GARJFASQSA-N 2 1 241.379 0.957 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000641801566 362756598 /nfs/dbraw/zinc/75/65/98/362756598.db2.gz SOZUCFRYYYUBKP-ZJUUUORDSA-N 2 1 248.330 0.736 20 0 BCADMP CC(C)(C)CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801592 362756772 /nfs/dbraw/zinc/75/67/72/362756772.db2.gz SWGITUYYPXLDRS-VHSXEESVSA-N 2 1 241.379 0.864 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641807480 362766100 /nfs/dbraw/zinc/76/61/00/362766100.db2.gz URYWQWJQTLMZFA-GARJFASQSA-N 2 1 241.379 0.863 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100633 /nfs/dbraw/zinc/10/06/33/347100633.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100635 /nfs/dbraw/zinc/10/06/35/347100635.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100636 /nfs/dbraw/zinc/10/06/36/347100636.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000580644716 365832454 /nfs/dbraw/zinc/83/24/54/365832454.db2.gz VNLPYMORJZUUQN-KOLCDFICSA-N 2 1 237.347 0.480 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000167337483 346705873 /nfs/dbraw/zinc/70/58/73/346705873.db2.gz XGCLLQDBPDVCCU-LLVKDONJSA-N 2 1 241.379 0.973 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000310505134 323132659 /nfs/dbraw/zinc/13/26/59/323132659.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000310505134 323132660 /nfs/dbraw/zinc/13/26/60/323132660.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000310505134 323132661 /nfs/dbraw/zinc/13/26/61/323132661.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000300420204 346744554 /nfs/dbraw/zinc/74/45/54/346744554.db2.gz XSZFDUMJWPOJSW-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000300420204 346744558 /nfs/dbraw/zinc/74/45/58/346744558.db2.gz XSZFDUMJWPOJSW-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000300421826 346746240 /nfs/dbraw/zinc/74/62/40/346746240.db2.gz PWXCQXJABPDHSB-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699017 346779683 /nfs/dbraw/zinc/77/96/83/346779683.db2.gz QIXFURBKYNCOHF-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699017 346779684 /nfs/dbraw/zinc/77/96/84/346779684.db2.gz QIXFURBKYNCOHF-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000582063287 347157651 /nfs/dbraw/zinc/15/76/51/347157651.db2.gz WKTOBCSUMVWJBX-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000641821557 362771450 /nfs/dbraw/zinc/77/14/50/362771450.db2.gz LNSZWVFHZPGZRY-NWDGAFQWSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000641821557 362771452 /nfs/dbraw/zinc/77/14/52/362771452.db2.gz LNSZWVFHZPGZRY-NWDGAFQWSA-N 2 1 220.320 0.765 20 0 BCADMP CC(C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380096681 365877952 /nfs/dbraw/zinc/87/79/52/365877952.db2.gz KNJCKSTZIGQXLX-UHFFFAOYSA-N 2 1 212.337 0.974 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)NC)CC1 ZINC000309669539 347132783 /nfs/dbraw/zinc/13/27/83/347132783.db2.gz VLYNPUOVAFHSBI-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+](Cc1ccc2ncccc2c1)C[C@@H](O)C[NH3+] ZINC000310884574 347316507 /nfs/dbraw/zinc/31/65/07/347316507.db2.gz XHBCIVJGNVGYQT-ZDUSSCGKSA-N 2 1 245.326 0.986 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088050910 362841235 /nfs/dbraw/zinc/84/12/35/362841235.db2.gz HDGTZVQZNKDEDE-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000188166457 259395874 /nfs/dbraw/zinc/39/58/74/259395874.db2.gz CLBNEXDPHBMCRZ-NSHDSACASA-N 2 1 243.376 0.929 20 0 BCADMP C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149777915 347512492 /nfs/dbraw/zinc/51/24/92/347512492.db2.gz JXMXGRKMZQDVEH-NNYUYHANSA-N 2 1 210.321 0.705 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591453047 347664289 /nfs/dbraw/zinc/66/42/89/347664289.db2.gz SDSPXZPHVNYQBJ-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591453047 347664291 /nfs/dbraw/zinc/66/42/91/347664291.db2.gz SDSPXZPHVNYQBJ-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591453047 347664294 /nfs/dbraw/zinc/66/42/94/347664294.db2.gz SDSPXZPHVNYQBJ-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591667554 347683754 /nfs/dbraw/zinc/68/37/54/347683754.db2.gz GDKJHSPFLHPGIH-JTQLQIEISA-N 2 1 227.352 0.395 20 0 BCADMP [NH3+]CCCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070202239 349976587 /nfs/dbraw/zinc/97/65/87/349976587.db2.gz ZVOZISDELBCLGC-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP [NH3+]CCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000070201961 349976621 /nfs/dbraw/zinc/97/66/21/349976621.db2.gz ZTVAPWMGPLXSBU-RYUDHWBXSA-N 2 1 239.363 0.858 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290232 365919567 /nfs/dbraw/zinc/91/95/67/365919567.db2.gz HILTYISVMWKSHN-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290232 365919573 /nfs/dbraw/zinc/91/95/73/365919573.db2.gz HILTYISVMWKSHN-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290232 365919587 /nfs/dbraw/zinc/91/95/87/365919587.db2.gz HILTYISVMWKSHN-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592488205 347786796 /nfs/dbraw/zinc/78/67/96/347786796.db2.gz HDRGHKLSJQHYBE-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000592493353 347787420 /nfs/dbraw/zinc/78/74/20/347787420.db2.gz OZUBRMZEAPTCOX-ZJUUUORDSA-N 2 1 214.309 0.337 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592494271 347787854 /nfs/dbraw/zinc/78/78/54/347787854.db2.gz OJHKUJANJNIRHM-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492332 347787937 /nfs/dbraw/zinc/78/79/37/347787937.db2.gz YSZJWHOUHNUXJQ-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471170 347790102 /nfs/dbraw/zinc/79/01/02/347790102.db2.gz FKLIVTJFBZYAPV-UHFFFAOYSA-N 2 1 226.320 0.766 20 0 BCADMP CC[NH+](CCSC)C[C@H](O)C[N@@H+](C)CC ZINC000594016468 347990472 /nfs/dbraw/zinc/99/04/72/347990472.db2.gz XVKDBSUVMMKEIP-LLVKDONJSA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](CCSC)C[C@H](O)C[N@H+](C)CC ZINC000594016468 347990474 /nfs/dbraw/zinc/99/04/74/347990474.db2.gz XVKDBSUVMMKEIP-LLVKDONJSA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCSC ZINC000594016468 347990481 /nfs/dbraw/zinc/99/04/81/347990481.db2.gz XVKDBSUVMMKEIP-LLVKDONJSA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCSC ZINC000594016468 347990483 /nfs/dbraw/zinc/99/04/83/347990483.db2.gz XVKDBSUVMMKEIP-LLVKDONJSA-N 2 1 234.409 0.984 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594739275 348110523 /nfs/dbraw/zinc/11/05/23/348110523.db2.gz RTSVUFXSEBIEIC-ZJUUUORDSA-N 2 1 223.320 0.030 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308692289 323176742 /nfs/dbraw/zinc/17/67/42/323176742.db2.gz LIKSHQMZLVBYJP-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000594917903 348153304 /nfs/dbraw/zinc/15/33/04/348153304.db2.gz LHVOQMHBECPMEQ-ZMLRMANQSA-N 2 1 240.347 0.868 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1=O ZINC000391613369 323179004 /nfs/dbraw/zinc/17/90/04/323179004.db2.gz DWCKDAXZDCRMDB-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1=O ZINC000391613369 323179005 /nfs/dbraw/zinc/17/90/05/323179005.db2.gz DWCKDAXZDCRMDB-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648666 348242103 /nfs/dbraw/zinc/24/21/03/348242103.db2.gz JDOJVJZCJLDTCU-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652437 348249675 /nfs/dbraw/zinc/24/96/75/348249675.db2.gz WMOBPNSEFCWNCS-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000563887827 323183404 /nfs/dbraw/zinc/18/34/04/323183404.db2.gz DAAYBKHZEDFAKP-BBBLOLIVSA-N 2 1 243.376 0.283 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCOCCO)CC1(C)C ZINC000623487573 362911528 /nfs/dbraw/zinc/91/15/28/362911528.db2.gz IEFLVBUSAXLDHW-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496320 362920416 /nfs/dbraw/zinc/92/04/16/362920416.db2.gz QTRLNUDFTRPDAQ-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496320 362920420 /nfs/dbraw/zinc/92/04/20/362920420.db2.gz QTRLNUDFTRPDAQ-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CSC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309100796 349986433 /nfs/dbraw/zinc/98/64/33/349986433.db2.gz IZKBJACLXWKBKO-MWLCHTKSSA-N 2 1 232.393 0.783 20 0 BCADMP CSC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309100796 349986437 /nfs/dbraw/zinc/98/64/37/349986437.db2.gz IZKBJACLXWKBKO-MWLCHTKSSA-N 2 1 232.393 0.783 20 0 BCADMP COC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900806 348394524 /nfs/dbraw/zinc/39/45/24/348394524.db2.gz LQELMECOQOKKHS-GFCCVEGCSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000595904606 348396031 /nfs/dbraw/zinc/39/60/31/348396031.db2.gz INBXJJJEKDYPII-WDEREUQCSA-N 2 1 244.335 0.093 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000516771538 348623446 /nfs/dbraw/zinc/62/34/46/348623446.db2.gz MUQZNXKLFKDTKT-GFCCVEGCSA-N 2 1 248.330 0.293 20 0 BCADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812261 490191063 /nfs/dbraw/zinc/19/10/63/490191063.db2.gz CNLNLCKPYDOTJH-WNYYMSAVSA-N 2 1 212.337 0.959 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000251703857 349183703 /nfs/dbraw/zinc/18/37/03/349183703.db2.gz XQBVUIIWEPEIPV-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368580 349170400 /nfs/dbraw/zinc/17/04/00/349170400.db2.gz VGRAIZYZNVZHKZ-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368575 349170437 /nfs/dbraw/zinc/17/04/37/349170437.db2.gz VGRAIZYZNVZHKZ-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000061380728 349367971 /nfs/dbraw/zinc/36/79/71/349367971.db2.gz TXJLPOAURVEOTK-UHFFFAOYSA-N 2 1 245.367 0.069 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309121080 350036851 /nfs/dbraw/zinc/03/68/51/350036851.db2.gz UCJZRXIZEHGOLH-FOGDFJRCSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309121080 350036853 /nfs/dbraw/zinc/03/68/53/350036853.db2.gz UCJZRXIZEHGOLH-FOGDFJRCSA-N 2 1 212.337 0.687 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106885 350062963 /nfs/dbraw/zinc/06/29/63/350062963.db2.gz QOKQSXADFZVKGR-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)(C)OC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000604324409 350102017 /nfs/dbraw/zinc/10/20/17/350102017.db2.gz IYMVPLKCSFISBN-GHMZBOCLSA-N 2 1 240.347 0.869 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000584242199 490313382 /nfs/dbraw/zinc/31/33/82/490313382.db2.gz KVWZBSLIDLFEIX-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132231783 191027247 /nfs/dbraw/zinc/02/72/47/191027247.db2.gz PCVICTWTULQXCN-MNOVXSKESA-N 2 1 227.352 0.441 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132231783 191027249 /nfs/dbraw/zinc/02/72/49/191027249.db2.gz PCVICTWTULQXCN-MNOVXSKESA-N 2 1 227.352 0.441 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000219973269 350153729 /nfs/dbraw/zinc/15/37/29/350153729.db2.gz RJFNVFRNLDZJQT-SECBINFHSA-N 2 1 225.336 0.467 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](CCO)C1CC1 ZINC000314531714 350173511 /nfs/dbraw/zinc/17/35/11/350173511.db2.gz ITLODLDSOFAFNU-UHFFFAOYSA-N 2 1 223.320 0.809 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)C1CC1 ZINC000314531714 350173512 /nfs/dbraw/zinc/17/35/12/350173512.db2.gz ITLODLDSOFAFNU-UHFFFAOYSA-N 2 1 223.320 0.809 20 0 BCADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427136092 191053607 /nfs/dbraw/zinc/05/36/07/191053607.db2.gz MAWKECCMJLGRIZ-PSASIEDQSA-N 2 1 249.305 0.604 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)CN ZINC000427152004 191055270 /nfs/dbraw/zinc/05/52/70/191055270.db2.gz GWLQCLQYJAINGA-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427152004 191055274 /nfs/dbraw/zinc/05/52/74/191055274.db2.gz GWLQCLQYJAINGA-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000236812062 191060759 /nfs/dbraw/zinc/06/07/59/191060759.db2.gz KCZYNZJQDBDRRI-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040923618 191062887 /nfs/dbraw/zinc/06/28/87/191062887.db2.gz XVMCPHYJQZTEJK-VIFPVBQESA-N 2 1 211.309 0.030 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000309235219 350216126 /nfs/dbraw/zinc/21/61/26/350216126.db2.gz JJLJBGKEWDZTNJ-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000309235219 350216130 /nfs/dbraw/zinc/21/61/30/350216130.db2.gz JJLJBGKEWDZTNJ-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH+](CCO)CCO ZINC000120396259 180233494 /nfs/dbraw/zinc/23/34/94/180233494.db2.gz ZSCXAHIUWXEXNQ-UHFFFAOYSA-N 2 1 241.335 0.258 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)C(C)(C)[NH3+] ZINC000237623233 180235725 /nfs/dbraw/zinc/23/57/25/180235725.db2.gz LEBQXTZLIPBRKZ-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(N)=O ZINC000179493800 180236916 /nfs/dbraw/zinc/23/69/16/180236916.db2.gz AEHFWMKSFVURJW-SECBINFHSA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(N)=O ZINC000179493800 180236917 /nfs/dbraw/zinc/23/69/17/180236917.db2.gz AEHFWMKSFVURJW-SECBINFHSA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)CCC[NH3+] ZINC000237623607 180238098 /nfs/dbraw/zinc/23/80/98/180238098.db2.gz VHXJBOYARNODNR-UHFFFAOYSA-N 2 1 238.335 0.827 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(CO)CO ZINC000270889320 180246388 /nfs/dbraw/zinc/24/63/88/180246388.db2.gz OVNOGFHZTCVPNC-UHFFFAOYSA-N 2 1 241.335 0.114 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(CO)CO ZINC000270889320 180246389 /nfs/dbraw/zinc/24/63/89/180246389.db2.gz OVNOGFHZTCVPNC-UHFFFAOYSA-N 2 1 241.335 0.114 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CCC[NH3+] ZINC000308835066 180259671 /nfs/dbraw/zinc/25/96/71/180259671.db2.gz VYIFEMMBWWFVGU-UHFFFAOYSA-N 2 1 210.281 0.047 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC[C@@H](C)[NH3+] ZINC000277460581 180257574 /nfs/dbraw/zinc/25/75/74/180257574.db2.gz IFGPVIKROVJCAI-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000261567526 180258320 /nfs/dbraw/zinc/25/83/20/180258320.db2.gz ZVYDWEZFJHDHFE-LBPRGKRZSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261567524 180259134 /nfs/dbraw/zinc/25/91/34/180259134.db2.gz ZVYDWEZFJHDHFE-GFCCVEGCSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000270679245 180242666 /nfs/dbraw/zinc/24/26/66/180242666.db2.gz UJISYEDZYIOQJT-LBPRGKRZSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CO)C1 ZINC000270679245 180242668 /nfs/dbraw/zinc/24/26/68/180242668.db2.gz UJISYEDZYIOQJT-LBPRGKRZSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@H](C)[NH3+] ZINC000340182920 180267344 /nfs/dbraw/zinc/26/73/44/180267344.db2.gz FFQNQKDHDKEVLV-UWVGGRQHSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCN1CCOCC1 ZINC000565155129 323319876 /nfs/dbraw/zinc/31/98/76/323319876.db2.gz CPPOTINEAVZSFA-CHWSQXEVSA-N 2 1 241.379 0.520 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177058186 365961018 /nfs/dbraw/zinc/96/10/18/365961018.db2.gz LRWMWUZCUACGDS-YPMHNXCESA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177058186 365961021 /nfs/dbraw/zinc/96/10/21/365961021.db2.gz LRWMWUZCUACGDS-YPMHNXCESA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058186 365961024 /nfs/dbraw/zinc/96/10/24/365961024.db2.gz LRWMWUZCUACGDS-YPMHNXCESA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058186 365961027 /nfs/dbraw/zinc/96/10/27/365961027.db2.gz LRWMWUZCUACGDS-YPMHNXCESA-N 2 1 241.379 0.927 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000563352562 350822978 /nfs/dbraw/zinc/82/29/78/350822978.db2.gz CROJNWVJVIJVBG-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000563352562 350822980 /nfs/dbraw/zinc/82/29/80/350822980.db2.gz CROJNWVJVIJVBG-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560508 362985717 /nfs/dbraw/zinc/98/57/17/362985717.db2.gz IHURTUHCVQMZSY-YPMHNXCESA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520681 351071277 /nfs/dbraw/zinc/07/12/77/351071277.db2.gz RYBNISQZNQGOKY-MFKMUULPSA-N 2 1 237.347 0.481 20 0 BCADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000019685375 351261375 /nfs/dbraw/zinc/26/13/75/351261375.db2.gz UKIIQJQQJHAIDS-UHFFFAOYSA-N 2 1 247.342 0.550 20 0 BCADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000019685375 351261382 /nfs/dbraw/zinc/26/13/82/351261382.db2.gz UKIIQJQQJHAIDS-UHFFFAOYSA-N 2 1 247.342 0.550 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000380187382 351381406 /nfs/dbraw/zinc/38/14/06/351381406.db2.gz PLSPYENFXPVFQE-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295240 487527554 /nfs/dbraw/zinc/52/75/54/487527554.db2.gz GNKDJQSRJOPHOV-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626966801 363065809 /nfs/dbraw/zinc/06/58/09/363065809.db2.gz ZRWGEKFHCSLZQQ-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414671138 351578242 /nfs/dbraw/zinc/57/82/42/351578242.db2.gz NDDPGACTUJRPSF-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000577637035 366028588 /nfs/dbraw/zinc/02/85/88/366028588.db2.gz GOUAWTHSDBZGHT-USZNOCQGSA-N 2 1 237.347 0.467 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000637800785 351637284 /nfs/dbraw/zinc/63/72/84/351637284.db2.gz DZULWAGWRDLZNK-JTQLQIEISA-N 2 1 222.292 0.012 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637803041 351638969 /nfs/dbraw/zinc/63/89/69/351638969.db2.gz XEYGZSGHNGPVRI-SNVBAGLBSA-N 2 1 236.319 0.566 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805825 351642149 /nfs/dbraw/zinc/64/21/49/351642149.db2.gz QUSNWOINJXMLMR-JTQLQIEISA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH2+]CC1 ZINC000637809098 351645343 /nfs/dbraw/zinc/64/53/43/351645343.db2.gz LJLSXHDFGBDLAR-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637816617 351657172 /nfs/dbraw/zinc/65/71/72/351657172.db2.gz NNZVAZZPPMDFII-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000637801356 351631639 /nfs/dbraw/zinc/63/16/39/351631639.db2.gz JFDQGGWXXCCOPJ-SNVBAGLBSA-N 2 1 222.292 0.012 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637838881 351689153 /nfs/dbraw/zinc/68/91/53/351689153.db2.gz DMEKPPRGZLWVQR-AOOOYVTPSA-N 2 1 236.319 0.400 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH3+])CCCC2)C1 ZINC000637839269 351689636 /nfs/dbraw/zinc/68/96/36/351689636.db2.gz ILKKLULTARKOAY-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H](C)[NH2+]1 ZINC000637840089 351694764 /nfs/dbraw/zinc/69/47/64/351694764.db2.gz NBNNLTKXYJDKOY-UKKRHICBSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000637840609 351695537 /nfs/dbraw/zinc/69/55/37/351695537.db2.gz PMVJPALTVUUIQP-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000637848074 351708097 /nfs/dbraw/zinc/70/80/97/351708097.db2.gz FZNBDVKGYRCFBG-SNVBAGLBSA-N 2 1 224.308 0.291 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637842353 351699031 /nfs/dbraw/zinc/69/90/31/351699031.db2.gz QPHMLZULCGAKQZ-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637845216 351700528 /nfs/dbraw/zinc/70/05/28/351700528.db2.gz VNOPTZIDDWFSSA-SNVBAGLBSA-N 2 1 229.368 0.770 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637843772 351703141 /nfs/dbraw/zinc/70/31/41/351703141.db2.gz HEJBIJPOWPLNCE-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000637824716 351664739 /nfs/dbraw/zinc/66/47/39/351664739.db2.gz PVKAIGJGOFMVRL-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000637825345 351665843 /nfs/dbraw/zinc/66/58/43/351665843.db2.gz VCINUKGHCANGBA-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)C[NH3+] ZINC000637830750 351675793 /nfs/dbraw/zinc/67/57/93/351675793.db2.gz DWTPTCQVZUMUPO-UHFFFAOYSA-N 2 1 238.335 0.860 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)Cn1cc[nH+]c1C ZINC000637866101 351726707 /nfs/dbraw/zinc/72/67/07/351726707.db2.gz HXIUBJGOOLMBGP-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000626986083 363084458 /nfs/dbraw/zinc/08/44/58/363084458.db2.gz ADMLFSCBNCVFTH-GMTAPVOTSA-N 2 1 240.351 0.130 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637851143 351709750 /nfs/dbraw/zinc/70/97/50/351709750.db2.gz YXSZVKSZFGPGTG-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854736 351713967 /nfs/dbraw/zinc/71/39/67/351713967.db2.gz FGKHLUFVAGPXRQ-NSHDSACASA-N 2 1 241.379 0.818 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023893 358466508 /nfs/dbraw/zinc/46/65/08/358466508.db2.gz BOLWRWIITSUELP-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000638047435 351926547 /nfs/dbraw/zinc/92/65/47/351926547.db2.gz HNNXLYMZAPJZRO-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000638071933 351943205 /nfs/dbraw/zinc/94/32/05/351943205.db2.gz IJINOKZVCISONS-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638071651 351943650 /nfs/dbraw/zinc/94/36/50/351943650.db2.gz HAVPFXRCZISNTB-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP CCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638144762 352007606 /nfs/dbraw/zinc/00/76/06/352007606.db2.gz FKPGQVULQWAJOZ-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[N@@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638082221 351955366 /nfs/dbraw/zinc/95/53/66/351955366.db2.gz GFTCFOMRDUYBNV-SNVBAGLBSA-N 2 1 223.320 0.244 20 0 BCADMP O=C(CCC1C[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000638086475 351963699 /nfs/dbraw/zinc/96/36/99/351963699.db2.gz ZLHUWFXNPRWABT-NSHDSACASA-N 2 1 237.347 0.339 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091087 351967721 /nfs/dbraw/zinc/96/77/21/351967721.db2.gz PNSDPCZBPVLAJP-GFCCVEGCSA-N 2 1 239.363 0.882 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638097230 351977553 /nfs/dbraw/zinc/97/75/53/351977553.db2.gz RTZINBLVOLZCQN-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000638099653 351979548 /nfs/dbraw/zinc/97/95/48/351979548.db2.gz CWSQONBTUPTTSR-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000638099648 351979842 /nfs/dbraw/zinc/97/98/42/351979842.db2.gz IHNCOKFFUPMEKK-QWHCGFSZSA-N 2 1 249.358 0.634 20 0 BCADMP C[C@@H](CNC(=O)CCC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000638099672 351980018 /nfs/dbraw/zinc/98/00/18/351980018.db2.gz DAMYBKDBYRNKES-JTQLQIEISA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000638126912 351998070 /nfs/dbraw/zinc/99/80/70/351998070.db2.gz RNLCDWRRNNYSAO-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000638130639 352000241 /nfs/dbraw/zinc/00/02/41/352000241.db2.gz LZAGNIBJLSFUQT-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134476 352002923 /nfs/dbraw/zinc/00/29/23/352002923.db2.gz NODKZHRWUAEHRF-IRUJWGPZSA-N 2 1 249.358 0.633 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638176699 352042977 /nfs/dbraw/zinc/04/29/77/352042977.db2.gz GKWSRKBQMGJSIR-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638197618 352059516 /nfs/dbraw/zinc/05/95/16/352059516.db2.gz BISJYMOXBHQMEL-VXGBXAGGSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000638204088 352065881 /nfs/dbraw/zinc/06/58/81/352065881.db2.gz IJIHXNGGDJRYNM-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638210860 352070819 /nfs/dbraw/zinc/07/08/19/352070819.db2.gz QLIILOSQDXWHSK-QWRGUYRKSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000638156082 352019119 /nfs/dbraw/zinc/01/91/19/352019119.db2.gz GOHGKGLNSHZNRM-NXEZZACHSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638156319 352019750 /nfs/dbraw/zinc/01/97/50/352019750.db2.gz NJGCCWOZRMJORM-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638156720 352020577 /nfs/dbraw/zinc/02/05/77/352020577.db2.gz QJYLXGOJQXREHE-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000638158807 352022872 /nfs/dbraw/zinc/02/28/72/352022872.db2.gz STRQBHCYPNCXAA-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C[NH2+]1 ZINC000638160882 352028319 /nfs/dbraw/zinc/02/83/19/352028319.db2.gz ZVEHCJJRTQOPDS-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000638210504 352073690 /nfs/dbraw/zinc/07/36/90/352073690.db2.gz ICZWSOPVEQWTFP-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC(C)(C)C ZINC000638244785 352092470 /nfs/dbraw/zinc/09/24/70/352092470.db2.gz ZCYPMMXQIXBXGU-IAZYJMLFSA-N 2 1 239.363 0.298 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC(C)(C)CCC[NH3+])C1 ZINC000638246505 352093184 /nfs/dbraw/zinc/09/31/84/352093184.db2.gz FVVSRADPENOMTO-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638253242 352096385 /nfs/dbraw/zinc/09/63/85/352096385.db2.gz JCSYNJPZDZYNIB-PWSUYJOCSA-N 2 1 241.310 0.194 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638254028 352096939 /nfs/dbraw/zinc/09/69/39/352096939.db2.gz FEBRLAJPVDLNQV-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC([NH3+])C1 ZINC000638254518 352097723 /nfs/dbraw/zinc/09/77/23/352097723.db2.gz AYJXWFJVSQHIPL-UHFFFAOYSA-N 2 1 241.379 0.912 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCC[NH3+] ZINC000638251847 352099462 /nfs/dbraw/zinc/09/94/62/352099462.db2.gz LCZRTUBSPXSWKP-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])CC[N@H+]1C ZINC000638257785 352101376 /nfs/dbraw/zinc/10/13/76/352101376.db2.gz WOBLDEQXLVIULM-XWLWVQCSSA-N 2 1 227.352 0.569 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000638258023 352101485 /nfs/dbraw/zinc/10/14/85/352101485.db2.gz XKRPPAOSKJHIDR-SNVBAGLBSA-N 2 1 238.335 0.860 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCC1 ZINC000638261981 352104280 /nfs/dbraw/zinc/10/42/80/352104280.db2.gz KGWACTPUWRKEEQ-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000083961326 352106795 /nfs/dbraw/zinc/10/67/95/352106795.db2.gz KPYCVRNGFXASDU-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638269956 352107435 /nfs/dbraw/zinc/10/74/35/352107435.db2.gz VTYPRJIIXMOKOD-MNOVXSKESA-N 2 1 236.319 0.435 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638268100 352108033 /nfs/dbraw/zinc/10/80/33/352108033.db2.gz JGBLDGGDHUWYAA-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638332997 352151057 /nfs/dbraw/zinc/15/10/57/352151057.db2.gz TYHQFIZQDKMBFV-NSHDSACASA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638371320 352184269 /nfs/dbraw/zinc/18/42/69/352184269.db2.gz QPBLCZNKOBVZCW-DTWKUNHWSA-N 2 1 224.308 0.434 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638371319 352184380 /nfs/dbraw/zinc/18/43/80/352184380.db2.gz QPBLCZNKOBVZCW-BDAKNGLRSA-N 2 1 224.308 0.434 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638401149 352206811 /nfs/dbraw/zinc/20/68/11/352206811.db2.gz PHUOUVXHQFNHRB-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638402312 352208304 /nfs/dbraw/zinc/20/83/04/352208304.db2.gz MHJMWLNSRZATOS-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404335 352210717 /nfs/dbraw/zinc/21/07/17/352210717.db2.gz ALASKKZUDHIDAL-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404673 352211278 /nfs/dbraw/zinc/21/12/78/352211278.db2.gz JIEYFDSVCKGGBE-UWVGGRQHSA-N 2 1 227.352 0.713 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1([NH3+])CCCC1 ZINC000638412214 352218970 /nfs/dbraw/zinc/21/89/70/352218970.db2.gz VZAXKIOSNOEQHF-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000638517179 352346458 /nfs/dbraw/zinc/34/64/58/352346458.db2.gz QVXQLEOWUPTCDV-RKDXNWHRSA-N 2 1 222.292 0.320 20 0 BCADMP CCN(CC[NH3+])C(=O)C[N@@H+](C)C(C)C ZINC000638517099 352347253 /nfs/dbraw/zinc/34/72/53/352347253.db2.gz MOIDCXWHSZJRBX-UHFFFAOYSA-N 2 1 201.314 0.134 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528477 352361707 /nfs/dbraw/zinc/36/17/07/352361707.db2.gz IIQVLAGHDAFYGW-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000638528300 352362843 /nfs/dbraw/zinc/36/28/43/352362843.db2.gz DWKWFORBWOYJLU-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP CCN[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952073 352371893 /nfs/dbraw/zinc/37/18/93/352371893.db2.gz HZSREWBUWFWHEI-IJLUTSLNSA-N 2 1 213.369 0.962 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643905 352486288 /nfs/dbraw/zinc/48/62/88/352486288.db2.gz NEAGIMFMEYPDFD-QWRGUYRKSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638668132 352510245 /nfs/dbraw/zinc/51/02/45/352510245.db2.gz ILSAHLIVVLIXCS-UHFFFAOYSA-N 2 1 249.314 0.669 20 0 BCADMP C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000040456441 352597065 /nfs/dbraw/zinc/59/70/65/352597065.db2.gz QNCTYLPLEIVUAZ-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000040468813 352598016 /nfs/dbraw/zinc/59/80/16/352598016.db2.gz VOQJQQWHVVSAFC-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000041680048 352616320 /nfs/dbraw/zinc/61/63/20/352616320.db2.gz KXYFFELNJXYNGR-VHSXEESVSA-N 2 1 245.392 0.495 20 0 BCADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CCCC1 ZINC000042011634 352617363 /nfs/dbraw/zinc/61/73/63/352617363.db2.gz XKWLSNBKYMVGFH-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531320 352654951 /nfs/dbraw/zinc/65/49/51/352654951.db2.gz LBUOIZNILFZBKD-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531320 352654954 /nfs/dbraw/zinc/65/49/54/352654954.db2.gz LBUOIZNILFZBKD-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042429069 352621724 /nfs/dbraw/zinc/62/17/24/352621724.db2.gz NQHXGLUIWYKUOG-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767580 352707511 /nfs/dbraw/zinc/70/75/11/352707511.db2.gz GZOVECIODYNYAL-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334185718 352774615 /nfs/dbraw/zinc/77/46/15/352774615.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334185718 352774617 /nfs/dbraw/zinc/77/46/17/352774617.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334185718 352774619 /nfs/dbraw/zinc/77/46/19/352774619.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000334182211 352770613 /nfs/dbraw/zinc/77/06/13/352770613.db2.gz FFIXPPCOEZLUIA-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000334182211 352770616 /nfs/dbraw/zinc/77/06/16/352770616.db2.gz FFIXPPCOEZLUIA-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000334182211 352770618 /nfs/dbraw/zinc/77/06/18/352770618.db2.gz FFIXPPCOEZLUIA-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000091996231 538105788 /nfs/dbraw/zinc/10/57/88/538105788.db2.gz BLMXAJHMYQDFCR-QWRGUYRKSA-N 2 1 233.315 0.747 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068485 363200072 /nfs/dbraw/zinc/20/00/72/363200072.db2.gz KLBZSTWHDPKQPC-LLVKDONJSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](C)C ZINC000334314694 352945332 /nfs/dbraw/zinc/94/53/32/352945332.db2.gz MMRWZDBDBCCKTM-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000334314281 352945419 /nfs/dbraw/zinc/94/54/19/352945419.db2.gz MBZHWEBJRRZMTF-NEPJUHHUSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000334314281 352945422 /nfs/dbraw/zinc/94/54/22/352945422.db2.gz MBZHWEBJRRZMTF-NEPJUHHUSA-N 2 1 241.379 0.735 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638904098 353065634 /nfs/dbraw/zinc/06/56/34/353065634.db2.gz NUMBMVUNGZJIKF-MWLCHTKSSA-N 2 1 236.319 0.245 20 0 BCADMP [NH3+][C@@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000031993151 353043184 /nfs/dbraw/zinc/04/31/84/353043184.db2.gz VZKDQXGUQFJLED-GFCCVEGCSA-N 2 1 227.352 0.132 20 0 BCADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(N)=O ZINC000191480274 188003182 /nfs/dbraw/zinc/00/31/82/188003182.db2.gz JNBGLZFPFBBYJL-UHFFFAOYSA-N 2 1 238.335 0.643 20 0 BCADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(N)=O ZINC000191480274 188003184 /nfs/dbraw/zinc/00/31/84/188003184.db2.gz JNBGLZFPFBBYJL-UHFFFAOYSA-N 2 1 238.335 0.643 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638931405 353092425 /nfs/dbraw/zinc/09/24/25/353092425.db2.gz PKCHHDHFDIRXHX-MNOVXSKESA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000110653810 188006595 /nfs/dbraw/zinc/00/65/95/188006595.db2.gz VRDYVPZWOWQDGR-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000110653810 188006596 /nfs/dbraw/zinc/00/65/96/188006596.db2.gz VRDYVPZWOWQDGR-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133433 188006937 /nfs/dbraw/zinc/00/69/37/188006937.db2.gz JKSTWYLUVLCZSE-JTQLQIEISA-N 2 1 215.341 0.426 20 0 BCADMP CC(C)[C@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000336688587 188011464 /nfs/dbraw/zinc/01/14/64/188011464.db2.gz GCFIWEWRJFPMRI-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000336688587 188011466 /nfs/dbraw/zinc/01/14/66/188011466.db2.gz GCFIWEWRJFPMRI-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467850 188043281 /nfs/dbraw/zinc/04/32/81/188043281.db2.gz PXOREVCROWYVFH-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000336757424 353159964 /nfs/dbraw/zinc/15/99/64/353159964.db2.gz YZFRNMBAISNCCO-SSDOTTSWSA-N 2 1 223.267 0.214 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251785470 353287780 /nfs/dbraw/zinc/28/77/80/353287780.db2.gz NDOSMRBBDMAYSP-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000367976958 188247062 /nfs/dbraw/zinc/24/70/62/188247062.db2.gz NZLDJEMJJAIYNG-BDAKNGLRSA-N 2 1 249.305 0.331 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251863794 353292792 /nfs/dbraw/zinc/29/27/92/353292792.db2.gz SSHLECNLALBECW-SRVKXCTJSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000165313256 353297032 /nfs/dbraw/zinc/29/70/32/353297032.db2.gz WBKFIERAGXUFFJ-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1C ZINC000639032110 353301453 /nfs/dbraw/zinc/30/14/53/353301453.db2.gz MFHHXKRFVHGIOZ-DDHJBXDOSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000165395366 353336153 /nfs/dbraw/zinc/33/61/53/353336153.db2.gz ZJTBOPNSRAYPRX-LPEHRKFASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000165395488 353336260 /nfs/dbraw/zinc/33/62/60/353336260.db2.gz ZJTBOPNSRAYPRX-KXUCPTDWSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1nccn1C ZINC000252894343 353312975 /nfs/dbraw/zinc/31/29/75/353312975.db2.gz UXWHPXDHVDSRNQ-GHMZBOCLSA-N 2 1 222.336 0.850 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(N)=O ZINC000129333954 188317939 /nfs/dbraw/zinc/31/79/39/188317939.db2.gz SMOVZHHCABVCGK-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123092631 188329189 /nfs/dbraw/zinc/32/91/89/188329189.db2.gz SPFAJLMDESRIEH-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C)[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049432 353344394 /nfs/dbraw/zinc/34/43/94/353344394.db2.gz RAPFJJKKGAQZBX-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H](C)[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049432 353344397 /nfs/dbraw/zinc/34/43/97/353344397.db2.gz RAPFJJKKGAQZBX-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000163478833 353353207 /nfs/dbraw/zinc/35/32/07/353353207.db2.gz IZHMSNQDJUJRCI-NXEZZACHSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000163478833 353353209 /nfs/dbraw/zinc/35/32/09/353353209.db2.gz IZHMSNQDJUJRCI-NXEZZACHSA-N 2 1 243.376 0.249 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309906079 188346898 /nfs/dbraw/zinc/34/68/98/188346898.db2.gz KGZNOWLYRSPSGH-TXEJJXNPSA-N 3 1 209.337 0.137 20 0 BCADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000165610863 353408084 /nfs/dbraw/zinc/40/80/84/353408084.db2.gz ZSDBSMXDOREBIA-ZJUUUORDSA-N 2 1 243.376 0.105 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)NCCC[NH3+])CC1 ZINC000332010064 188368995 /nfs/dbraw/zinc/36/89/95/188368995.db2.gz PMHREVPBSNWAND-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP CC(C)([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000040922651 188396696 /nfs/dbraw/zinc/39/66/96/188396696.db2.gz PYZOMOXTUIFUMC-SECBINFHSA-N 2 1 225.336 0.324 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000571669494 353490418 /nfs/dbraw/zinc/49/04/18/353490418.db2.gz QIERPOJUFCHUDQ-RYUDHWBXSA-N 3 1 213.369 0.964 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192098182 353542080 /nfs/dbraw/zinc/54/20/80/353542080.db2.gz CUTHTIWRNSBMQE-GHMZBOCLSA-N 2 1 245.367 0.054 20 0 BCADMP CC[C@@]1(C(=O)N2CC[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000231786612 353655477 /nfs/dbraw/zinc/65/54/77/353655477.db2.gz GFLNBDKCBKUYJD-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@]1(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000231786612 353655479 /nfs/dbraw/zinc/65/54/79/353655479.db2.gz GFLNBDKCBKUYJD-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+](Cc1cn(C)nn1)CC1CC[NH2+]CC1 ZINC000233438908 353819479 /nfs/dbraw/zinc/81/94/79/353819479.db2.gz UEGCXPMHAUEJFX-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000220121611 353822304 /nfs/dbraw/zinc/82/23/04/353822304.db2.gz UJUWVYXTMAKFJP-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000334522121 353888709 /nfs/dbraw/zinc/88/87/09/353888709.db2.gz ZGCYTQLHFDELRU-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000343454335 353894517 /nfs/dbraw/zinc/89/45/17/353894517.db2.gz UKCVONJLOHOZQH-RNJOBUHISA-N 2 1 242.363 0.287 20 0 BCADMP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000334538887 353926225 /nfs/dbraw/zinc/92/62/25/353926225.db2.gz KCYJKEOEHJTGSD-IUCAKERBSA-N 2 1 247.289 0.099 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000334539713 353927643 /nfs/dbraw/zinc/92/76/43/353927643.db2.gz MQRTUVZJXOPHGJ-GFCCVEGCSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343472273 353900526 /nfs/dbraw/zinc/90/05/26/353900526.db2.gz GGKKWPDFZFOQAH-IUCAKERBSA-N 2 1 249.305 0.345 20 0 BCADMP CCC(CC)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031042 358482069 /nfs/dbraw/zinc/48/20/69/358482069.db2.gz DBFUUAFTTDJWKF-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[NH+](C)C ZINC000343835185 354034759 /nfs/dbraw/zinc/03/47/59/354034759.db2.gz TYXBIPSNKYVBEH-MWLCHTKSSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[NH+](C)C ZINC000343835185 354034763 /nfs/dbraw/zinc/03/47/63/354034763.db2.gz TYXBIPSNKYVBEH-MWLCHTKSSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)(C)[C@H](CCO)[NH2+][C@H]1CC[NH2+]C1 ZINC000231075070 363336727 /nfs/dbraw/zinc/33/67/27/363336727.db2.gz WIZNTNLWQFNIDB-UWVGGRQHSA-N 2 1 200.326 0.735 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449707584 202007359 /nfs/dbraw/zinc/00/73/59/202007359.db2.gz RTMWQSHGIZWVDL-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627134990 363351422 /nfs/dbraw/zinc/35/14/22/363351422.db2.gz KSQIUQAWYDPCCY-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587642 354213576 /nfs/dbraw/zinc/21/35/76/354213576.db2.gz YBOOIXLJDBRRSY-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[C@H](CN2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587642 354213577 /nfs/dbraw/zinc/21/35/77/354213577.db2.gz YBOOIXLJDBRRSY-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344306822 354216187 /nfs/dbraw/zinc/21/61/87/354216187.db2.gz YEMVDVXXIABXFW-NSHDSACASA-N 2 1 239.363 0.705 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588778 354216200 /nfs/dbraw/zinc/21/62/00/354216200.db2.gz XKCRJJJICXLCLX-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588778 354216201 /nfs/dbraw/zinc/21/62/01/354216201.db2.gz XKCRJJJICXLCLX-NWDGAFQWSA-N 3 1 211.353 0.799 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334589151 354216785 /nfs/dbraw/zinc/21/67/85/354216785.db2.gz KUMPNPOEGQFGDD-ZDUSSCGKSA-N 2 1 237.347 0.294 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334589151 354216787 /nfs/dbraw/zinc/21/67/87/354216787.db2.gz KUMPNPOEGQFGDD-ZDUSSCGKSA-N 2 1 237.347 0.294 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000334614745 354300215 /nfs/dbraw/zinc/30/02/15/354300215.db2.gz DRBVYCBUOKVIMB-WDEREUQCSA-N 3 1 247.333 0.963 20 0 BCADMP CN(C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344625075 354329352 /nfs/dbraw/zinc/32/93/52/354329352.db2.gz WEUVQZIMRLGNNN-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344625075 354329355 /nfs/dbraw/zinc/32/93/55/354329355.db2.gz WEUVQZIMRLGNNN-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334722811 354522852 /nfs/dbraw/zinc/52/28/52/354522852.db2.gz KNSLPGGQHMDNRG-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000345327951 354611769 /nfs/dbraw/zinc/61/17/69/354611769.db2.gz UMBRKEFUIXVEPF-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345327951 354611773 /nfs/dbraw/zinc/61/17/73/354611773.db2.gz UMBRKEFUIXVEPF-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345327951 354611776 /nfs/dbraw/zinc/61/17/76/354611776.db2.gz UMBRKEFUIXVEPF-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCOCC[NH+](C)C ZINC000345956539 354819931 /nfs/dbraw/zinc/81/99/31/354819931.db2.gz KLUYACSJSTZPLI-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](COC)C1 ZINC000234392262 363421474 /nfs/dbraw/zinc/42/14/74/363421474.db2.gz SDOZPTHAHZSVAK-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C)CCC[N@@H+]1C ZINC000346072527 354857352 /nfs/dbraw/zinc/85/73/52/354857352.db2.gz UYIOOWLPXGTDKN-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C)CCC[N@H+]1C ZINC000346072527 354857356 /nfs/dbraw/zinc/85/73/56/354857356.db2.gz UYIOOWLPXGTDKN-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685152 355011591 /nfs/dbraw/zinc/01/15/91/355011591.db2.gz QGOZDIBHBDZAHJ-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685152 355011594 /nfs/dbraw/zinc/01/15/94/355011594.db2.gz QGOZDIBHBDZAHJ-MNOVXSKESA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000335228071 355069951 /nfs/dbraw/zinc/06/99/51/355069951.db2.gz JCZBBWRZUGMKOQ-WCBMZHEXSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693022 355076109 /nfs/dbraw/zinc/07/61/09/355076109.db2.gz KJPMDRYGEWXMFM-JQWIXIFHSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000346693022 355076113 /nfs/dbraw/zinc/07/61/13/355076113.db2.gz KJPMDRYGEWXMFM-JQWIXIFHSA-N 2 1 249.362 0.712 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000335220976 355061014 /nfs/dbraw/zinc/06/10/14/355061014.db2.gz YGOSXLROQKTOOX-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000335220976 355061016 /nfs/dbraw/zinc/06/10/16/355061016.db2.gz YGOSXLROQKTOOX-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000335220976 355061017 /nfs/dbraw/zinc/06/10/17/355061017.db2.gz YGOSXLROQKTOOX-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@@H+](CCn1cncn1)[C@H]1CCC[NH2+]CC1 ZINC000435629756 191325326 /nfs/dbraw/zinc/32/53/26/191325326.db2.gz YDYLKPXMRPRRGT-LBPRGKRZSA-N 2 1 237.351 0.742 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346831270 355129333 /nfs/dbraw/zinc/12/93/33/355129333.db2.gz KISPVCXGFFORLG-NSHDSACASA-N 2 1 226.320 0.481 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346832645 355129646 /nfs/dbraw/zinc/12/96/46/355129646.db2.gz RHZFAQMLXIOKQL-ZMLRMANQSA-N 2 1 220.320 0.887 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346836330 355131577 /nfs/dbraw/zinc/13/15/77/355131577.db2.gz OZTDNAOZXRCHGU-LBPRGKRZSA-N 2 1 240.347 0.871 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503640 358493786 /nfs/dbraw/zinc/49/37/86/358493786.db2.gz WXLANANQACWFBT-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002296 355200845 /nfs/dbraw/zinc/20/08/45/355200845.db2.gz ITEJVSYYUJIXGT-VXGBXAGGSA-N 2 1 239.363 0.573 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000352016114 134036363 /nfs/dbraw/zinc/03/63/63/134036363.db2.gz VCMZXBWKWWSVHU-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000352016114 134036364 /nfs/dbraw/zinc/03/63/64/134036364.db2.gz VCMZXBWKWWSVHU-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000352016114 134036365 /nfs/dbraw/zinc/03/63/65/134036365.db2.gz VCMZXBWKWWSVHU-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352016114 134036366 /nfs/dbraw/zinc/03/63/66/134036366.db2.gz VCMZXBWKWWSVHU-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249898190 535282787 /nfs/dbraw/zinc/28/27/87/535282787.db2.gz VKZCUHBMWMURGH-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249898190 535282789 /nfs/dbraw/zinc/28/27/89/535282789.db2.gz VKZCUHBMWMURGH-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623748936 355297523 /nfs/dbraw/zinc/29/75/23/355297523.db2.gz OJWXEDZOSYKUIN-ZDEQEGDKSA-N 2 1 224.348 0.974 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000583502552 355331137 /nfs/dbraw/zinc/33/11/37/355331137.db2.gz UXETWNLHXNSOAJ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000166352982 355387121 /nfs/dbraw/zinc/38/71/21/355387121.db2.gz HYAFWPUHZFKSDY-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794760 355450664 /nfs/dbraw/zinc/45/06/64/355450664.db2.gz MYOCHWSGIYFQNJ-ZIAGYGMSSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794760 355450666 /nfs/dbraw/zinc/45/06/66/355450666.db2.gz MYOCHWSGIYFQNJ-ZIAGYGMSSA-N 2 1 237.391 0.917 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984338 355569739 /nfs/dbraw/zinc/56/97/39/355569739.db2.gz DCOUWQNABKRDJC-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000582181804 355646240 /nfs/dbraw/zinc/64/62/40/355646240.db2.gz RUJZUEHGOKSNAP-YNEHKIRRSA-N 3 1 241.379 0.472 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600682 355814759 /nfs/dbraw/zinc/81/47/59/355814759.db2.gz QCZWVLGCFBNUSA-CHWSQXEVSA-N 2 1 244.379 0.702 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600682 355814764 /nfs/dbraw/zinc/81/47/64/355814764.db2.gz QCZWVLGCFBNUSA-CHWSQXEVSA-N 2 1 244.379 0.702 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]12 ZINC000351488177 355999871 /nfs/dbraw/zinc/99/98/71/355999871.db2.gz DXWIAYJGXAXAPJ-SDDRHHMPSA-N 2 1 237.347 0.278 20 0 BCADMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617553722 356110768 /nfs/dbraw/zinc/11/07/68/356110768.db2.gz OVURQJOWIWPDPV-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000617556773 356114294 /nfs/dbraw/zinc/11/42/94/356114294.db2.gz XHUCGKCVRJPWFA-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617556773 356114298 /nfs/dbraw/zinc/11/42/98/356114298.db2.gz XHUCGKCVRJPWFA-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867614 356102172 /nfs/dbraw/zinc/10/21/72/356102172.db2.gz YXNVNQFCPHHGLM-QJPTWQEYSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867616 356102538 /nfs/dbraw/zinc/10/25/38/356102538.db2.gz YXNVNQFCPHHGLM-SRVKXCTJSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+](C)C ZINC000336084041 134076051 /nfs/dbraw/zinc/07/60/51/134076051.db2.gz VFEFSSXGSFJOIP-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@H+]1CCCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418281443 192014051 /nfs/dbraw/zinc/01/40/51/192014051.db2.gz DFFXSLGHJVVRQC-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH3+] ZINC000418311524 192021761 /nfs/dbraw/zinc/02/17/61/192021761.db2.gz LZSIXHQODNHJNW-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP C[N@@H+]1CCCC12CC[NH+](CCOCCO)CC2 ZINC000374598696 192016315 /nfs/dbraw/zinc/01/63/15/192016315.db2.gz ZYEYSTVEBTYQSD-UHFFFAOYSA-N 2 1 242.363 0.556 20 0 BCADMP C[N@H+]1CCCC12CC[NH+](CCOCCO)CC2 ZINC000374598696 192016318 /nfs/dbraw/zinc/01/63/18/192016318.db2.gz ZYEYSTVEBTYQSD-UHFFFAOYSA-N 2 1 242.363 0.556 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000331849295 356203745 /nfs/dbraw/zinc/20/37/45/356203745.db2.gz MBSPOZVTPGNHGJ-LLVKDONJSA-N 2 1 240.351 0.071 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCCCC[NH3+] ZINC000420243413 192184399 /nfs/dbraw/zinc/18/43/99/192184399.db2.gz XMXPRSMJNRINTO-UHFFFAOYSA-N 2 1 237.303 0.831 20 0 BCADMP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000639456090 356241045 /nfs/dbraw/zinc/24/10/45/356241045.db2.gz AGDOWRLCKANYPC-TUAOUCFPSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000617760942 356323721 /nfs/dbraw/zinc/32/37/21/356323721.db2.gz JVPZQWNXVRKCGK-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000420301340 192207480 /nfs/dbraw/zinc/20/74/80/192207480.db2.gz VNRJGQRGFXGZLQ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420319083 192195148 /nfs/dbraw/zinc/19/51/48/192195148.db2.gz OUWBHBDHOYRENH-WDEREUQCSA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420319080 192195261 /nfs/dbraw/zinc/19/52/61/192195261.db2.gz OUWBHBDHOYRENH-QWRGUYRKSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)[C@H](C)[NH3+] ZINC000420269252 192195594 /nfs/dbraw/zinc/19/55/94/192195594.db2.gz SYKAJQBRLKFLCU-IUCAKERBSA-N 2 1 237.303 0.828 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319875 192195873 /nfs/dbraw/zinc/19/58/73/192195873.db2.gz ASFDWZPPZMKQSD-QWHCGFSZSA-N 3 1 241.379 0.283 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319228 192196001 /nfs/dbraw/zinc/19/60/01/192196001.db2.gz RINUTRYUKYXLHL-MJBXVCDLSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319228 192196004 /nfs/dbraw/zinc/19/60/04/192196004.db2.gz RINUTRYUKYXLHL-MJBXVCDLSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)N1 ZINC000420301341 192207069 /nfs/dbraw/zinc/20/70/69/192207069.db2.gz VNRJGQRGFXGZLQ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000420301341 192207070 /nfs/dbraw/zinc/20/70/70/192207070.db2.gz VNRJGQRGFXGZLQ-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617752375 356311507 /nfs/dbraw/zinc/31/15/07/356311507.db2.gz MVTNLYLTGSLJDX-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H](CN1CCOCC1)N(C)CC(C)(C)C[NH3+] ZINC000420289985 192201236 /nfs/dbraw/zinc/20/12/36/192201236.db2.gz LAWUTOYIFHBOMN-GFCCVEGCSA-N 2 1 243.395 0.624 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420303971 192207178 /nfs/dbraw/zinc/20/71/78/192207178.db2.gz IDXRSKFLKVBMLJ-GARJFASQSA-N 2 1 226.320 0.609 20 0 BCADMP COC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295268 192202481 /nfs/dbraw/zinc/20/24/81/192202481.db2.gz CCGJIAPFDYQIIW-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420313489 192213144 /nfs/dbraw/zinc/21/31/44/192213144.db2.gz UCPFVKWWCYYLOG-QWRGUYRKSA-N 2 1 228.336 0.997 20 0 BCADMP C[NH2+]CCN(C)CCCn1cc[nH+]c1C ZINC000420331811 192213961 /nfs/dbraw/zinc/21/39/61/192213961.db2.gz ALGXBMAQNUCNOY-UHFFFAOYSA-N 2 1 210.325 0.733 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420331875 192214070 /nfs/dbraw/zinc/21/40/70/192214070.db2.gz MQGCAIYSLGZLFA-UHFFFAOYSA-N 3 1 211.353 0.798 20 0 BCADMP COC(=O)CC1(C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000420335067 192214339 /nfs/dbraw/zinc/21/43/39/192214339.db2.gz OYDKJAQYDQYNII-UHFFFAOYSA-N 2 1 226.320 0.751 20 0 BCADMP COC(=O)CC1(C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000420335067 192214340 /nfs/dbraw/zinc/21/43/40/192214340.db2.gz OYDKJAQYDQYNII-UHFFFAOYSA-N 2 1 226.320 0.751 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330484 192214797 /nfs/dbraw/zinc/21/47/97/192214797.db2.gz PVKLZYBLVIKFIK-QJPTWQEYSA-N 2 1 240.347 0.869 20 0 BCADMP CNC(=O)c1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420338542 192216191 /nfs/dbraw/zinc/21/61/91/192216191.db2.gz RWCOSFFHIRXGDB-UHFFFAOYSA-N 2 1 247.342 0.968 20 0 BCADMP CNC(=O)c1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420338542 192216193 /nfs/dbraw/zinc/21/61/93/192216193.db2.gz RWCOSFFHIRXGDB-UHFFFAOYSA-N 2 1 247.342 0.968 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420307458 192208228 /nfs/dbraw/zinc/20/82/28/192208228.db2.gz MIBMFHAPHUQETE-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420307458 192208230 /nfs/dbraw/zinc/20/82/30/192208230.db2.gz MIBMFHAPHUQETE-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP O=C1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1C1CC1 ZINC000420307151 192209613 /nfs/dbraw/zinc/20/96/13/192209613.db2.gz RHEAJQFBRROOSD-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1C1CC1 ZINC000420307151 192209616 /nfs/dbraw/zinc/20/96/16/192209616.db2.gz RHEAJQFBRROOSD-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307585 192209753 /nfs/dbraw/zinc/20/97/53/192209753.db2.gz RLSDGOVOUSEVFN-RYUDHWBXSA-N 2 1 239.363 0.442 20 0 BCADMP CCOC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000420308780 192209951 /nfs/dbraw/zinc/20/99/51/192209951.db2.gz DEZBXISPOGYKGT-JTQLQIEISA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420308780 192209954 /nfs/dbraw/zinc/20/99/54/192209954.db2.gz DEZBXISPOGYKGT-JTQLQIEISA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420308780 192209956 /nfs/dbraw/zinc/20/99/56/192209956.db2.gz DEZBXISPOGYKGT-JTQLQIEISA-N 2 1 214.309 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420309697 192210860 /nfs/dbraw/zinc/21/08/60/192210860.db2.gz FBOOAVCIVIXEDD-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420313487 192212157 /nfs/dbraw/zinc/21/21/57/192212157.db2.gz UCPFVKWWCYYLOG-GHMZBOCLSA-N 2 1 228.336 0.997 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000420314151 192212536 /nfs/dbraw/zinc/21/25/36/192212536.db2.gz YXQHAGLAUVSMBH-QMMMGPOBSA-N 2 1 226.242 0.724 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000420314151 192212539 /nfs/dbraw/zinc/21/25/39/192212539.db2.gz YXQHAGLAUVSMBH-QMMMGPOBSA-N 2 1 226.242 0.724 20 0 BCADMP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccncc2)CC1 ZINC000420370049 192227412 /nfs/dbraw/zinc/22/74/12/192227412.db2.gz YGZVUXTYCXELBY-GFCCVEGCSA-N 2 1 234.347 0.546 20 0 BCADMP CCC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420370866 192227490 /nfs/dbraw/zinc/22/74/90/192227490.db2.gz ZIPIVQQLUWWHDZ-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP CCC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420370866 192227492 /nfs/dbraw/zinc/22/74/92/192227492.db2.gz ZIPIVQQLUWWHDZ-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420370185 192227677 /nfs/dbraw/zinc/22/76/77/192227677.db2.gz OUIMTSKHLCUOGG-FDYHWXHSSA-N 3 1 225.380 0.962 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOCC2(CCC2)C1 ZINC000420372186 192228954 /nfs/dbraw/zinc/22/89/54/192228954.db2.gz LJRSHMWSTBWGPT-UHFFFAOYSA-N 2 1 228.336 0.464 20 0 BCADMP C[C@H]1CN(CC[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000420328983 192229332 /nfs/dbraw/zinc/22/93/32/192229332.db2.gz IPLZWINDGFPPIY-UNXYVOJBSA-N 2 1 227.352 0.129 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329520 192230011 /nfs/dbraw/zinc/23/00/11/192230011.db2.gz OMOGCSYQJDKUAY-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324324 192230342 /nfs/dbraw/zinc/23/03/42/192230342.db2.gz VJEHQQVNVDZHNP-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420357026 192220006 /nfs/dbraw/zinc/22/00/06/192220006.db2.gz HJYSHGKAHPDBIQ-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000639537578 356390076 /nfs/dbraw/zinc/39/00/76/356390076.db2.gz ZAMSXUZQYLPGJR-SNVBAGLBSA-N 2 1 238.335 0.452 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000420361162 192221690 /nfs/dbraw/zinc/22/16/90/192221690.db2.gz MUHGSLAJCNTOEP-ZDUSSCGKSA-N 2 1 242.363 0.710 20 0 BCADMP COCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420365672 192224207 /nfs/dbraw/zinc/22/42/07/192224207.db2.gz LKIHDHNCILUKQU-HBNTYKKESA-N 2 1 200.326 0.999 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCn1cccn1 ZINC000420363836 192224321 /nfs/dbraw/zinc/22/43/21/192224321.db2.gz OFSQEDDGDPLYQP-SNVBAGLBSA-N 2 1 210.325 0.846 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000420363884 192224684 /nfs/dbraw/zinc/22/46/84/192224684.db2.gz PYHLCZLMOPKNRY-NSHDSACASA-N 2 1 214.309 0.073 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367771 192225002 /nfs/dbraw/zinc/22/50/02/192225002.db2.gz WCFUGAKUJXIOHR-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCOC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367151 192225209 /nfs/dbraw/zinc/22/52/09/192225209.db2.gz MPPCSGWTIMBTNV-JBLDHEPKSA-N 2 1 228.336 0.916 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420366443 192225533 /nfs/dbraw/zinc/22/55/33/192225533.db2.gz UOZYLSMLZGZABM-CYBMUJFWSA-N 2 1 241.379 0.248 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389877 192235757 /nfs/dbraw/zinc/23/57/57/192235757.db2.gz MIIZWWZEGVSXSZ-STQMWFEESA-N 2 1 242.363 0.995 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]C1(CO)CCCC1 ZINC000639557336 356462072 /nfs/dbraw/zinc/46/20/72/356462072.db2.gz POOOXTSCXBAOOM-UHFFFAOYSA-N 2 1 223.320 0.857 20 0 BCADMP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843088 356486158 /nfs/dbraw/zinc/48/61/58/356486158.db2.gz ZOHIWJBBYGWYLQ-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843088 356486161 /nfs/dbraw/zinc/48/61/61/356486161.db2.gz ZOHIWJBBYGWYLQ-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCOC1 ZINC000261527786 535308870 /nfs/dbraw/zinc/30/88/70/535308870.db2.gz HCZKLWDXWFSTNV-GHMZBOCLSA-N 2 1 200.326 0.986 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000336212382 134135165 /nfs/dbraw/zinc/13/51/65/134135165.db2.gz SGGPTKKFZYMXLX-NSHDSACASA-N 2 1 243.326 0.418 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000630088402 363485496 /nfs/dbraw/zinc/48/54/96/363485496.db2.gz BHOOCCAHPWAHNZ-NSHDSACASA-N 2 1 248.330 0.592 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1([NH3+])CCC1 ZINC000336215751 134136757 /nfs/dbraw/zinc/13/67/57/134136757.db2.gz HJQQFBZRUUFKHM-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422981608 192517814 /nfs/dbraw/zinc/51/78/14/192517814.db2.gz TXPYLUDXLFFLPZ-QJPTWQEYSA-N 2 1 230.352 0.504 20 0 BCADMP C(C[NH+]1CCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056521 538478971 /nfs/dbraw/zinc/47/89/71/538478971.db2.gz LWQOJVZQLCYFHH-YHWZYXNKSA-N 2 1 223.364 0.812 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000167764107 134153671 /nfs/dbraw/zinc/15/36/71/134153671.db2.gz IAQOIFURAKDPMF-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000167764107 134153672 /nfs/dbraw/zinc/15/36/72/134153672.db2.gz IAQOIFURAKDPMF-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761860 356679557 /nfs/dbraw/zinc/67/95/57/356679557.db2.gz FMTAQFZVIKYROW-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000168021348 134155217 /nfs/dbraw/zinc/15/52/17/134155217.db2.gz RAEMDBDZAURNMP-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168021348 134155218 /nfs/dbraw/zinc/15/52/18/134155218.db2.gz RAEMDBDZAURNMP-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000639763208 356688939 /nfs/dbraw/zinc/68/89/39/356688939.db2.gz WEHTXKHIMZTOAH-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000639763208 356688941 /nfs/dbraw/zinc/68/89/41/356688941.db2.gz WEHTXKHIMZTOAH-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP CN(C)C[C@]1(O)CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000639764625 356691137 /nfs/dbraw/zinc/69/11/37/356691137.db2.gz HQCQLBDDVCBJEV-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000639764625 356691141 /nfs/dbraw/zinc/69/11/41/356691141.db2.gz HQCQLBDDVCBJEV-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000639764625 356691144 /nfs/dbraw/zinc/69/11/44/356691144.db2.gz HQCQLBDDVCBJEV-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP COCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766077 356696110 /nfs/dbraw/zinc/69/61/10/356696110.db2.gz LMTDQMSBHZSMSG-LLVKDONJSA-N 2 1 216.325 0.021 20 0 BCADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767142 356696574 /nfs/dbraw/zinc/69/65/74/356696574.db2.gz PZHBZSFKYRYFNS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767142 356696575 /nfs/dbraw/zinc/69/65/75/356696575.db2.gz PZHBZSFKYRYFNS-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP COC(=O)C1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000450399596 202153941 /nfs/dbraw/zinc/15/39/41/202153941.db2.gz DNPAXAOWQWTHDT-LLVKDONJSA-N 2 1 240.347 0.823 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036190050 356706708 /nfs/dbraw/zinc/70/67/08/356706708.db2.gz SYVOFLNKVQHLQI-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CO[C@@H](C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769296 356708728 /nfs/dbraw/zinc/70/87/28/356708728.db2.gz XNQCPFCVRHDSOY-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769296 356708729 /nfs/dbraw/zinc/70/87/29/356708729.db2.gz XNQCPFCVRHDSOY-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP COCC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639766077 356696102 /nfs/dbraw/zinc/69/61/02/356696102.db2.gz LMTDQMSBHZSMSG-LLVKDONJSA-N 2 1 216.325 0.021 20 0 BCADMP COCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766077 356696106 /nfs/dbraw/zinc/69/61/06/356696106.db2.gz LMTDQMSBHZSMSG-LLVKDONJSA-N 2 1 216.325 0.021 20 0 BCADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335625 356721416 /nfs/dbraw/zinc/72/14/16/356721416.db2.gz WCSXWLPRYVEPJA-UWVGGRQHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CCCO)CC1(C)C ZINC000623336485 356723843 /nfs/dbraw/zinc/72/38/43/356723843.db2.gz QPKOOBBDMPMRKA-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP CN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339960 356737063 /nfs/dbraw/zinc/73/70/63/356737063.db2.gz RFHFCRHTKDTXPU-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339960 356737064 /nfs/dbraw/zinc/73/70/64/356737064.db2.gz RFHFCRHTKDTXPU-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339961 356737085 /nfs/dbraw/zinc/73/70/85/356737085.db2.gz RFHFCRHTKDTXPU-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP CN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339961 356737086 /nfs/dbraw/zinc/73/70/86/356737086.db2.gz RFHFCRHTKDTXPU-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000358842180 356878499 /nfs/dbraw/zinc/87/84/99/356878499.db2.gz WQTQURUGMKKYMM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259151 356864955 /nfs/dbraw/zinc/86/49/55/356864955.db2.gz UMVNSSLEGJTEJY-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259151 356864960 /nfs/dbraw/zinc/86/49/60/356864960.db2.gz UMVNSSLEGJTEJY-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380510 356903949 /nfs/dbraw/zinc/90/39/49/356903949.db2.gz BRIKGQXYYHJLOI-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000389570063 356992891 /nfs/dbraw/zinc/99/28/91/356992891.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000389570063 356992893 /nfs/dbraw/zinc/99/28/93/356992893.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000389570063 356992895 /nfs/dbraw/zinc/99/28/95/356992895.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@H](C)O ZINC000389570063 356992896 /nfs/dbraw/zinc/99/28/96/356992896.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000389570063 356992898 /nfs/dbraw/zinc/99/28/98/356992898.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000389570063 356992900 /nfs/dbraw/zinc/99/29/00/356992900.db2.gz BHOJZKDIZWYYQU-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000362910641 356950707 /nfs/dbraw/zinc/95/07/07/356950707.db2.gz LFCBKCLXGPMVPW-FNORWQNLSA-N 2 1 239.363 0.658 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)CN(C)CC ZINC000389675043 357013725 /nfs/dbraw/zinc/01/37/25/357013725.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CCC[N@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000389675043 357013734 /nfs/dbraw/zinc/01/37/34/357013734.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000389675043 357013736 /nfs/dbraw/zinc/01/37/36/357013736.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@H+](C)CC ZINC000389675043 357013739 /nfs/dbraw/zinc/01/37/39/357013739.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000389675043 357013743 /nfs/dbraw/zinc/01/37/43/357013743.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 1 218.341 0.003 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCOCC1 ZINC000390633278 357108381 /nfs/dbraw/zinc/10/83/81/357108381.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCOCC1 ZINC000390633278 357108383 /nfs/dbraw/zinc/10/83/83/357108383.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCOCC1 ZINC000390633278 357108384 /nfs/dbraw/zinc/10/83/84/357108384.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCOCC1 ZINC000390633278 357108387 /nfs/dbraw/zinc/10/83/87/357108387.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248762 192651062 /nfs/dbraw/zinc/65/10/62/192651062.db2.gz NSOBSFVEBKUXGH-UTUOFQBUSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392824600 357239980 /nfs/dbraw/zinc/23/99/80/357239980.db2.gz USRJLCFQVMCJGW-LLVKDONJSA-N 2 1 237.347 0.505 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392824600 357239983 /nfs/dbraw/zinc/23/99/83/357239983.db2.gz USRJLCFQVMCJGW-LLVKDONJSA-N 2 1 237.347 0.505 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000393564976 357287694 /nfs/dbraw/zinc/28/76/94/357287694.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000393564976 357287697 /nfs/dbraw/zinc/28/76/97/357287697.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000393564976 357287700 /nfs/dbraw/zinc/28/77/00/357287700.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)O)C1 ZINC000393772064 357298557 /nfs/dbraw/zinc/29/85/57/357298557.db2.gz HRTGSVXWGRAGGA-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)O)C1 ZINC000393772064 357298558 /nfs/dbraw/zinc/29/85/58/357298558.db2.gz HRTGSVXWGRAGGA-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000393772064 357298559 /nfs/dbraw/zinc/29/85/59/357298559.db2.gz HRTGSVXWGRAGGA-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000393772064 357298560 /nfs/dbraw/zinc/29/85/60/357298560.db2.gz HRTGSVXWGRAGGA-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CCCC1(C)C ZINC000393882839 357304972 /nfs/dbraw/zinc/30/49/72/357304972.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP O=C(C[NH2+]CC1CC1)NCC[N@@H+]1CC=CCC1 ZINC000392843652 357245430 /nfs/dbraw/zinc/24/54/30/357245430.db2.gz VOUBDLXPNRTEKX-UHFFFAOYSA-N 2 1 237.347 0.364 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392857763 357254124 /nfs/dbraw/zinc/25/41/24/357254124.db2.gz MNOYPDXYXOHCGB-LLVKDONJSA-N 2 1 225.336 0.348 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217362535 357259938 /nfs/dbraw/zinc/25/99/38/357259938.db2.gz JHOFEGXERBREBJ-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP O=C(C[NH2+]C1CC1)NCC[N@@H+]1CC=CCC1 ZINC000392875203 357261610 /nfs/dbraw/zinc/26/16/10/357261610.db2.gz FXGMQTIWNWFEIX-UHFFFAOYSA-N 2 1 223.320 0.117 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490291 357319587 /nfs/dbraw/zinc/31/95/87/357319587.db2.gz ACPHNMAPTHDRNC-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)COC1 ZINC000393965424 357321977 /nfs/dbraw/zinc/32/19/77/357321977.db2.gz NQXVQDOOTAPFEQ-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)COC1 ZINC000393965424 357321981 /nfs/dbraw/zinc/32/19/81/357321981.db2.gz NQXVQDOOTAPFEQ-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000394479666 357351235 /nfs/dbraw/zinc/35/12/35/357351235.db2.gz CNCGXUKUQLIBBR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000394479666 357351239 /nfs/dbraw/zinc/35/12/39/357351239.db2.gz CNCGXUKUQLIBBR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000394479666 357351244 /nfs/dbraw/zinc/35/12/44/357351244.db2.gz CNCGXUKUQLIBBR-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000582736713 357377622 /nfs/dbraw/zinc/37/76/22/357377622.db2.gz GOYLTWACBJUKMN-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247016 357404021 /nfs/dbraw/zinc/40/40/21/357404021.db2.gz RHXPHGOBIQTNCB-VIFPVBQESA-N 2 1 200.282 0.220 20 0 BCADMP Cn1nncc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000395040589 357409690 /nfs/dbraw/zinc/40/96/90/357409690.db2.gz XNCBQJOGZMXBHX-PHIMTYICSA-N 2 1 235.335 0.247 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C ZINC000582844350 357415101 /nfs/dbraw/zinc/41/51/01/357415101.db2.gz JBYGEQPUXWLWJO-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023699 357452483 /nfs/dbraw/zinc/45/24/83/357452483.db2.gz GJYRLVSOGAFTIQ-MNOVXSKESA-N 2 1 227.352 0.713 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000230710800 357572953 /nfs/dbraw/zinc/57/29/53/357572953.db2.gz GHYRUSJJDAJYCH-JTQLQIEISA-N 2 1 245.392 0.449 20 0 BCADMP CC(C)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178481 357552741 /nfs/dbraw/zinc/55/27/41/357552741.db2.gz FUBNUMPKDRUQOG-LBPRGKRZSA-N 2 1 241.379 0.819 20 0 BCADMP CCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178694 357552908 /nfs/dbraw/zinc/55/29/08/357552908.db2.gz HAKCACGZBSXQBY-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[N@@H+](C)C(C)C ZINC000063465858 357659633 /nfs/dbraw/zinc/65/96/33/357659633.db2.gz DPJZIIGDDSGADU-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CC(C)(C[NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392853397 357686651 /nfs/dbraw/zinc/68/66/51/357686651.db2.gz BBIHUPYSBQHVSG-UHFFFAOYSA-N 2 1 225.336 0.349 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000086067255 357810185 /nfs/dbraw/zinc/81/01/85/357810185.db2.gz DJUHIWCESPSTHL-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192471714 357835418 /nfs/dbraw/zinc/83/54/18/357835418.db2.gz DJJWMVKAPKKQIM-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235371999 357868114 /nfs/dbraw/zinc/86/81/14/357868114.db2.gz AFRSBEZGIVYQIR-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000235371999 357868118 /nfs/dbraw/zinc/86/81/18/357868118.db2.gz AFRSBEZGIVYQIR-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398375142 357884350 /nfs/dbraw/zinc/88/43/50/357884350.db2.gz KIERQYHBNPNHBY-AAEUAGOBSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398375142 357884353 /nfs/dbraw/zinc/88/43/53/357884353.db2.gz KIERQYHBNPNHBY-AAEUAGOBSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]1 ZINC000235669078 357927216 /nfs/dbraw/zinc/92/72/16/357927216.db2.gz OUSKZRIEJJRGMW-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]1 ZINC000235682452 357927970 /nfs/dbraw/zinc/92/79/70/357927970.db2.gz OUSKZRIEJJRGMW-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC[NH2+]C1CC1 ZINC000220046810 358024348 /nfs/dbraw/zinc/02/43/48/358024348.db2.gz CTKHYQJUWNEOTD-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000036871367 358055877 /nfs/dbraw/zinc/05/58/77/358055877.db2.gz FXKXMVMLOAVYOC-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037484894 358073173 /nfs/dbraw/zinc/07/31/73/358073173.db2.gz XMMQGGJSKJBKQH-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CO[C@@]1(C[NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000160323713 358076483 /nfs/dbraw/zinc/07/64/83/358076483.db2.gz ASUCCGIYZIJKOO-GFCCVEGCSA-N 2 1 239.319 0.587 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618227 358084199 /nfs/dbraw/zinc/08/41/99/358084199.db2.gz OUAIMLQCIRXUIY-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1cncn1 ZINC000583874757 358093920 /nfs/dbraw/zinc/09/39/20/358093920.db2.gz IAFYDLJCIGTLJL-VWYCJHECSA-N 2 1 223.324 0.254 20 0 BCADMP CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124908 358117268 /nfs/dbraw/zinc/11/72/68/358117268.db2.gz TVBQJDMINZTRSY-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065697 358153573 /nfs/dbraw/zinc/15/35/73/358153573.db2.gz ZSRIVVNBRVZYDB-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584850671 358209247 /nfs/dbraw/zinc/20/92/47/358209247.db2.gz QFLDGONIUYMNQH-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584850671 358209250 /nfs/dbraw/zinc/20/92/50/358209250.db2.gz QFLDGONIUYMNQH-QWHCGFSZSA-N 3 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584850671 358209252 /nfs/dbraw/zinc/20/92/52/358209252.db2.gz QFLDGONIUYMNQH-QWHCGFSZSA-N 3 1 243.395 0.814 20 0 BCADMP COCCN(C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584850671 358209257 /nfs/dbraw/zinc/20/92/57/358209257.db2.gz QFLDGONIUYMNQH-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584850670 358209456 /nfs/dbraw/zinc/20/94/56/358209456.db2.gz QFLDGONIUYMNQH-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584850670 358209458 /nfs/dbraw/zinc/20/94/58/358209458.db2.gz QFLDGONIUYMNQH-OLZOCXBDSA-N 3 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584850670 358209459 /nfs/dbraw/zinc/20/94/59/358209459.db2.gz QFLDGONIUYMNQH-OLZOCXBDSA-N 3 1 243.395 0.814 20 0 BCADMP COCCN(C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584850670 358209460 /nfs/dbraw/zinc/20/94/60/358209460.db2.gz QFLDGONIUYMNQH-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000040624440 358243978 /nfs/dbraw/zinc/24/39/78/358243978.db2.gz AGWAACZGTXWJKZ-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP CCOCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000083552473 491126493 /nfs/dbraw/zinc/12/64/93/491126493.db2.gz WUKMFRBACCPDGI-UHFFFAOYSA-N 2 1 229.368 0.250 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)C[NH3+] ZINC000218875331 134265446 /nfs/dbraw/zinc/26/54/46/134265446.db2.gz MPDKQOFEHYXRND-SNVBAGLBSA-N 2 1 215.341 0.429 20 0 BCADMP COC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225713288 358331591 /nfs/dbraw/zinc/33/15/91/358331591.db2.gz AMIQBOVPCKCZJV-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401739 358338932 /nfs/dbraw/zinc/33/89/32/358338932.db2.gz BPZITIVFACUFMC-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401739 358338934 /nfs/dbraw/zinc/33/89/34/358338934.db2.gz BPZITIVFACUFMC-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CCCC[NH3+] ZINC000227833549 358364437 /nfs/dbraw/zinc/36/44/37/358364437.db2.gz CWPNFLPUIXGNFZ-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000043605774 358384456 /nfs/dbraw/zinc/38/44/56/358384456.db2.gz QHKGXEORLNOXEI-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000044725578 358392524 /nfs/dbraw/zinc/39/25/24/358392524.db2.gz QDUZDNVTXACRNN-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@H]1CN(CC[NH+]2CCC([NH3+])CC2)CCO1 ZINC000086206318 358448451 /nfs/dbraw/zinc/44/84/51/358448451.db2.gz JTEVQILVCVQRBX-NSHDSACASA-N 2 1 227.352 0.130 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCC([NH3+])CC2)CCO1 ZINC000086206318 358448454 /nfs/dbraw/zinc/44/84/54/358448454.db2.gz JTEVQILVCVQRBX-NSHDSACASA-N 2 1 227.352 0.130 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCC([NH3+])CC2)CCO1 ZINC000086206318 358448457 /nfs/dbraw/zinc/44/84/57/358448457.db2.gz JTEVQILVCVQRBX-NSHDSACASA-N 2 1 227.352 0.130 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000045135576 358417813 /nfs/dbraw/zinc/41/78/13/358417813.db2.gz TYXWYLDIRDPVBW-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598823 358433936 /nfs/dbraw/zinc/43/39/36/358433936.db2.gz SWHNWXBMVQVKAY-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193598823 358433942 /nfs/dbraw/zinc/43/39/42/358433942.db2.gz SWHNWXBMVQVKAY-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193598823 358433947 /nfs/dbraw/zinc/43/39/47/358433947.db2.gz SWHNWXBMVQVKAY-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726724 358552851 /nfs/dbraw/zinc/55/28/51/358552851.db2.gz BCSCPJHJYOHSDC-CMPLNLGQSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000086270764 358567256 /nfs/dbraw/zinc/56/72/56/358567256.db2.gz DWYSSELZBUHJKG-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000086270763 358567340 /nfs/dbraw/zinc/56/73/40/358567340.db2.gz DWYSSELZBUHJKG-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CCCC[N@@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493648 358538781 /nfs/dbraw/zinc/53/87/81/358538781.db2.gz AOEYZLZDUAXRJB-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493648 358538787 /nfs/dbraw/zinc/53/87/87/358538787.db2.gz AOEYZLZDUAXRJB-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cnnn1C ZINC000129751974 358595777 /nfs/dbraw/zinc/59/57/77/358595777.db2.gz KMXCVRSLSFBBRE-KOLCDFICSA-N 2 1 223.324 0.245 20 0 BCADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000131209440 358666105 /nfs/dbraw/zinc/66/61/05/358666105.db2.gz HEWXWINXFDJVBK-JTQLQIEISA-N 2 1 237.328 0.746 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@H+]1C ZINC000132355185 491135502 /nfs/dbraw/zinc/13/55/02/491135502.db2.gz MLMJIWKPROKQQN-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH2+]CC1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000131832557 358696000 /nfs/dbraw/zinc/69/60/00/358696000.db2.gz LTOIDGWXYMDEQQ-SNVBAGLBSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000133655580 358762659 /nfs/dbraw/zinc/76/26/59/358762659.db2.gz UFIICKUXOMUXEI-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000133655580 358762660 /nfs/dbraw/zinc/76/26/60/358762660.db2.gz UFIICKUXOMUXEI-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249196 358722323 /nfs/dbraw/zinc/72/23/23/358722323.db2.gz HHPYPQMXBUVBBT-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249196 358722326 /nfs/dbraw/zinc/72/23/26/358722326.db2.gz HHPYPQMXBUVBBT-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132926673 358739538 /nfs/dbraw/zinc/73/95/38/358739538.db2.gz OUZCBRTVRAXPCX-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132974768 358740812 /nfs/dbraw/zinc/74/08/12/358740812.db2.gz MNCNNPRXMOZKPN-TUAOUCFPSA-N 2 1 241.379 0.959 20 0 BCADMP CCC[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298659 358820982 /nfs/dbraw/zinc/82/09/82/358820982.db2.gz NMAJRCMPUCQILQ-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nncn1C ZINC000086403008 358967382 /nfs/dbraw/zinc/96/73/82/358967382.db2.gz GDKLXWJGJDFOQN-LPEHRKFASA-N 2 1 223.324 0.736 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931454 358921244 /nfs/dbraw/zinc/92/12/44/358921244.db2.gz MQDDIDPOWSNXDI-MWLCHTKSSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)[C@@H](CNC(N)=[NH2+])Cc1ccccc1 ZINC000073757062 359104555 /nfs/dbraw/zinc/10/45/55/359104555.db2.gz AGDREYCFPJLICI-LLVKDONJSA-N 2 1 220.320 0.642 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@H](O)C[NH+](C)C ZINC000308856688 491139093 /nfs/dbraw/zinc/13/90/93/491139093.db2.gz QDSOEPDMWPNBDJ-MNOVXSKESA-N 2 1 218.341 0.050 20 0 BCADMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247076709 359192164 /nfs/dbraw/zinc/19/21/64/359192164.db2.gz HRDOBUXIRUCKIB-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP CCCNC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580440 359148556 /nfs/dbraw/zinc/14/85/56/359148556.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623441331 359333882 /nfs/dbraw/zinc/33/38/82/359333882.db2.gz NLHUYHXBVYFOCW-MNOVXSKESA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623441331 359333886 /nfs/dbraw/zinc/33/38/86/359333886.db2.gz NLHUYHXBVYFOCW-MNOVXSKESA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](C(N)=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488137 359334747 /nfs/dbraw/zinc/33/47/47/359334747.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CN(C(=O)C[NH2+]C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000572282828 359349397 /nfs/dbraw/zinc/34/93/97/359349397.db2.gz QFTAHIPAYCVQBP-LBPRGKRZSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423563241 192812681 /nfs/dbraw/zinc/81/26/81/192812681.db2.gz WZSXJZRNKWHEHF-ITGHMWBKSA-N 3 1 237.391 0.962 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000423765975 192829125 /nfs/dbraw/zinc/82/91/25/192829125.db2.gz CCMJXMIASFSURC-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]([NH2+]CCOC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000578518519 366588347 /nfs/dbraw/zinc/58/83/47/366588347.db2.gz OCOGNYCFQGKWKC-XQQFMLRXSA-N 2 1 242.363 0.912 20 0 BCADMP COC[C@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309118635 491145091 /nfs/dbraw/zinc/14/50/91/491145091.db2.gz SBLGEVYNVASZBA-ONGXEEELSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309118635 491145092 /nfs/dbraw/zinc/14/50/92/491145092.db2.gz SBLGEVYNVASZBA-ONGXEEELSA-N 2 1 216.325 0.066 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000578669033 366624858 /nfs/dbraw/zinc/62/48/58/366624858.db2.gz YMRVPPQQXDWITM-WOPDTQHZSA-N 3 1 227.352 0.224 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000088091195 359937344 /nfs/dbraw/zinc/93/73/44/359937344.db2.gz GTZIJQLXKYWIIZ-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000088129661 359937409 /nfs/dbraw/zinc/93/74/09/359937409.db2.gz JDSBOQXMMBFZGB-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091666492 360121832 /nfs/dbraw/zinc/12/18/32/360121832.db2.gz DGXLURJTCQBAGI-FRRDWIJNSA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000091666492 360121839 /nfs/dbraw/zinc/12/18/39/360121839.db2.gz DGXLURJTCQBAGI-FRRDWIJNSA-N 2 1 240.347 0.618 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875060 360135303 /nfs/dbraw/zinc/13/53/03/360135303.db2.gz BWHGQQDWAIHYRG-PWSUYJOCSA-N 2 1 240.351 0.132 20 0 BCADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000631197071 360709987 /nfs/dbraw/zinc/70/99/87/360709987.db2.gz FDZIICJRLYUAJT-WUHRBBMRSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC1(C)C ZINC000631200098 360781633 /nfs/dbraw/zinc/78/16/33/360781633.db2.gz IXJVNHWQKFLBKA-MXWKQRLJSA-N 2 1 228.336 0.209 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COC[C@@H]2O)CC1(C)C ZINC000631200098 360781636 /nfs/dbraw/zinc/78/16/36/360781636.db2.gz IXJVNHWQKFLBKA-MXWKQRLJSA-N 2 1 228.336 0.209 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417605134 200810518 /nfs/dbraw/zinc/81/05/18/200810518.db2.gz AMEAOHPTPZTIAW-UHFFFAOYSA-N 2 1 230.356 0.318 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629400439 361051948 /nfs/dbraw/zinc/05/19/48/361051948.db2.gz XWUZGTXQESRURT-OLZOCXBDSA-N 3 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629400439 361051953 /nfs/dbraw/zinc/05/19/53/361051953.db2.gz XWUZGTXQESRURT-OLZOCXBDSA-N 2 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629400439 361051955 /nfs/dbraw/zinc/05/19/55/361051955.db2.gz XWUZGTXQESRURT-OLZOCXBDSA-N 2 1 241.379 0.568 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000629408654 361059192 /nfs/dbraw/zinc/05/91/92/361059192.db2.gz YBUHJOWKOKIDAU-LSCVPOLPSA-N 2 1 223.364 0.952 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000629451625 361076713 /nfs/dbraw/zinc/07/67/13/361076713.db2.gz JVIOZZNJJIPUPB-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000629451625 361076716 /nfs/dbraw/zinc/07/67/16/361076716.db2.gz JVIOZZNJJIPUPB-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@H](O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000157373365 361078643 /nfs/dbraw/zinc/07/86/43/361078643.db2.gz KECHIJHBGQZIEX-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000629519878 361120757 /nfs/dbraw/zinc/12/07/57/361120757.db2.gz RRVPKEYWBUVIMU-RNJOBUHISA-N 2 1 241.379 0.423 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC2CCOCC2)CC[C@H]1[NH3+] ZINC000629510267 361107362 /nfs/dbraw/zinc/10/73/62/361107362.db2.gz PDHDLIHDOQNCTF-DGCLKSJQSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629519700 361120492 /nfs/dbraw/zinc/12/04/92/361120492.db2.gz HJSLVZYJLPHDKU-ZJUUUORDSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629517069 361115251 /nfs/dbraw/zinc/11/52/51/361115251.db2.gz ZVIMKHHWAIWXOX-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(C)(C)C ZINC000629517069 361115254 /nfs/dbraw/zinc/11/52/54/361115254.db2.gz ZVIMKHHWAIWXOX-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629517072 361115529 /nfs/dbraw/zinc/11/55/29/361115529.db2.gz ZVIMKHHWAIWXOX-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(C)(C)C ZINC000629517072 361115531 /nfs/dbraw/zinc/11/55/31/361115531.db2.gz ZVIMKHHWAIWXOX-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520366 361116505 /nfs/dbraw/zinc/11/65/05/361116505.db2.gz KNCORPQGKGSDOO-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520366 361116508 /nfs/dbraw/zinc/11/65/08/361116508.db2.gz KNCORPQGKGSDOO-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000629528257 361135430 /nfs/dbraw/zinc/13/54/30/361135430.db2.gz UPWFNEIVMMEBAR-HBNTYKKESA-N 2 1 239.363 0.774 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629528376 361137149 /nfs/dbraw/zinc/13/71/49/361137149.db2.gz XWJBHNWGQKFYCI-GRYCIOLGSA-N 2 1 237.351 0.787 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000629531361 361148675 /nfs/dbraw/zinc/14/86/75/361148675.db2.gz IIZSIOVCFMAWIK-NEPJUHHUSA-N 2 1 229.368 0.472 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000629531361 361148678 /nfs/dbraw/zinc/14/86/78/361148678.db2.gz IIZSIOVCFMAWIK-NEPJUHHUSA-N 2 1 229.368 0.472 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532624 361152719 /nfs/dbraw/zinc/15/27/19/361152719.db2.gz KDAJVOSNJMKJHV-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532626 361154766 /nfs/dbraw/zinc/15/47/66/361154766.db2.gz KDAJVOSNJMKJHV-XQQFMLRXSA-N 2 1 241.379 0.437 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000629525734 361127115 /nfs/dbraw/zinc/12/71/15/361127115.db2.gz AIQMHOOTUJQKIP-KXNHARMFSA-N 2 1 211.353 0.667 20 0 BCADMP OC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000629534098 361164451 /nfs/dbraw/zinc/16/44/51/361164451.db2.gz LVJSGTKLISBYAP-NWDGAFQWSA-N 2 1 240.347 0.212 20 0 BCADMP OC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000629534098 361164456 /nfs/dbraw/zinc/16/44/56/361164456.db2.gz LVJSGTKLISBYAP-NWDGAFQWSA-N 2 1 240.347 0.212 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245939 /nfs/dbraw/zinc/24/59/39/361245939.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245944 /nfs/dbraw/zinc/24/59/44/361245944.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245948 /nfs/dbraw/zinc/24/59/48/361245948.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+](C)[C@H](CNC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000574998232 361223175 /nfs/dbraw/zinc/22/31/75/361223175.db2.gz ORPMNRBIKVSJMA-SECBINFHSA-N 2 1 249.305 0.427 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107042 366712337 /nfs/dbraw/zinc/71/23/37/366712337.db2.gz AQHIGPCPSQPERB-SKDRFNHKSA-N 2 1 237.347 0.337 20 0 BCADMP C[NH+](C)[C@H](C[NH2+]CCC(N)=O)C1CCCCC1 ZINC000579111229 366713195 /nfs/dbraw/zinc/71/31/95/366713195.db2.gz YAZZGUCFWFTZSQ-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000428419825 201015269 /nfs/dbraw/zinc/01/52/69/201015269.db2.gz GEJXBEXOVDJVRG-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227117 366737945 /nfs/dbraw/zinc/73/79/45/366737945.db2.gz MTZCMGMUJCVCRZ-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H](F)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000579228313 366738548 /nfs/dbraw/zinc/73/85/48/366738548.db2.gz ICFLAYYTLVOZOI-GXSJLCMTSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@H](F)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000579228313 366738553 /nfs/dbraw/zinc/73/85/53/366738553.db2.gz ICFLAYYTLVOZOI-GXSJLCMTSA-N 2 1 218.316 0.779 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428518749 201026229 /nfs/dbraw/zinc/02/62/29/201026229.db2.gz SINLHUBJVCZDLZ-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000250940023 181328730 /nfs/dbraw/zinc/32/87/30/181328730.db2.gz ZECYPNUATXVLCZ-WDEREUQCSA-N 2 1 237.347 0.611 20 0 BCADMP COC[C@@H](C)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238783 366741656 /nfs/dbraw/zinc/74/16/56/366741656.db2.gz WWVDPJYENQNJQE-WDEREUQCSA-N 2 1 218.316 0.902 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954365 201051425 /nfs/dbraw/zinc/05/14/25/201051425.db2.gz IIEKNKOSGXTBCU-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CCCN(CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000429120030 201068642 /nfs/dbraw/zinc/06/86/42/201068642.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189010 201078997 /nfs/dbraw/zinc/07/89/97/201078997.db2.gz ATRJMORIIAZFKA-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000429233204 201080235 /nfs/dbraw/zinc/08/02/35/201080235.db2.gz CUBIDZXGXQSUNR-JTQLQIEISA-N 2 1 215.341 0.300 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]C)CC1 ZINC000429400925 201105563 /nfs/dbraw/zinc/10/55/63/201105563.db2.gz ASCNDXCVJTZPLD-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629538829 361403513 /nfs/dbraw/zinc/40/35/13/361403513.db2.gz LHRASNYROWZWAK-WOPDTQHZSA-N 2 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538829 361403517 /nfs/dbraw/zinc/40/35/17/361403517.db2.gz LHRASNYROWZWAK-WOPDTQHZSA-N 3 1 229.368 0.470 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429554772 201114965 /nfs/dbraw/zinc/11/49/65/201114965.db2.gz CGMVEMKBCXYAJZ-JFGNBEQYSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808871 201132749 /nfs/dbraw/zinc/13/27/49/201132749.db2.gz NHHTVXKWICQNAL-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808871 201132752 /nfs/dbraw/zinc/13/27/52/201132752.db2.gz NHHTVXKWICQNAL-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808871 201132756 /nfs/dbraw/zinc/13/27/56/201132756.db2.gz NHHTVXKWICQNAL-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808868 201132802 /nfs/dbraw/zinc/13/28/02/201132802.db2.gz NHHTVXKWICQNAL-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808868 201132806 /nfs/dbraw/zinc/13/28/06/201132806.db2.gz NHHTVXKWICQNAL-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808868 201132807 /nfs/dbraw/zinc/13/28/07/201132807.db2.gz NHHTVXKWICQNAL-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2(C)C)C[NH2+]1 ZINC000629534981 361408996 /nfs/dbraw/zinc/40/89/96/361408996.db2.gz BJIDHDBZRKWUIE-MXWKQRLJSA-N 2 1 239.363 0.774 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556878 201113720 /nfs/dbraw/zinc/11/37/20/201113720.db2.gz ZEWMPQSUWCNWRK-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000579475458 366824333 /nfs/dbraw/zinc/82/43/33/366824333.db2.gz VTYPWSVMABGRHO-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000629548258 361433130 /nfs/dbraw/zinc/43/31/30/361433130.db2.gz DQVCAQJQDKLCRB-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000629548258 361433133 /nfs/dbraw/zinc/43/31/33/361433133.db2.gz DQVCAQJQDKLCRB-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629549280 361434553 /nfs/dbraw/zinc/43/45/53/361434553.db2.gz GVSGZDGDCZISDY-WOPDTQHZSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629549280 361434555 /nfs/dbraw/zinc/43/45/55/361434555.db2.gz GVSGZDGDCZISDY-WOPDTQHZSA-N 2 1 211.353 0.940 20 0 BCADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000629553180 361437753 /nfs/dbraw/zinc/43/77/53/361437753.db2.gz MBGGKNZFLIYUMS-NEPJUHHUSA-N 2 1 228.336 0.380 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOC1CCOCC1 ZINC000629549995 361442421 /nfs/dbraw/zinc/44/24/21/361442421.db2.gz UYKASSIZICPIDO-VXGBXAGGSA-N 2 1 242.363 0.994 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556126 361448508 /nfs/dbraw/zinc/44/85/08/361448508.db2.gz KMLIQQBINDZTAG-AGIUHOORSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542117 361418185 /nfs/dbraw/zinc/41/81/85/361418185.db2.gz YPCNFOHLKGZUPQ-USZNOCQGSA-N 2 1 211.353 0.667 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556126 361448513 /nfs/dbraw/zinc/44/85/13/361448513.db2.gz KMLIQQBINDZTAG-AGIUHOORSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CC[N@H+]1C ZINC000629542478 361419779 /nfs/dbraw/zinc/41/97/79/361419779.db2.gz YVXWCXNAJSNMAT-VXGBXAGGSA-N 3 1 229.368 0.424 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCN1C ZINC000629542478 361419780 /nfs/dbraw/zinc/41/97/80/361419780.db2.gz YVXWCXNAJSNMAT-VXGBXAGGSA-N 2 1 229.368 0.424 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000629568078 361460352 /nfs/dbraw/zinc/46/03/52/361460352.db2.gz IODMMFGTDZUXNK-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000629570812 361460475 /nfs/dbraw/zinc/46/04/75/361460475.db2.gz MUZOCULVQHTISZ-UHFFFAOYSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)COC ZINC000629571943 361463829 /nfs/dbraw/zinc/46/38/29/361463829.db2.gz UOANQBZNSWVNEX-JTQLQIEISA-N 2 1 204.314 0.189 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1conc1C ZINC000629572120 361463948 /nfs/dbraw/zinc/46/39/48/361463948.db2.gz NKHVXQCEOHNHJV-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1conc1C ZINC000629572120 361463949 /nfs/dbraw/zinc/46/39/49/361463949.db2.gz NKHVXQCEOHNHJV-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)CCOC ZINC000629572141 361463972 /nfs/dbraw/zinc/46/39/72/361463972.db2.gz WXVPATDHXPNLSA-NSHDSACASA-N 2 1 218.341 0.579 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947993 201159904 /nfs/dbraw/zinc/15/99/04/201159904.db2.gz GRHZXVMTSZZXDB-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947993 201159906 /nfs/dbraw/zinc/15/99/06/201159906.db2.gz GRHZXVMTSZZXDB-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430940951 201159938 /nfs/dbraw/zinc/15/99/38/201159938.db2.gz SLKUAVDOPYDLLX-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430940951 201159941 /nfs/dbraw/zinc/15/99/41/201159941.db2.gz SLKUAVDOPYDLLX-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581634 361473051 /nfs/dbraw/zinc/47/30/51/361473051.db2.gz FCZMPKDCYZNVPR-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592393 361485544 /nfs/dbraw/zinc/48/55/44/361485544.db2.gz BPGMMRQRQDPYKX-TXEJJXNPSA-N 2 1 212.337 0.689 20 0 BCADMP CC[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+](C)C ZINC000629612785 361499051 /nfs/dbraw/zinc/49/90/51/361499051.db2.gz HOSPDXQRSVPEDG-PWSUYJOCSA-N 2 1 245.342 0.487 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000629617345 361511738 /nfs/dbraw/zinc/51/17/38/361511738.db2.gz VSZRCRZNBWJPPP-WCFLWFBJSA-N 2 1 242.363 0.456 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629617345 361511743 /nfs/dbraw/zinc/51/17/43/361511743.db2.gz VSZRCRZNBWJPPP-WCFLWFBJSA-N 2 1 242.363 0.456 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000629654973 361558765 /nfs/dbraw/zinc/55/87/65/361558765.db2.gz VAJOOIQWPSUZRE-NSHDSACASA-N 2 1 232.393 0.907 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC2=CCCOC2)CCCO1 ZINC000629647881 361539388 /nfs/dbraw/zinc/53/93/88/361539388.db2.gz CTAUMSFWUSXSSO-GFCCVEGCSA-N 2 1 226.320 0.383 20 0 BCADMP C1=C(C[NH2+]CC23CC(C2)C[NH2+]3)COCC1 ZINC000629649832 361545800 /nfs/dbraw/zinc/54/58/00/361545800.db2.gz HUYYOSDOVBSOEZ-UHFFFAOYSA-N 2 1 208.305 0.675 20 0 BCADMP CCCn1cc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000629661589 361594844 /nfs/dbraw/zinc/59/48/44/361594844.db2.gz CZAHAYQGMJEOPW-UHFFFAOYSA-N 2 1 240.351 0.700 20 0 BCADMP CCOCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000434633627 201230315 /nfs/dbraw/zinc/23/03/15/201230315.db2.gz JWQWENADBWQTBO-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000434674820 201231089 /nfs/dbraw/zinc/23/10/89/201231089.db2.gz WRZDLQJGQCMWCC-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629672478 361614036 /nfs/dbraw/zinc/61/40/36/361614036.db2.gz SMTJOGIULUBDLA-VHSXEESVSA-N 2 1 200.326 0.999 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000435878743 201292046 /nfs/dbraw/zinc/29/20/46/201292046.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[NH2+]CCCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000435878743 201292048 /nfs/dbraw/zinc/29/20/48/201292048.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@H]1[NH2+]CCN(CCC[NH+]2CCOCC2)[C@@H]1C ZINC000436067708 201307862 /nfs/dbraw/zinc/30/78/62/201307862.db2.gz URUGZSTUVVICNG-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP CC[C@@H]1CN(CCC[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000435872905 201292639 /nfs/dbraw/zinc/29/26/39/201292639.db2.gz SIWSFGHGPQPUMQ-CHWSQXEVSA-N 2 1 243.395 0.373 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000332036623 181357246 /nfs/dbraw/zinc/35/72/46/181357246.db2.gz SUWZQBHLVDHWAC-BDAKNGLRSA-N 2 1 221.295 0.830 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000373513711 181357628 /nfs/dbraw/zinc/35/76/28/181357628.db2.gz QQUYWRRAGQCVPA-MRVPVSSYSA-N 2 1 235.278 0.229 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605050 364322958 /nfs/dbraw/zinc/32/29/58/364322958.db2.gz VWZKYUAFYNHCTI-LLVKDONJSA-N 2 1 235.335 0.626 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604002 364327414 /nfs/dbraw/zinc/32/74/14/364327414.db2.gz NSHPMGLZVRBEFC-LLVKDONJSA-N 2 1 246.318 0.583 20 0 BCADMP CC[NH+](CC)Cc1cn(CCC[NH3+])nn1 ZINC000630584729 364290471 /nfs/dbraw/zinc/29/04/71/364290471.db2.gz AGWVWJLUROMIQP-UHFFFAOYSA-N 2 1 211.313 0.469 20 0 BCADMP COC[C@@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000630586043 364293184 /nfs/dbraw/zinc/29/31/84/364293184.db2.gz JUYYSRCTVMPSFZ-VIFPVBQESA-N 2 1 233.275 0.179 20 0 BCADMP [NH3+]C1CC[NH+](CCc2cn(CC3CC3)nn2)CC1 ZINC000630596065 364310692 /nfs/dbraw/zinc/31/06/92/364310692.db2.gz XBJLQOAXLYHHAF-UHFFFAOYSA-N 2 1 249.362 0.654 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1CC1C[NH2+]C1 ZINC000630615281 364349289 /nfs/dbraw/zinc/34/92/89/364349289.db2.gz YAJAYKPWRWXWIY-UHFFFAOYSA-N 2 1 221.308 0.093 20 0 BCADMP CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398981115 364453304 /nfs/dbraw/zinc/45/33/04/364453304.db2.gz FBESHFFWMXHHKH-GXFFZTMASA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+]CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773969 181366997 /nfs/dbraw/zinc/36/69/97/181366997.db2.gz QBSVPYRWUXJCSE-SDDRHHMPSA-N 2 1 237.347 0.278 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250844497 181369319 /nfs/dbraw/zinc/36/93/19/181369319.db2.gz MUROODXZZZXBHU-NXEZZACHSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000615303202 364681025 /nfs/dbraw/zinc/68/10/25/364681025.db2.gz QVURRSMFHFYMSP-GRYCIOLGSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000615303209 364681141 /nfs/dbraw/zinc/68/11/41/364681141.db2.gz QVURRSMFHFYMSP-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000567980580 364757733 /nfs/dbraw/zinc/75/77/33/364757733.db2.gz FJGRWLQRULBKIT-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000166382680 364787198 /nfs/dbraw/zinc/78/71/98/364787198.db2.gz OGDTZUNTFXOYIE-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000166382680 364787202 /nfs/dbraw/zinc/78/72/02/364787202.db2.gz OGDTZUNTFXOYIE-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167430427 364793046 /nfs/dbraw/zinc/79/30/46/364793046.db2.gz PMGCEXGLUYZSSI-VXGBXAGGSA-N 2 1 214.353 0.933 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573494502 364846849 /nfs/dbraw/zinc/84/68/49/364846849.db2.gz ONHCINOXUSGXGS-UTUOFQBUSA-N 2 1 239.363 0.570 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000573584111 364869162 /nfs/dbraw/zinc/86/91/62/364869162.db2.gz VPEXGZUWAGNDDU-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000573682122 364891275 /nfs/dbraw/zinc/89/12/75/364891275.db2.gz PMEVAPPGYJINQG-SNVBAGLBSA-N 2 1 215.341 0.570 20 0 BCADMP [NH3+]CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000367966055 181376277 /nfs/dbraw/zinc/37/62/77/181376277.db2.gz XDZHFOMYGNAERF-NEPJUHHUSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[N@H+]1C ZINC000573962616 364954653 /nfs/dbraw/zinc/95/46/53/364954653.db2.gz LYHRFDBTUFYFGP-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[N@H+]1C ZINC000573962614 364954899 /nfs/dbraw/zinc/95/48/99/364954899.db2.gz LYHRFDBTUFYFGP-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP CC[NH2+]CC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000574091458 364981376 /nfs/dbraw/zinc/98/13/76/364981376.db2.gz GKHMUXIKKXXGFD-ZDUSSCGKSA-N 2 1 243.395 0.278 20 0 BCADMP CC(C)N1CCN(C(=O)Cn2ccnc2)CC1 ZINC000574450758 365064010 /nfs/dbraw/zinc/06/40/10/365064010.db2.gz QOQRWTGQJWLDKS-UHFFFAOYSA-N 2 1 236.319 0.436 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CCC[NH3+])C1CC1 ZINC000574261967 365021773 /nfs/dbraw/zinc/02/17/73/365021773.db2.gz QXNZZPREMABASD-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000574281927 365027982 /nfs/dbraw/zinc/02/79/82/365027982.db2.gz YZYWPXZIPVMLGK-WYUUTHIRSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCC[C@@H]2C[NH3+])CCO1 ZINC000574324592 365037706 /nfs/dbraw/zinc/03/77/06/365037706.db2.gz SSCPLBBVFSZNNQ-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCC[C@@H]2C[NH3+])CCO1 ZINC000574324592 365037707 /nfs/dbraw/zinc/03/77/07/365037707.db2.gz SSCPLBBVFSZNNQ-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000574878676 365167216 /nfs/dbraw/zinc/16/72/16/365167216.db2.gz WDEKUURULKCRIE-STQMWFEESA-N 2 1 244.379 0.584 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814154 365150183 /nfs/dbraw/zinc/15/01/83/365150183.db2.gz CBJPBOVODMKQRT-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814154 365150187 /nfs/dbraw/zinc/15/01/87/365150187.db2.gz CBJPBOVODMKQRT-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000575069193 365187815 /nfs/dbraw/zinc/18/78/15/365187815.db2.gz QGQVUPQPJMZRGT-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@@H]1O ZINC000575069193 365187820 /nfs/dbraw/zinc/18/78/20/365187820.db2.gz QGQVUPQPJMZRGT-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@@H]1O ZINC000575069193 365187825 /nfs/dbraw/zinc/18/78/25/365187825.db2.gz QGQVUPQPJMZRGT-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000575069193 365187827 /nfs/dbraw/zinc/18/78/27/365187827.db2.gz QGQVUPQPJMZRGT-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H]1CCC[N@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000171378070 365194015 /nfs/dbraw/zinc/19/40/15/365194015.db2.gz SUAIQNJKABFRSS-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000171378070 365194020 /nfs/dbraw/zinc/19/40/20/365194020.db2.gz SUAIQNJKABFRSS-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444165815 193039114 /nfs/dbraw/zinc/03/91/14/193039114.db2.gz IKELIHAHEFUSMB-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000444168555 193039436 /nfs/dbraw/zinc/03/94/36/193039436.db2.gz PCSQAVOPNWGIFV-SGMGOOAPSA-N 2 1 249.358 0.293 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444175819 193040018 /nfs/dbraw/zinc/04/00/18/193040018.db2.gz MFUBIUSLUBFCLG-MPKXVKKWSA-N 2 1 249.358 0.339 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444179252 193040265 /nfs/dbraw/zinc/04/02/65/193040265.db2.gz ZEOWLMMAZLFGTD-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187334 193040801 /nfs/dbraw/zinc/04/08/01/193040801.db2.gz SWRJSLLKFSMMLL-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187331 193041160 /nfs/dbraw/zinc/04/11/60/193041160.db2.gz SWRJSLLKFSMMLL-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000444191667 193041463 /nfs/dbraw/zinc/04/14/63/193041463.db2.gz XVFYDXGVKXAUFX-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444191696 193041585 /nfs/dbraw/zinc/04/15/85/193041585.db2.gz YFVAENFRQCPMNA-NWDGAFQWSA-N 2 1 239.363 0.442 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444259518 193042898 /nfs/dbraw/zinc/04/28/98/193042898.db2.gz NFWKCXOESNYHKR-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000575803641 365368098 /nfs/dbraw/zinc/36/80/98/365368098.db2.gz VOFPLABNOALCCI-XQQFMLRXSA-N 2 1 241.379 0.389 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCCC(=O)NC)CC1 ZINC000575980794 365434376 /nfs/dbraw/zinc/43/43/76/365434376.db2.gz JDNMASWNRNVQKP-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCCC(=O)NC)CC1 ZINC000575980794 365434381 /nfs/dbraw/zinc/43/43/81/365434381.db2.gz JDNMASWNRNVQKP-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP COCCNCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579733114 366998275 /nfs/dbraw/zinc/99/82/75/366998275.db2.gz FHELTUBREYSTPC-GHMZBOCLSA-N 2 1 215.341 0.082 20 0 BCADMP COCCNCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000579733116 366998713 /nfs/dbraw/zinc/99/87/13/366998713.db2.gz FHELTUBREYSTPC-QWRGUYRKSA-N 2 1 215.341 0.082 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579853768 367052714 /nfs/dbraw/zinc/05/27/14/367052714.db2.gz AKSXQTHWIKMLKA-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000579968591 367108068 /nfs/dbraw/zinc/10/80/68/367108068.db2.gz HQXPDXRPBBUTML-UHFFFAOYSA-N 2 1 238.335 0.548 20 0 BCADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000579968591 367108070 /nfs/dbraw/zinc/10/80/70/367108070.db2.gz HQXPDXRPBBUTML-UHFFFAOYSA-N 2 1 238.335 0.548 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580956780 367216409 /nfs/dbraw/zinc/21/64/09/367216409.db2.gz FYFKJKVFKMCOMZ-LOWVWBTDSA-N 2 1 237.347 0.196 20 0 BCADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000581006351 367231184 /nfs/dbraw/zinc/23/11/84/367231184.db2.gz LMVVUWYVFGJFRT-GFCCVEGCSA-N 2 1 249.314 0.097 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238838 /nfs/dbraw/zinc/23/88/38/367238838.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238842 /nfs/dbraw/zinc/23/88/42/367238842.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238847 /nfs/dbraw/zinc/23/88/47/367238847.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238851 /nfs/dbraw/zinc/23/88/51/367238851.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080553 367257277 /nfs/dbraw/zinc/25/72/77/367257277.db2.gz VPUUAHAKAMQAQX-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080553 367257283 /nfs/dbraw/zinc/25/72/83/367257283.db2.gz VPUUAHAKAMQAQX-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080553 367257291 /nfs/dbraw/zinc/25/72/91/367257291.db2.gz VPUUAHAKAMQAQX-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080553 367257294 /nfs/dbraw/zinc/25/72/94/367257294.db2.gz VPUUAHAKAMQAQX-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309960 367337750 /nfs/dbraw/zinc/33/77/50/367337750.db2.gz AIDILBIFBIOVTJ-AGIUHOORSA-N 3 1 225.380 0.916 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381362837 367387783 /nfs/dbraw/zinc/38/77/83/367387783.db2.gz FKLMBQMSAHWEDL-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381362837 367387788 /nfs/dbraw/zinc/38/77/88/367387788.db2.gz FKLMBQMSAHWEDL-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000581437604 367471171 /nfs/dbraw/zinc/47/11/71/367471171.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000581437604 367471175 /nfs/dbraw/zinc/47/11/75/367471175.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000581437604 367471178 /nfs/dbraw/zinc/47/11/78/367471178.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 2 1 243.395 0.323 20 0 BCADMP [NH3+]CC[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000581436541 367471467 /nfs/dbraw/zinc/47/14/67/367471467.db2.gz QYXXNFRNNYLMHO-VIFPVBQESA-N 2 1 249.305 0.558 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186823 367496571 /nfs/dbraw/zinc/49/65/71/367496571.db2.gz HCOOTCNJKGDFRC-QNWHQSFQSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186823 367496575 /nfs/dbraw/zinc/49/65/75/367496575.db2.gz HCOOTCNJKGDFRC-QNWHQSFQSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000382925346 367568385 /nfs/dbraw/zinc/56/83/85/367568385.db2.gz DFWFGVXOGRFYDN-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382965263 367574748 /nfs/dbraw/zinc/57/47/48/367574748.db2.gz PUVXNAKOQUIRLR-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000383487961 367627642 /nfs/dbraw/zinc/62/76/42/367627642.db2.gz AHLJBIZXAAUJLM-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCCO1)C1CC1 ZINC000383487961 367627645 /nfs/dbraw/zinc/62/76/45/367627645.db2.gz AHLJBIZXAAUJLM-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000383486953 367627816 /nfs/dbraw/zinc/62/78/16/367627816.db2.gz BSSCMGKQAMDIKM-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000383486953 367627822 /nfs/dbraw/zinc/62/78/22/367627822.db2.gz BSSCMGKQAMDIKM-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000383496670 367628988 /nfs/dbraw/zinc/62/89/88/367628988.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000383496670 367628990 /nfs/dbraw/zinc/62/89/90/367628990.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP COC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000383733882 367650192 /nfs/dbraw/zinc/65/01/92/367650192.db2.gz HKNXNRVWHRQVDT-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP COC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000383733882 367650197 /nfs/dbraw/zinc/65/01/97/367650197.db2.gz HKNXNRVWHRQVDT-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]1 ZINC000384840648 367741171 /nfs/dbraw/zinc/74/11/71/367741171.db2.gz SZSQZGSEQNWFMN-GMTAPVOTSA-N 2 1 223.320 0.091 20 0 BCADMP C[NH2+]CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000566203671 326012622 /nfs/dbraw/zinc/01/26/22/326012622.db2.gz ZQDUPURMQSCFMA-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386144203 367919880 /nfs/dbraw/zinc/91/98/80/367919880.db2.gz QWMDVSCRIZEQGF-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)O ZINC000581892182 367882706 /nfs/dbraw/zinc/88/27/06/367882706.db2.gz DNEDZGLMHBOKQL-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)O ZINC000581892182 367882709 /nfs/dbraw/zinc/88/27/09/367882709.db2.gz DNEDZGLMHBOKQL-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000581892182 367882714 /nfs/dbraw/zinc/88/27/14/367882714.db2.gz DNEDZGLMHBOKQL-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000581892182 367882720 /nfs/dbraw/zinc/88/27/20/367882720.db2.gz DNEDZGLMHBOKQL-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386022010 367898313 /nfs/dbraw/zinc/89/83/13/367898313.db2.gz OVSFSHHCVITDHH-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386556136 367990882 /nfs/dbraw/zinc/99/08/82/367990882.db2.gz HYZRRFUERMGSIK-BBBLOLIVSA-N 2 1 213.325 0.371 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386556141 367990958 /nfs/dbraw/zinc/99/09/58/367990958.db2.gz HYZRRFUERMGSIK-UTLUCORTSA-N 2 1 213.325 0.371 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000386377104 367958890 /nfs/dbraw/zinc/95/88/90/367958890.db2.gz QYZQPKFJWFDZSC-CHWSQXEVSA-N 2 1 244.379 0.440 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615619365 368123585 /nfs/dbraw/zinc/12/35/85/368123585.db2.gz NXWYOCMBPHIKNX-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000615510879 368084610 /nfs/dbraw/zinc/08/46/10/368084610.db2.gz YWSCFMWBRYOLNU-NSHDSACASA-N 2 1 225.336 0.101 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCn1cccc1)C1CC1 ZINC000581998148 368102006 /nfs/dbraw/zinc/10/20/06/368102006.db2.gz XLVALHWPGBQKAW-CYBMUJFWSA-N 2 1 237.347 0.533 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCn1cccc1)C1CC1 ZINC000581998148 368102011 /nfs/dbraw/zinc/10/20/11/368102011.db2.gz XLVALHWPGBQKAW-CYBMUJFWSA-N 2 1 237.347 0.533 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)C)C1 ZINC000566444537 326047968 /nfs/dbraw/zinc/04/79/68/326047968.db2.gz HFTVMAKJXOECNK-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000070945266 368768038 /nfs/dbraw/zinc/76/80/38/368768038.db2.gz RAWHWWBPGCQNRL-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000083887483 368835363 /nfs/dbraw/zinc/83/53/63/368835363.db2.gz ZOYRYBRKBSTDNK-GFCCVEGCSA-N 2 1 237.347 0.364 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111163421 368850784 /nfs/dbraw/zinc/85/07/84/368850784.db2.gz SOOHBFZUVJQWPB-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631822335 368975716 /nfs/dbraw/zinc/97/57/16/368975716.db2.gz ZNWDNMJVARYKHA-VWYCJHECSA-N 2 1 235.335 0.435 20 0 BCADMP CCn1ncnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000088584796 368918298 /nfs/dbraw/zinc/91/82/98/368918298.db2.gz JGKHTICGTLEELA-JTQLQIEISA-N 2 1 237.351 0.857 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825300 368988561 /nfs/dbraw/zinc/98/85/61/368988561.db2.gz DZPRXPICUOHDDU-RYUDHWBXSA-N 2 1 249.362 0.826 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000631837275 369095126 /nfs/dbraw/zinc/09/51/26/369095126.db2.gz QMNHXCISEQRIOF-JHJVBQTASA-N 2 1 241.379 0.234 20 0 BCADMP C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839836 369183832 /nfs/dbraw/zinc/18/38/32/369183832.db2.gz LMMWPGMQCPSNNM-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP C[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839836 369183833 /nfs/dbraw/zinc/18/38/33/369183833.db2.gz LMMWPGMQCPSNNM-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000567480971 326201315 /nfs/dbraw/zinc/20/13/15/326201315.db2.gz OYKVSCNZORZJMN-MRVPVSSYSA-N 2 1 235.278 0.086 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459637195 203325749 /nfs/dbraw/zinc/32/57/49/203325749.db2.gz RVQXKAQWPCNBCJ-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](O)(CO)C1 ZINC000459637195 203325753 /nfs/dbraw/zinc/32/57/53/203325753.db2.gz RVQXKAQWPCNBCJ-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP C[C@@H]1C[C@H](N)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860637 369469372 /nfs/dbraw/zinc/46/93/72/369469372.db2.gz METXSZUEZBNWDP-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860637 369469374 /nfs/dbraw/zinc/46/93/74/369469374.db2.gz METXSZUEZBNWDP-UTUOFQBUSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860637 369469377 /nfs/dbraw/zinc/46/93/77/369469377.db2.gz METXSZUEZBNWDP-UTUOFQBUSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC000631860637 369469378 /nfs/dbraw/zinc/46/93/78/369469378.db2.gz METXSZUEZBNWDP-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CCC[NH+]1CCOCC1 ZINC000631860899 369469487 /nfs/dbraw/zinc/46/94/87/369469487.db2.gz RGPDRWNOHPSEHN-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000259913055 370955128 /nfs/dbraw/zinc/95/51/28/370955128.db2.gz GODONDJBEMPMLO-QWRGUYRKSA-N 2 1 226.320 0.623 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000166145802 203388517 /nfs/dbraw/zinc/38/85/17/203388517.db2.gz YKQNCPOUCVIHFJ-GRYCIOLGSA-N 2 1 229.368 0.293 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CC2(CO)COC2)CC1 ZINC000305003762 369584836 /nfs/dbraw/zinc/58/48/36/369584836.db2.gz IDNQCZUDTFXOKI-UHFFFAOYSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CC2(CO)COC2)CC1 ZINC000305003762 369584840 /nfs/dbraw/zinc/58/48/40/369584840.db2.gz IDNQCZUDTFXOKI-UHFFFAOYSA-N 2 1 242.363 0.411 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC000619895612 369628033 /nfs/dbraw/zinc/62/80/33/369628033.db2.gz VSPGOVPGGANZON-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000619900445 369631728 /nfs/dbraw/zinc/63/17/28/369631728.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000619900445 369631733 /nfs/dbraw/zinc/63/17/33/369631733.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000619900445 369631737 /nfs/dbraw/zinc/63/17/37/369631737.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696476 370117415 /nfs/dbraw/zinc/11/74/15/370117415.db2.gz AMEHLEPIADMURA-MXWKQRLJSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@@H]1OCC[C@H]1NC[C@@H](O)C[N@H+](C)CC ZINC000568181481 326321432 /nfs/dbraw/zinc/32/14/32/326321432.db2.gz UEVMWXHYEMBLLO-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1NC[C@@H](O)C[N@@H+](C)CC ZINC000568181481 326321433 /nfs/dbraw/zinc/32/14/33/326321433.db2.gz UEVMWXHYEMBLLO-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000568181481 326321434 /nfs/dbraw/zinc/32/14/34/326321434.db2.gz UEVMWXHYEMBLLO-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000568181481 326321435 /nfs/dbraw/zinc/32/14/35/326321435.db2.gz UEVMWXHYEMBLLO-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000568247393 326333888 /nfs/dbraw/zinc/33/38/88/326333888.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310364553 370340231 /nfs/dbraw/zinc/34/02/31/370340231.db2.gz LNUKMLTWUXMPBR-DTWKUNHWSA-N 2 1 249.305 0.427 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784521 370536587 /nfs/dbraw/zinc/53/65/87/370536587.db2.gz QCKVXAZXQOHHMJ-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784521 370536590 /nfs/dbraw/zinc/53/65/90/370536590.db2.gz QCKVXAZXQOHHMJ-WCQYABFASA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000621782505 370532491 /nfs/dbraw/zinc/53/24/91/370532491.db2.gz PVTNDFCIIWNMTK-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)OC ZINC000621783354 370533944 /nfs/dbraw/zinc/53/39/44/370533944.db2.gz AEHSDZGJMIVPGW-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)OC ZINC000621783354 370533950 /nfs/dbraw/zinc/53/39/50/370533950.db2.gz AEHSDZGJMIVPGW-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511760 326361450 /nfs/dbraw/zinc/36/14/50/326361450.db2.gz UYSIRLRKZSUCBT-GFCCVEGCSA-N 3 1 227.352 0.036 20 0 BCADMP NC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511760 326361452 /nfs/dbraw/zinc/36/14/52/326361452.db2.gz UYSIRLRKZSUCBT-GFCCVEGCSA-N 2 1 227.352 0.036 20 0 BCADMP NC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511760 326361453 /nfs/dbraw/zinc/36/14/53/326361453.db2.gz UYSIRLRKZSUCBT-GFCCVEGCSA-N 2 1 227.352 0.036 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C(C)C ZINC000568878258 326380596 /nfs/dbraw/zinc/38/05/96/326380596.db2.gz JKXKIMJHOBTUJI-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C[NH2+]C1CC1 ZINC000569217561 326395339 /nfs/dbraw/zinc/39/53/39/326395339.db2.gz IFFBKIUFTIQQTL-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1ccc2ncc(CN[C@@H]3COC[C@@H]3O)n2c1 ZINC000631201203 372232244 /nfs/dbraw/zinc/23/22/44/372232244.db2.gz ODFBASZKGSCYIV-NEPJUHHUSA-N 2 1 247.298 0.492 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631271309 372271009 /nfs/dbraw/zinc/27/10/09/372271009.db2.gz AEJMQCVBLPTIQD-FDYHWXHSSA-N 2 1 240.347 0.353 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631271309 372271015 /nfs/dbraw/zinc/27/10/15/372271015.db2.gz AEJMQCVBLPTIQD-FDYHWXHSSA-N 2 1 240.347 0.353 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)CCO1 ZINC000631823215 372600779 /nfs/dbraw/zinc/60/07/79/372600779.db2.gz ZAHDGMRYIWLAAQ-BJDJZHNGSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)CCO1 ZINC000631823215 372600786 /nfs/dbraw/zinc/60/07/86/372600786.db2.gz ZAHDGMRYIWLAAQ-BJDJZHNGSA-N 2 1 228.336 0.459 20 0 BCADMP C[NH+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000171377876 372563410 /nfs/dbraw/zinc/56/34/10/372563410.db2.gz ADXCVLJXBIIVQT-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CC1CC[NH+](CCNC(=O)C[NH+](C)C)CC1 ZINC000171377413 372563465 /nfs/dbraw/zinc/56/34/65/372563465.db2.gz SKQJSSZBJOTDNF-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631823509 372602636 /nfs/dbraw/zinc/60/26/36/372602636.db2.gz GIOJSSSNXMXXOV-GARJFASQSA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)C1CC[NH2+]CC1 ZINC000631820874 372592887 /nfs/dbraw/zinc/59/28/87/372592887.db2.gz IWPQOQXIYXUWIH-LLVKDONJSA-N 2 1 235.335 0.449 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631828819 372609549 /nfs/dbraw/zinc/60/95/49/372609549.db2.gz ZBQAKURCDQBBTH-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631829315 372611867 /nfs/dbraw/zinc/61/18/67/372611867.db2.gz NFSVYCUHWOWEIH-MXWKQRLJSA-N 2 1 235.335 0.577 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836844 372624434 /nfs/dbraw/zinc/62/44/34/372624434.db2.gz HWRDZIRAFKDDQG-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836844 372624442 /nfs/dbraw/zinc/62/44/42/372624442.db2.gz HWRDZIRAFKDDQG-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1C[NH3+] ZINC000631836663 372625224 /nfs/dbraw/zinc/62/52/24/372625224.db2.gz DWFRZHQNSPCSQN-GHMZBOCLSA-N 2 1 241.379 0.675 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1C[NH3+] ZINC000631836663 372625230 /nfs/dbraw/zinc/62/52/30/372625230.db2.gz DWFRZHQNSPCSQN-GHMZBOCLSA-N 2 1 241.379 0.675 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000631837594 372628951 /nfs/dbraw/zinc/62/89/51/372628951.db2.gz VBIMQTNESNLBKJ-GXSJLCMTSA-N 2 1 220.320 0.690 20 0 BCADMP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837685 372629090 /nfs/dbraw/zinc/62/90/90/372629090.db2.gz VRUCXGFRLGALLN-JHJVBQTASA-N 2 1 241.379 0.234 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000631837598 372630002 /nfs/dbraw/zinc/63/00/02/372630002.db2.gz VBIMQTNESNLBKJ-MWLCHTKSSA-N 2 1 220.320 0.690 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840310 372635426 /nfs/dbraw/zinc/63/54/26/372635426.db2.gz BOOOOYWJCWCYNK-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000631843904 372640484 /nfs/dbraw/zinc/64/04/84/372640484.db2.gz UATAWGLOTURIFR-NXEZZACHSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000631843904 372640488 /nfs/dbraw/zinc/64/04/88/372640488.db2.gz UATAWGLOTURIFR-NXEZZACHSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859527 372648813 /nfs/dbraw/zinc/64/88/13/372648813.db2.gz BMTVRKKUNFICRQ-ZYHUDNBSSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859527 372648823 /nfs/dbraw/zinc/64/88/23/372648823.db2.gz BMTVRKKUNFICRQ-ZYHUDNBSSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859527 372648830 /nfs/dbraw/zinc/64/88/30/372648830.db2.gz BMTVRKKUNFICRQ-ZYHUDNBSSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC000631859527 372648837 /nfs/dbraw/zinc/64/88/37/372648837.db2.gz BMTVRKKUNFICRQ-ZYHUDNBSSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631826763 372605462 /nfs/dbraw/zinc/60/54/62/372605462.db2.gz WLMTWVDUCFWYTH-NWDGAFQWSA-N 2 1 249.362 0.969 20 0 BCADMP CC(C)OCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866011 372666811 /nfs/dbraw/zinc/66/68/11/372666811.db2.gz KOFMDYJPFWHNNC-UHFFFAOYSA-N 2 1 230.352 0.458 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](CCOCC[NH3+])CC1 ZINC000631865476 372666874 /nfs/dbraw/zinc/66/68/74/372666874.db2.gz KRQJNZGTQRWACE-UHFFFAOYSA-N 3 1 243.395 0.768 20 0 BCADMP CC(C)[C@H]1CN(CCOCC[NH3+])CC[N@H+]1C ZINC000631879586 372678391 /nfs/dbraw/zinc/67/83/91/372678391.db2.gz BHGAAAUHAVCEJF-GFCCVEGCSA-N 2 1 229.368 0.234 20 0 BCADMP CC(C)[C@H]1C[N@H+](CCOCC[NH3+])CCN1C ZINC000631879586 372678397 /nfs/dbraw/zinc/67/83/97/372678397.db2.gz BHGAAAUHAVCEJF-GFCCVEGCSA-N 2 1 229.368 0.234 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CCOCC[NH3+])CCN1C ZINC000631879586 372678402 /nfs/dbraw/zinc/67/84/02/372678402.db2.gz BHGAAAUHAVCEJF-GFCCVEGCSA-N 2 1 229.368 0.234 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000227640521 182029450 /nfs/dbraw/zinc/02/94/50/182029450.db2.gz ZBYAEIIPXFZMDY-MNOVXSKESA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673626 373584826 /nfs/dbraw/zinc/58/48/26/373584826.db2.gz SLDDHWCVFFIMCI-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1CSC[NH2+]1 ZINC000037467336 182167085 /nfs/dbraw/zinc/16/70/85/182167085.db2.gz SYLZYCCMFDIFSN-JTQLQIEISA-N 2 1 243.376 0.251 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[N@H+]1C ZINC000634300586 374127183 /nfs/dbraw/zinc/12/71/83/374127183.db2.gz DPRRGHVHPICGGY-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300665 374127482 /nfs/dbraw/zinc/12/74/82/374127482.db2.gz HDWVKPMZDZWCJL-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300850 374128724 /nfs/dbraw/zinc/12/87/24/374128724.db2.gz NAYPPNCTJXLKHB-NEPJUHHUSA-N 2 1 241.379 0.768 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000424130320 206032116 /nfs/dbraw/zinc/03/21/16/206032116.db2.gz HJXABNVMGASDLD-QCNOEVLYSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424381568 206039204 /nfs/dbraw/zinc/03/92/04/206039204.db2.gz RABJBWKWGFMBTL-UWVGGRQHSA-N 3 1 235.322 0.948 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000334150654 182302664 /nfs/dbraw/zinc/30/26/64/182302664.db2.gz JJOZXLPVLHDTGL-LLVKDONJSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000044726738 182302757 /nfs/dbraw/zinc/30/27/57/182302757.db2.gz VGGFKDOFYXBXAQ-ZYHUDNBSSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000132897573 182303104 /nfs/dbraw/zinc/30/31/04/182303104.db2.gz QHKNBDVDOOMGAJ-UTUOFQBUSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000250527334 182336098 /nfs/dbraw/zinc/33/60/98/182336098.db2.gz QHKNBDVDOOMGAJ-SRVKXCTJSA-N 2 1 237.347 0.481 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000166640846 206140213 /nfs/dbraw/zinc/14/02/13/206140213.db2.gz HCZDGPATVJTESA-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000166639605 206141741 /nfs/dbraw/zinc/14/17/41/206141741.db2.gz BQXPUPNMWWLLJQ-NSHDSACASA-N 2 1 229.368 0.690 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000166638441 206142828 /nfs/dbraw/zinc/14/28/28/206142828.db2.gz FQKWXIACKSWHAR-UHFFFAOYSA-N 2 1 229.368 0.819 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000037480520 169006493 /nfs/dbraw/zinc/00/64/93/169006493.db2.gz LDNBVSOAYHFHDA-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP OC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359225405 183154652 /nfs/dbraw/zinc/15/46/52/183154652.db2.gz SWNTWNQATIFRGL-GFCCVEGCSA-N 2 1 228.336 0.069 20 0 BCADMP O[C@@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCCC1 ZINC000343686713 183179709 /nfs/dbraw/zinc/17/97/09/183179709.db2.gz CQSXZOPFDQUKEI-ZDUSSCGKSA-N 2 1 240.347 0.379 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000354955870 169067892 /nfs/dbraw/zinc/06/78/92/169067892.db2.gz XSFLYCXTLCEVLD-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354955870 169067895 /nfs/dbraw/zinc/06/78/95/169067895.db2.gz XSFLYCXTLCEVLD-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354955870 169067898 /nfs/dbraw/zinc/06/78/98/169067898.db2.gz XSFLYCXTLCEVLD-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362497638 169068057 /nfs/dbraw/zinc/06/80/57/169068057.db2.gz JDEVWXJJZULEPP-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358534921 169069332 /nfs/dbraw/zinc/06/93/32/169069332.db2.gz MLNXESGXJVGNGX-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)C1CC1 ZINC000359270959 169070794 /nfs/dbraw/zinc/07/07/94/169070794.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)C1CC1 ZINC000359270959 169070796 /nfs/dbraw/zinc/07/07/96/169070796.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000359270959 169070798 /nfs/dbraw/zinc/07/07/98/169070798.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@H+](C)CC(=O)NCCn1cc[nH+]c1C ZINC000359273630 169071076 /nfs/dbraw/zinc/07/10/76/169071076.db2.gz CGNPTRCXNXNHHJ-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCn1cc[nH+]c1C ZINC000359273630 169071077 /nfs/dbraw/zinc/07/10/77/169071077.db2.gz CGNPTRCXNXNHHJ-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000355591305 169071411 /nfs/dbraw/zinc/07/14/11/169071411.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000355591305 169071413 /nfs/dbraw/zinc/07/14/13/169071413.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000355591305 169071414 /nfs/dbraw/zinc/07/14/14/169071414.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000355591303 169073167 /nfs/dbraw/zinc/07/31/67/169073167.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000355591303 169073168 /nfs/dbraw/zinc/07/31/68/169073168.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000355591303 169073169 /nfs/dbraw/zinc/07/31/69/169073169.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357290714 169073185 /nfs/dbraw/zinc/07/31/85/169073185.db2.gz DIDGNZGUYHMXLM-GMXVVIOVSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357234621 169077388 /nfs/dbraw/zinc/07/73/88/169077388.db2.gz CCOAGLCFBMBQAR-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]C ZINC000309624629 169065725 /nfs/dbraw/zinc/06/57/25/169065725.db2.gz INLZKLMVYARCNF-UHFFFAOYSA-N 2 1 201.314 0.006 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000300356401 183225536 /nfs/dbraw/zinc/22/55/36/183225536.db2.gz KZWXRZVASBCJIO-LPEHRKFASA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000300356401 183225537 /nfs/dbraw/zinc/22/55/37/183225537.db2.gz KZWXRZVASBCJIO-LPEHRKFASA-N 2 1 234.290 0.829 20 0 BCADMP CCC[N@H+](CC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000037539275 169095895 /nfs/dbraw/zinc/09/58/95/169095895.db2.gz OGEUWNAWKAIIHH-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+](CC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000037539275 169095898 /nfs/dbraw/zinc/09/58/98/169095898.db2.gz OGEUWNAWKAIIHH-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1CC[NH2+]CC1 ZINC000226406892 169120327 /nfs/dbraw/zinc/12/03/27/169120327.db2.gz FNIQOKKPIFCTLU-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000226407779 169120620 /nfs/dbraw/zinc/12/06/20/169120620.db2.gz LWIKEFIPODYIHY-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC ZINC000226407239 169120684 /nfs/dbraw/zinc/12/06/84/169120684.db2.gz JEXPBPLRXJLOTC-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC[NH3+] ZINC000226407768 169121231 /nfs/dbraw/zinc/12/12/31/169121231.db2.gz YFVIFRYCIIPOCE-UHFFFAOYSA-N 2 1 201.314 0.183 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000226407544 169121335 /nfs/dbraw/zinc/12/13/35/169121335.db2.gz SXZMWANADPKCRX-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)NC)CC1 ZINC000111240532 169187450 /nfs/dbraw/zinc/18/74/50/169187450.db2.gz ZEFPJVPUOACUHS-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000236763314 169194686 /nfs/dbraw/zinc/19/46/86/169194686.db2.gz NLPSODDMPPUOIQ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950058 169194772 /nfs/dbraw/zinc/19/47/72/169194772.db2.gz WKZMQCXPNKMQBO-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236766167 169197712 /nfs/dbraw/zinc/19/77/12/169197712.db2.gz UOVRGKJYXDANQZ-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000236765252 169198985 /nfs/dbraw/zinc/19/89/85/169198985.db2.gz NLPSODDMPPUOIQ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000236765444 169199013 /nfs/dbraw/zinc/19/90/13/169199013.db2.gz BOBWZNRZRWDKJF-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403805 183345561 /nfs/dbraw/zinc/34/55/61/183345561.db2.gz DGCZLMCTOTVFGY-CQSZACIVSA-N 2 1 246.358 0.561 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071238 169246562 /nfs/dbraw/zinc/24/65/62/169246562.db2.gz KRYVVQHIKNMSDU-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071238 169246564 /nfs/dbraw/zinc/24/65/64/169246564.db2.gz KRYVVQHIKNMSDU-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000226399993 169387781 /nfs/dbraw/zinc/38/77/81/169387781.db2.gz BCJNEUKROUPJDA-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH3+])[C@H](C)C1 ZINC000178814157 134315694 /nfs/dbraw/zinc/31/56/94/134315694.db2.gz LDJYNLHXHYCWKM-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CCN1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000086435559 535457494 /nfs/dbraw/zinc/45/74/94/535457494.db2.gz CAVZULKVGKEVPQ-UHFFFAOYSA-N 2 1 229.368 0.378 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000086435559 535457497 /nfs/dbraw/zinc/45/74/97/535457497.db2.gz CAVZULKVGKEVPQ-UHFFFAOYSA-N 3 1 229.368 0.378 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000086435559 535457500 /nfs/dbraw/zinc/45/75/00/535457500.db2.gz CAVZULKVGKEVPQ-UHFFFAOYSA-N 3 1 229.368 0.378 20 0 BCADMP CC[NH+]1CCC(N(C)CCOCC[NH3+])CC1 ZINC000086435559 535457502 /nfs/dbraw/zinc/45/75/02/535457502.db2.gz CAVZULKVGKEVPQ-UHFFFAOYSA-N 2 1 229.368 0.378 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000226325473 134360311 /nfs/dbraw/zinc/36/03/11/134360311.db2.gz YEBZPJFFUOYIKI-GXSJLCMTSA-N 2 1 232.393 0.783 20 0 BCADMP C[NH2+][C@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000401727737 383866745 /nfs/dbraw/zinc/86/67/45/383866745.db2.gz MSYRYHAKKWJYDX-NSHDSACASA-N 2 1 222.336 0.646 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000305112190 383986669 /nfs/dbraw/zinc/98/66/69/383986669.db2.gz GJDBWGMLTWNBCZ-WDEREUQCSA-N 2 1 244.379 0.845 20 0 BCADMP C[NH2+]C1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000518535772 383993646 /nfs/dbraw/zinc/99/36/46/383993646.db2.gz KLLMHEBALPZMPR-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000518535772 383993656 /nfs/dbraw/zinc/99/36/56/383993656.db2.gz KLLMHEBALPZMPR-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357237268 383971678 /nfs/dbraw/zinc/97/16/78/383971678.db2.gz FLJVPDBLBPMSSG-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000401786862 384004318 /nfs/dbraw/zinc/00/43/18/384004318.db2.gz DUCBPEGWHFULMO-LLVKDONJSA-N 3 1 222.336 0.504 20 0 BCADMP C[NH2+]C[C@H]1CCN(CCc2cncn2C)C1 ZINC000401786862 384004325 /nfs/dbraw/zinc/00/43/25/384004325.db2.gz DUCBPEGWHFULMO-LLVKDONJSA-N 3 1 222.336 0.504 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000157815008 384004571 /nfs/dbraw/zinc/00/45/71/384004571.db2.gz ULGHJSYPFZRUKP-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000157815152 384004760 /nfs/dbraw/zinc/00/47/60/384004760.db2.gz ULGHJSYPFZRUKP-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000157815428 384005708 /nfs/dbraw/zinc/00/57/08/384005708.db2.gz ULGHJSYPFZRUKP-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000648128661 384073283 /nfs/dbraw/zinc/07/32/83/384073283.db2.gz GZBDPVBFKDMPLX-KWQFWETISA-N 2 1 237.303 0.158 20 0 BCADMP CCOC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309495931 384099042 /nfs/dbraw/zinc/09/90/42/384099042.db2.gz KEFTYQPJHJWDCM-PHIMTYICSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310496853 384181973 /nfs/dbraw/zinc/18/19/73/384181973.db2.gz IJXAOPXEEQFZQJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CN(CCCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351646782 384203888 /nfs/dbraw/zinc/20/38/88/384203888.db2.gz HYKDVMFNKPIIMA-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)CCCCO)C1CC1 ZINC000351646782 384203894 /nfs/dbraw/zinc/20/38/94/384203894.db2.gz HYKDVMFNKPIIMA-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)CCCCO)C1CC1 ZINC000351646782 384203896 /nfs/dbraw/zinc/20/38/96/384203896.db2.gz HYKDVMFNKPIIMA-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CCCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351646782 384203903 /nfs/dbraw/zinc/20/39/03/384203903.db2.gz HYKDVMFNKPIIMA-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CCCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351646782 384203905 /nfs/dbraw/zinc/20/39/05/384203905.db2.gz HYKDVMFNKPIIMA-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CN(CCCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351646783 384205137 /nfs/dbraw/zinc/20/51/37/384205137.db2.gz HYKDVMFNKPIIMA-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CCCCO)C1CC1 ZINC000351646783 384205142 /nfs/dbraw/zinc/20/51/42/384205142.db2.gz HYKDVMFNKPIIMA-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCCCO)C1CC1 ZINC000351646783 384205145 /nfs/dbraw/zinc/20/51/45/384205145.db2.gz HYKDVMFNKPIIMA-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CCCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351646783 384205146 /nfs/dbraw/zinc/20/51/46/384205146.db2.gz HYKDVMFNKPIIMA-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CCCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351646783 384205150 /nfs/dbraw/zinc/20/51/50/384205150.db2.gz HYKDVMFNKPIIMA-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163259995 384195355 /nfs/dbraw/zinc/19/53/55/384195355.db2.gz BEEYTMJNBZCQHP-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370768264 384237567 /nfs/dbraw/zinc/23/75/67/384237567.db2.gz YUNIMDLTXLBVKT-LBPRGKRZSA-N 2 1 243.326 0.241 20 0 BCADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000132429523 384229956 /nfs/dbraw/zinc/22/99/56/384229956.db2.gz AYLCNYJPVZIGDS-QWHCGFSZSA-N 2 1 247.342 0.849 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648144548 384264817 /nfs/dbraw/zinc/26/48/17/384264817.db2.gz PKHUNTLSEFVKSD-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)[C@@H]1CCCC[NH2+]1 ZINC000333346472 384270704 /nfs/dbraw/zinc/27/07/04/384270704.db2.gz ZIGXACVIHGGJSJ-WOPDTQHZSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000168752962 384311964 /nfs/dbraw/zinc/31/19/64/384311964.db2.gz AJAIETYPBASZIS-RYUDHWBXSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228600777 384288682 /nfs/dbraw/zinc/28/86/82/384288682.db2.gz RLLUATQNBUQLQX-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342761 384294010 /nfs/dbraw/zinc/29/40/10/384294010.db2.gz XZEHBVBCIXGKFH-WZRBSPASSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342761 384294014 /nfs/dbraw/zinc/29/40/14/384294014.db2.gz XZEHBVBCIXGKFH-WZRBSPASSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352342761 384294018 /nfs/dbraw/zinc/29/40/18/384294018.db2.gz XZEHBVBCIXGKFH-WZRBSPASSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352342761 384294021 /nfs/dbraw/zinc/29/40/21/384294021.db2.gz XZEHBVBCIXGKFH-WZRBSPASSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773200 384295933 /nfs/dbraw/zinc/29/59/33/384295933.db2.gz NAVSNAVGFMAKOW-YFKTTZPYSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506565 384297076 /nfs/dbraw/zinc/29/70/76/384297076.db2.gz RZLBQRHDAKBCBF-YVECIDJPSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506565 384297080 /nfs/dbraw/zinc/29/70/80/384297080.db2.gz RZLBQRHDAKBCBF-YVECIDJPSA-N 3 1 241.379 0.423 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248485041 384337776 /nfs/dbraw/zinc/33/77/76/384337776.db2.gz KKFZBKHDHSBDCG-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293229 384351119 /nfs/dbraw/zinc/35/11/19/384351119.db2.gz HQVBZERFBOSMGL-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224290259 384352090 /nfs/dbraw/zinc/35/20/90/384352090.db2.gz YDPMESOZXZCGDM-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729504 384357085 /nfs/dbraw/zinc/35/70/85/384357085.db2.gz AKJNZBAUKRQUHX-UHFFFAOYSA-N 2 1 213.369 0.966 20 0 BCADMP CNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397340150 384383733 /nfs/dbraw/zinc/38/37/33/384383733.db2.gz VKHSZLDUTJHWAQ-AEJSXWLSSA-N 2 1 213.325 0.038 20 0 BCADMP CNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397340150 384383737 /nfs/dbraw/zinc/38/37/37/384383737.db2.gz VKHSZLDUTJHWAQ-AEJSXWLSSA-N 2 1 213.325 0.038 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CCS(C)(=O)=O ZINC000120835770 384383789 /nfs/dbraw/zinc/38/37/89/384383789.db2.gz QYBDCFZWESDTSE-UHFFFAOYSA-N 2 1 245.348 0.250 20 0 BCADMP CNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397340152 384384683 /nfs/dbraw/zinc/38/46/83/384384683.db2.gz VKHSZLDUTJHWAQ-BBBLOLIVSA-N 2 1 213.325 0.038 20 0 BCADMP CNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397340152 384384686 /nfs/dbraw/zinc/38/46/86/384384686.db2.gz VKHSZLDUTJHWAQ-BBBLOLIVSA-N 2 1 213.325 0.038 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000069839585 384387524 /nfs/dbraw/zinc/38/75/24/384387524.db2.gz VEGWWZDNEQHGDJ-JTQLQIEISA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648145426 384447844 /nfs/dbraw/zinc/44/78/44/384447844.db2.gz ROEUPIVLLDFJLA-AXTSPUMRSA-N 2 1 213.325 0.179 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC[N@H+]1C ZINC000648145976 384455747 /nfs/dbraw/zinc/45/57/47/384455747.db2.gz GZZBZLPHDZCPOF-HLTSFMKQSA-N 2 1 249.305 0.425 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397317366 384473412 /nfs/dbraw/zinc/47/34/12/384473412.db2.gz LRPOOXYWNDYJPB-OUAUKWLOSA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236649685 384543468 /nfs/dbraw/zinc/54/34/68/384543468.db2.gz VUCFRUWGVVZNCW-LBPRGKRZSA-N 2 1 229.368 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)CC[N@H+]1C ZINC000183639560 384544462 /nfs/dbraw/zinc/54/44/62/384544462.db2.gz KGAJNSNGQRRPAF-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000151186987 384549666 /nfs/dbraw/zinc/54/96/66/384549666.db2.gz DYGYLTKSLFFPJY-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151186987 384549677 /nfs/dbraw/zinc/54/96/77/384549677.db2.gz DYGYLTKSLFFPJY-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151186987 384549686 /nfs/dbraw/zinc/54/96/86/384549686.db2.gz DYGYLTKSLFFPJY-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP COCC[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566120034 384537225 /nfs/dbraw/zinc/53/72/25/384537225.db2.gz FBOHVUNWFBYTGV-WCQYABFASA-N 2 1 244.379 0.704 20 0 BCADMP COCC[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566120034 384537235 /nfs/dbraw/zinc/53/72/35/384537235.db2.gz FBOHVUNWFBYTGV-WCQYABFASA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000236783792 384577718 /nfs/dbraw/zinc/57/77/18/384577718.db2.gz WGDRWWUYLKZHQC-UMNHJUIQSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC000309746374 384579701 /nfs/dbraw/zinc/57/97/01/384579701.db2.gz FRDLVZYGQVJFNL-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000309746374 384579708 /nfs/dbraw/zinc/57/97/08/384579708.db2.gz FRDLVZYGQVJFNL-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624257 384589863 /nfs/dbraw/zinc/58/98/63/384589863.db2.gz QNVKRXAFSLDOOI-NEPJUHHUSA-N 2 1 241.379 0.816 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309792109 384613110 /nfs/dbraw/zinc/61/31/10/384613110.db2.gz PKEMBASMOAHNAM-JQWIXIFHSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000309796556 384616061 /nfs/dbraw/zinc/61/60/61/384616061.db2.gz QGZDOQNYQWCSOZ-JTQLQIEISA-N 2 1 234.365 0.138 20 0 BCADMP C[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000171631555 384617252 /nfs/dbraw/zinc/61/72/52/384617252.db2.gz KFPQVRSFVXPGMZ-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000171631555 384617255 /nfs/dbraw/zinc/61/72/55/384617255.db2.gz KFPQVRSFVXPGMZ-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079576 384619133 /nfs/dbraw/zinc/61/91/33/384619133.db2.gz IQTXGGXZOXQELM-AAEUAGOBSA-N 2 1 249.358 0.802 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000157872879 384599891 /nfs/dbraw/zinc/59/98/91/384599891.db2.gz TXXCPWOVVMIACV-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638211 384670373 /nfs/dbraw/zinc/67/03/73/384670373.db2.gz NNHAQANBIVAWRT-UHFFFAOYSA-N 2 1 215.341 0.381 20 0 BCADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000044533827 384658946 /nfs/dbraw/zinc/65/89/46/384658946.db2.gz UISWQPMMOZLYFB-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000044533827 384658957 /nfs/dbraw/zinc/65/89/57/384658957.db2.gz UISWQPMMOZLYFB-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP Cn1cncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000082394020 384677935 /nfs/dbraw/zinc/67/79/35/384677935.db2.gz MYVVRXXESRJZOS-UHFFFAOYSA-N 2 1 222.336 0.996 20 0 BCADMP COC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702774 384677941 /nfs/dbraw/zinc/67/79/41/384677941.db2.gz YRDKECOCKOCLPD-UHFFFAOYSA-N 2 1 200.282 0.091 20 0 BCADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000647546514 384730076 /nfs/dbraw/zinc/73/00/76/384730076.db2.gz NFZWMENQISMSLJ-ZGVCCVRISA-N 3 1 223.364 0.859 20 0 BCADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546227 384731622 /nfs/dbraw/zinc/73/16/22/384731622.db2.gz GBMZLJAFTWPZSD-LPWJVIDDSA-N 3 1 223.364 0.701 20 0 BCADMP CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546140 384731711 /nfs/dbraw/zinc/73/17/11/384731711.db2.gz AMGFQMPPXOODSY-WUHRBBMRSA-N 2 1 225.380 0.947 20 0 BCADMP N[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546821 384733413 /nfs/dbraw/zinc/73/34/13/384733413.db2.gz CTHGXLDBIANFRU-WUHRBBMRSA-N 2 1 223.364 0.701 20 0 BCADMP CC(C)(N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546690 384733701 /nfs/dbraw/zinc/73/37/01/384733701.db2.gz VWSUORALJTVHJC-OUAUKWLOSA-N 2 1 211.353 0.701 20 0 BCADMP CCN[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546797 384734794 /nfs/dbraw/zinc/73/47/94/384734794.db2.gz BTIAGDVDDZHGRM-FVCCEPFGSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547397 384737109 /nfs/dbraw/zinc/73/71/09/384737109.db2.gz VBKSSLXSFUVILU-PREPNJAASA-N 2 1 211.353 0.700 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548076 384750395 /nfs/dbraw/zinc/75/03/95/384750395.db2.gz USRXDWRQKSGOIO-FIQHERPVSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000104418490 384826951 /nfs/dbraw/zinc/82/69/51/384826951.db2.gz YWJVTTDCPQVGQL-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CC1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH2+]C1 ZINC000335063289 384789321 /nfs/dbraw/zinc/78/93/21/384789321.db2.gz NMZAXKPGIGAQNA-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CC1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH2+]C1 ZINC000335063289 384789325 /nfs/dbraw/zinc/78/93/25/384789325.db2.gz NMZAXKPGIGAQNA-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CC(C)C[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000083834970 384801270 /nfs/dbraw/zinc/80/12/70/384801270.db2.gz ZTJTVIPQPALYDI-UHFFFAOYSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648191167 384805976 /nfs/dbraw/zinc/80/59/76/384805976.db2.gz YIJSAHUOSVIUBU-UKKRHICBSA-N 2 1 227.352 0.569 20 0 BCADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000126851896 384837086 /nfs/dbraw/zinc/83/70/86/384837086.db2.gz CMSMWNHMKDJTOC-OLZOCXBDSA-N 2 1 247.342 0.767 20 0 BCADMP C[NH+](C)[C@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000126852313 384838420 /nfs/dbraw/zinc/83/84/20/384838420.db2.gz CMSMWNHMKDJTOC-STQMWFEESA-N 2 1 247.342 0.767 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370785953 384859926 /nfs/dbraw/zinc/85/99/26/384859926.db2.gz GYXQOJUKGHBONQ-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP O=C1OCC[C@]12CCC[N@H+]2CCn1ccnc1 ZINC000186681034 384868144 /nfs/dbraw/zinc/86/81/44/384868144.db2.gz IOODHUFSGNKXQJ-GFCCVEGCSA-N 2 1 235.287 0.665 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC000564941433 384907232 /nfs/dbraw/zinc/90/72/32/384907232.db2.gz WXDYACRNCBUSIY-UHFFFAOYSA-N 2 1 229.368 0.831 20 0 BCADMP CC(C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054207 384923854 /nfs/dbraw/zinc/92/38/54/384923854.db2.gz XQMDIAPYVNXUII-GHMZBOCLSA-N 2 1 212.337 0.974 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000257362115 384923882 /nfs/dbraw/zinc/92/38/82/384923882.db2.gz AEXFFJPCAWSWDI-VLEAKVRGSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000257744928 384923959 /nfs/dbraw/zinc/92/39/59/384923959.db2.gz DQVWIRSTXWFLEH-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000310238939 384924035 /nfs/dbraw/zinc/92/40/35/384924035.db2.gz IFKPBPXEHCAUQX-NSHDSACASA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000310238939 384924042 /nfs/dbraw/zinc/92/40/42/384924042.db2.gz IFKPBPXEHCAUQX-NSHDSACASA-N 2 1 242.294 0.456 20 0 BCADMP COC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310259339 384930040 /nfs/dbraw/zinc/93/00/40/384930040.db2.gz HJMIAYLXPKZZQX-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310259339 384930044 /nfs/dbraw/zinc/93/00/44/384930044.db2.gz HJMIAYLXPKZZQX-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310259339 384930047 /nfs/dbraw/zinc/93/00/47/384930047.db2.gz HJMIAYLXPKZZQX-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310259339 384930049 /nfs/dbraw/zinc/93/00/49/384930049.db2.gz HJMIAYLXPKZZQX-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310259341 384931488 /nfs/dbraw/zinc/93/14/88/384931488.db2.gz HJMIAYLXPKZZQX-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310259341 384931493 /nfs/dbraw/zinc/93/14/93/384931493.db2.gz HJMIAYLXPKZZQX-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310259341 384931498 /nfs/dbraw/zinc/93/14/98/384931498.db2.gz HJMIAYLXPKZZQX-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310259341 384931503 /nfs/dbraw/zinc/93/15/03/384931503.db2.gz HJMIAYLXPKZZQX-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP C[NH2+]CCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258815911 384939747 /nfs/dbraw/zinc/93/97/47/384939747.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 1 213.369 0.870 20 0 BCADMP CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939857 /nfs/dbraw/zinc/93/98/57/384939857.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 1 242.363 0.552 20 0 BCADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940461 /nfs/dbraw/zinc/94/04/61/384940461.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 1 242.363 0.552 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000258794032 384942526 /nfs/dbraw/zinc/94/25/26/384942526.db2.gz BZKQTEGNTLSKMS-GFCCVEGCSA-N 2 1 238.331 0.755 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000258794032 384942529 /nfs/dbraw/zinc/94/25/29/384942529.db2.gz BZKQTEGNTLSKMS-GFCCVEGCSA-N 2 1 238.331 0.755 20 0 BCADMP CCSCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313334440 384964748 /nfs/dbraw/zinc/96/47/48/384964748.db2.gz GMNGCCBONSAJFO-JTQLQIEISA-N 2 1 218.366 0.789 20 0 BCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000644582085 384987173 /nfs/dbraw/zinc/98/71/73/384987173.db2.gz WFSCEOGGHBXFJE-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000648148509 385000124 /nfs/dbraw/zinc/00/01/24/385000124.db2.gz LMYGSSXMJROWBQ-MXWKQRLJSA-N 2 1 239.363 0.583 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000226397749 385008555 /nfs/dbraw/zinc/00/85/55/385008555.db2.gz UCGFBFBULLNBMF-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399269 385008936 /nfs/dbraw/zinc/00/89/36/385008936.db2.gz ABJQLUIEUSCPPD-ONGXEEELSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000226389307 385009026 /nfs/dbraw/zinc/00/90/26/385009026.db2.gz BJYHQMLESOQFGK-SNVBAGLBSA-N 2 1 245.392 0.135 20 0 BCADMP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[N@@H+](C)C1CC1 ZINC000226399256 385009114 /nfs/dbraw/zinc/00/91/14/385009114.db2.gz ORXXPUXECONJMZ-MWLCHTKSSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000156916105 385019680 /nfs/dbraw/zinc/01/96/80/385019680.db2.gz VZARLHDVIPQDNU-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000037481302 385053678 /nfs/dbraw/zinc/05/36/78/385053678.db2.gz MCZAQVOSFOIWII-GFCCVEGCSA-N 2 1 227.352 0.668 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484947 385055183 /nfs/dbraw/zinc/05/51/83/385055183.db2.gz IIDFUFANGWLBQH-ZYHUDNBSSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485367 385056304 /nfs/dbraw/zinc/05/63/04/385056304.db2.gz NYGZQEJURMCWQC-ONGXEEELSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000644665534 385066878 /nfs/dbraw/zinc/06/68/78/385066878.db2.gz FPKNZENCLIKIPZ-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646941368 385069952 /nfs/dbraw/zinc/06/99/52/385069952.db2.gz YMXAJBGGFIXGSS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C(C[N@H+]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000051919457 385070129 /nfs/dbraw/zinc/07/01/29/385070129.db2.gz AGVALAQGYAASBY-GFCCVEGCSA-N 2 1 211.353 0.671 20 0 BCADMP C(CN1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000051919457 385070134 /nfs/dbraw/zinc/07/01/34/385070134.db2.gz AGVALAQGYAASBY-GFCCVEGCSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@@H+]1CCCNCC1)[C@H]1CCC[NH2+]C1 ZINC000051919457 385070140 /nfs/dbraw/zinc/07/01/40/385070140.db2.gz AGVALAQGYAASBY-GFCCVEGCSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@H+]1CCCNCC1)[C@H]1CCC[NH2+]C1 ZINC000051919457 385070144 /nfs/dbraw/zinc/07/01/44/385070144.db2.gz AGVALAQGYAASBY-GFCCVEGCSA-N 2 1 211.353 0.671 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646931297 385075676 /nfs/dbraw/zinc/07/56/76/385075676.db2.gz ZXTORLXLPOOHKL-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646931297 385075682 /nfs/dbraw/zinc/07/56/82/385075682.db2.gz ZXTORLXLPOOHKL-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646931297 385075689 /nfs/dbraw/zinc/07/56/89/385075689.db2.gz ZXTORLXLPOOHKL-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406170 385044076 /nfs/dbraw/zinc/04/40/76/385044076.db2.gz OFRCXLWAZYWEHF-OLZOCXBDSA-N 2 1 234.347 0.733 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406170 385044087 /nfs/dbraw/zinc/04/40/87/385044087.db2.gz OFRCXLWAZYWEHF-OLZOCXBDSA-N 2 1 234.347 0.733 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406172 385044187 /nfs/dbraw/zinc/04/41/87/385044187.db2.gz OFRCXLWAZYWEHF-STQMWFEESA-N 2 1 234.347 0.733 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406172 385044194 /nfs/dbraw/zinc/04/41/94/385044194.db2.gz OFRCXLWAZYWEHF-STQMWFEESA-N 2 1 234.347 0.733 20 0 BCADMP C[NH2+]CCSCC[N@@H+]1CCO[C@@H](C)C1 ZINC000566183714 385045840 /nfs/dbraw/zinc/04/58/40/385045840.db2.gz UGRPESPLROGXPO-JTQLQIEISA-N 2 1 218.366 0.660 20 0 BCADMP C[NH2+]CCSCC[N@H+]1CCO[C@@H](C)C1 ZINC000566183714 385045844 /nfs/dbraw/zinc/04/58/44/385045844.db2.gz UGRPESPLROGXPO-JTQLQIEISA-N 2 1 218.366 0.660 20 0 BCADMP CC[C@@H](O)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000644632227 385046961 /nfs/dbraw/zinc/04/69/61/385046961.db2.gz DBOBDKKDWXQMTN-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646979381 385109210 /nfs/dbraw/zinc/10/92/10/385109210.db2.gz GIHAZFCKDOPUFG-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP Cn1cncc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310547292 385110696 /nfs/dbraw/zinc/11/06/96/385110696.db2.gz FCPODXHZSGIJOO-TXEJJXNPSA-N 3 1 234.347 0.852 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000647642455 385116633 /nfs/dbraw/zinc/11/66/33/385116633.db2.gz GEDIYSJLWLUGKA-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310570655 385122920 /nfs/dbraw/zinc/12/29/20/385122920.db2.gz NWPVOXDVFGCIAX-BETUJISGSA-N 2 1 234.347 0.852 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647001365 385137321 /nfs/dbraw/zinc/13/73/21/385137321.db2.gz ACTGEQGJINVTAA-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313012003 385139868 /nfs/dbraw/zinc/13/98/68/385139868.db2.gz ARAGFBGUMUPADO-VXGBXAGGSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313012003 385139871 /nfs/dbraw/zinc/13/98/71/385139871.db2.gz ARAGFBGUMUPADO-VXGBXAGGSA-N 2 1 242.363 0.456 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000404846632 385099392 /nfs/dbraw/zinc/09/93/92/385099392.db2.gz PAKCEKYQLILJPF-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000646976394 385105062 /nfs/dbraw/zinc/10/50/62/385105062.db2.gz LPQSNBDHKMYPMC-YUMQZZPRSA-N 2 1 235.278 0.085 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404923967 385184007 /nfs/dbraw/zinc/18/40/07/385184007.db2.gz YZRGEGGEELFQFY-DTWKUNHWSA-N 2 1 213.325 0.228 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246564661 385186503 /nfs/dbraw/zinc/18/65/03/385186503.db2.gz UOOUDDNTGMASSD-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000252714114 385222240 /nfs/dbraw/zinc/22/22/40/385222240.db2.gz RAIPGGPAACBXRA-NWDGAFQWSA-N 2 1 222.336 0.813 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726819 385223956 /nfs/dbraw/zinc/22/39/56/385223956.db2.gz BHRGUWZZGCNCMC-WPRPVWTQSA-N 2 1 211.309 0.077 20 0 BCADMP COCC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000177344344 385225600 /nfs/dbraw/zinc/22/56/00/385225600.db2.gz YFSJZYVHHHVOQE-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP COC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308862110 385231616 /nfs/dbraw/zinc/23/16/16/385231616.db2.gz APVGYGOWMKFFKF-AOOOYVTPSA-N 2 1 212.293 0.091 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000589473628 385306377 /nfs/dbraw/zinc/30/63/77/385306377.db2.gz GMDCPDVQRLCCDX-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931636 385314244 /nfs/dbraw/zinc/31/42/44/385314244.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154391227 385321899 /nfs/dbraw/zinc/32/18/99/385321899.db2.gz YBPKCSZAWMIGKM-AAEUAGOBSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000648148791 385264805 /nfs/dbraw/zinc/26/48/05/385264805.db2.gz ICEUHMOVHMFBOS-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000166641484 385267906 /nfs/dbraw/zinc/26/79/06/385267906.db2.gz FXPMQDUWIFDDCV-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000259333340 385284866 /nfs/dbraw/zinc/28/48/66/385284866.db2.gz XXMCUIARYQSBBY-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000167203846 385301944 /nfs/dbraw/zinc/30/19/44/385301944.db2.gz DAXBNQNQVBASEB-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165017659 385338879 /nfs/dbraw/zinc/33/88/79/385338879.db2.gz DLJZROFGXAQEDX-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000165055176 385339441 /nfs/dbraw/zinc/33/94/41/385339441.db2.gz DWKBEMISORJQTD-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](C)C1 ZINC000390486957 385343863 /nfs/dbraw/zinc/34/38/63/385343863.db2.gz OYHNLUMXCLMYAK-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](C)C1 ZINC000390486957 385343866 /nfs/dbraw/zinc/34/38/66/385343866.db2.gz OYHNLUMXCLMYAK-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000492344857 385360958 /nfs/dbraw/zinc/36/09/58/385360958.db2.gz WHLKPZLAEMLHSV-BYAJROORSA-N 2 1 239.363 0.655 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405231439 385390021 /nfs/dbraw/zinc/39/00/21/385390021.db2.gz AZZAPETUMHYVHN-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151177 385327035 /nfs/dbraw/zinc/32/70/35/385327035.db2.gz QKQGKGQFUKMCMH-GRYCIOLGSA-N 2 1 210.321 0.563 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/C[NH+](C)C ZINC000492648290 385412614 /nfs/dbraw/zinc/41/26/14/385412614.db2.gz NWDHDJUFNMADCQ-AATRIKPKSA-N 2 1 239.363 0.657 20 0 BCADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194535933 385440129 /nfs/dbraw/zinc/44/01/29/385440129.db2.gz ZDKAOGOPIAQZRB-TXEJJXNPSA-N 2 1 220.320 0.712 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@H+]1C ZINC000156296309 385444314 /nfs/dbraw/zinc/44/43/14/385444314.db2.gz JVTARRACACTBAJ-NXEZZACHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@@H+](Cc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000020266579 385456561 /nfs/dbraw/zinc/45/65/61/385456561.db2.gz NGSLCDQQVDSUJY-LLVKDONJSA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+](Cc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000020266579 385456565 /nfs/dbraw/zinc/45/65/65/385456565.db2.gz NGSLCDQQVDSUJY-LLVKDONJSA-N 2 1 212.268 0.577 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599233 385478720 /nfs/dbraw/zinc/47/87/20/385478720.db2.gz KRRHFKJQYFCHDR-YPMHNXCESA-N 2 1 237.347 0.196 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000336772026 385484843 /nfs/dbraw/zinc/48/48/43/385484843.db2.gz UZHMMPAIYMXTSH-VIFPVBQESA-N 2 1 240.269 0.984 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000644811871 385517371 /nfs/dbraw/zinc/51/73/71/385517371.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000644811871 385517375 /nfs/dbraw/zinc/51/73/75/385517375.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000644811871 385517376 /nfs/dbraw/zinc/51/73/76/385517376.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 2 1 237.347 0.101 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000257750168 385496821 /nfs/dbraw/zinc/49/68/21/385496821.db2.gz YJWXMQLMWYARJP-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+]1CCC([NH2+]CCCn2cccn2)CC1 ZINC000157543839 385508344 /nfs/dbraw/zinc/50/83/44/385508344.db2.gz QLUCRKCPZHKSCK-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309351859 385544322 /nfs/dbraw/zinc/54/43/22/385544322.db2.gz NGVCLGCUWNVVQE-RYUDHWBXSA-N 2 1 228.336 0.021 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)CC[N@@H+]1C ZINC000309314541 385527986 /nfs/dbraw/zinc/52/79/86/385527986.db2.gz FUDQSOGLAKAZGU-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)CC[N@H+]1C ZINC000309314541 385527988 /nfs/dbraw/zinc/52/79/88/385527988.db2.gz FUDQSOGLAKAZGU-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP COc1cc(C)[nH+]c(Cn2cc(CC[NH3+])nn2)c1 ZINC000158206098 385553153 /nfs/dbraw/zinc/55/31/53/385553153.db2.gz ZSXDHVYXSQBMAF-UHFFFAOYSA-N 2 1 247.302 0.540 20 0 BCADMP CC[N@@H+](CCOC)C[C@H](O)CN(C)C1CC1 ZINC000309394395 385561678 /nfs/dbraw/zinc/56/16/78/385561678.db2.gz IDZCNCLBWATUMI-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@]1(C)CCCO1 ZINC000309453458 385585305 /nfs/dbraw/zinc/58/53/05/385585305.db2.gz NBOAOGYLFCKRFA-SRVKXCTJSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000082645584 385626679 /nfs/dbraw/zinc/62/66/79/385626679.db2.gz LUKYMOKOWANSEV-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000082645584 385626682 /nfs/dbraw/zinc/62/66/82/385626682.db2.gz LUKYMOKOWANSEV-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000082645530 385627661 /nfs/dbraw/zinc/62/76/61/385627661.db2.gz JJWSVRZDWBYTOT-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082645530 385627664 /nfs/dbraw/zinc/62/76/64/385627664.db2.gz JJWSVRZDWBYTOT-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644820555 385608122 /nfs/dbraw/zinc/60/81/22/385608122.db2.gz XPIXCAWIOGATKP-TUAOUCFPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000644820555 385608125 /nfs/dbraw/zinc/60/81/25/385608125.db2.gz XPIXCAWIOGATKP-TUAOUCFPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000644820555 385608128 /nfs/dbraw/zinc/60/81/28/385608128.db2.gz XPIXCAWIOGATKP-TUAOUCFPSA-N 2 1 237.347 0.243 20 0 BCADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309486505 385613245 /nfs/dbraw/zinc/61/32/45/385613245.db2.gz VQEZVHCJNTXHHD-NEPJUHHUSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309486505 385613251 /nfs/dbraw/zinc/61/32/51/385613251.db2.gz VQEZVHCJNTXHHD-NEPJUHHUSA-N 2 1 230.352 0.314 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309486735 385613404 /nfs/dbraw/zinc/61/34/04/385613404.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 1 230.352 0.408 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000309486735 385613410 /nfs/dbraw/zinc/61/34/10/385613410.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 1 230.352 0.408 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000337418086 385646306 /nfs/dbraw/zinc/64/63/06/385646306.db2.gz SLLYIOMEUFUXPE-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000259172794 385683689 /nfs/dbraw/zinc/68/36/89/385683689.db2.gz OEVPXENAGUGZAJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000259172799 385684667 /nfs/dbraw/zinc/68/46/67/385684667.db2.gz OEVPXENAGUGZAJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221821122 385716416 /nfs/dbraw/zinc/71/64/16/385716416.db2.gz PCVICTWTULQXCN-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221821122 385716425 /nfs/dbraw/zinc/71/64/25/385716425.db2.gz PCVICTWTULQXCN-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP CCCC[N@H+](CCn1cc[nH+]c1C)CC(N)=O ZINC000270697613 385730606 /nfs/dbraw/zinc/73/06/06/385730606.db2.gz ZIQYKYXXLOVJFE-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CCCC[N@@H+](CCn1cc[nH+]c1C)CC(N)=O ZINC000270697613 385730610 /nfs/dbraw/zinc/73/06/10/385730610.db2.gz ZIQYKYXXLOVJFE-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1nc(C)ccc1O ZINC000414860353 385746973 /nfs/dbraw/zinc/74/69/73/385746973.db2.gz PLRKHNGLQVTLSU-UHFFFAOYSA-N 2 1 209.293 0.795 20 0 BCADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590024 385720625 /nfs/dbraw/zinc/72/06/25/385720625.db2.gz UNLDDVXFPZMMPI-KOLCDFICSA-N 2 1 241.360 0.860 20 0 BCADMP C1C[C@H]([NH2+][C@@H]2CCOC2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000647793559 385726504 /nfs/dbraw/zinc/72/65/04/385726504.db2.gz AGGMACDNZYFCAN-VOAKCMCISA-N 2 1 240.347 0.522 20 0 BCADMP CCN[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952079 385824653 /nfs/dbraw/zinc/82/46/53/385824653.db2.gz HZSREWBUWFWHEI-UTUOFQBUSA-N 2 1 213.369 0.962 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cn1cccn1 ZINC000414953669 385833289 /nfs/dbraw/zinc/83/32/89/385833289.db2.gz JYVOVXZDDZEFIB-GHMZBOCLSA-N 2 1 210.325 0.859 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH3+])C[N@H+]1C1CC1 ZINC000331747661 385891154 /nfs/dbraw/zinc/89/11/54/385891154.db2.gz DVTVZQKHCJHVFT-ZJUUUORDSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000336721554 385911679 /nfs/dbraw/zinc/91/16/79/385911679.db2.gz DSROZCGHSRTCBS-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335032298 385920993 /nfs/dbraw/zinc/92/09/93/385920993.db2.gz NQDWFLFNIQKKCO-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1C ZINC000340467303 385860567 /nfs/dbraw/zinc/86/05/67/385860567.db2.gz GPFBCLRSVMELQK-GFCCVEGCSA-N 2 1 248.334 0.851 20 0 BCADMP COCCOCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815148 385869134 /nfs/dbraw/zinc/86/91/34/385869134.db2.gz RFDWVDALHTYMJW-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647836746 385879548 /nfs/dbraw/zinc/87/95/48/385879548.db2.gz VHZFJCAKAPXWCP-LBPRGKRZSA-N 2 1 235.331 0.427 20 0 BCADMP C[NH2+]C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000647838489 385881465 /nfs/dbraw/zinc/88/14/65/385881465.db2.gz FPJVANKTLQNJND-UHFFFAOYSA-N 2 1 235.331 0.569 20 0 BCADMP CCC(CC)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414973298 385991615 /nfs/dbraw/zinc/99/16/15/385991615.db2.gz ZFBKNPAEOJHXJJ-LBPRGKRZSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414967939 385935038 /nfs/dbraw/zinc/93/50/38/385935038.db2.gz BYHFIRDISIHOGP-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](CO)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)CO ZINC000342087822 385936387 /nfs/dbraw/zinc/93/63/87/385936387.db2.gz RGCLWSRWKRKAIN-IEVRTODYSA-N 2 1 230.352 0.168 20 0 BCADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338262396 385943509 /nfs/dbraw/zinc/94/35/09/385943509.db2.gz GEFCMUYVALJDPF-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338262396 385943515 /nfs/dbraw/zinc/94/35/15/385943515.db2.gz GEFCMUYVALJDPF-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417443970 385948996 /nfs/dbraw/zinc/94/89/96/385948996.db2.gz BMBJOYOOTNGKMX-ZJUUUORDSA-N 2 1 230.356 0.363 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000338361068 385970900 /nfs/dbraw/zinc/97/09/00/385970900.db2.gz LNZUNADECHUEJH-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865885 385999864 /nfs/dbraw/zinc/99/98/64/385999864.db2.gz WKQPLVWQHMUOMR-YNEHKIRRSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865885 385999869 /nfs/dbraw/zinc/99/98/69/385999869.db2.gz WKQPLVWQHMUOMR-YNEHKIRRSA-N 3 1 241.379 0.424 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C[C@@H]1C ZINC000414113839 386008530 /nfs/dbraw/zinc/00/85/30/386008530.db2.gz LABFYJXBMJPRBN-YFKTTZPYSA-N 2 1 214.353 0.933 20 0 BCADMP COC(=O)c1ccc(C[NH2+][C@H](C)CC[NH3+])o1 ZINC000414883144 386016466 /nfs/dbraw/zinc/01/64/66/386016466.db2.gz MUTXNIKDDSTVCZ-MRVPVSSYSA-N 2 1 226.276 0.893 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978269 386040054 /nfs/dbraw/zinc/04/00/54/386040054.db2.gz RKHOIBWLBDWJRR-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](CC)C(C)C ZINC000417466106 386040030 /nfs/dbraw/zinc/04/00/30/386040030.db2.gz UCUKMAPQFWBZJP-NSHDSACASA-N 2 1 244.383 0.753 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345311312 386101172 /nfs/dbraw/zinc/10/11/72/386101172.db2.gz DNGLFIPQXVMXJQ-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729342 386104635 /nfs/dbraw/zinc/10/46/35/386104635.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729342 386104637 /nfs/dbraw/zinc/10/46/37/386104637.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729342 386104640 /nfs/dbraw/zinc/10/46/40/386104640.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCOC1 ZINC000336729342 386104644 /nfs/dbraw/zinc/10/46/44/386104644.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCOC1 ZINC000336729342 386104645 /nfs/dbraw/zinc/10/46/45/386104645.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414666407 386112446 /nfs/dbraw/zinc/11/24/46/386112446.db2.gz GFPAHBFWRAPFRP-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CC[N@@H+](CCNC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000417478705 386113416 /nfs/dbraw/zinc/11/34/16/386113416.db2.gz DRPLIJYZPBOFQV-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP C[N@@H+](CCn1ccnc1)[C@@H]1CCC[C@H]1O ZINC000286765769 386072118 /nfs/dbraw/zinc/07/21/18/386072118.db2.gz ZLZIFFZQOKJWGB-GHMZBOCLSA-N 2 1 209.293 0.728 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCO)COC)[C@@H](C)C1 ZINC000345238537 386075281 /nfs/dbraw/zinc/07/52/81/386075281.db2.gz IMPGKHGOHPWNSX-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677521 386158115 /nfs/dbraw/zinc/15/81/15/386158115.db2.gz JEUKSLBCPIYKCF-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CCOC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414678701 386160606 /nfs/dbraw/zinc/16/06/06/386160606.db2.gz QVJZXZZVIPSHRN-QWRGUYRKSA-N 2 1 228.336 0.869 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[NH2+]C1 ZINC000414996189 386176066 /nfs/dbraw/zinc/17/60/66/386176066.db2.gz OGPQIMPIPWRKQB-SZQBSXBZSA-N 3 1 223.364 0.844 20 0 BCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130650958 386180401 /nfs/dbraw/zinc/18/04/01/386180401.db2.gz AGTMVVWLCPGSMR-UHTWSYAYSA-N 2 1 234.347 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000310379981 386181093 /nfs/dbraw/zinc/18/10/93/386181093.db2.gz BFCPWOVRGNCWOM-RYUDHWBXSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000310379981 386181102 /nfs/dbraw/zinc/18/11/02/386181102.db2.gz BFCPWOVRGNCWOM-RYUDHWBXSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000414669911 386135869 /nfs/dbraw/zinc/13/58/69/386135869.db2.gz CFAMYIMCZJVKNB-SRVKXCTJSA-N 2 1 241.379 0.946 20 0 BCADMP COC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414671617 386141365 /nfs/dbraw/zinc/14/13/65/386141365.db2.gz GOCQVEQURMVVGF-VHSXEESVSA-N 2 1 214.309 0.479 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414891742 386143471 /nfs/dbraw/zinc/14/34/71/386143471.db2.gz WWNDESOMUPWAEZ-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414891741 386143938 /nfs/dbraw/zinc/14/39/38/386143938.db2.gz WWNDESOMUPWAEZ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000346980574 386204081 /nfs/dbraw/zinc/20/40/81/386204081.db2.gz LZZJIFJLCJDXJO-RYUDHWBXSA-N 2 1 241.379 0.376 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702313 386208363 /nfs/dbraw/zinc/20/83/63/386208363.db2.gz IHEPNAJIEUVLJO-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP COC[C@@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414707007 386216556 /nfs/dbraw/zinc/21/65/56/386216556.db2.gz LYUVOJLXFQOUKI-VXGBXAGGSA-N 2 1 232.368 0.737 20 0 BCADMP Cn1nnc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000347125313 386237131 /nfs/dbraw/zinc/23/71/31/386237131.db2.gz YBGGUGSFIFMYFG-NSHDSACASA-N 2 1 245.330 0.749 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000125302606 386245068 /nfs/dbraw/zinc/24/50/68/386245068.db2.gz DAZWARSXQLADLM-VIFPVBQESA-N 2 1 200.282 0.220 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC(C)(C)CC[NH3+] ZINC000638355153 386245859 /nfs/dbraw/zinc/24/58/59/386245859.db2.gz GLLDDDQNLJAFHG-UHFFFAOYSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC(C)(C)CC[NH3+] ZINC000638355363 386247129 /nfs/dbraw/zinc/24/71/29/386247129.db2.gz JYCSLHJCUZAOKI-UHFFFAOYSA-N 2 1 224.308 0.435 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694722 386192888 /nfs/dbraw/zinc/19/28/88/386192888.db2.gz DQMGTCHPBOYWDU-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2COC[C@H]2O)C1 ZINC000340283112 386196002 /nfs/dbraw/zinc/19/60/02/386196002.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000340283112 386196006 /nfs/dbraw/zinc/19/60/06/386196006.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000340283112 386196009 /nfs/dbraw/zinc/19/60/09/386196009.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000340283112 386196011 /nfs/dbraw/zinc/19/60/11/386196011.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000340283112 386196015 /nfs/dbraw/zinc/19/60/15/386196015.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@H+](CCCn1cc[nH+]c1C)CC(N)=O ZINC000276365514 386311295 /nfs/dbraw/zinc/31/12/95/386311295.db2.gz BQMBKRDLTPBKCL-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC(N)=O ZINC000276365514 386311298 /nfs/dbraw/zinc/31/12/98/386311298.db2.gz BQMBKRDLTPBKCL-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CC[NH2+]CCNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417538671 386316235 /nfs/dbraw/zinc/31/62/35/386316235.db2.gz DPJBNLPMCOUEEG-SNVBAGLBSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336671417 386318240 /nfs/dbraw/zinc/31/82/40/386318240.db2.gz KBIOGNCIAWRGCK-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC1=CC[N@H+](CCNC(=O)C[NH+](C)C)CC1 ZINC000347243636 386276703 /nfs/dbraw/zinc/27/67/03/386276703.db2.gz JYLOXAAHCAQQCX-UHFFFAOYSA-N 2 1 225.336 0.316 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)C[NH+](C)C)CC1 ZINC000347243636 386276706 /nfs/dbraw/zinc/27/67/06/386276706.db2.gz JYLOXAAHCAQQCX-UHFFFAOYSA-N 2 1 225.336 0.316 20 0 BCADMP C[C@@H](CNC(=O)NC(C)(C)C[NH3+])[N@@H+](C)C1CC1 ZINC000417549306 386341810 /nfs/dbraw/zinc/34/18/10/386341810.db2.gz JNQRKRQKLMDBAL-VIFPVBQESA-N 2 1 242.367 0.506 20 0 BCADMP CNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277542 386342938 /nfs/dbraw/zinc/34/29/38/386342938.db2.gz JAUGWHOKVLWTTE-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP COC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277606 386343485 /nfs/dbraw/zinc/34/34/85/386343485.db2.gz KCSYKAVMENYUGV-SNVBAGLBSA-N 2 1 226.320 0.623 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000414746654 386346583 /nfs/dbraw/zinc/34/65/83/386346583.db2.gz SOYBQGUUBYMYGM-GRYCIOLGSA-N 2 1 214.353 0.920 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000647989169 386347110 /nfs/dbraw/zinc/34/71/10/386347110.db2.gz SPANULKKJRBMBW-PWSUYJOCSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000647989169 386347115 /nfs/dbraw/zinc/34/71/15/386347115.db2.gz SPANULKKJRBMBW-PWSUYJOCSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[N@@H+](C)C1CC1 ZINC000417547560 386347968 /nfs/dbraw/zinc/34/79/68/386347968.db2.gz HAXAFPLWDQPYNZ-VHSXEESVSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2cncn2)CCN1C ZINC000336688279 386350867 /nfs/dbraw/zinc/35/08/67/386350867.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 1 237.351 0.693 20 0 BCADMP C[C@@H]1C[C@H](N(C)CCn2cncn2)CC[N@@H+]1C ZINC000336688279 386350872 /nfs/dbraw/zinc/35/08/72/386350872.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 1 237.351 0.693 20 0 BCADMP C[C@H](CNC(=O)N[C@@H](C)C[NH3+])[N@@H+](C)C1CC1 ZINC000417552220 386355432 /nfs/dbraw/zinc/35/54/32/386355432.db2.gz QCOKGDODENEEMZ-DTWKUNHWSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417552221 386355805 /nfs/dbraw/zinc/35/58/05/386355805.db2.gz QCOKGDODENEEMZ-IUCAKERBSA-N 2 1 228.340 0.116 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417552510 386358679 /nfs/dbraw/zinc/35/86/79/386358679.db2.gz RLORQQOLYMAAOS-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417552508 386359671 /nfs/dbraw/zinc/35/96/71/386359671.db2.gz RLORQQOLYMAAOS-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347375095 386371317 /nfs/dbraw/zinc/37/13/17/386371317.db2.gz SPEAVMQJCKTBCH-GRYCIOLGSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+]CCCNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417556170 386380148 /nfs/dbraw/zinc/38/01/48/386380148.db2.gz ZZSZIEHTRNQJSB-JTQLQIEISA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275724 386336511 /nfs/dbraw/zinc/33/65/11/386336511.db2.gz CUHODPOUFLMUKJ-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](N)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275724 386336515 /nfs/dbraw/zinc/33/65/15/386336515.db2.gz CUHODPOUFLMUKJ-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](N)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275724 386336520 /nfs/dbraw/zinc/33/65/20/386336520.db2.gz CUHODPOUFLMUKJ-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1CCC[NH3+])CC[NH2+]CC2 ZINC000335276511 386339430 /nfs/dbraw/zinc/33/94/30/386339430.db2.gz FDNNNYGCLQRXSO-LLVKDONJSA-N 3 1 211.353 0.799 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCNC1=O ZINC000414767269 386440972 /nfs/dbraw/zinc/44/09/72/386440972.db2.gz SIAHNQMEDGSPOE-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399188421 386443808 /nfs/dbraw/zinc/44/38/08/386443808.db2.gz HKDKVHLQNQIMPO-SNVBAGLBSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+](CCO)CC1CC1)C1CC1 ZINC000336722151 386448191 /nfs/dbraw/zinc/44/81/91/386448191.db2.gz STOZTRIIBCCQPP-ZDUSSCGKSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+](CCO)CC1CC1)C1CC1 ZINC000336722151 386448194 /nfs/dbraw/zinc/44/81/94/386448194.db2.gz STOZTRIIBCCQPP-ZDUSSCGKSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](CCO)CC1CC1)C1CC1 ZINC000336722151 386448195 /nfs/dbraw/zinc/44/81/95/386448195.db2.gz STOZTRIIBCCQPP-ZDUSSCGKSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](CCO)CC1CC1)C1CC1 ZINC000336722151 386448199 /nfs/dbraw/zinc/44/81/99/386448199.db2.gz STOZTRIIBCCQPP-ZDUSSCGKSA-N 2 1 242.363 0.146 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417612689 386451442 /nfs/dbraw/zinc/45/14/42/386451442.db2.gz RNYIQQSAPIEWNL-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC(C)C[C@@H](C)C[N@H+](CC[NH3+])CCO ZINC000414908634 386409880 /nfs/dbraw/zinc/40/98/80/386409880.db2.gz FRDUTOIFEGHJKW-LLVKDONJSA-N 2 1 202.342 0.922 20 0 BCADMP CC(C)C[C@@H](C)C[N@@H+](CC[NH3+])CCO ZINC000414908634 386409882 /nfs/dbraw/zinc/40/98/82/386409882.db2.gz FRDUTOIFEGHJKW-LLVKDONJSA-N 2 1 202.342 0.922 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760230 386413501 /nfs/dbraw/zinc/41/35/01/386413501.db2.gz GUUMQBUJJWONIS-QCNOEVLYSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1N ZINC000414760230 386413508 /nfs/dbraw/zinc/41/35/08/386413508.db2.gz GUUMQBUJJWONIS-QCNOEVLYSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1N ZINC000414760230 386413515 /nfs/dbraw/zinc/41/35/15/386413515.db2.gz GUUMQBUJJWONIS-QCNOEVLYSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417134110 386451783 /nfs/dbraw/zinc/45/17/83/386451783.db2.gz IFCKSPWQCDFMBE-GARJFASQSA-N 2 1 240.351 0.260 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647991329 386422227 /nfs/dbraw/zinc/42/22/27/386422227.db2.gz ZYSATYWDHIWQRO-NSHDSACASA-N 2 1 227.352 0.300 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647991329 386422231 /nfs/dbraw/zinc/42/22/31/386422231.db2.gz ZYSATYWDHIWQRO-NSHDSACASA-N 2 1 227.352 0.300 20 0 BCADMP C[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761510 386422591 /nfs/dbraw/zinc/42/25/91/386422591.db2.gz UABRMEYMDMUEAR-WRWGMCAJSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@@H+](CCO)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336712911 386428852 /nfs/dbraw/zinc/42/88/52/386428852.db2.gz RYJWWSARINWKTN-GFCCVEGCSA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000211701295 386430395 /nfs/dbraw/zinc/43/03/95/386430395.db2.gz AWKZFUDBIYSRKO-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@]1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]C1 ZINC000414766226 386432846 /nfs/dbraw/zinc/43/28/46/386432846.db2.gz HGUSKSVSVUMTLE-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@H](CNC(=O)NCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000417009698 386435271 /nfs/dbraw/zinc/43/52/71/386435271.db2.gz KOGPGJWXZHBBBY-WDEREUQCSA-N 2 1 242.367 0.365 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417628611 386467953 /nfs/dbraw/zinc/46/79/53/386467953.db2.gz RBBPTBOLSWVYTG-SNVBAGLBSA-N 2 1 242.367 0.378 20 0 BCADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH2+]CC1 ZINC000366412916 386469788 /nfs/dbraw/zinc/46/97/88/386469788.db2.gz FWQWRUVPFIOEQC-RYUDHWBXSA-N 2 1 237.347 0.293 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774746 386472247 /nfs/dbraw/zinc/47/22/47/386472247.db2.gz FWJXRFOGCQDXQF-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000414776776 386474007 /nfs/dbraw/zinc/47/40/07/386474007.db2.gz DEVKTNNRMKDTTR-UHFFFAOYSA-N 2 1 211.353 0.799 20 0 BCADMP CN(CC1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000414776776 386474014 /nfs/dbraw/zinc/47/40/14/386474014.db2.gz DEVKTNNRMKDTTR-UHFFFAOYSA-N 2 1 211.353 0.799 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417632820 386479643 /nfs/dbraw/zinc/47/96/43/386479643.db2.gz XIWYZYKOGBENLU-IUCAKERBSA-N 2 1 228.340 0.116 20 0 BCADMP CC[C@H]1C[N@@H+](CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934788 386480490 /nfs/dbraw/zinc/48/04/90/386480490.db2.gz QGNFYFJERRLDCQ-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@]1(C)CCCO1 ZINC000340359288 386481155 /nfs/dbraw/zinc/48/11/55/386481155.db2.gz OMDWXNNHHFKBEZ-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000340359288 386481159 /nfs/dbraw/zinc/48/11/59/386481159.db2.gz OMDWXNNHHFKBEZ-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000339628242 386495169 /nfs/dbraw/zinc/49/51/69/386495169.db2.gz RYLLOOVBQUWUHL-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000339628242 386495172 /nfs/dbraw/zinc/49/51/72/386495172.db2.gz RYLLOOVBQUWUHL-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)CO ZINC000339628242 386495177 /nfs/dbraw/zinc/49/51/77/386495177.db2.gz RYLLOOVBQUWUHL-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000339628242 386495180 /nfs/dbraw/zinc/49/51/80/386495180.db2.gz RYLLOOVBQUWUHL-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335447312 386514366 /nfs/dbraw/zinc/51/43/66/386514366.db2.gz DPQAQYJYHPDZBY-MNOVXSKESA-N 2 1 220.320 0.759 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062891174 386530610 /nfs/dbraw/zinc/53/06/10/386530610.db2.gz RNLNIEVVNKDEHJ-CYBMUJFWSA-N 2 1 239.363 0.539 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335448781 386516909 /nfs/dbraw/zinc/51/69/09/386516909.db2.gz SFITWXSBEOKOCT-NWDGAFQWSA-N 3 1 225.380 0.964 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335448783 386517743 /nfs/dbraw/zinc/51/77/43/386517743.db2.gz SFITWXSBEOKOCT-VXGBXAGGSA-N 3 1 225.380 0.964 20 0 BCADMP c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)OCCO2 ZINC000415030568 386519057 /nfs/dbraw/zinc/51/90/57/386519057.db2.gz FCVOIXZYWASWQL-YABSGUDNSA-N 2 1 246.310 0.765 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062861116 386528019 /nfs/dbraw/zinc/52/80/19/386528019.db2.gz PKDXVFMOQOOSDQ-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447102 386454416 /nfs/dbraw/zinc/45/44/16/386454416.db2.gz MYKPOFHKNQWAPD-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380458 386455831 /nfs/dbraw/zinc/45/58/31/386455831.db2.gz ARFQBLDTNXMOJA-MNOVXSKESA-N 2 1 245.367 0.054 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341393 386461107 /nfs/dbraw/zinc/46/11/07/386461107.db2.gz VBZZLXCUWRLRQA-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341393 386461112 /nfs/dbraw/zinc/46/11/12/386461112.db2.gz VBZZLXCUWRLRQA-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977841 386578120 /nfs/dbraw/zinc/57/81/20/386578120.db2.gz IUQAGSBWMFXDOP-MNOVXSKESA-N 2 1 225.336 0.183 20 0 BCADMP CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336644481 386587114 /nfs/dbraw/zinc/58/71/14/386587114.db2.gz AMIXHBSHCXCMDO-WDEREUQCSA-N 2 1 200.326 0.831 20 0 BCADMP CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336644481 386587122 /nfs/dbraw/zinc/58/71/22/386587122.db2.gz AMIXHBSHCXCMDO-WDEREUQCSA-N 2 1 200.326 0.831 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978305 386594150 /nfs/dbraw/zinc/59/41/50/386594150.db2.gz PRECWGIKYQKSBE-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H](CC1CCOCC1)C[N@H+](CC[NH3+])CCO ZINC000414918418 386538170 /nfs/dbraw/zinc/53/81/70/386538170.db2.gz YPIZEOYOXSXRKP-LBPRGKRZSA-N 2 1 244.379 0.692 20 0 BCADMP C[C@@H](CC1CCOCC1)C[N@@H+](CC[NH3+])CCO ZINC000414918418 386538177 /nfs/dbraw/zinc/53/81/77/386538177.db2.gz YPIZEOYOXSXRKP-LBPRGKRZSA-N 2 1 244.379 0.692 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415058336 386542771 /nfs/dbraw/zinc/54/27/71/386542771.db2.gz VLMKRLAVQUIGKP-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415058336 386542777 /nfs/dbraw/zinc/54/27/77/386542777.db2.gz VLMKRLAVQUIGKP-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](O)C1 ZINC000061708385 386545195 /nfs/dbraw/zinc/54/51/95/386545195.db2.gz JUYYVNBMQRTNNE-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](O)C1 ZINC000061708385 386545199 /nfs/dbraw/zinc/54/51/99/386545199.db2.gz JUYYVNBMQRTNNE-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](O)C1 ZINC000061708385 386545205 /nfs/dbraw/zinc/54/52/05/386545205.db2.gz JUYYVNBMQRTNNE-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193321191 386546823 /nfs/dbraw/zinc/54/68/23/386546823.db2.gz HTNUVBOVCIWOMZ-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC[C@H](C)[NH3+] ZINC000193321201 386547709 /nfs/dbraw/zinc/54/77/09/386547709.db2.gz HTNUVBOVCIWOMZ-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1C ZINC000415069575 386552409 /nfs/dbraw/zinc/55/24/09/386552409.db2.gz PCGZAKJPFCWUML-GFCCVEGCSA-N 2 1 238.331 0.755 20 0 BCADMP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1C ZINC000415069575 386552414 /nfs/dbraw/zinc/55/24/14/386552414.db2.gz PCGZAKJPFCWUML-GFCCVEGCSA-N 2 1 238.331 0.755 20 0 BCADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415068848 386552837 /nfs/dbraw/zinc/55/28/37/386552837.db2.gz NRBKAAFHHPFSCQ-WCQYABFASA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196297 386553272 /nfs/dbraw/zinc/55/32/72/386553272.db2.gz CUWGHFYGJHTBAT-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196297 386553277 /nfs/dbraw/zinc/55/32/77/386553277.db2.gz CUWGHFYGJHTBAT-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP CN(C)c1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415052648 386553553 /nfs/dbraw/zinc/55/35/53/386553553.db2.gz IMIDAMYGCRXJPX-LBPRGKRZSA-N 2 1 237.347 0.504 20 0 BCADMP CN(C)c1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415052648 386553559 /nfs/dbraw/zinc/55/35/59/386553559.db2.gz IMIDAMYGCRXJPX-LBPRGKRZSA-N 2 1 237.347 0.504 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071719 386562147 /nfs/dbraw/zinc/56/21/47/386562147.db2.gz UJQPGRBXPIJPSR-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903579 386569992 /nfs/dbraw/zinc/56/99/92/386569992.db2.gz MLVUMULLRUAJGS-CHWSQXEVSA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903579 386569998 /nfs/dbraw/zinc/56/99/98/386569998.db2.gz MLVUMULLRUAJGS-CHWSQXEVSA-N 2 1 241.379 0.426 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(=O)NC ZINC000453396290 386570037 /nfs/dbraw/zinc/57/00/37/386570037.db2.gz HLEZKGKFEDEPSO-WHOHXGKFSA-N 2 1 241.379 0.829 20 0 BCADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(=O)NC ZINC000453396290 386570040 /nfs/dbraw/zinc/57/00/40/386570040.db2.gz HLEZKGKFEDEPSO-WHOHXGKFSA-N 2 1 241.379 0.829 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000335409907 386570935 /nfs/dbraw/zinc/57/09/35/386570935.db2.gz QXTONCVAHVEWNB-NWDGAFQWSA-N 2 1 237.347 0.245 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335409907 386570943 /nfs/dbraw/zinc/57/09/43/386570943.db2.gz QXTONCVAHVEWNB-NWDGAFQWSA-N 2 1 237.347 0.245 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415113691 386621958 /nfs/dbraw/zinc/62/19/58/386621958.db2.gz XFCVSWRUDMQOCD-OPRDCNLKSA-N 2 1 214.309 0.526 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415102413 386623647 /nfs/dbraw/zinc/62/36/47/386623647.db2.gz IUIXEHBHDRNJCI-XNWIYYODSA-N 2 1 214.309 0.655 20 0 BCADMP C[NH+](C)CCN(C(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000520248153 386625696 /nfs/dbraw/zinc/62/56/96/386625696.db2.gz QVOHUKCFXXVFBW-UHFFFAOYSA-N 2 1 249.305 0.523 20 0 BCADMP COC(=O)[C@@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000415143806 386639546 /nfs/dbraw/zinc/63/95/46/386639546.db2.gz UAVHWLMWHAANNV-LBPRGKRZSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000415143806 386639550 /nfs/dbraw/zinc/63/95/50/386639550.db2.gz UAVHWLMWHAANNV-LBPRGKRZSA-N 2 1 228.336 0.999 20 0 BCADMP Cn1nncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336758673 386646952 /nfs/dbraw/zinc/64/69/52/386646952.db2.gz ILZQAJRRVZINPG-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647937767 386647707 /nfs/dbraw/zinc/64/77/07/386647707.db2.gz ATDXIXUVMQHJAT-QWHCGFSZSA-N 2 1 249.358 0.945 20 0 BCADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414805428 386603878 /nfs/dbraw/zinc/60/38/78/386603878.db2.gz YLOQWTTWHGKZEC-GFCCVEGCSA-N 2 1 235.331 0.858 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](C)[NH3+] ZINC000335478238 386704549 /nfs/dbraw/zinc/70/45/49/386704549.db2.gz QXNKQSPHRKTEBP-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000520604432 386705593 /nfs/dbraw/zinc/70/55/93/386705593.db2.gz SIJUDWZIILXGIR-VIFPVBQESA-N 2 1 249.305 0.381 20 0 BCADMP CN(C)CC[N@H+](C)CCCNCc1cc[nH]n1 ZINC000623087964 386722758 /nfs/dbraw/zinc/72/27/58/386722758.db2.gz QRKDNXBHTJAVTE-UHFFFAOYSA-N 2 1 239.367 0.383 20 0 BCADMP CC[N@H+]1CC[C@H](NCC(F)(F)CN)[C@H](C)C1 ZINC000414928784 386724840 /nfs/dbraw/zinc/72/48/40/386724840.db2.gz MXHBCBJWVGUIMI-ZJUUUORDSA-N 2 1 235.322 0.900 20 0 BCADMP CC[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000414928784 386724843 /nfs/dbraw/zinc/72/48/43/386724843.db2.gz MXHBCBJWVGUIMI-ZJUUUORDSA-N 2 1 235.322 0.900 20 0 BCADMP CC[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000414928784 386724849 /nfs/dbraw/zinc/72/48/49/386724849.db2.gz MXHBCBJWVGUIMI-ZJUUUORDSA-N 2 1 235.322 0.900 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279913119 386755183 /nfs/dbraw/zinc/75/51/83/386755183.db2.gz FQWMGQWCDUUMNS-VOTSOKGWSA-N 2 1 237.347 0.482 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537483 386770091 /nfs/dbraw/zinc/77/00/91/386770091.db2.gz YIYDBGYHPBAKIH-NWDGAFQWSA-N 2 1 244.404 0.738 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@H+]1C ZINC000639273650 386775359 /nfs/dbraw/zinc/77/53/59/386775359.db2.gz TVBQVJPHHOHAPT-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@H+]1C ZINC000639273648 386776180 /nfs/dbraw/zinc/77/61/80/386776180.db2.gz TVBQVJPHHOHAPT-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396581308 386777842 /nfs/dbraw/zinc/77/78/42/386777842.db2.gz FNGKJKFYVJINSR-VWYCJHECSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000417805571 386786398 /nfs/dbraw/zinc/78/63/98/386786398.db2.gz HLIRWFGMKSOGHQ-SFYZADRCSA-N 2 1 235.278 0.085 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417809662 386787543 /nfs/dbraw/zinc/78/75/43/386787543.db2.gz HDSPTRWATWHNGW-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP C[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000334760301 386819640 /nfs/dbraw/zinc/81/96/40/386819640.db2.gz QOXXRKKJOSEZJQ-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000334760300 386820034 /nfs/dbraw/zinc/82/00/34/386820034.db2.gz QOXXRKKJOSEZJQ-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000417996243 386804757 /nfs/dbraw/zinc/80/47/57/386804757.db2.gz DRMRMYSUFVAWLO-WDEREUQCSA-N 2 1 242.367 0.378 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988528 386807365 /nfs/dbraw/zinc/80/73/65/386807365.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988528 386807371 /nfs/dbraw/zinc/80/73/71/386807371.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988528 386807374 /nfs/dbraw/zinc/80/73/74/386807374.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000417994915 386812651 /nfs/dbraw/zinc/81/26/51/386812651.db2.gz CQPGRWNOMIFMQQ-HBNTYKKESA-N 2 1 242.367 0.506 20 0 BCADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000425337687 386837461 /nfs/dbraw/zinc/83/74/61/386837461.db2.gz NJTJJJRSMYPEKA-MXWKQRLJSA-N 2 1 230.377 0.537 20 0 BCADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000425337687 386837468 /nfs/dbraw/zinc/83/74/68/386837468.db2.gz NJTJJJRSMYPEKA-MXWKQRLJSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NCCC[NH3+])CCC[N@H+]1C ZINC000418004221 386847807 /nfs/dbraw/zinc/84/78/07/386847807.db2.gz NXLOJYNCPFRLIR-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367283063 386848528 /nfs/dbraw/zinc/84/85/28/386848528.db2.gz RHEUXCIZJPDFND-VIFPVBQESA-N 2 1 249.305 0.392 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367283063 386848537 /nfs/dbraw/zinc/84/85/37/386848537.db2.gz RHEUXCIZJPDFND-VIFPVBQESA-N 2 1 249.305 0.392 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)[C@H](C)[NH3+] ZINC000367285685 386852611 /nfs/dbraw/zinc/85/26/11/386852611.db2.gz FVQXFQDMHCZTEZ-CSMHCCOUSA-N 2 1 235.278 0.035 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418005063 386855235 /nfs/dbraw/zinc/85/52/35/386855235.db2.gz OYYAFTFSVZBKEY-OUAUKWLOSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006201 386863635 /nfs/dbraw/zinc/86/36/35/386863635.db2.gz PXYYWBVIHAAXGS-HBNTYKKESA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336744577 386867091 /nfs/dbraw/zinc/86/70/91/386867091.db2.gz QGCNOMIIBLSEFB-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418009985 386885171 /nfs/dbraw/zinc/88/51/71/386885171.db2.gz VDWDIVQXIIPOAZ-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418009992 386885320 /nfs/dbraw/zinc/88/53/20/386885320.db2.gz VDWDIVQXIIPOAZ-WDEREUQCSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000358247145 386919941 /nfs/dbraw/zinc/91/99/41/386919941.db2.gz HRPNJGBMFHBXKZ-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000358247145 386919945 /nfs/dbraw/zinc/91/99/45/386919945.db2.gz HRPNJGBMFHBXKZ-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000358264040 386924454 /nfs/dbraw/zinc/92/44/54/386924454.db2.gz YBUAZZRSTFDXJM-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000358264040 386924456 /nfs/dbraw/zinc/92/44/56/386924456.db2.gz YBUAZZRSTFDXJM-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1C ZINC000648110988 386935443 /nfs/dbraw/zinc/93/54/43/386935443.db2.gz CHCUVSFFSOAFFL-HTQZYQBOSA-N 2 1 235.278 0.037 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1C ZINC000648110988 386935448 /nfs/dbraw/zinc/93/54/48/386935448.db2.gz CHCUVSFFSOAFFL-HTQZYQBOSA-N 2 1 235.278 0.037 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000334930798 387007041 /nfs/dbraw/zinc/00/70/41/387007041.db2.gz OAMMFRTZXWFPGA-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000334930798 387007046 /nfs/dbraw/zinc/00/70/46/387007046.db2.gz OAMMFRTZXWFPGA-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000334930798 387007050 /nfs/dbraw/zinc/00/70/50/387007050.db2.gz OAMMFRTZXWFPGA-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCC[NH2+]1 ZINC000332222338 386969838 /nfs/dbraw/zinc/96/98/38/386969838.db2.gz JMOGOXICZLBAEU-ZMLRMANQSA-N 2 1 234.347 0.997 20 0 BCADMP COCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395198306 386982165 /nfs/dbraw/zinc/98/21/65/386982165.db2.gz UFKRWCVDNSLWKG-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP O=C(C[NH2+]CC1CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368559240 386986226 /nfs/dbraw/zinc/98/62/26/386986226.db2.gz ZHZAZAAXJZMVSZ-VIFPVBQESA-N 2 1 247.289 0.052 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906116 386987500 /nfs/dbraw/zinc/98/75/00/386987500.db2.gz WTKKQLKHCXIXRH-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906922 386987770 /nfs/dbraw/zinc/98/77/70/386987770.db2.gz YNZAJBZKKVJUKA-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000341906922 386987775 /nfs/dbraw/zinc/98/77/75/386987775.db2.gz YNZAJBZKKVJUKA-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368592157 386987978 /nfs/dbraw/zinc/98/79/78/386987978.db2.gz PMQFJOGHOPYBTP-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368592157 386987982 /nfs/dbraw/zinc/98/79/82/386987982.db2.gz PMQFJOGHOPYBTP-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000334920898 386997075 /nfs/dbraw/zinc/99/70/75/386997075.db2.gz BOFFHYPHPRCRNU-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)(C)N1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332708602 387004371 /nfs/dbraw/zinc/00/43/71/387004371.db2.gz OGZLRJAQOSHFLB-MXWKQRLJSA-N 2 1 239.363 0.855 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000116402433 386949498 /nfs/dbraw/zinc/94/94/98/386949498.db2.gz MVRJBRPVGLGUBL-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000116402433 386949499 /nfs/dbraw/zinc/94/94/99/386949499.db2.gz MVRJBRPVGLGUBL-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP Cc1cnccc1NC(=O)N1CCN[C@H](C)C1 ZINC000334821295 386949620 /nfs/dbraw/zinc/94/96/20/386949620.db2.gz MJGCAJZLWXAPHC-SNVBAGLBSA-N 2 1 234.303 0.638 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334953651 387030063 /nfs/dbraw/zinc/03/00/63/387030063.db2.gz SNSRZQIKVRHTDA-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398997403 387037007 /nfs/dbraw/zinc/03/70/07/387037007.db2.gz ATLMNCJNGOLPSY-LLVKDONJSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[N@@H+](C)C1CC1 ZINC000398996791 387038037 /nfs/dbraw/zinc/03/80/37/387038037.db2.gz PXYWFGSBMVYGOP-CABZTGNLSA-N 2 1 239.363 0.713 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126760849 387038034 /nfs/dbraw/zinc/03/80/34/387038034.db2.gz JEFUMHINKRSJKI-PHIMTYICSA-N 2 1 220.320 0.380 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126760849 387038039 /nfs/dbraw/zinc/03/80/39/387038039.db2.gz JEFUMHINKRSJKI-PHIMTYICSA-N 2 1 220.320 0.380 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334959127 387039305 /nfs/dbraw/zinc/03/93/05/387039305.db2.gz RQFFTOLTWOAFFH-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399002979 387039717 /nfs/dbraw/zinc/03/97/17/387039717.db2.gz UNPCSBYJPIQQGV-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334960704 387041295 /nfs/dbraw/zinc/04/12/95/387041295.db2.gz XFGGIWQHQNKIED-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334960704 387041301 /nfs/dbraw/zinc/04/13/01/387041301.db2.gz XFGGIWQHQNKIED-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334960704 387041303 /nfs/dbraw/zinc/04/13/03/387041303.db2.gz XFGGIWQHQNKIED-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074252 387042913 /nfs/dbraw/zinc/04/29/13/387042913.db2.gz QLLQRKGMXHVZMR-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333600300 387045583 /nfs/dbraw/zinc/04/55/83/387045583.db2.gz QHPPHXHZVMXITO-IJLUTSLNSA-N 2 1 211.353 0.846 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648107885 387049287 /nfs/dbraw/zinc/04/92/87/387049287.db2.gz ZDCBBJUAIJLDGW-IVZWLZJFSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648107860 387049996 /nfs/dbraw/zinc/04/99/96/387049996.db2.gz WKXBFRBHBWXVRI-WISYIIOYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H]1OCC[C@@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000228058579 387064239 /nfs/dbraw/zinc/06/42/39/387064239.db2.gz HKHRDHDGUACDAV-ZYHUDNBSSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@@H+]1C ZINC000417400693 387023187 /nfs/dbraw/zinc/02/31/87/387023187.db2.gz KUDALDYRESIMMG-KKOKHZNYSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC[N@H+]1C ZINC000417400693 387023193 /nfs/dbraw/zinc/02/31/93/387023193.db2.gz KUDALDYRESIMMG-KKOKHZNYSA-N 2 1 212.337 0.972 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648105631 387025012 /nfs/dbraw/zinc/02/50/12/387025012.db2.gz OAWUECKSMSKYKS-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000648105653 387025715 /nfs/dbraw/zinc/02/57/15/387025715.db2.gz PAUZPEHVNUMZHC-WHOHXGKFSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000519161763 387025942 /nfs/dbraw/zinc/02/59/42/387025942.db2.gz NARNVMNLDYRKFM-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000648105905 387029579 /nfs/dbraw/zinc/02/95/79/387029579.db2.gz GMEOCNKUFSVOIW-GFCCVEGCSA-N 2 1 249.314 0.031 20 0 BCADMP COCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766336 387070862 /nfs/dbraw/zinc/07/08/62/387070862.db2.gz MNSXCAKJBUWYJG-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000333896284 387073126 /nfs/dbraw/zinc/07/31/26/387073126.db2.gz ASKIWIWAMNDSIQ-DCAQKATOSA-N 2 1 240.351 0.212 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000369964895 387078690 /nfs/dbraw/zinc/07/86/90/387078690.db2.gz VVNWMBNXRMAGGV-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000369964894 387080026 /nfs/dbraw/zinc/08/00/26/387080026.db2.gz VVNWMBNXRMAGGV-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000228329714 387081285 /nfs/dbraw/zinc/08/12/85/387081285.db2.gz SVFVKHKJNNADDZ-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695734 387084519 /nfs/dbraw/zinc/08/45/19/387084519.db2.gz DFTSYTVSUOEJQY-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695734 387084522 /nfs/dbraw/zinc/08/45/22/387084522.db2.gz DFTSYTVSUOEJQY-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1CCCC1 ZINC000070946069 387086079 /nfs/dbraw/zinc/08/60/79/387086079.db2.gz SQCLRMMTWYDJED-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCC1 ZINC000126970227 387092482 /nfs/dbraw/zinc/09/24/82/387092482.db2.gz ILFXCGQEXMTQMK-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCCC1 ZINC000126970227 387092485 /nfs/dbraw/zinc/09/24/85/387092485.db2.gz ILFXCGQEXMTQMK-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437409 387122261 /nfs/dbraw/zinc/12/22/61/387122261.db2.gz UBBFFAAWYQNHLJ-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250568511 387124087 /nfs/dbraw/zinc/12/40/87/387124087.db2.gz HFNDKUBMEPMVOU-WOPDTQHZSA-N 2 1 239.363 0.713 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000335030716 387124310 /nfs/dbraw/zinc/12/43/10/387124310.db2.gz PMRUEIDRIJRCAD-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571696250 387149254 /nfs/dbraw/zinc/14/92/54/387149254.db2.gz UHKLBMPOSVPTKE-DTORHVGOSA-N 2 1 247.289 0.323 20 0 BCADMP CC[C@H](NCC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423343575 387192688 /nfs/dbraw/zinc/19/26/88/387192688.db2.gz MAAOVJFIEKIQPL-IUCAKERBSA-N 2 1 221.295 0.701 20 0 BCADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH3+])cn1 ZINC000423315614 387157290 /nfs/dbraw/zinc/15/72/90/387157290.db2.gz AAZHUWKHSZOZFA-NXEZZACHSA-N 2 1 223.320 0.958 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321960 387163767 /nfs/dbraw/zinc/16/37/67/387163767.db2.gz GRAGCBBXDFVIJB-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423324522 387167218 /nfs/dbraw/zinc/16/72/18/387167218.db2.gz KIYCPWSMTHYOEP-PWSUYJOCSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423324522 387167223 /nfs/dbraw/zinc/16/72/23/387167223.db2.gz KIYCPWSMTHYOEP-PWSUYJOCSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423324521 387168213 /nfs/dbraw/zinc/16/82/13/387168213.db2.gz KIYCPWSMTHYOEP-JQWIXIFHSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423324521 387168218 /nfs/dbraw/zinc/16/82/18/387168218.db2.gz KIYCPWSMTHYOEP-JQWIXIFHSA-N 2 1 223.364 0.940 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000336360750 387193339 /nfs/dbraw/zinc/19/33/39/387193339.db2.gz ZNPKDZGFVZPIIW-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261765 387182686 /nfs/dbraw/zinc/18/26/86/387182686.db2.gz CRMCSGUUJVWIQA-HBNTYKKESA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261767 387184069 /nfs/dbraw/zinc/18/40/69/387184069.db2.gz CRMCSGUUJVWIQA-OUAUKWLOSA-N 2 1 225.336 0.419 20 0 BCADMP Cc1c(C[NH2+]C[C@@]2(C)CC[NH2+]C2)cnn1C ZINC000571882185 387191812 /nfs/dbraw/zinc/19/18/12/387191812.db2.gz RKBQCIDGHHPPCA-LBPRGKRZSA-N 2 1 222.336 0.818 20 0 BCADMP CC[N@@H+]1C[C@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000423343142 387191894 /nfs/dbraw/zinc/19/18/94/387191894.db2.gz ZGGVVLOOXYHLQN-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP CCN1C[C@H]([NH2+]CC2([NH3+])CCC2)[C@@H](C)C1 ZINC000423343142 387191899 /nfs/dbraw/zinc/19/18/99/387191899.db2.gz ZGGVVLOOXYHLQN-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](C[NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423300379 387133169 /nfs/dbraw/zinc/13/31/69/387133169.db2.gz RLSRYZSQRMEVCA-FOGDFJRCSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423300379 387133174 /nfs/dbraw/zinc/13/31/74/387133174.db2.gz RLSRYZSQRMEVCA-FOGDFJRCSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CCCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000643494838 387138119 /nfs/dbraw/zinc/13/81/19/387138119.db2.gz OQVNVLJWVYIVCK-IJLUTSLNSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000186805628 387140986 /nfs/dbraw/zinc/14/09/86/387140986.db2.gz YZAFMBYKOWIVKU-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000186805628 387140992 /nfs/dbraw/zinc/14/09/92/387140992.db2.gz YZAFMBYKOWIVKU-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300414284 387206706 /nfs/dbraw/zinc/20/67/06/387206706.db2.gz KUQNFOHZSMLBTJ-FDYHWXHSSA-N 2 1 244.379 0.702 20 0 BCADMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355879 387207603 /nfs/dbraw/zinc/20/76/03/387207603.db2.gz IUXYWOAACPSRGF-BZPMIXESSA-N 2 1 249.358 0.435 20 0 BCADMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355879 387207610 /nfs/dbraw/zinc/20/76/10/387207610.db2.gz IUXYWOAACPSRGF-BZPMIXESSA-N 2 1 249.358 0.435 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000423356501 387208717 /nfs/dbraw/zinc/20/87/17/387208717.db2.gz JZYUGLTXBUFMIG-YNEHKIRRSA-N 2 1 241.379 0.485 20 0 BCADMP C[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336377983 387210226 /nfs/dbraw/zinc/21/02/26/387210226.db2.gz WATBOOHXPLSMLD-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336377983 387210229 /nfs/dbraw/zinc/21/02/29/387210229.db2.gz WATBOOHXPLSMLD-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418197160 387211633 /nfs/dbraw/zinc/21/16/33/387211633.db2.gz FHFMRCFPPQPCMW-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000418197946 387211964 /nfs/dbraw/zinc/21/19/64/387211964.db2.gz KOGHADKPWHPXAF-JTQLQIEISA-N 2 1 244.383 0.752 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000423361699 387213445 /nfs/dbraw/zinc/21/34/45/387213445.db2.gz MMICHEJUQDNEQJ-USZNOCQGSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@H]2C)CCO1 ZINC000572001478 387218945 /nfs/dbraw/zinc/21/89/45/387218945.db2.gz RWQXEBLZLPYZPL-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@H]2C)CCO1 ZINC000572001478 387218949 /nfs/dbraw/zinc/21/89/49/387218949.db2.gz RWQXEBLZLPYZPL-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418204463 387219719 /nfs/dbraw/zinc/21/97/19/387219719.db2.gz PPTTUVNGQDCIAK-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000353513204 387219900 /nfs/dbraw/zinc/21/99/00/387219900.db2.gz KRIJDTBLTZJGFI-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418210281 387221500 /nfs/dbraw/zinc/22/15/00/387221500.db2.gz XLMGEEZJSWRGGU-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000423373127 387227951 /nfs/dbraw/zinc/22/79/51/387227951.db2.gz WIEDMVYGNDHTDW-DLOVCJGASA-N 2 1 212.337 0.999 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423404788 387241954 /nfs/dbraw/zinc/24/19/54/387241954.db2.gz XRSVRECOZNKURN-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)CC[N@H+]1C ZINC000300358426 387198940 /nfs/dbraw/zinc/19/89/40/387198940.db2.gz HBLBHPCEMHISAR-IJLUTSLNSA-N 2 1 228.336 0.210 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423349411 387200008 /nfs/dbraw/zinc/20/00/08/387200008.db2.gz WNRUDNSHAMPYHX-IUCAKERBSA-N 2 1 221.295 0.688 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)CC(F)(F)C[NH3+] ZINC000514945116 387312043 /nfs/dbraw/zinc/31/20/43/387312043.db2.gz OGWWKZXEQPOBCY-UHFFFAOYSA-N 2 1 237.294 0.475 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423470834 387317120 /nfs/dbraw/zinc/31/71/20/387317120.db2.gz GVIRFKZAWRTKDD-BBBLOLIVSA-N 2 1 233.306 0.523 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1C ZINC000648119868 387259970 /nfs/dbraw/zinc/25/99/70/387259970.db2.gz AQXINQKULCJOJV-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000645685054 387267948 /nfs/dbraw/zinc/26/79/48/387267948.db2.gz RUSJVBFHOKLBDW-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423383509 387268872 /nfs/dbraw/zinc/26/88/72/387268872.db2.gz JLQWGEOMDXZJOZ-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000645684862 387269809 /nfs/dbraw/zinc/26/98/09/387269809.db2.gz JSOMRTBYEPSAAP-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423393108 387277979 /nfs/dbraw/zinc/27/79/79/387277979.db2.gz YKHMKAONZRRYIN-QJPTWQEYSA-N 2 1 213.369 0.914 20 0 BCADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H](C)C[NH3+] ZINC000423393947 387279200 /nfs/dbraw/zinc/27/92/00/387279200.db2.gz MMZKQGFCDHYBNR-WDEREUQCSA-N 2 1 210.325 0.845 20 0 BCADMP COC[C@]1(CN[C@H]2C[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423439188 387288317 /nfs/dbraw/zinc/28/83/17/387288317.db2.gz VIUZVQNTCSIUOP-FRRDWIJNSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423438098 387288899 /nfs/dbraw/zinc/28/88/99/387288899.db2.gz GTKOIQLCEFAWHK-VPOLOUISSA-N 2 1 211.353 0.937 20 0 BCADMP COC[C@]1(CN[C@H]2C[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439195 387289022 /nfs/dbraw/zinc/28/90/22/387289022.db2.gz VIUZVQNTCSIUOP-RWMBFGLXSA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423441201 387290134 /nfs/dbraw/zinc/29/01/34/387290134.db2.gz AZVSATVIWNAVTD-VWYCJHECSA-N 2 1 211.353 0.939 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000514797908 387295426 /nfs/dbraw/zinc/29/54/26/387295426.db2.gz GWKYERUCJVYVSD-ONGXEEELSA-N 2 1 225.336 0.289 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000514797908 387295430 /nfs/dbraw/zinc/29/54/30/387295430.db2.gz GWKYERUCJVYVSD-ONGXEEELSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423448550 387297379 /nfs/dbraw/zinc/29/73/79/387297379.db2.gz QKMPTDQMMJPGNE-GMOBBJLQSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423448550 387297383 /nfs/dbraw/zinc/29/73/83/387297383.db2.gz QKMPTDQMMJPGNE-GMOBBJLQSA-N 2 1 211.353 0.794 20 0 BCADMP CC(C)[C@H](C(=O)NCC(F)(F)C[NH3+])[C@@H](C)[NH3+] ZINC000423540347 387366205 /nfs/dbraw/zinc/36/62/05/387366205.db2.gz JTTXKIRKTHLJMQ-SFYZADRCSA-N 2 1 237.294 0.316 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502390 387366783 /nfs/dbraw/zinc/36/67/83/387366783.db2.gz FEXZAJNEOQQGBU-NWDGAFQWSA-N 2 1 237.351 0.788 20 0 BCADMP C[C@@H]([NH2+]CCOC[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000515346122 387368832 /nfs/dbraw/zinc/36/88/32/387368832.db2.gz OCOGNYCFQGKWKC-JHJVBQTASA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547940 387370208 /nfs/dbraw/zinc/37/02/08/387370208.db2.gz GHUJEMJDMKZUFD-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546998 387370221 /nfs/dbraw/zinc/37/02/21/387370221.db2.gz ZWBCXAWOUQGCPV-WCQYABFASA-N 3 1 223.364 0.884 20 0 BCADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC000360953419 387372077 /nfs/dbraw/zinc/37/20/77/387372077.db2.gz AKEDMSACQILMRB-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423568533 387377687 /nfs/dbraw/zinc/37/76/87/387377687.db2.gz VLYXFQUFGRFHEL-PWSUYJOCSA-N 3 1 211.353 0.846 20 0 BCADMP CC[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423479935 387326131 /nfs/dbraw/zinc/32/61/31/387326131.db2.gz VQCVKAFCXLSNMC-NHCYSSNCSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483813 387329923 /nfs/dbraw/zinc/32/99/23/387329923.db2.gz RRONOWMVPUMXDN-GMTAPVOTSA-N 2 1 247.333 0.913 20 0 BCADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000515069726 387332218 /nfs/dbraw/zinc/33/22/18/387332218.db2.gz LWFYGLSGEWJRGY-UHFFFAOYSA-N 2 1 238.335 0.550 20 0 BCADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC(N)=O ZINC000515069726 387332225 /nfs/dbraw/zinc/33/22/25/387332225.db2.gz LWFYGLSGEWJRGY-UHFFFAOYSA-N 2 1 238.335 0.550 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423494396 387338424 /nfs/dbraw/zinc/33/84/24/387338424.db2.gz DDBSQFIOVVPFCR-RHYQMDGZSA-N 3 1 211.353 0.701 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423502763 387343231 /nfs/dbraw/zinc/34/32/31/387343231.db2.gz FIRKYFSRZYXFPZ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781859 387424851 /nfs/dbraw/zinc/42/48/51/387424851.db2.gz YEXLPXRUSVYLCY-QJPTWQEYSA-N 2 1 237.347 0.434 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C ZINC000423781836 387424939 /nfs/dbraw/zinc/42/49/39/387424939.db2.gz YAVXCWFQFABDLM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C ZINC000423781834 387425473 /nfs/dbraw/zinc/42/54/73/387425473.db2.gz YAVXCWFQFABDLM-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423782708 387425742 /nfs/dbraw/zinc/42/57/42/387425742.db2.gz ZWRQMBKIDACNDZ-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423782708 387425744 /nfs/dbraw/zinc/42/57/44/387425744.db2.gz ZWRQMBKIDACNDZ-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1([NH3+])CCCC1 ZINC000423847549 387433345 /nfs/dbraw/zinc/43/33/45/387433345.db2.gz MTPQAHHVWCFGBQ-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423842131 387433615 /nfs/dbraw/zinc/43/36/15/387433615.db2.gz GMEZCGOUEPJXPD-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423842129 387433739 /nfs/dbraw/zinc/43/37/39/387433739.db2.gz GMEZCGOUEPJXPD-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423844576 387434085 /nfs/dbraw/zinc/43/40/85/387434085.db2.gz JDQPQCHMQXOTHW-UWVGGRQHSA-N 2 1 227.352 0.522 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1(C)C[NH2+]C1 ZINC000423846609 387434859 /nfs/dbraw/zinc/43/48/59/387434859.db2.gz LMWIEVPEIGIGSI-UHFFFAOYSA-N 2 1 225.336 0.149 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1c[nH+]ccc1N ZINC000423844098 387435697 /nfs/dbraw/zinc/43/56/97/387435697.db2.gz ISJIUUQLJAPMQR-UHFFFAOYSA-N 2 1 248.330 0.660 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000423893733 387445980 /nfs/dbraw/zinc/44/59/80/387445980.db2.gz ATDBXJKZAYBNOQ-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000423893722 387446915 /nfs/dbraw/zinc/44/69/15/387446915.db2.gz ATDBXJKZAYBNOQ-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423956628 387457656 /nfs/dbraw/zinc/45/76/56/387457656.db2.gz OVSGBIDRJAUJMS-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656529 387392083 /nfs/dbraw/zinc/39/20/83/387392083.db2.gz XAIJRQSEYNFKMA-WRWGMCAJSA-N 2 1 239.363 0.807 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH3+] ZINC000423752609 387409543 /nfs/dbraw/zinc/40/95/43/387409543.db2.gz AWFVTULVFQASFB-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCC[NH3+] ZINC000423771731 387421180 /nfs/dbraw/zinc/42/11/80/387421180.db2.gz IXNXMZCUDBJAEC-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000423778049 387421707 /nfs/dbraw/zinc/42/17/07/387421707.db2.gz SLWOIRSXZQKXRJ-WDEREUQCSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474903 387496523 /nfs/dbraw/zinc/49/65/23/387496523.db2.gz MDAMZZNTSZATSU-RVMXOQNASA-N 2 1 241.379 0.436 20 0 BCADMP C[C@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474903 387496529 /nfs/dbraw/zinc/49/65/29/387496529.db2.gz MDAMZZNTSZATSU-RVMXOQNASA-N 2 1 241.379 0.436 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000374998099 387506663 /nfs/dbraw/zinc/50/66/63/387506663.db2.gz ZYOLVZVSHKYESV-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122342845 387513493 /nfs/dbraw/zinc/51/34/93/387513493.db2.gz AZNPPFYCNAKKPC-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122342845 387513496 /nfs/dbraw/zinc/51/34/96/387513496.db2.gz AZNPPFYCNAKKPC-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355314068 387517685 /nfs/dbraw/zinc/51/76/85/387517685.db2.gz GXDRECCXFNTQMO-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981518 387462769 /nfs/dbraw/zinc/46/27/69/387462769.db2.gz XICAELQFNMYBCA-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP CC(=O)NCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000516238148 387490859 /nfs/dbraw/zinc/49/08/59/387490859.db2.gz ATEGWIJGTQPFPF-CYBMUJFWSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000516238148 387490862 /nfs/dbraw/zinc/49/08/62/387490862.db2.gz ATEGWIJGTQPFPF-CYBMUJFWSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000516238148 387490863 /nfs/dbraw/zinc/49/08/63/387490863.db2.gz ATEGWIJGTQPFPF-CYBMUJFWSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000516238148 387490867 /nfs/dbraw/zinc/49/08/67/387490867.db2.gz ATEGWIJGTQPFPF-CYBMUJFWSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428141179 387583502 /nfs/dbraw/zinc/58/35/02/387583502.db2.gz XLHQMSFZUNQTJC-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CC[NH+](CCO)CC(C)C[N@@H+](CC)CCO ZINC000123892004 387598472 /nfs/dbraw/zinc/59/84/72/387598472.db2.gz ZITUDWUIPJKINE-UHFFFAOYSA-N 2 1 232.368 0.251 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422614448 387607333 /nfs/dbraw/zinc/60/73/33/387607333.db2.gz YQVCKGUWZKYXKO-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422610834 387607601 /nfs/dbraw/zinc/60/76/01/387607601.db2.gz QWPONOHWQKLKKO-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422710690 387622880 /nfs/dbraw/zinc/62/28/80/387622880.db2.gz LWRFDONBPSIFBT-WHOHXGKFSA-N 2 1 214.353 0.981 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(CO)CO ZINC000305653909 387624027 /nfs/dbraw/zinc/62/40/27/387624027.db2.gz CYZYBVPGDNLRGD-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(CO)CO ZINC000305653909 387624031 /nfs/dbraw/zinc/62/40/31/387624031.db2.gz CYZYBVPGDNLRGD-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(CO)CO ZINC000305653909 387624036 /nfs/dbraw/zinc/62/40/36/387624036.db2.gz CYZYBVPGDNLRGD-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(CO)CO ZINC000305653909 387624040 /nfs/dbraw/zinc/62/40/40/387624040.db2.gz CYZYBVPGDNLRGD-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000422038871 387545126 /nfs/dbraw/zinc/54/51/26/387545126.db2.gz QSDGLYUZQHBILJ-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](COC)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305144964 387561798 /nfs/dbraw/zinc/56/17/98/387561798.db2.gz RKYFLMWRJTYKJS-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630620 /nfs/dbraw/zinc/63/06/20/387630620.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP CCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630623 /nfs/dbraw/zinc/63/06/23/387630623.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430644314 387635147 /nfs/dbraw/zinc/63/51/47/387635147.db2.gz NAEMFFJCVOOUAQ-LLVKDONJSA-N 2 1 225.336 0.280 20 0 BCADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)NC1CCCC1 ZINC000430639017 387635414 /nfs/dbraw/zinc/63/54/14/387635414.db2.gz HBUYIJQBYAVHBJ-UHFFFAOYSA-N 2 1 239.363 0.731 20 0 BCADMP O=C(CC[N@H+]1CCC[NH2+]CC1)NC1CCCC1 ZINC000430639017 387635418 /nfs/dbraw/zinc/63/54/18/387635418.db2.gz HBUYIJQBYAVHBJ-UHFFFAOYSA-N 2 1 239.363 0.731 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430741800 387646484 /nfs/dbraw/zinc/64/64/84/387646484.db2.gz FAWGICLFOIDAFB-AXFHLTTASA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCCC[C@@H]1C ZINC000430742263 387646823 /nfs/dbraw/zinc/64/68/23/387646823.db2.gz LESPMRXLXYXVSP-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]CC(=O)NCCNc1cccc(C)[nH+]1 ZINC000430734221 387647707 /nfs/dbraw/zinc/64/77/07/387647707.db2.gz UWLHQVDPEMEQJK-UHFFFAOYSA-N 2 1 222.292 0.138 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000430739473 387647766 /nfs/dbraw/zinc/64/77/66/387647766.db2.gz HMZYIDYEKRSSII-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)C[C@@H]1C ZINC000430796237 387651130 /nfs/dbraw/zinc/65/11/30/387651130.db2.gz KBFMNTYSUZPYOJ-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000430782387 387651244 /nfs/dbraw/zinc/65/12/44/387651244.db2.gz IKYNDNUDLLEAKS-VXGBXAGGSA-N 2 1 241.379 0.770 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000430795866 387651669 /nfs/dbraw/zinc/65/16/69/387651669.db2.gz IMXCEHWTVWYABR-VWYCJHECSA-N 2 1 227.352 0.665 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000430795859 387652509 /nfs/dbraw/zinc/65/25/09/387652509.db2.gz IMXCEHWTVWYABR-GARJFASQSA-N 2 1 227.352 0.665 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000527757036 387695403 /nfs/dbraw/zinc/69/54/03/387695403.db2.gz CEUREVWRWBVKRK-NEPJUHHUSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]([NH2+]CCNC(=O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422749749 387655138 /nfs/dbraw/zinc/65/51/38/387655138.db2.gz ATTBVMAMBIUPCF-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]([NH2+]CCNC(=O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422749750 387655143 /nfs/dbraw/zinc/65/51/43/387655143.db2.gz ATTBVMAMBIUPCF-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362763980 387655468 /nfs/dbraw/zinc/65/54/68/387655468.db2.gz XYJJZAALMMCFNI-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422749861 387656646 /nfs/dbraw/zinc/65/66/46/387656646.db2.gz BEEFMYFAMNAUDY-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430890636 387658545 /nfs/dbraw/zinc/65/85/45/387658545.db2.gz RHEYCIBDLHKVTP-RYUDHWBXSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000430893651 387659708 /nfs/dbraw/zinc/65/97/08/387659708.db2.gz JWHOXBOTPWUPJD-PHIMTYICSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422757858 387661077 /nfs/dbraw/zinc/66/10/77/387661077.db2.gz IIOPZVADWQHJKI-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430920481 387661153 /nfs/dbraw/zinc/66/11/53/387661153.db2.gz PFQOVQKIFFPYQQ-IJLUTSLNSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430920481 387661156 /nfs/dbraw/zinc/66/11/56/387661156.db2.gz PFQOVQKIFFPYQQ-IJLUTSLNSA-N 2 1 241.379 0.911 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422758162 387661186 /nfs/dbraw/zinc/66/11/86/387661186.db2.gz NPYYBIWORGQOPP-GRYCIOLGSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000430963432 387665457 /nfs/dbraw/zinc/66/54/57/387665457.db2.gz UYEMMTQCKIDMAA-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422771346 387669699 /nfs/dbraw/zinc/66/96/99/387669699.db2.gz RDOLYFBTYMBZJM-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422771344 387670056 /nfs/dbraw/zinc/67/00/56/387670056.db2.gz RDOLYFBTYMBZJM-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431014719 387671100 /nfs/dbraw/zinc/67/11/00/387671100.db2.gz LDFRRBXYLHEUAT-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424138559 387673140 /nfs/dbraw/zinc/67/31/40/387673140.db2.gz DGCJQGRONRICKW-DBIOUOCHSA-N 2 1 225.336 0.275 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422777189 387673992 /nfs/dbraw/zinc/67/39/92/387673992.db2.gz FQJLDNMVRDCVCW-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422785326 387684869 /nfs/dbraw/zinc/68/48/69/387684869.db2.gz QVEOMKTZDYBQKV-RYUDHWBXSA-N 2 1 229.368 0.424 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422743156 387691067 /nfs/dbraw/zinc/69/10/67/387691067.db2.gz IBPARIMWEBVKGU-MNOVXSKESA-N 2 1 239.363 0.620 20 0 BCADMP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422743138 387691143 /nfs/dbraw/zinc/69/11/43/387691143.db2.gz HZRHXBWSIYJMEF-CHWSQXEVSA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422871467 387748466 /nfs/dbraw/zinc/74/84/66/387748466.db2.gz YZPFMBUKCOGNLH-IJLUTSLNSA-N 2 1 214.353 0.983 20 0 BCADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]1N ZINC000422871842 387748812 /nfs/dbraw/zinc/74/88/12/387748812.db2.gz ZUFQTKIMYPIRBR-JHJVBQTASA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422871842 387748817 /nfs/dbraw/zinc/74/88/17/387748817.db2.gz ZUFQTKIMYPIRBR-JHJVBQTASA-N 2 1 243.395 0.813 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000422872950 387753661 /nfs/dbraw/zinc/75/36/61/387753661.db2.gz JHGVLCJWBNEHCL-JHJVBQTASA-N 2 1 242.363 0.770 20 0 BCADMP C[C@H]([NH2+]CCN1CCCCC1)C1C[NH2+]C1 ZINC000422801797 387703367 /nfs/dbraw/zinc/70/33/67/387703367.db2.gz APWROVCBGSNPGU-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828085 387722092 /nfs/dbraw/zinc/72/20/92/387722092.db2.gz SSDFZLGQSLSLBZ-UTUOFQBUSA-N 2 1 243.420 0.893 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422789516 387732286 /nfs/dbraw/zinc/73/22/86/387732286.db2.gz TYZSXDXIFXXUQX-FIQHERPVSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422847922 387734139 /nfs/dbraw/zinc/73/41/39/387734139.db2.gz AEOZRPTVKQNIIK-NDBYEHHHSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422897772 387765387 /nfs/dbraw/zinc/76/53/87/387765387.db2.gz CSTRFOWYWHOWTK-UTUOFQBUSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422910379 387768537 /nfs/dbraw/zinc/76/85/37/387768537.db2.gz HYZRRFUERMGSIK-GUBZILKMSA-N 2 1 213.325 0.371 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000422908555 387769474 /nfs/dbraw/zinc/76/94/74/387769474.db2.gz YQJDENBXVDVLJQ-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H](NCC[N@@H+](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422913481 387770503 /nfs/dbraw/zinc/77/05/03/387770503.db2.gz YNIXHUWXZMHVEH-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000643529315 387777462 /nfs/dbraw/zinc/77/74/62/387777462.db2.gz YMGXPCQSPJZSGX-NXEZZACHSA-N 2 1 246.318 0.660 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422927709 387779853 /nfs/dbraw/zinc/77/98/53/387779853.db2.gz ZWNUTWATGFDFEH-GRYCIOLGSA-N 2 1 230.352 0.768 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422927712 387780109 /nfs/dbraw/zinc/78/01/09/387780109.db2.gz ZWNUTWATGFDFEH-SDDRHHMPSA-N 2 1 230.352 0.768 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422981414 387791732 /nfs/dbraw/zinc/79/17/32/387791732.db2.gz SQCPPXZBDDLUAM-VWYCJHECSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422980742 387791830 /nfs/dbraw/zinc/79/18/30/387791830.db2.gz QWMDVSCRIZEQGF-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422980743 387792212 /nfs/dbraw/zinc/79/22/12/387792212.db2.gz QWMDVSCRIZEQGF-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422981839 387794723 /nfs/dbraw/zinc/79/47/23/387794723.db2.gz UOVGMJRKYYGHKT-VPOLOUISSA-N 2 1 232.393 0.686 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])Cc1ccccc1 ZINC000424152630 387799950 /nfs/dbraw/zinc/79/99/50/387799950.db2.gz ISRXZCKKVRAPLU-OLZOCXBDSA-N 2 1 247.342 0.582 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432527703 387800193 /nfs/dbraw/zinc/80/01/93/387800193.db2.gz RGYIRXLHPYSHJW-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990241 387801207 /nfs/dbraw/zinc/80/12/07/387801207.db2.gz MYZUIOXGLABICH-RHYQMDGZSA-N 2 1 211.353 0.524 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422994541 387801695 /nfs/dbraw/zinc/80/16/95/387801695.db2.gz VOIABIILGZDGOS-MXWKQRLJSA-N 2 1 200.326 0.733 20 0 BCADMP COC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309469736 387803044 /nfs/dbraw/zinc/80/30/44/387803044.db2.gz UDMVBBZHJJUYBF-NSHDSACASA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309469736 387803045 /nfs/dbraw/zinc/80/30/45/387803045.db2.gz UDMVBBZHJJUYBF-NSHDSACASA-N 2 1 230.352 0.456 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882202 387758358 /nfs/dbraw/zinc/75/83/58/387758358.db2.gz ANSOPOXLIDFQHJ-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882202 387758362 /nfs/dbraw/zinc/75/83/62/387758362.db2.gz ANSOPOXLIDFQHJ-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422886969 387759321 /nfs/dbraw/zinc/75/93/21/387759321.db2.gz AFYJFHSQWKJCBV-GARJFASQSA-N 2 1 200.326 0.735 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422886968 387760295 /nfs/dbraw/zinc/76/02/95/387760295.db2.gz AFYJFHSQWKJCBV-DCAQKATOSA-N 2 1 200.326 0.735 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000418324179 387831371 /nfs/dbraw/zinc/83/13/71/387831371.db2.gz HGXBTCBCRMQIKL-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN1CCCC1=O ZINC000442774859 387836926 /nfs/dbraw/zinc/83/69/26/387836926.db2.gz DNIWCFIUNNGXTD-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000423074321 387873593 /nfs/dbraw/zinc/87/35/93/387873593.db2.gz UNQJKNAKTOZMGL-RHYQMDGZSA-N 2 1 212.337 0.735 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423031562 387847168 /nfs/dbraw/zinc/84/71/68/387847168.db2.gz XCUPJSCVPNYDNV-WISYIIOYSA-N 2 1 239.363 0.631 20 0 BCADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033443 387848633 /nfs/dbraw/zinc/84/86/33/387848633.db2.gz GRQNZEXYXHDOEF-RWMBFGLXSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423036452 387851184 /nfs/dbraw/zinc/85/11/84/387851184.db2.gz UASDBGHJVKSRGG-QWRGUYRKSA-N 2 1 212.337 0.737 20 0 BCADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423036933 387851411 /nfs/dbraw/zinc/85/14/11/387851411.db2.gz LZCRFEWRGHMBJQ-UMSGYPCISA-N 2 1 242.363 0.911 20 0 BCADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423035246 387851481 /nfs/dbraw/zinc/85/14/81/387851481.db2.gz RIHALJISLHDWPI-QWRGUYRKSA-N 2 1 212.337 0.879 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000423042173 387855437 /nfs/dbraw/zinc/85/54/37/387855437.db2.gz KJSCULXXTKJLFG-SRVKXCTJSA-N 2 1 230.352 0.768 20 0 BCADMP CC(C)OC(=O)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193645241 387858579 /nfs/dbraw/zinc/85/85/79/387858579.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 2 1 240.347 0.822 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645241 387858582 /nfs/dbraw/zinc/85/85/82/387858582.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 2 1 240.347 0.822 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645241 387858586 /nfs/dbraw/zinc/85/85/86/387858586.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 2 1 240.347 0.822 20 0 BCADMP CCCNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193630239 387859055 /nfs/dbraw/zinc/85/90/55/387859055.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 1 225.336 0.006 20 0 BCADMP CCCCNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193633758 387859261 /nfs/dbraw/zinc/85/92/61/387859261.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536232 387867831 /nfs/dbraw/zinc/86/78/31/387867831.db2.gz OVTRGLBLWWYHFQ-WOPDTQHZSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000643536232 387867833 /nfs/dbraw/zinc/86/78/33/387867833.db2.gz OVTRGLBLWWYHFQ-WOPDTQHZSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H](N)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000442659116 387814522 /nfs/dbraw/zinc/81/45/22/387814522.db2.gz KIFSBHQEBKEIOP-VXGBXAGGSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000442659116 387814527 /nfs/dbraw/zinc/81/45/27/387814527.db2.gz KIFSBHQEBKEIOP-VXGBXAGGSA-N 2 1 243.395 0.358 20 0 BCADMP CC[C@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000442654352 387815181 /nfs/dbraw/zinc/81/51/81/387815181.db2.gz BFIHYMWILKSGTA-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCO ZINC000423084270 387878332 /nfs/dbraw/zinc/87/83/32/387878332.db2.gz HISLHCXEBFPPNR-GHMZBOCLSA-N 2 1 200.326 0.737 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCC1 ZINC000443971056 387879193 /nfs/dbraw/zinc/87/91/93/387879193.db2.gz KMPQTYJECKJWEV-TXEJJXNPSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCC1 ZINC000443971056 387879198 /nfs/dbraw/zinc/87/91/98/387879198.db2.gz KMPQTYJECKJWEV-TXEJJXNPSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000423095246 387884348 /nfs/dbraw/zinc/88/43/48/387884348.db2.gz LTDVYGBIVFBPTD-QWHCGFSZSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CC=CCC1 ZINC000423094543 387884720 /nfs/dbraw/zinc/88/47/20/387884720.db2.gz KJDWDJUSJMLSPO-NEPJUHHUSA-N 2 1 211.353 0.964 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC=CCC1 ZINC000423094543 387884723 /nfs/dbraw/zinc/88/47/23/387884723.db2.gz KJDWDJUSJMLSPO-NEPJUHHUSA-N 2 1 211.353 0.964 20 0 BCADMP CCOC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000514667829 387908847 /nfs/dbraw/zinc/90/88/47/387908847.db2.gz LFYPBLBNIQOYNP-LBPRGKRZSA-N 2 1 241.335 0.569 20 0 BCADMP CCOC[C@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000514667823 387909084 /nfs/dbraw/zinc/90/90/84/387909084.db2.gz LFYPBLBNIQOYNP-GFCCVEGCSA-N 2 1 241.335 0.569 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430890909 387937339 /nfs/dbraw/zinc/93/73/39/387937339.db2.gz TXONFQZHWAOYOC-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423154221 387932633 /nfs/dbraw/zinc/93/26/33/387932633.db2.gz IWHUPDQEDUYTPX-VWYCJHECSA-N 2 1 227.352 0.631 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423143958 387920166 /nfs/dbraw/zinc/92/01/66/387920166.db2.gz FQIKAADGXYTWGR-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423143957 387921020 /nfs/dbraw/zinc/92/10/20/387921020.db2.gz FQIKAADGXYTWGR-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP Cc1cc(CNC(=O)[C@@H]2COCC[NH2+]2)cc(C)n1 ZINC000424196313 387922863 /nfs/dbraw/zinc/92/28/63/387922863.db2.gz FQGWNYSJLIBHKG-LBPRGKRZSA-N 2 1 249.314 0.303 20 0 BCADMP C[C@H]1CC2(C[N@H+]1Cc1ncnn1C)CC[NH2+]CC2 ZINC000424288044 387952892 /nfs/dbraw/zinc/95/28/92/387952892.db2.gz JVIFNXLDRJVHTF-NSHDSACASA-N 2 1 249.362 0.779 20 0 BCADMP Cc1cnc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000423168903 387953802 /nfs/dbraw/zinc/95/38/02/387953802.db2.gz VIGHPBWOYPQGNS-GWCFXTLKSA-N 2 1 234.347 0.915 20 0 BCADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H](C)O ZINC000423158096 387939347 /nfs/dbraw/zinc/93/93/47/387939347.db2.gz WGHWFQQJWDIIHY-NAKRPEOUSA-N 2 1 200.326 0.876 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438521643 387940359 /nfs/dbraw/zinc/94/03/59/387940359.db2.gz FAHVUQIBJGJGLP-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438536936 387941117 /nfs/dbraw/zinc/94/11/17/387941117.db2.gz XVBQYKYLFQMMSS-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000423161125 387944180 /nfs/dbraw/zinc/94/41/80/387944180.db2.gz NJBQEDXICIGUPO-MNOVXSKESA-N 2 1 212.337 0.737 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423107955 387945115 /nfs/dbraw/zinc/94/51/15/387945115.db2.gz LTVFHOBPWRFGCA-GRYCIOLGSA-N 2 1 214.353 0.839 20 0 BCADMP c1cn([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299248 387958573 /nfs/dbraw/zinc/95/85/73/387958573.db2.gz DTHREFWWLWHRTA-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP [NH3+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423176000 387962255 /nfs/dbraw/zinc/96/22/55/387962255.db2.gz BLDNHRIPFHREEG-OUAUKWLOSA-N 2 1 210.321 0.882 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])CS(C)(=O)=O ZINC000424334260 387979153 /nfs/dbraw/zinc/97/91/53/387979153.db2.gz NPEVWZIAXAMXLP-GMTAPVOTSA-N 2 1 248.392 0.527 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194369 387980505 /nfs/dbraw/zinc/98/05/05/387980505.db2.gz RIFYWLYSTIMCIR-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424333137 387977024 /nfs/dbraw/zinc/97/70/24/387977024.db2.gz LMNTWVCHDOCFIY-JTQLQIEISA-N 2 1 209.297 0.264 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423210604 387995255 /nfs/dbraw/zinc/99/52/55/387995255.db2.gz KCDOZLWINMHELK-GRYCIOLGSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423210604 387995257 /nfs/dbraw/zinc/99/52/57/387995257.db2.gz KCDOZLWINMHELK-GRYCIOLGSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@H]([C@H](C)O)[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000251038887 135062103 /nfs/dbraw/zinc/06/21/03/135062103.db2.gz KNSWPWURGNGKFY-VWYCJHECSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H]([C@H](C)O)[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000251038887 135062104 /nfs/dbraw/zinc/06/21/04/135062104.db2.gz KNSWPWURGNGKFY-VWYCJHECSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H]([C@H](C)O)[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000251038887 135062106 /nfs/dbraw/zinc/06/21/06/135062106.db2.gz KNSWPWURGNGKFY-VWYCJHECSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H]([NH2+]CCCN1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400511175 387985211 /nfs/dbraw/zinc/98/52/11/387985211.db2.gz FLXCCVAVLKCWPF-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423217919 388000354 /nfs/dbraw/zinc/00/03/54/388000354.db2.gz STSMDFUDXQTYRF-FVCCEPFGSA-N 2 1 223.364 0.811 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423222208 388002766 /nfs/dbraw/zinc/00/27/66/388002766.db2.gz AFMOLAURXMYNRC-HBNTYKKESA-N 2 1 212.337 0.999 20 0 BCADMP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159356822 388009051 /nfs/dbraw/zinc/00/90/51/388009051.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423210018 387996195 /nfs/dbraw/zinc/99/61/95/387996195.db2.gz GVCRQQRUSXLHSE-VXGBXAGGSA-N 2 1 222.336 0.859 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156617022 388011588 /nfs/dbraw/zinc/01/15/88/388011588.db2.gz WEVZKWFKILNGDC-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000446374967 388017212 /nfs/dbraw/zinc/01/72/12/388017212.db2.gz RVEFRBQVHMUWCM-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257056 388019601 /nfs/dbraw/zinc/01/96/01/388019601.db2.gz DZNFTLWTMFCXAN-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423252680 388033287 /nfs/dbraw/zinc/03/32/87/388033287.db2.gz YAPFMJFYFWWYCU-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423252674 388034300 /nfs/dbraw/zinc/03/43/00/388034300.db2.gz YAPFMJFYFWWYCU-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000423262666 388040510 /nfs/dbraw/zinc/04/05/10/388040510.db2.gz NCRRWYYDAUMBJU-IJLUTSLNSA-N 2 1 213.369 0.900 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423244458 388028888 /nfs/dbraw/zinc/02/88/88/388028888.db2.gz XNZPYUYKRNKLMG-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370166 388054976 /nfs/dbraw/zinc/05/49/76/388054976.db2.gz QPNJGTHSBWJSDV-CSYMLDBXSA-N 2 1 212.337 0.828 20 0 BCADMP COC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C(C)C ZINC000423275607 388057295 /nfs/dbraw/zinc/05/72/95/388057295.db2.gz LXSGKXBOVBRVNZ-GHMZBOCLSA-N 2 1 200.326 0.984 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278170 388060514 /nfs/dbraw/zinc/06/05/14/388060514.db2.gz QRDJZFOQJFSKAE-JHJVBQTASA-N 3 1 225.380 0.964 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000083834876 388063430 /nfs/dbraw/zinc/06/34/30/388063430.db2.gz BEESDUURHKSXGU-JTQLQIEISA-N 2 1 223.320 0.174 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000083834876 388063433 /nfs/dbraw/zinc/06/34/33/388063433.db2.gz BEESDUURHKSXGU-JTQLQIEISA-N 2 1 223.320 0.174 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000447442059 388072518 /nfs/dbraw/zinc/07/25/18/388072518.db2.gz QPODDYHWRQXFDR-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP C[C@H]1C[C@H](NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000423287962 388072875 /nfs/dbraw/zinc/07/28/75/388072875.db2.gz PQTKALWLFOISSO-UWVGGRQHSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])CN1C1CC1 ZINC000423287962 388072876 /nfs/dbraw/zinc/07/28/76/388072876.db2.gz PQTKALWLFOISSO-UWVGGRQHSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@@H]1C[C@H](NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000423287964 388073160 /nfs/dbraw/zinc/07/31/60/388073160.db2.gz PQTKALWLFOISSO-ZJUUUORDSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])CN1C1CC1 ZINC000423287964 388073162 /nfs/dbraw/zinc/07/31/62/388073162.db2.gz PQTKALWLFOISSO-ZJUUUORDSA-N 2 1 211.353 0.939 20 0 BCADMP CCC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000336658998 388083336 /nfs/dbraw/zinc/08/33/36/388083336.db2.gz BIYWOYBGZQUMTF-MCIGGMRASA-N 2 1 212.337 0.831 20 0 BCADMP CCC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000336658998 388083337 /nfs/dbraw/zinc/08/33/37/388083337.db2.gz BIYWOYBGZQUMTF-MCIGGMRASA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958579 388086783 /nfs/dbraw/zinc/08/67/83/388086783.db2.gz ASYZRLWXPYEDKB-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958579 388086785 /nfs/dbraw/zinc/08/67/85/388086785.db2.gz ASYZRLWXPYEDKB-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645977069 388112978 /nfs/dbraw/zinc/11/29/78/388112978.db2.gz SMEBZFBEIGLXMP-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423266602 388045955 /nfs/dbraw/zinc/04/59/55/388045955.db2.gz DKPLJLZOLLJIPQ-SRVKXCTJSA-N 2 1 213.369 0.820 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449242267 388160668 /nfs/dbraw/zinc/16/06/68/388160668.db2.gz DZLBVCGJRXAJSM-VWYCJHECSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449242267 388160669 /nfs/dbraw/zinc/16/06/69/388160669.db2.gz DZLBVCGJRXAJSM-VWYCJHECSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000449320542 388172562 /nfs/dbraw/zinc/17/25/62/388172562.db2.gz OERKIQVJZLCBST-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000449322924 388172807 /nfs/dbraw/zinc/17/28/07/388172807.db2.gz ZWXKWCSHLIFUED-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449336547 388175302 /nfs/dbraw/zinc/17/53/02/388175302.db2.gz NZVXZRHBVXOAKE-VXGBXAGGSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000488503325 388183122 /nfs/dbraw/zinc/18/31/22/388183122.db2.gz UKIRAIUTIDFJOQ-GARJFASQSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@H+]1C ZINC000646077539 388138172 /nfs/dbraw/zinc/13/81/72/388138172.db2.gz UASMMDYZHVVVST-VWYCJHECSA-N 2 1 239.363 0.583 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449123266 388145615 /nfs/dbraw/zinc/14/56/15/388145615.db2.gz NNQHZTZQCBNICO-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000449165302 388151794 /nfs/dbraw/zinc/15/17/94/388151794.db2.gz VENJASJSWXUBLV-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661712 388249669 /nfs/dbraw/zinc/24/96/69/388249669.db2.gz CYKRJNZYKLHBPQ-VIFPVBQESA-N 2 1 249.305 0.442 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000449397499 388194377 /nfs/dbraw/zinc/19/43/77/388194377.db2.gz VJVRHOTYINZERA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000488785574 388195186 /nfs/dbraw/zinc/19/51/86/388195186.db2.gz RSRKCZCMETZEQA-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000488785574 388195188 /nfs/dbraw/zinc/19/51/88/388195188.db2.gz RSRKCZCMETZEQA-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000488785574 388195189 /nfs/dbraw/zinc/19/51/89/388195189.db2.gz RSRKCZCMETZEQA-RWMBFGLXSA-N 2 1 224.348 0.906 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449575392 388237125 /nfs/dbraw/zinc/23/71/25/388237125.db2.gz MFRHDZXTSQHAPD-ZYHUDNBSSA-N 2 1 245.342 0.535 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608569 388241279 /nfs/dbraw/zinc/24/12/79/388241279.db2.gz IKABFTBXTUWDAO-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000449611391 388243397 /nfs/dbraw/zinc/24/33/97/388243397.db2.gz VLTXYVVPVMNAKN-OUAUKWLOSA-N 2 1 227.352 0.713 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953486 388269732 /nfs/dbraw/zinc/26/97/32/388269732.db2.gz VUUINCBMAJPNDP-VXGBXAGGSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C/C[NH+](C)C ZINC000492284497 388340447 /nfs/dbraw/zinc/34/04/47/388340447.db2.gz RAHSVDGSTJLTLQ-BYAJROORSA-N 2 1 239.363 0.655 20 0 BCADMP NC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027401 388348442 /nfs/dbraw/zinc/34/84/42/388348442.db2.gz SGHXDISFHXYHKD-UHFFFAOYSA-N 2 1 235.331 0.713 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300366776 388362633 /nfs/dbraw/zinc/36/26/33/388362633.db2.gz GVSGZDGDCZISDY-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300366776 388362635 /nfs/dbraw/zinc/36/26/35/388362635.db2.gz GVSGZDGDCZISDY-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCCC1=O ZINC000572777899 388375201 /nfs/dbraw/zinc/37/52/01/388375201.db2.gz PPFWRDVDPQUPBO-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCCC1=O ZINC000572777899 388375203 /nfs/dbraw/zinc/37/52/03/388375203.db2.gz PPFWRDVDPQUPBO-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557633 388382078 /nfs/dbraw/zinc/38/20/78/388382078.db2.gz BVWQLFONFGBDIL-NSHDSACASA-N 2 1 237.347 0.363 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000646557633 388382080 /nfs/dbraw/zinc/38/20/80/388382080.db2.gz BVWQLFONFGBDIL-NSHDSACASA-N 2 1 237.347 0.363 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000236861514 388384225 /nfs/dbraw/zinc/38/42/25/388384225.db2.gz NZEWVYUTHAMKCO-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236861851 388384340 /nfs/dbraw/zinc/38/43/40/388384340.db2.gz UEXFMSQOLDKMQG-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000646574538 388386411 /nfs/dbraw/zinc/38/64/11/388386411.db2.gz PIAFUHQGIGTYMG-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000300689141 388388250 /nfs/dbraw/zinc/38/82/50/388388250.db2.gz FGDDRODDPRZQON-STQMWFEESA-N 2 1 241.379 0.127 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000237677197 388398513 /nfs/dbraw/zinc/39/85/13/388398513.db2.gz HEAQAZYBATYVOQ-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045259 388448375 /nfs/dbraw/zinc/44/83/75/388448375.db2.gz MXHKVNHBKUZTNN-RYUDHWBXSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336659945 388460094 /nfs/dbraw/zinc/46/00/94/388460094.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336659945 388460095 /nfs/dbraw/zinc/46/00/95/388460095.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336659945 388460097 /nfs/dbraw/zinc/46/00/97/388460097.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H](C)O ZINC000514861406 388460190 /nfs/dbraw/zinc/46/01/90/388460190.db2.gz FQHUSWVSACSWAE-AGIUHOORSA-N 2 1 244.379 0.582 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467898 /nfs/dbraw/zinc/46/78/98/388467898.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467902 /nfs/dbraw/zinc/46/79/02/388467902.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000648837898 388434976 /nfs/dbraw/zinc/43/49/76/388434976.db2.gz JQYZORQVWCSGJQ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000646729190 388438800 /nfs/dbraw/zinc/43/88/00/388438800.db2.gz CYNMAIOTCHDECJ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649286132 388538290 /nfs/dbraw/zinc/53/82/90/388538290.db2.gz WADJQWCBZTZPDX-UTUOFQBUSA-N 2 1 237.347 0.289 20 0 BCADMP Cc1nocc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000339347633 388483125 /nfs/dbraw/zinc/48/31/25/388483125.db2.gz CUZACURKSYPPJQ-NSHDSACASA-N 2 1 225.292 0.139 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646776356 388497509 /nfs/dbraw/zinc/49/75/09/388497509.db2.gz YXSZVKSZFGPGTG-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277106 388500287 /nfs/dbraw/zinc/50/02/87/388500287.db2.gz DDMZDWSIJZVERM-KXNHARMFSA-N 2 1 237.347 0.337 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000516867502 256804749 /nfs/dbraw/zinc/80/47/49/256804749.db2.gz ZZDWMSVKYNLPGV-CHWSQXEVSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000516867502 256804750 /nfs/dbraw/zinc/80/47/50/256804750.db2.gz ZZDWMSVKYNLPGV-CHWSQXEVSA-N 2 1 241.379 0.424 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCCO)C1 ZINC000516876459 388522242 /nfs/dbraw/zinc/52/22/42/388522242.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCCO)C1 ZINC000516876459 388522246 /nfs/dbraw/zinc/52/22/46/388522246.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000516876459 388522248 /nfs/dbraw/zinc/52/22/48/388522248.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000516876459 388522250 /nfs/dbraw/zinc/52/22/50/388522250.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CCCO)C1 ZINC000516876460 388522624 /nfs/dbraw/zinc/52/26/24/388522624.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CCCO)C1 ZINC000516876460 388522625 /nfs/dbraw/zinc/52/26/25/388522625.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000516876460 388522626 /nfs/dbraw/zinc/52/26/26/388522626.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000516876460 388522628 /nfs/dbraw/zinc/52/26/28/388522628.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000564345782 388527871 /nfs/dbraw/zinc/52/78/71/388527871.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000564345782 388527875 /nfs/dbraw/zinc/52/78/75/388527875.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000564345782 388527878 /nfs/dbraw/zinc/52/78/78/388527878.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000549728476 388589890 /nfs/dbraw/zinc/58/98/90/388589890.db2.gz OJSHUXYBITYTGA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000549728476 388589893 /nfs/dbraw/zinc/58/98/93/388589893.db2.gz OJSHUXYBITYTGA-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000517456800 388551038 /nfs/dbraw/zinc/55/10/38/388551038.db2.gz ZZMFRSXOPDJHCX-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000517540382 388551907 /nfs/dbraw/zinc/55/19/07/388551907.db2.gz NGSZYPNUCOSLDU-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000517580724 388554372 /nfs/dbraw/zinc/55/43/72/388554372.db2.gz HPZXOAJXZDUXTG-SFYZADRCSA-N 2 1 235.278 0.085 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC000521062852 388560671 /nfs/dbraw/zinc/56/06/71/388560671.db2.gz BEXCRYJAQXKURC-NSHDSACASA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367602596 388565534 /nfs/dbraw/zinc/56/55/34/388565534.db2.gz UYKFYRWOCVEBEN-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183575998 388570138 /nfs/dbraw/zinc/57/01/38/388570138.db2.gz PQZYHVPJENPPFM-YVECIDJPSA-N 2 1 224.348 0.996 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183575998 388570140 /nfs/dbraw/zinc/57/01/40/388570140.db2.gz PQZYHVPJENPPFM-YVECIDJPSA-N 2 1 224.348 0.996 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217556347 388571475 /nfs/dbraw/zinc/57/14/75/388571475.db2.gz PDGRBLLWCAUFAW-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217556347 388571478 /nfs/dbraw/zinc/57/14/78/388571478.db2.gz PDGRBLLWCAUFAW-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297541 388575826 /nfs/dbraw/zinc/57/58/26/388575826.db2.gz AMWTUIYQRHXHTL-VEGXAWMVSA-N 2 1 249.358 0.480 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000649297712 388576053 /nfs/dbraw/zinc/57/60/53/388576053.db2.gz RZNWDXGPLARDIS-USZNOCQGSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923595 388666318 /nfs/dbraw/zinc/66/63/18/388666318.db2.gz IQDJYAFHEQOWEL-TUAOUCFPSA-N 3 1 211.353 0.846 20 0 BCADMP CO[C@@H]1C[N@@H+](Cc2cnc[nH]2)[C@@](C)(CO)C1 ZINC000630076255 388619015 /nfs/dbraw/zinc/61/90/15/388619015.db2.gz IVHOMPSOKPSVMA-WDEREUQCSA-N 2 1 225.292 0.381 20 0 BCADMP CO[C@@H]1C[N@H+](Cc2c[nH]cn2)[C@@](C)(CO)C1 ZINC000630076255 388619018 /nfs/dbraw/zinc/61/90/18/388619018.db2.gz IVHOMPSOKPSVMA-WDEREUQCSA-N 2 1 225.292 0.381 20 0 BCADMP CCn1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000530208595 388626874 /nfs/dbraw/zinc/62/68/74/388626874.db2.gz IDWJPKNGTUUTDD-ZYHUDNBSSA-N 2 1 237.351 0.905 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530222946 388634107 /nfs/dbraw/zinc/63/41/07/388634107.db2.gz IUIZWDKGAVBJDH-SDDRHHMPSA-N 2 1 227.352 0.082 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530223143 388634466 /nfs/dbraw/zinc/63/44/66/388634466.db2.gz OVCHITABKMLWBW-FDYHWXHSSA-N 2 1 241.379 0.293 20 0 BCADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(F)(F)CC1 ZINC000530231490 388636749 /nfs/dbraw/zinc/63/67/49/388636749.db2.gz ICLFOIVMXQXJQC-VIFPVBQESA-N 2 1 222.279 0.688 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000227077200 388739937 /nfs/dbraw/zinc/73/99/37/388739937.db2.gz ULDUAJMHCCCXMW-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249115044 388709641 /nfs/dbraw/zinc/70/96/41/388709641.db2.gz NTRFOANFQOITMM-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CSC)C1 ZINC000249481432 388723447 /nfs/dbraw/zinc/72/34/47/388723447.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000249481432 388723448 /nfs/dbraw/zinc/72/34/48/388723448.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000249481432 388723450 /nfs/dbraw/zinc/72/34/50/388723450.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1C ZINC000648749989 388800428 /nfs/dbraw/zinc/80/04/28/388800428.db2.gz ZFGGXOILTYQARZ-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](O)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000228037367 388766077 /nfs/dbraw/zinc/76/60/77/388766077.db2.gz JOFBYNPQQGJRCB-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252712088 388773383 /nfs/dbraw/zinc/77/33/83/388773383.db2.gz LKXUAQDDMVDUNY-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712088 388773384 /nfs/dbraw/zinc/77/33/84/388773384.db2.gz LKXUAQDDMVDUNY-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712087 388773440 /nfs/dbraw/zinc/77/34/40/388773440.db2.gz LKXUAQDDMVDUNY-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712087 388773444 /nfs/dbraw/zinc/77/34/44/388773444.db2.gz LKXUAQDDMVDUNY-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CN(C(=O)Cn1ccnc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564643236 388882054 /nfs/dbraw/zinc/88/20/54/388882054.db2.gz MGEUPIPOEFDSIU-GFCCVEGCSA-N 2 1 248.330 0.578 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1C ZINC000152904052 388892044 /nfs/dbraw/zinc/89/20/44/388892044.db2.gz QYKUEFABNLNTPD-LLVKDONJSA-N 2 1 238.335 0.777 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185659 388923298 /nfs/dbraw/zinc/92/32/98/388923298.db2.gz NKXZOUIMVOEZGM-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416613 388943155 /nfs/dbraw/zinc/94/31/55/388943155.db2.gz FKLPHISZRFHDKZ-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000565477414 388947276 /nfs/dbraw/zinc/94/72/76/388947276.db2.gz FIYSOIYFVVDKHB-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000269245511 389008419 /nfs/dbraw/zinc/00/84/19/389008419.db2.gz ULPONYDVAIQRFJ-JTQLQIEISA-N 2 1 224.308 0.435 20 0 BCADMP Cn1cncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271815967 389025923 /nfs/dbraw/zinc/02/59/23/389025923.db2.gz MBIFJFNXVNBHPO-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCO1 ZINC000251325711 533370599 /nfs/dbraw/zinc/37/05/99/533370599.db2.gz OQDMYZADAXSOJT-UPJWGTAASA-N 2 1 240.347 0.618 20 0 BCADMP Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000302669921 132265400 /nfs/dbraw/zinc/26/54/00/132265400.db2.gz DIANVEMMCGHTAS-LBPRGKRZSA-N 2 1 235.331 0.893 20 0 BCADMP Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000302669919 132265485 /nfs/dbraw/zinc/26/54/85/132265485.db2.gz DIANVEMMCGHTAS-GFCCVEGCSA-N 2 1 235.331 0.893 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219243765 133523281 /nfs/dbraw/zinc/52/32/81/133523281.db2.gz CQXZNPXFPSSVGA-QWRGUYRKSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@H](O)C[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000351948808 134015855 /nfs/dbraw/zinc/01/58/55/134015855.db2.gz IPYAQEAJYKQBIN-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000335969173 134029247 /nfs/dbraw/zinc/02/92/47/134029247.db2.gz PJCZFRSFPQLYNB-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335969173 134029248 /nfs/dbraw/zinc/02/92/48/134029248.db2.gz PJCZFRSFPQLYNB-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336212002 134134773 /nfs/dbraw/zinc/13/47/73/134134773.db2.gz BOPIGSDIWFYOOC-ZYANWLCNSA-N 2 1 239.363 0.807 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336212469 134135101 /nfs/dbraw/zinc/13/51/01/134135101.db2.gz ZEPMOWGEPRAPLI-SKDRFNHKSA-N 2 1 245.342 0.520 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000168504972 134225263 /nfs/dbraw/zinc/22/52/63/134225263.db2.gz SEUGNCRJFHNAFQ-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000168504972 134225264 /nfs/dbraw/zinc/22/52/64/134225264.db2.gz SEUGNCRJFHNAFQ-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555825 134248322 /nfs/dbraw/zinc/24/83/22/134248322.db2.gz BGOUGRJEWZWRTF-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555825 134248323 /nfs/dbraw/zinc/24/83/23/134248323.db2.gz BGOUGRJEWZWRTF-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553872 134248591 /nfs/dbraw/zinc/24/85/91/134248591.db2.gz MTQJOCFBGTUAOI-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553872 134248592 /nfs/dbraw/zinc/24/85/92/134248592.db2.gz MTQJOCFBGTUAOI-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC[N@H+]1C ZINC000219307161 134281307 /nfs/dbraw/zinc/28/13/07/134281307.db2.gz ABGZKIXVZNQCBF-CHWSQXEVSA-N 3 1 243.395 0.637 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCN1C ZINC000219307161 134281308 /nfs/dbraw/zinc/28/13/08/134281308.db2.gz ABGZKIXVZNQCBF-CHWSQXEVSA-N 2 1 243.395 0.637 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000220378834 134305868 /nfs/dbraw/zinc/30/58/68/134305868.db2.gz RSJFSDIKQKLAML-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP COCCCOCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000220392432 134306327 /nfs/dbraw/zinc/30/63/27/134306327.db2.gz PUPIMQYYCUTGHN-UHFFFAOYSA-N 2 1 244.379 0.971 20 0 BCADMP c1ncn([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178972422 134313969 /nfs/dbraw/zinc/31/39/69/134313969.db2.gz SXCWDINFOAXOMM-CYBMUJFWSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946739 134315182 /nfs/dbraw/zinc/31/51/82/134315182.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946739 134315183 /nfs/dbraw/zinc/31/51/83/134315183.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946739 134315184 /nfs/dbraw/zinc/31/51/84/134315184.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867292 134315991 /nfs/dbraw/zinc/31/59/91/134315991.db2.gz IRJGTILJGFOWAD-NHCYSSNCSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000222621281 134333705 /nfs/dbraw/zinc/33/37/05/134333705.db2.gz ADWLCCHLPAYYJC-HRDYMLBCSA-N 2 1 240.269 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000222621281 134333706 /nfs/dbraw/zinc/33/37/06/134333706.db2.gz ADWLCCHLPAYYJC-HRDYMLBCSA-N 2 1 240.269 0.839 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222868805 134335190 /nfs/dbraw/zinc/33/51/90/134335190.db2.gz IBTPNMIELGOKPP-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223583789 134340322 /nfs/dbraw/zinc/34/03/22/134340322.db2.gz PAQRGLIFFZRUPY-DCAQKATOSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226314481 134360338 /nfs/dbraw/zinc/36/03/38/134360338.db2.gz MHYKSFJBTOZOCN-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP COC[C@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000227712349 134384733 /nfs/dbraw/zinc/38/47/33/134384733.db2.gz LQWFKBQSXRQCSL-NSHDSACASA-N 2 1 216.325 0.332 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931356 134791060 /nfs/dbraw/zinc/79/10/60/134791060.db2.gz XYQXBOSYACDACO-LLVKDONJSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931326 134792036 /nfs/dbraw/zinc/79/20/36/134792036.db2.gz JDVYZIMSOMSAJR-NSHDSACASA-N 2 1 227.352 0.570 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000163611390 135018930 /nfs/dbraw/zinc/01/89/30/135018930.db2.gz PFLRTCYYAPXDBB-SNVBAGLBSA-N 2 1 247.408 0.523 20 0 BCADMP C[C@H](O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000251038883 135061936 /nfs/dbraw/zinc/06/19/36/135061936.db2.gz KNSWPWURGNGKFY-DCAQKATOSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H](O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000251038883 135061937 /nfs/dbraw/zinc/06/19/37/135061937.db2.gz KNSWPWURGNGKFY-DCAQKATOSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H](O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000251038883 135061938 /nfs/dbraw/zinc/06/19/38/135061938.db2.gz KNSWPWURGNGKFY-DCAQKATOSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251749447 135077098 /nfs/dbraw/zinc/07/70/98/135077098.db2.gz DCIJECMRBAGGJE-VPOLOUISSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251749447 135077100 /nfs/dbraw/zinc/07/71/00/135077100.db2.gz DCIJECMRBAGGJE-VPOLOUISSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251783161 135077946 /nfs/dbraw/zinc/07/79/46/135077946.db2.gz NAUBAUIABXHOLK-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCCO1 ZINC000086435488 135084854 /nfs/dbraw/zinc/08/48/54/135084854.db2.gz XPIIXIOMMGYDFF-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP COC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638106 135091949 /nfs/dbraw/zinc/09/19/49/135091949.db2.gz GGGCNJPNLGZKGL-UHFFFAOYSA-N 2 1 202.298 0.466 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252651589 135093094 /nfs/dbraw/zinc/09/30/94/135093094.db2.gz RYJLOFNCVMQKGF-TUAOUCFPSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252688108 135097192 /nfs/dbraw/zinc/09/71/92/135097192.db2.gz NFEATJYFRUDVGC-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CO)[C@@H](C)C1 ZINC000252708592 135098220 /nfs/dbraw/zinc/09/82/20/135098220.db2.gz AMSMNRKEOMHBLC-SRVKXCTJSA-N 2 1 214.353 0.935 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711708 135099330 /nfs/dbraw/zinc/09/93/30/135099330.db2.gz KJBSCQSYMALURO-HBNTYKKESA-N 2 1 200.326 0.545 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261549312 135108355 /nfs/dbraw/zinc/10/83/55/135108355.db2.gz KJZKDFAWPUMZCG-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252773674 135108343 /nfs/dbraw/zinc/10/83/43/135108343.db2.gz MUFHGGSKWGXNLN-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252773674 135108345 /nfs/dbraw/zinc/10/83/45/135108345.db2.gz MUFHGGSKWGXNLN-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP OCCO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261922941 135113482 /nfs/dbraw/zinc/11/34/82/135113482.db2.gz KRTKKEMFYUMHQX-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196018 135123893 /nfs/dbraw/zinc/12/38/93/135123893.db2.gz SGHOMHGISUMJJO-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCOCC1CC1 ZINC000087399354 135129279 /nfs/dbraw/zinc/12/92/79/135129279.db2.gz KLRFFPRQJRLZJF-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCOCC1CC1 ZINC000087399354 135129281 /nfs/dbraw/zinc/12/92/81/135129281.db2.gz KLRFFPRQJRLZJF-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257680379 135139403 /nfs/dbraw/zinc/13/94/03/135139403.db2.gz KXFGZAMCQQCCHL-LBPRGKRZSA-N 2 1 220.320 0.904 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257680379 135139404 /nfs/dbraw/zinc/13/94/04/135139404.db2.gz KXFGZAMCQQCCHL-LBPRGKRZSA-N 2 1 220.320 0.904 20 0 BCADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000261294432 135150252 /nfs/dbraw/zinc/15/02/52/135150252.db2.gz SUZKZFIPYJKDMC-PWSUYJOCSA-N 2 1 208.305 0.999 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000261529319 135156165 /nfs/dbraw/zinc/15/61/65/135156165.db2.gz AOEJIMFSALFFOE-ZJUUUORDSA-N 2 1 215.341 0.428 20 0 BCADMP OC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000087647770 135161189 /nfs/dbraw/zinc/16/11/89/135161189.db2.gz NXDQNGFKESQANV-GFCCVEGCSA-N 2 1 212.337 0.690 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533451 135165287 /nfs/dbraw/zinc/16/52/87/135165287.db2.gz BAGOVGAEKNFATB-UTUOFQBUSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261535018 135169000 /nfs/dbraw/zinc/16/90/00/135169000.db2.gz VRLOOPGQJUZZKL-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261535018 135169002 /nfs/dbraw/zinc/16/90/02/135169002.db2.gz VRLOOPGQJUZZKL-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000261535474 135169902 /nfs/dbraw/zinc/16/99/02/135169902.db2.gz ZJAGLBAFOSSRIK-CMPLNLGQSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261538575 135176319 /nfs/dbraw/zinc/17/63/19/135176319.db2.gz YPZASNNSXXQWSF-VHSXEESVSA-N 2 1 200.326 0.959 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2C)C1 ZINC000261540507 135179346 /nfs/dbraw/zinc/17/93/46/135179346.db2.gz DZMWIKGMPVLJHM-SNVBAGLBSA-N 2 1 208.309 0.759 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000261540507 135179347 /nfs/dbraw/zinc/17/93/47/135179347.db2.gz DZMWIKGMPVLJHM-SNVBAGLBSA-N 2 1 208.309 0.759 20 0 BCADMP CC[C@@]1(C(=O)N2CC[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000261540344 135179543 /nfs/dbraw/zinc/17/95/43/135179543.db2.gz GFLNBDKCBKUYJD-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@]1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000261540344 135179544 /nfs/dbraw/zinc/17/95/44/135179544.db2.gz GFLNBDKCBKUYJD-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540764 135180027 /nfs/dbraw/zinc/18/00/27/135180027.db2.gz HUYRFCGXIDPIQF-DGCLKSJQSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541095 135181209 /nfs/dbraw/zinc/18/12/09/135181209.db2.gz FNCPZKSOUQIKRX-GHMZBOCLSA-N 2 1 210.321 0.443 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261543523 135184977 /nfs/dbraw/zinc/18/49/77/135184977.db2.gz UBAFHKCJHYXIAS-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261543523 135184978 /nfs/dbraw/zinc/18/49/78/135184978.db2.gz UBAFHKCJHYXIAS-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261544291 135185524 /nfs/dbraw/zinc/18/55/24/135185524.db2.gz DQGICAKZVHHAMY-CHWSQXEVSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261544291 135185525 /nfs/dbraw/zinc/18/55/25/135185525.db2.gz DQGICAKZVHHAMY-CHWSQXEVSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261544294 135185531 /nfs/dbraw/zinc/18/55/31/135185531.db2.gz DQGICAKZVHHAMY-STQMWFEESA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261544294 135185532 /nfs/dbraw/zinc/18/55/32/135185532.db2.gz DQGICAKZVHHAMY-STQMWFEESA-N 2 1 234.347 0.646 20 0 BCADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261549411 135188348 /nfs/dbraw/zinc/18/83/48/135188348.db2.gz OMGVLJHGXJERHT-NSHDSACASA-N 2 1 212.337 0.689 20 0 BCADMP OC[C@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261551388 135190604 /nfs/dbraw/zinc/19/06/04/135190604.db2.gz QMHAUPJGRBOEFF-NSHDSACASA-N 2 1 216.300 0.392 20 0 BCADMP CN(C)c1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261555604 135195365 /nfs/dbraw/zinc/19/53/65/135195365.db2.gz BMLBWDUHISXWKJ-WDEREUQCSA-N 2 1 247.346 0.588 20 0 BCADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261561093 135201611 /nfs/dbraw/zinc/20/16/11/135201611.db2.gz VBWSJBQKMXMJOC-BSCCGWMCSA-N 2 1 236.359 0.687 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261561711 135202603 /nfs/dbraw/zinc/20/26/03/135202603.db2.gz VSBIQOGQMWDDQM-JTQLQIEISA-N 2 1 241.379 0.879 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562726 135204722 /nfs/dbraw/zinc/20/47/22/135204722.db2.gz WNNXSXAFLIEROM-WCQYABFASA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562726 135204723 /nfs/dbraw/zinc/20/47/23/135204723.db2.gz WNNXSXAFLIEROM-WCQYABFASA-N 2 1 241.379 0.914 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564470 135206367 /nfs/dbraw/zinc/20/63/67/135206367.db2.gz CPMCWOGMLSLTQZ-NEPJUHHUSA-N 2 1 220.320 0.567 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564470 135206368 /nfs/dbraw/zinc/20/63/68/135206368.db2.gz CPMCWOGMLSLTQZ-NEPJUHHUSA-N 2 1 220.320 0.567 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564804 135206593 /nfs/dbraw/zinc/20/65/93/135206593.db2.gz CSJGLAMPFNFAMP-LBPRGKRZSA-N 2 1 222.336 0.899 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564804 135206596 /nfs/dbraw/zinc/20/65/96/135206596.db2.gz CSJGLAMPFNFAMP-LBPRGKRZSA-N 2 1 222.336 0.899 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566293 135208306 /nfs/dbraw/zinc/20/83/06/135208306.db2.gz ZBBGFLYOPPZXBJ-LOWVWBTDSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566293 135208308 /nfs/dbraw/zinc/20/83/08/135208308.db2.gz ZBBGFLYOPPZXBJ-LOWVWBTDSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566287 135209002 /nfs/dbraw/zinc/20/90/02/135209002.db2.gz ZBBGFLYOPPZXBJ-DMDPSCGWSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566287 135209004 /nfs/dbraw/zinc/20/90/04/135209004.db2.gz ZBBGFLYOPPZXBJ-DMDPSCGWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261570066 135212274 /nfs/dbraw/zinc/21/22/74/135212274.db2.gz GOELIICOPAXDHI-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP NC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261591771 135233025 /nfs/dbraw/zinc/23/30/25/135233025.db2.gz VPJFDIFFUSVZIA-GFCCVEGCSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261591771 135233028 /nfs/dbraw/zinc/23/30/28/135233028.db2.gz VPJFDIFFUSVZIA-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261591771 135233029 /nfs/dbraw/zinc/23/30/29/135233029.db2.gz VPJFDIFFUSVZIA-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261597525 135237058 /nfs/dbraw/zinc/23/70/58/135237058.db2.gz ZEMRZGKWEQUHJS-GHMZBOCLSA-N 2 1 223.324 0.337 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547164 135239885 /nfs/dbraw/zinc/23/98/85/135239885.db2.gz LYOZCIQPKAIBEK-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCN2CCCC2=O)C1 ZINC000261651230 135242410 /nfs/dbraw/zinc/24/24/10/135242410.db2.gz FCUPBPXKLGWLFW-GFCCVEGCSA-N 2 1 225.336 0.280 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261642532 135242595 /nfs/dbraw/zinc/24/25/95/135242595.db2.gz CGWSXMOQFIEMDM-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261677607 135244892 /nfs/dbraw/zinc/24/48/92/135244892.db2.gz GQBDEYSWKKLFNO-ZYHUDNBSSA-N 2 1 240.347 0.869 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000261677626 135245311 /nfs/dbraw/zinc/24/53/11/135245311.db2.gz GQJXTUWKLFZXNJ-TXEJJXNPSA-N 2 1 226.320 0.086 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689488 135246215 /nfs/dbraw/zinc/24/62/15/135246215.db2.gz AZRYIHQVPLUKSE-LOWVWBTDSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261719310 135247443 /nfs/dbraw/zinc/24/74/43/135247443.db2.gz FBBPYJLETUVEEI-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000261760754 135250863 /nfs/dbraw/zinc/25/08/63/135250863.db2.gz CXYOBFIZMNUUKN-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@H]1c2nncn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261809586 135254400 /nfs/dbraw/zinc/25/44/00/135254400.db2.gz HQBXSVLONCPZBY-JTQLQIEISA-N 2 1 235.335 0.654 20 0 BCADMP C[C@H]1c2nncn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261809586 135254402 /nfs/dbraw/zinc/25/44/02/135254402.db2.gz HQBXSVLONCPZBY-JTQLQIEISA-N 2 1 235.335 0.654 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000261833723 135256035 /nfs/dbraw/zinc/25/60/35/135256035.db2.gz JHDKWKGSUYWVKC-CYBMUJFWSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@@]1(C[N@@H+]2CCCC3(C2)OCCO3)CC[NH2+]C1 ZINC000261872590 135259363 /nfs/dbraw/zinc/25/93/63/135259363.db2.gz PCUPPBHVVRKNSN-GFCCVEGCSA-N 2 1 240.347 0.825 20 0 BCADMP C[C@@]1(C[N@H+]2CCCC3(C2)OCCO3)CC[NH2+]C1 ZINC000261872590 135259365 /nfs/dbraw/zinc/25/93/65/135259365.db2.gz PCUPPBHVVRKNSN-GFCCVEGCSA-N 2 1 240.347 0.825 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925976 135263883 /nfs/dbraw/zinc/26/38/83/135263883.db2.gz CFHWTKRDQSEXFZ-YPMHNXCESA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](OCCO)C2)CC[NH2+]C1 ZINC000261980321 135268839 /nfs/dbraw/zinc/26/88/39/135268839.db2.gz JCHNLJYVEHMOLC-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033510 135274929 /nfs/dbraw/zinc/27/49/29/135274929.db2.gz OHVKHFMMAPPJKV-QWHCGFSZSA-N 2 1 239.363 0.444 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262164978 135283041 /nfs/dbraw/zinc/28/30/41/135283041.db2.gz UBWJBOCBTKRIDZ-NSHDSACASA-N 2 1 234.290 0.954 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262164978 135283042 /nfs/dbraw/zinc/28/30/42/135283042.db2.gz UBWJBOCBTKRIDZ-NSHDSACASA-N 2 1 234.290 0.954 20 0 BCADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262185883 135284774 /nfs/dbraw/zinc/28/47/74/135284774.db2.gz SVSRWUUKHTVIFT-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000342576765 135291929 /nfs/dbraw/zinc/29/19/29/135291929.db2.gz ATINSJXBDMHYNB-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])[C@H](C)C1 ZINC000262375943 135297822 /nfs/dbraw/zinc/29/78/22/135297822.db2.gz MIGYNGXEIVTMSB-UTUOFQBUSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000262384001 135298981 /nfs/dbraw/zinc/29/89/81/135298981.db2.gz NGBPQSCLAKEBHU-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)[C@@H](C)C1 ZINC000262451771 135300247 /nfs/dbraw/zinc/30/02/47/135300247.db2.gz WCRNBTVJZKDERB-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582704 135306874 /nfs/dbraw/zinc/30/68/74/135306874.db2.gz QMJSPNDDDIDYFR-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342655547 135307763 /nfs/dbraw/zinc/30/77/63/135307763.db2.gz QSZCUBOUCMPDCJ-SECBINFHSA-N 2 1 249.305 0.299 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCCOC)C1 ZINC000079469609 135322717 /nfs/dbraw/zinc/32/27/17/135322717.db2.gz HDHOCLKRWBSBPC-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCOC)C1 ZINC000079469609 135322719 /nfs/dbraw/zinc/32/27/19/135322719.db2.gz HDHOCLKRWBSBPC-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCCOC)C1 ZINC000079469609 135322721 /nfs/dbraw/zinc/32/27/21/135322721.db2.gz HDHOCLKRWBSBPC-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCOC)C1 ZINC000079469609 135322723 /nfs/dbraw/zinc/32/27/23/135322723.db2.gz HDHOCLKRWBSBPC-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262923500 135323994 /nfs/dbraw/zinc/32/39/94/135323994.db2.gz ZOIWBRLJZLNQRJ-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342774814 135327162 /nfs/dbraw/zinc/32/71/62/135327162.db2.gz GKEMZZQVCPUREN-QJPTWQEYSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342774816 135327862 /nfs/dbraw/zinc/32/78/62/135327862.db2.gz GKEMZZQVCPUREN-UTUOFQBUSA-N 2 1 241.379 0.641 20 0 BCADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]CC1(F)F ZINC000334409890 135391916 /nfs/dbraw/zinc/39/19/16/135391916.db2.gz KCYJKEOEHJTGSD-BDAKNGLRSA-N 2 1 247.289 0.099 20 0 BCADMP C[C@H](C[NH3+])NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000347649757 136001002 /nfs/dbraw/zinc/00/10/02/136001002.db2.gz JCPVLBNJFQWNRU-LLVKDONJSA-N 2 1 235.331 0.582 20 0 BCADMP C[C@H](C[NH3+])NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000347649757 136001003 /nfs/dbraw/zinc/00/10/03/136001003.db2.gz JCPVLBNJFQWNRU-LLVKDONJSA-N 2 1 235.331 0.582 20 0 BCADMP CC(C)[C@H]1CN(C(=O)N[C@H](C)C[NH3+])CC[N@H+]1C ZINC000335299377 136007823 /nfs/dbraw/zinc/00/78/23/136007823.db2.gz PSTCKMDHBNJSGR-GHMZBOCLSA-N 2 1 242.367 0.315 20 0 BCADMP CNC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335312266 136030050 /nfs/dbraw/zinc/03/00/50/136030050.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335342239 136064869 /nfs/dbraw/zinc/06/48/69/136064869.db2.gz SHGBLGQWULCCAZ-MWLCHTKSSA-N 2 1 231.315 0.002 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335402011 136084960 /nfs/dbraw/zinc/08/49/60/136084960.db2.gz WZNSVXWRGSLFQE-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380579 136087532 /nfs/dbraw/zinc/08/75/32/136087532.db2.gz NKWFGZQEJBCDBM-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335393331 136091877 /nfs/dbraw/zinc/09/18/77/136091877.db2.gz AGMQLXCHAQDDCN-KOLCDFICSA-N 2 1 241.360 0.003 20 0 BCADMP CN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401000 136094070 /nfs/dbraw/zinc/09/40/70/136094070.db2.gz UJEOKYDJHWUZNT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP CN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401000 136094071 /nfs/dbraw/zinc/09/40/71/136094071.db2.gz UJEOKYDJHWUZNT-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257729143 397828320 /nfs/dbraw/zinc/82/83/20/397828320.db2.gz UVOKNFSUSABJTK-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@@H+](C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[NH+](C)C1 ZINC000649539557 397933494 /nfs/dbraw/zinc/93/34/94/397933494.db2.gz ZHYMTDOJCNFXOQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[N@H+](C)C1 ZINC000649539557 397933496 /nfs/dbraw/zinc/93/34/96/397933496.db2.gz ZHYMTDOJCNFXOQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000649539557 397933498 /nfs/dbraw/zinc/93/34/98/397933498.db2.gz ZHYMTDOJCNFXOQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361217 397947883 /nfs/dbraw/zinc/94/78/83/397947883.db2.gz YZKCFKPIIMPVKR-JBLDHEPKSA-N 2 1 237.347 0.195 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000054132941 397903536 /nfs/dbraw/zinc/90/35/36/397903536.db2.gz JJKYUSDBIREPJI-VIFPVBQESA-N 2 1 233.381 0.135 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000054133121 397903567 /nfs/dbraw/zinc/90/35/67/397903567.db2.gz IGUKUUJIKMXMCJ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530980 397922633 /nfs/dbraw/zinc/92/26/33/397922633.db2.gz RXIVFAUMJUTZCI-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530980 397922639 /nfs/dbraw/zinc/92/26/39/397922639.db2.gz RXIVFAUMJUTZCI-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]Cc1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000650229049 397998765 /nfs/dbraw/zinc/99/87/65/397998765.db2.gz NVAZWHBYOXPMHQ-YUMQZZPRSA-N 2 1 208.265 0.731 20 0 BCADMP C[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624629 398005739 /nfs/dbraw/zinc/00/57/39/398005739.db2.gz SJOQDNSMRJCSGU-LLVKDONJSA-N 2 1 242.363 0.194 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953164 398010862 /nfs/dbraw/zinc/01/08/62/398010862.db2.gz FVGXRAPNDJIGBH-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000648122443 398016649 /nfs/dbraw/zinc/01/66/49/398016649.db2.gz YBTXVGVQLGGXRF-DDHJBXDOSA-N 2 1 239.363 0.713 20 0 BCADMP COC[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341742 398043793 /nfs/dbraw/zinc/04/37/93/398043793.db2.gz FXPPIFGYPVPKKG-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP Cn1nccc1CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344708 398043811 /nfs/dbraw/zinc/04/38/11/398043811.db2.gz QCFIUSDOIXPBPM-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1nccc1CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344708 398043814 /nfs/dbraw/zinc/04/38/14/398043814.db2.gz QCFIUSDOIXPBPM-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638189615 398078861 /nfs/dbraw/zinc/07/88/61/398078861.db2.gz DSUUJPJRDGZBCP-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764010 398091263 /nfs/dbraw/zinc/09/12/63/398091263.db2.gz NRIMYKZYZIHRCU-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764010 398091265 /nfs/dbraw/zinc/09/12/65/398091265.db2.gz NRIMYKZYZIHRCU-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000236911216 398117463 /nfs/dbraw/zinc/11/74/63/398117463.db2.gz RUWMINDQTYSSCP-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]C ZINC000647743986 398109651 /nfs/dbraw/zinc/10/96/51/398109651.db2.gz MFLNGIKSOWDLNK-JTQLQIEISA-N 2 1 238.335 0.732 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000572330600 398133727 /nfs/dbraw/zinc/13/37/27/398133727.db2.gz YLSSVYRDZFJLPL-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000572330600 398133732 /nfs/dbraw/zinc/13/37/32/398133732.db2.gz YLSSVYRDZFJLPL-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000572330600 398133735 /nfs/dbraw/zinc/13/37/35/398133735.db2.gz YLSSVYRDZFJLPL-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626436 167051770 /nfs/dbraw/zinc/05/17/70/167051770.db2.gz OHXPZJZEEVYDCJ-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000336715769 173347455 /nfs/dbraw/zinc/34/74/55/173347455.db2.gz VRICVRFFIVPGIJ-NSHDSACASA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000336715769 173347456 /nfs/dbraw/zinc/34/74/56/173347456.db2.gz VRICVRFFIVPGIJ-NSHDSACASA-N 2 1 213.325 0.196 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000336779218 174275235 /nfs/dbraw/zinc/27/52/35/174275235.db2.gz NMYUGFQZYCTTQU-UHFFFAOYSA-N 2 1 230.352 0.581 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827034 167100038 /nfs/dbraw/zinc/10/00/38/167100038.db2.gz ZATRWVYGYVAWSL-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336762270 174383090 /nfs/dbraw/zinc/38/30/90/174383090.db2.gz NNKSVIDSBZJBEK-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336762270 174383092 /nfs/dbraw/zinc/38/30/92/174383092.db2.gz NNKSVIDSBZJBEK-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257685957 487561696 /nfs/dbraw/zinc/56/16/96/487561696.db2.gz KIUXLTNZJTVBRB-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCOC3)CC[N@H+]2C1 ZINC000095015566 487566370 /nfs/dbraw/zinc/56/63/70/487566370.db2.gz JSZXLGPKWCXSBP-TUAOUCFPSA-N 2 1 210.321 0.992 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420004 487574580 /nfs/dbraw/zinc/57/45/80/487574580.db2.gz PXMXVSMIZIAYFH-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420004 487574584 /nfs/dbraw/zinc/57/45/84/487574584.db2.gz PXMXVSMIZIAYFH-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420023 487575573 /nfs/dbraw/zinc/57/55/73/487575573.db2.gz CLADLQMREUIFLX-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420023 487575576 /nfs/dbraw/zinc/57/55/76/487575576.db2.gz CLADLQMREUIFLX-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420020 487575682 /nfs/dbraw/zinc/57/56/82/487575682.db2.gz BLYNGCSNLAQYSU-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420020 487575687 /nfs/dbraw/zinc/57/56/87/487575687.db2.gz BLYNGCSNLAQYSU-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649672 487587853 /nfs/dbraw/zinc/58/78/53/487587853.db2.gz PMBYCKFYZHVNNI-LLVKDONJSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512339 167269610 /nfs/dbraw/zinc/26/96/10/167269610.db2.gz HRDOBUXIRUCKIB-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH2+]C1CC1 ZINC000664719465 487594764 /nfs/dbraw/zinc/59/47/64/487594764.db2.gz TUOVXOOFJDVIAF-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000309000760 487605105 /nfs/dbraw/zinc/60/51/05/487605105.db2.gz LKIDAFNCZGROJT-WDEREUQCSA-N 2 1 218.341 0.000 20 0 BCADMP C[C@@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000674690141 487606648 /nfs/dbraw/zinc/60/66/48/487606648.db2.gz UZLRFSMLJGRFLJ-DCAQKATOSA-N 2 1 239.363 0.678 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662244611 409533691 /nfs/dbraw/zinc/53/36/91/409533691.db2.gz DVXCLIRUSCCRST-VHSXEESVSA-N 2 1 234.290 0.952 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662244611 409533705 /nfs/dbraw/zinc/53/37/05/409533705.db2.gz DVXCLIRUSCCRST-VHSXEESVSA-N 2 1 234.290 0.952 20 0 BCADMP CN1CCC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662247965 409546258 /nfs/dbraw/zinc/54/62/58/409546258.db2.gz PNZWZSOXFBXVBE-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CN1CCC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662247965 409546272 /nfs/dbraw/zinc/54/62/72/409546272.db2.gz PNZWZSOXFBXVBE-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP Cn1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)nn1 ZINC000662310192 409632446 /nfs/dbraw/zinc/63/24/46/409632446.db2.gz HOZBXCZRGXCEBY-LLVKDONJSA-N 2 1 237.351 0.637 20 0 BCADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)nn1 ZINC000662310192 409632451 /nfs/dbraw/zinc/63/24/51/409632451.db2.gz HOZBXCZRGXCEBY-LLVKDONJSA-N 2 1 237.351 0.637 20 0 BCADMP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000662317756 409636546 /nfs/dbraw/zinc/63/65/46/409636546.db2.gz RRUMSSJTRYSIEW-SNVBAGLBSA-N 2 1 228.340 0.023 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662317407 409637031 /nfs/dbraw/zinc/63/70/31/409637031.db2.gz ONEJLOGUTWSGBE-JHJVBQTASA-N 2 1 224.348 0.954 20 0 BCADMP CN1CCC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000662269828 409573750 /nfs/dbraw/zinc/57/37/50/409573750.db2.gz FSOZRSHAAKAXEF-JTQLQIEISA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000662278368 409597293 /nfs/dbraw/zinc/59/72/93/409597293.db2.gz GEFFVPIVVXLGMH-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CC2CC1(C)C2)C1CC1 ZINC000662385223 409690121 /nfs/dbraw/zinc/69/01/21/409690121.db2.gz OBNMSNLCGUDUKA-YXMLORGKSA-N 2 1 224.348 0.926 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CC2CC1(C)C2)C1CC1 ZINC000662385223 409690126 /nfs/dbraw/zinc/69/01/26/409690126.db2.gz OBNMSNLCGUDUKA-YXMLORGKSA-N 2 1 224.348 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385223 409690128 /nfs/dbraw/zinc/69/01/28/409690128.db2.gz OBNMSNLCGUDUKA-YXMLORGKSA-N 2 1 224.348 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385223 409690134 /nfs/dbraw/zinc/69/01/34/409690134.db2.gz OBNMSNLCGUDUKA-YXMLORGKSA-N 2 1 224.348 0.926 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653130925 409846609 /nfs/dbraw/zinc/84/66/09/409846609.db2.gz MMUNNKJOICEVSR-QMMMGPOBSA-N 2 1 235.278 0.086 20 0 BCADMP CC1([NH3+])CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000653132834 409849710 /nfs/dbraw/zinc/84/97/10/409849710.db2.gz DLPXNYJSHHXWGG-UHFFFAOYSA-N 2 1 235.278 0.310 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000653134347 409852384 /nfs/dbraw/zinc/85/23/84/409852384.db2.gz WFFIIUALDOFNGB-DTWKUNHWSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000069839783 409788526 /nfs/dbraw/zinc/78/85/26/409788526.db2.gz AILKYRUDLVTWTG-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497649 409854304 /nfs/dbraw/zinc/85/43/04/409854304.db2.gz VESWHMMNDAMXHF-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000662791900 409923349 /nfs/dbraw/zinc/92/33/49/409923349.db2.gz LASNFIVPWOJOBT-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000662791900 409923359 /nfs/dbraw/zinc/92/33/59/409923359.db2.gz LASNFIVPWOJOBT-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837783 409946865 /nfs/dbraw/zinc/94/68/65/409946865.db2.gz KZICEJBNLOMQAC-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662839125 409947929 /nfs/dbraw/zinc/94/79/29/409947929.db2.gz NHPJQLMRKCFWTQ-LBPRGKRZSA-N 2 1 236.319 0.758 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CC1)C1CC1 ZINC000389572252 410008378 /nfs/dbraw/zinc/00/83/78/410008378.db2.gz BRQOUPSMGBLUGQ-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CC1)C1CC1 ZINC000389572252 410008385 /nfs/dbraw/zinc/00/83/85/410008385.db2.gz BRQOUPSMGBLUGQ-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CC1)C1CC1 ZINC000389572253 410008866 /nfs/dbraw/zinc/00/88/66/410008866.db2.gz BRQOUPSMGBLUGQ-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CC1)C1CC1 ZINC000389572253 410008869 /nfs/dbraw/zinc/00/88/69/410008869.db2.gz BRQOUPSMGBLUGQ-LBPRGKRZSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000653176200 410151435 /nfs/dbraw/zinc/15/14/35/410151435.db2.gz MUVIAPULWFSIKE-UHFFFAOYSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000653175945 410151559 /nfs/dbraw/zinc/15/15/59/410151559.db2.gz GTJNFYSXAAQNDO-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000653175823 410152613 /nfs/dbraw/zinc/15/26/13/410152613.db2.gz BXTGHTSTXLQWBU-NSHDSACASA-N 2 1 229.368 0.675 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000653175929 410152737 /nfs/dbraw/zinc/15/27/37/410152737.db2.gz GBEDCGBDBYBSSF-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C[NH2+]C1CC1 ZINC000653176256 410152802 /nfs/dbraw/zinc/15/28/02/410152802.db2.gz ODJABUFAHUQKGV-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH3+] ZINC000653175937 410153148 /nfs/dbraw/zinc/15/31/48/410153148.db2.gz GODGEKCFCMJHAO-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000309198670 410269532 /nfs/dbraw/zinc/26/95/32/410269532.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000309198670 410269542 /nfs/dbraw/zinc/26/95/42/410269542.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000309198670 410269545 /nfs/dbraw/zinc/26/95/45/410269545.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000309198670 410269553 /nfs/dbraw/zinc/26/95/53/410269553.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707520 410337819 /nfs/dbraw/zinc/33/78/19/410337819.db2.gz HTQHPTFOMOLBMU-XQQFMLRXSA-N 3 1 241.379 0.554 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707521 410337846 /nfs/dbraw/zinc/33/78/46/410337846.db2.gz HTQHPTFOMOLBMU-YNEHKIRRSA-N 3 1 241.379 0.554 20 0 BCADMP C[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713526 410345353 /nfs/dbraw/zinc/34/53/53/410345353.db2.gz VSCDBNFEZDRREY-UHFFFAOYSA-N 3 1 211.353 0.799 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714247 410346687 /nfs/dbraw/zinc/34/66/87/410346687.db2.gz WZCIIPOMJCKCDX-WDEREUQCSA-N 3 1 211.353 0.703 20 0 BCADMP CCO[C@@H]1C[N@H+](Cc2c[nH]nc2C)C[C@H]1C[NH3+] ZINC000650714838 410347064 /nfs/dbraw/zinc/34/70/64/410347064.db2.gz FLAHXWXQMWPCBK-ZYHUDNBSSA-N 2 1 238.335 0.514 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2c[nH]nc2C)C[C@H]1C[NH3+] ZINC000650714838 410347077 /nfs/dbraw/zinc/34/70/77/410347077.db2.gz FLAHXWXQMWPCBK-ZYHUDNBSSA-N 2 1 238.335 0.514 20 0 BCADMP CCO[C@@H]1C[N@H+](CC2(F)CC2)C[C@H]1C[NH3+] ZINC000650714698 410348319 /nfs/dbraw/zinc/34/83/19/410348319.db2.gz ZLFCZCGLCNGSKA-NXEZZACHSA-N 2 1 216.300 0.784 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H]1C[NH3+] ZINC000650714698 410348332 /nfs/dbraw/zinc/34/83/32/410348332.db2.gz ZLFCZCGLCNGSKA-NXEZZACHSA-N 2 1 216.300 0.784 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000650714471 410348608 /nfs/dbraw/zinc/34/86/08/410348608.db2.gz HGZSJFGEKCMQLA-CHWSQXEVSA-N 3 1 241.379 0.282 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)C1CCC1 ZINC000661154908 410306260 /nfs/dbraw/zinc/30/62/60/410306260.db2.gz SASCBGGMSMVWDK-LBPRGKRZSA-N 2 1 223.320 0.942 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070087281 410590443 /nfs/dbraw/zinc/59/04/43/410590443.db2.gz NRWOKLFLOPXGIK-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CCN1C[C@H](C[NH2+]C2CC[NH+](C)CC2)CC1=O ZINC000652004277 410600223 /nfs/dbraw/zinc/60/02/23/410600223.db2.gz IUDGYTXDQJQZFW-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COCCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309257278 410668716 /nfs/dbraw/zinc/66/87/16/410668716.db2.gz OOOJEXLDZLWGNN-GFCCVEGCSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309257278 410668722 /nfs/dbraw/zinc/66/87/22/410668722.db2.gz OOOJEXLDZLWGNN-GFCCVEGCSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309257278 410668728 /nfs/dbraw/zinc/66/87/28/410668728.db2.gz OOOJEXLDZLWGNN-GFCCVEGCSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309257278 410668732 /nfs/dbraw/zinc/66/87/32/410668732.db2.gz OOOJEXLDZLWGNN-GFCCVEGCSA-N 2 1 232.368 0.656 20 0 BCADMP C[C@H]([NH3+])CNc1cc(NCC2CC2)[nH+]cn1 ZINC000643036130 410743621 /nfs/dbraw/zinc/74/36/21/410743621.db2.gz MYJLOPPZQPJKNV-QMMMGPOBSA-N 2 1 221.308 1.058 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665296010 410802420 /nfs/dbraw/zinc/80/24/20/410802420.db2.gz LOPVFVJKXHEIOW-SRVKXCTJSA-N 2 1 211.353 0.811 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673667 410885568 /nfs/dbraw/zinc/88/55/68/410885568.db2.gz ASYUBAGSSHUXMH-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040673743 410886653 /nfs/dbraw/zinc/88/66/53/410886653.db2.gz JZSKLHSVANDEKC-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040673714 410886614 /nfs/dbraw/zinc/88/66/14/410886614.db2.gz SWQTYONBQKQWSB-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040673713 410884769 /nfs/dbraw/zinc/88/47/69/410884769.db2.gz SWQTYONBQKQWSB-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000044799483 167394922 /nfs/dbraw/zinc/39/49/22/167394922.db2.gz MFKRILFOYIMUGW-LLVKDONJSA-N 2 1 227.352 0.381 20 0 BCADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000652025225 411081505 /nfs/dbraw/zinc/08/15/05/411081505.db2.gz WTEHPTSLSAXHIF-GRYCIOLGSA-N 2 1 230.327 0.923 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538987 411137487 /nfs/dbraw/zinc/13/74/87/411137487.db2.gz WRYCAMYTUFDAMG-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CC(=O)N1CCC[NH2+]CC1)CC(C)(C)C ZINC000045074029 411144091 /nfs/dbraw/zinc/14/40/91/411144091.db2.gz JJGLTYBZFAJPIG-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CN(CCC[NH3+])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000045068693 411144096 /nfs/dbraw/zinc/14/40/96/411144096.db2.gz ATQRUHZIKYWMDC-UHFFFAOYSA-N 2 1 229.368 0.772 20 0 BCADMP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400910197 411163839 /nfs/dbraw/zinc/16/38/39/411163839.db2.gz BEILLCFCZPTBOV-QJPTWQEYSA-N 2 1 249.362 0.633 20 0 BCADMP Cc1nnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000400910197 411163842 /nfs/dbraw/zinc/16/38/42/411163842.db2.gz BEILLCFCZPTBOV-QJPTWQEYSA-N 2 1 249.362 0.633 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000651939013 411154210 /nfs/dbraw/zinc/15/42/10/411154210.db2.gz PYFFDJVBLFUJSZ-NNYUYHANSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000651939015 411154464 /nfs/dbraw/zinc/15/44/64/411154464.db2.gz PYFFDJVBLFUJSZ-WYUUTHIRSA-N 2 1 239.363 0.570 20 0 BCADMP COC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659989748 411158829 /nfs/dbraw/zinc/15/88/29/411158829.db2.gz SGNCOTIWOFHRRU-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659989748 411158834 /nfs/dbraw/zinc/15/88/34/411158834.db2.gz SGNCOTIWOFHRRU-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000659989748 411158837 /nfs/dbraw/zinc/15/88/37/411158837.db2.gz SGNCOTIWOFHRRU-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659989748 411158841 /nfs/dbraw/zinc/15/88/41/411158841.db2.gz SGNCOTIWOFHRRU-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978303 411159773 /nfs/dbraw/zinc/15/97/73/411159773.db2.gz PRECWGIKYQKSBE-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652039406 411090925 /nfs/dbraw/zinc/09/09/25/411090925.db2.gz FCKDUZDXOMGIIS-CYBMUJFWSA-N 2 1 242.363 0.602 20 0 BCADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000652151697 411161966 /nfs/dbraw/zinc/16/19/66/411161966.db2.gz ZYGHGHDYPXBAQC-NEPJUHHUSA-N 2 1 246.395 0.950 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475018 411169772 /nfs/dbraw/zinc/16/97/72/411169772.db2.gz OZCXQRWBAXDSQT-ZJUUUORDSA-N 2 1 200.326 0.593 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401968727 411170773 /nfs/dbraw/zinc/17/07/73/411170773.db2.gz ITEBPYMQMPMSNV-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401968727 411170776 /nfs/dbraw/zinc/17/07/76/411170776.db2.gz ITEBPYMQMPMSNV-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401968727 411170780 /nfs/dbraw/zinc/17/07/80/411170780.db2.gz ITEBPYMQMPMSNV-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401968727 411170783 /nfs/dbraw/zinc/17/07/83/411170783.db2.gz ITEBPYMQMPMSNV-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405464382 411172247 /nfs/dbraw/zinc/17/22/47/411172247.db2.gz ZKMNGVSEAASAEN-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405464379 411172844 /nfs/dbraw/zinc/17/28/44/411172844.db2.gz ZKMNGVSEAASAEN-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826642 411181605 /nfs/dbraw/zinc/18/16/05/411181605.db2.gz OSNLQZZTFUSOBZ-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826644 411181634 /nfs/dbraw/zinc/18/16/34/411181634.db2.gz OSNLQZZTFUSOBZ-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000123693009 411182335 /nfs/dbraw/zinc/18/23/35/411182335.db2.gz YHLSEWOWTHGEAL-JQWIXIFHSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000123693009 411182336 /nfs/dbraw/zinc/18/23/36/411182336.db2.gz YHLSEWOWTHGEAL-JQWIXIFHSA-N 2 1 241.379 0.959 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC1 ZINC000657973708 411184537 /nfs/dbraw/zinc/18/45/37/411184537.db2.gz HNOTXTODYDCPNL-RYUDHWBXSA-N 2 1 242.363 0.600 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000657973708 411184540 /nfs/dbraw/zinc/18/45/40/411184540.db2.gz HNOTXTODYDCPNL-RYUDHWBXSA-N 2 1 242.363 0.600 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612126 411185465 /nfs/dbraw/zinc/18/54/65/411185465.db2.gz MWAPJSTYLWJNAH-GFCCVEGCSA-N 3 1 211.353 0.657 20 0 BCADMP C[N@@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000062010158 411186317 /nfs/dbraw/zinc/18/63/17/411186317.db2.gz PGSBJKDAAWVAMU-JTQLQIEISA-N 2 1 225.336 0.339 20 0 BCADMP CCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405380580 411187729 /nfs/dbraw/zinc/18/77/29/411187729.db2.gz NKRQAWMZGICFSF-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757586 411188971 /nfs/dbraw/zinc/18/89/71/411188971.db2.gz JGVJRUIIHRIBGE-YPMHNXCESA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000393252392 411194149 /nfs/dbraw/zinc/19/41/49/411194149.db2.gz DRIUKSLEHTWQRN-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)CC[N@@H+]1C ZINC000652304335 411194588 /nfs/dbraw/zinc/19/45/88/411194588.db2.gz KDTDZBHGVIFDJI-VWYCJHECSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)CC[N@H+]1C ZINC000652304335 411194591 /nfs/dbraw/zinc/19/45/91/411194591.db2.gz KDTDZBHGVIFDJI-VWYCJHECSA-N 2 1 218.316 0.779 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656192679 411198342 /nfs/dbraw/zinc/19/83/42/411198342.db2.gz SUICMGKFTOFMRM-BJDJZHNGSA-N 3 1 211.353 0.973 20 0 BCADMP CCO[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652337231 411204234 /nfs/dbraw/zinc/20/42/34/411204234.db2.gz XIBLINHYYBRCLO-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000652341827 411205507 /nfs/dbraw/zinc/20/55/07/411205507.db2.gz XZFZWYVQWRIHNN-KGLIPLIRSA-N 2 1 249.358 0.841 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000656201392 411206126 /nfs/dbraw/zinc/20/61/26/411206126.db2.gz WUJBTCVBWNYAIL-WHOHXGKFSA-N 2 1 211.353 0.796 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000656201394 411206298 /nfs/dbraw/zinc/20/62/98/411206298.db2.gz WUJBTCVBWNYAIL-WRWGMCAJSA-N 2 1 211.353 0.796 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658055750 411222898 /nfs/dbraw/zinc/22/28/98/411222898.db2.gz VNJITCUUZPRGLQ-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659295451 411225551 /nfs/dbraw/zinc/22/55/51/411225551.db2.gz SEAKIFXZRRYEFA-GFCCVEGCSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]CCCn1cc(C[NH+]2CCCCC2)nn1 ZINC000656435782 411247124 /nfs/dbraw/zinc/24/71/24/411247124.db2.gz ILORYTIKUFGPGM-UHFFFAOYSA-N 2 1 223.324 0.613 20 0 BCADMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]n1 ZINC000400958370 411166402 /nfs/dbraw/zinc/16/64/02/411166402.db2.gz IAQDIEQPOWKAHX-GARJFASQSA-N 2 1 220.320 0.887 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402599002 411269927 /nfs/dbraw/zinc/26/99/27/411269927.db2.gz PXEXRGSVTMMLCT-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000659642184 411277424 /nfs/dbraw/zinc/27/74/24/411277424.db2.gz JTASSOOJHGNRTL-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP CCCc1[nH+]ccn1C[C@@H]1C[NH2+]CCO1 ZINC000070649675 411283083 /nfs/dbraw/zinc/28/30/83/411283083.db2.gz WDYIFFHHXLAKTD-JTQLQIEISA-N 2 1 209.293 0.824 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889764 411284444 /nfs/dbraw/zinc/28/44/44/411284444.db2.gz LVUJZYXEWSRXGL-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP NC(=O)C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000051889781 411284649 /nfs/dbraw/zinc/28/46/49/411284649.db2.gz NDDBNNUFNWUHBP-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000051889781 411284651 /nfs/dbraw/zinc/28/46/51/411284651.db2.gz NDDBNNUFNWUHBP-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655720268 411288606 /nfs/dbraw/zinc/28/86/06/411288606.db2.gz RPHTXWSPWQCSHA-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](CCNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996774 411256741 /nfs/dbraw/zinc/25/67/41/411256741.db2.gz VKFCPLRAPFPETG-CYBMUJFWSA-N 2 1 241.379 0.127 20 0 BCADMP [NH3+][C@H](c1cn(-c2cc[nH+]cc2)nn1)[C@H]1CCCO1 ZINC000656440779 411258943 /nfs/dbraw/zinc/25/89/43/411258943.db2.gz NJRMFKHZVRSSKI-VXGBXAGGSA-N 2 1 245.286 0.841 20 0 BCADMP CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440707 411259135 /nfs/dbraw/zinc/25/91/35/411259135.db2.gz LUCTUBOUCQFDAG-UHFFFAOYSA-N 2 1 203.249 0.772 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000659325553 411353979 /nfs/dbraw/zinc/35/39/79/411353979.db2.gz UUUWFAHKVKYFJB-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])[C@@H](CC)CO1 ZINC000403791898 411359967 /nfs/dbraw/zinc/35/99/67/411359967.db2.gz IQCQJDOTOHGTAF-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787586 411365486 /nfs/dbraw/zinc/36/54/86/411365486.db2.gz NXTLPRKJSIMVDP-QWHCGFSZSA-N 2 1 249.362 0.600 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656790971 411370265 /nfs/dbraw/zinc/37/02/65/411370265.db2.gz CGXWJBMYLJETTH-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000656790761 411370521 /nfs/dbraw/zinc/37/05/21/411370521.db2.gz NXBOXDCGIFCSRM-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000656790761 411370522 /nfs/dbraw/zinc/37/05/22/411370522.db2.gz NXBOXDCGIFCSRM-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2COCCO2)CC[NH2+]1 ZINC000656790585 411370685 /nfs/dbraw/zinc/37/06/85/411370685.db2.gz BSEVCROAIRLBNZ-JHJVBQTASA-N 2 1 242.363 0.722 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000656791353 411370972 /nfs/dbraw/zinc/37/09/72/411370972.db2.gz ZHEPGLWVRUUHJB-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000656791348 411371273 /nfs/dbraw/zinc/37/12/73/411371273.db2.gz ZHEPGLWVRUUHJB-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404274340 411387342 /nfs/dbraw/zinc/38/73/42/411387342.db2.gz AGDRLJLLPLQPKX-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404274340 411387346 /nfs/dbraw/zinc/38/73/46/411387346.db2.gz AGDRLJLLPLQPKX-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131464678 168290451 /nfs/dbraw/zinc/29/04/51/168290451.db2.gz LREBMKWKTPISTH-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131464678 168290454 /nfs/dbraw/zinc/29/04/54/168290454.db2.gz LREBMKWKTPISTH-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633494 411458330 /nfs/dbraw/zinc/45/83/30/411458330.db2.gz NELZYSRNZMGSOM-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CCC[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309448639 411397140 /nfs/dbraw/zinc/39/71/40/411397140.db2.gz PODQJRVBRIVXIQ-NEPJUHHUSA-N 2 1 230.352 0.192 20 0 BCADMP CCC[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309448639 411397141 /nfs/dbraw/zinc/39/71/41/411397141.db2.gz PODQJRVBRIVXIQ-NEPJUHHUSA-N 2 1 230.352 0.192 20 0 BCADMP C[NH2+]CC1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000653049477 411403203 /nfs/dbraw/zinc/40/32/03/411403203.db2.gz NFZPWWQAEUWQFF-UHFFFAOYSA-N 2 1 249.305 0.429 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047716 411404077 /nfs/dbraw/zinc/40/40/77/411404077.db2.gz NBQUOSGDGCJOKS-MRVPVSSYSA-N 2 1 235.278 0.181 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+] ZINC000653052002 411405140 /nfs/dbraw/zinc/40/51/40/411405140.db2.gz QUFXPOPITMNVBI-ZETCQYMHSA-N 2 1 223.267 0.070 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659449091 411416501 /nfs/dbraw/zinc/41/65/01/411416501.db2.gz QFMJAFIUNRMPPH-QWRGUYRKSA-N 2 1 244.383 0.624 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659462740 411418393 /nfs/dbraw/zinc/41/83/93/411418393.db2.gz GSGWBMAZTACTHC-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP C[C@@H]1CCC[N@H+](Cc2cnnn2C)[C@@H]1CC[NH3+] ZINC000405245188 411420971 /nfs/dbraw/zinc/42/09/71/411420971.db2.gz ZIBQQHOHGXTPMG-ZYHUDNBSSA-N 2 1 237.351 0.764 20 0 BCADMP C[C@@H]1CCC[N@@H+](Cc2cnnn2C)[C@@H]1CC[NH3+] ZINC000405245188 411420975 /nfs/dbraw/zinc/42/09/75/411420975.db2.gz ZIBQQHOHGXTPMG-ZYHUDNBSSA-N 2 1 237.351 0.764 20 0 BCADMP CCOC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653563978 411422564 /nfs/dbraw/zinc/42/25/64/411422564.db2.gz KKDVHXFNZQYSFE-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653563978 411422565 /nfs/dbraw/zinc/42/25/65/411422565.db2.gz KKDVHXFNZQYSFE-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653563978 411422567 /nfs/dbraw/zinc/42/25/67/411422567.db2.gz KKDVHXFNZQYSFE-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653563978 411422569 /nfs/dbraw/zinc/42/25/69/411422569.db2.gz KKDVHXFNZQYSFE-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000659508302 411424024 /nfs/dbraw/zinc/42/40/24/411424024.db2.gz UGAATOCTRPKHBA-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405319660 411425431 /nfs/dbraw/zinc/42/54/31/411425431.db2.gz YMHVFJLAIZRFGQ-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525418 411428123 /nfs/dbraw/zinc/42/81/23/411428123.db2.gz GEAQCFRXBCFXTK-QWRGUYRKSA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659531867 411429834 /nfs/dbraw/zinc/42/98/34/411429834.db2.gz FBJMMYIZWQMCQP-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000405509341 411432448 /nfs/dbraw/zinc/43/24/48/411432448.db2.gz FHEJPKIPAKMQFO-VXGBXAGGSA-N 2 1 238.335 0.179 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609728 411441181 /nfs/dbraw/zinc/44/11/81/411441181.db2.gz LDGYRRLVVPXSAV-QWRGUYRKSA-N 2 1 242.367 0.378 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608998 411441614 /nfs/dbraw/zinc/44/16/14/411441614.db2.gz HSZKODUVOISPFF-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659636425 411445130 /nfs/dbraw/zinc/44/51/30/411445130.db2.gz LJGASDDBXQNYOR-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@H+](CCc3cn[nH]n3)C2)n1 ZINC000660078249 411534351 /nfs/dbraw/zinc/53/43/51/411534351.db2.gz SLOMUVPIDFLLEG-SNVBAGLBSA-N 2 1 246.318 0.950 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@@H+](CCc3c[nH]nn3)C2)n1 ZINC000660078249 411534354 /nfs/dbraw/zinc/53/43/54/411534354.db2.gz SLOMUVPIDFLLEG-SNVBAGLBSA-N 2 1 246.318 0.950 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000659991716 411520667 /nfs/dbraw/zinc/52/06/67/411520667.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000659991716 411520670 /nfs/dbraw/zinc/52/06/70/411520670.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000659991716 411520674 /nfs/dbraw/zinc/52/06/74/411520674.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000659991716 411520676 /nfs/dbraw/zinc/52/06/76/411520676.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 2 1 244.379 0.390 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527356 /nfs/dbraw/zinc/52/73/56/411527356.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527357 /nfs/dbraw/zinc/52/73/57/411527357.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527359 /nfs/dbraw/zinc/52/73/59/411527359.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527361 /nfs/dbraw/zinc/52/73/61/411527361.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527362 /nfs/dbraw/zinc/52/73/62/411527362.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527364 /nfs/dbraw/zinc/52/73/64/411527364.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527366 /nfs/dbraw/zinc/52/73/66/411527366.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 1 249.362 0.763 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751812 170006359 /nfs/dbraw/zinc/00/63/59/170006359.db2.gz RGGQBBXYVFEMTB-JTQLQIEISA-N 2 1 227.352 0.429 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987102 170007399 /nfs/dbraw/zinc/00/73/99/170007399.db2.gz YUDCNVBFXCZKNR-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000037484303 170008467 /nfs/dbraw/zinc/00/84/67/170008467.db2.gz CKVPPVNLKDVPNN-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000037484303 170008468 /nfs/dbraw/zinc/00/84/68/170008468.db2.gz CKVPPVNLKDVPNN-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210332 170009521 /nfs/dbraw/zinc/00/95/21/170009521.db2.gz SJSDPWWKIKVJNN-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210332 170009522 /nfs/dbraw/zinc/00/95/22/170009522.db2.gz SJSDPWWKIKVJNN-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009761 /nfs/dbraw/zinc/00/97/61/170009761.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009763 /nfs/dbraw/zinc/00/97/63/170009763.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009764 /nfs/dbraw/zinc/00/97/64/170009764.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 3 1 243.395 0.624 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009766 /nfs/dbraw/zinc/00/97/66/170009766.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 1 243.395 0.624 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009768 /nfs/dbraw/zinc/00/97/68/170009768.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 1 243.395 0.624 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000250250084 170015351 /nfs/dbraw/zinc/01/53/51/170015351.db2.gz ILDMHQHVUANJFM-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037643499 170015373 /nfs/dbraw/zinc/01/53/73/170015373.db2.gz ZNXXXKVSVSBHRC-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310390154 170015604 /nfs/dbraw/zinc/01/56/04/170015604.db2.gz RKFWHDXNGZKLHX-BDAKNGLRSA-N 2 1 249.305 0.427 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000362374777 170016368 /nfs/dbraw/zinc/01/63/68/170016368.db2.gz DEUNVUJSRBTOTE-NEPJUHHUSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019838 /nfs/dbraw/zinc/01/98/38/170019838.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 2 1 213.369 0.997 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCO)C[C@H]1C ZINC000336670377 170019986 /nfs/dbraw/zinc/01/99/86/170019986.db2.gz GJAIFTYDOFSICW-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCO)C[C@H]1C ZINC000336670377 170019988 /nfs/dbraw/zinc/01/99/88/170019988.db2.gz GJAIFTYDOFSICW-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO)C[C@H]1C ZINC000336670377 170019989 /nfs/dbraw/zinc/01/99/89/170019989.db2.gz GJAIFTYDOFSICW-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](C)C1 ZINC000309969972 170022197 /nfs/dbraw/zinc/02/21/97/170022197.db2.gz OYHNLUMXCLMYAK-DCAQKATOSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](C)C1 ZINC000309969972 170022198 /nfs/dbraw/zinc/02/21/98/170022198.db2.gz OYHNLUMXCLMYAK-DCAQKATOSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CN(C)CCO2)C1 ZINC000358139057 170038371 /nfs/dbraw/zinc/03/83/71/170038371.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 1 241.379 0.247 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CN(C)CCO2)C1 ZINC000358139057 170038372 /nfs/dbraw/zinc/03/83/72/170038372.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 1 241.379 0.247 20 0 BCADMP CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309543252 170061110 /nfs/dbraw/zinc/06/11/10/170061110.db2.gz YVPMPQCQPMEPGC-PHIMTYICSA-N 2 1 225.336 0.054 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000660281729 411565087 /nfs/dbraw/zinc/56/50/87/411565087.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000660281729 411565089 /nfs/dbraw/zinc/56/50/89/411565089.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000660281729 411565090 /nfs/dbraw/zinc/56/50/90/411565090.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000660281729 411565092 /nfs/dbraw/zinc/56/50/92/411565092.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660333149 411570754 /nfs/dbraw/zinc/57/07/54/411570754.db2.gz GCMMRDWCTFJOLE-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660333149 411570755 /nfs/dbraw/zinc/57/07/55/411570755.db2.gz GCMMRDWCTFJOLE-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660333149 411570756 /nfs/dbraw/zinc/57/07/56/411570756.db2.gz GCMMRDWCTFJOLE-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660333149 411570757 /nfs/dbraw/zinc/57/07/57/411570757.db2.gz GCMMRDWCTFJOLE-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)CC1(CO)CC1 ZINC000660374916 411574955 /nfs/dbraw/zinc/57/49/55/411574955.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000660374916 411574957 /nfs/dbraw/zinc/57/49/57/411574957.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000660374916 411574958 /nfs/dbraw/zinc/57/49/58/411574958.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000660374916 411574960 /nfs/dbraw/zinc/57/49/60/411574960.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000660374916 411574962 /nfs/dbraw/zinc/57/49/62/411574962.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 1 244.379 0.392 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660799418 411638172 /nfs/dbraw/zinc/63/81/72/411638172.db2.gz FSYWEHFYHUNJKF-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000657704257 411583763 /nfs/dbraw/zinc/58/37/63/411583763.db2.gz RJVLNNVHNJUTQK-RYUDHWBXSA-N 2 1 224.348 0.974 20 0 BCADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217968932 411594540 /nfs/dbraw/zinc/59/45/40/411594540.db2.gz AMSVQVULNZWMNH-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000217968932 411594541 /nfs/dbraw/zinc/59/45/41/411594541.db2.gz AMSVQVULNZWMNH-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657836818 411609344 /nfs/dbraw/zinc/60/93/44/411609344.db2.gz BXXSPZSCPJPNRN-AGIUHOORSA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657836818 411609346 /nfs/dbraw/zinc/60/93/46/411609346.db2.gz BXXSPZSCPJPNRN-AGIUHOORSA-N 2 1 249.362 0.883 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657842084 411610375 /nfs/dbraw/zinc/61/03/75/411610375.db2.gz TUWHFBAHOBWZOI-VXGBXAGGSA-N 2 1 237.351 0.598 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)CO ZINC000660658827 411613671 /nfs/dbraw/zinc/61/36/71/411613671.db2.gz USHNLWFNYHTIHM-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)CO ZINC000660658827 411613672 /nfs/dbraw/zinc/61/36/72/411613672.db2.gz USHNLWFNYHTIHM-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)CO ZINC000660658827 411613673 /nfs/dbraw/zinc/61/36/73/411613673.db2.gz USHNLWFNYHTIHM-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)CO ZINC000660658827 411613674 /nfs/dbraw/zinc/61/36/74/411613674.db2.gz USHNLWFNYHTIHM-RYUDHWBXSA-N 2 1 232.368 0.390 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659375 411614038 /nfs/dbraw/zinc/61/40/38/411614038.db2.gz ORVPHAGNRNXCMI-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659375 411614039 /nfs/dbraw/zinc/61/40/39/411614039.db2.gz ORVPHAGNRNXCMI-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659375 411614041 /nfs/dbraw/zinc/61/40/41/411614041.db2.gz ORVPHAGNRNXCMI-QWHCGFSZSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000133322013 411710487 /nfs/dbraw/zinc/71/04/87/411710487.db2.gz VRRODTWGYCOIST-PWSUYJOCSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000133322013 411710491 /nfs/dbraw/zinc/71/04/91/411710491.db2.gz VRRODTWGYCOIST-PWSUYJOCSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CCC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000133218754 411657065 /nfs/dbraw/zinc/65/70/65/411657065.db2.gz ITIGKYBRGYEQJA-UHFFFAOYSA-N 2 1 221.304 0.566 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000133218754 411657070 /nfs/dbraw/zinc/65/70/70/411657070.db2.gz ITIGKYBRGYEQJA-UHFFFAOYSA-N 2 1 221.304 0.566 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000660920168 411673244 /nfs/dbraw/zinc/67/32/44/411673244.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CCO ZINC000660920168 411673248 /nfs/dbraw/zinc/67/32/48/411673248.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000660920168 411673253 /nfs/dbraw/zinc/67/32/53/411673253.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000660920168 411673255 /nfs/dbraw/zinc/67/32/55/411673255.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497984 411678916 /nfs/dbraw/zinc/67/89/16/411678916.db2.gz LYEPFVPTGXUIKH-VOMCLLRMSA-N 2 1 220.320 0.613 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506115 411687746 /nfs/dbraw/zinc/68/77/46/411687746.db2.gz QAQXCQQVGGFYBU-IRCOFANPSA-N 2 1 229.343 0.746 20 0 BCADMP Cc1ccc(NCCC[NH2+][C@H](C)[C@H](C)O)[nH+]c1 ZINC000567684588 411689606 /nfs/dbraw/zinc/68/96/06/411689606.db2.gz MIXDLIKRDZNLME-NEPJUHHUSA-N 2 1 237.347 1.551 20 0 BCADMP CC[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000422885510 411730377 /nfs/dbraw/zinc/73/03/77/411730377.db2.gz GVZKPNHJLIGKFM-NEPJUHHUSA-N 2 1 249.362 1.009 20 0 BCADMP CC[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000422885511 411752438 /nfs/dbraw/zinc/75/24/38/411752438.db2.gz GVZKPNHJLIGKFM-RYUDHWBXSA-N 2 1 249.362 1.009 20 0 BCADMP CC[C@H](O)C[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000567377912 411753173 /nfs/dbraw/zinc/75/31/73/411753173.db2.gz ILOLGTFSUYCBFR-LBPRGKRZSA-N 2 1 237.347 1.553 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CCC(=O)N(C)CC1 ZINC000661806534 411888171 /nfs/dbraw/zinc/88/81/71/411888171.db2.gz KJAPCOAHXOZEFA-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806534 411888175 /nfs/dbraw/zinc/88/81/75/411888175.db2.gz KJAPCOAHXOZEFA-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647493399 411901083 /nfs/dbraw/zinc/90/10/83/411901083.db2.gz LSZWGUGUWUSRKC-NSHDSACASA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647493399 411901088 /nfs/dbraw/zinc/90/10/88/411901088.db2.gz LSZWGUGUWUSRKC-NSHDSACASA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000564988157 411902337 /nfs/dbraw/zinc/90/23/37/411902337.db2.gz SYKTUPOJULSDDU-LBPRGKRZSA-N 2 1 234.347 1.095 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000564988157 411902339 /nfs/dbraw/zinc/90/23/39/411902339.db2.gz SYKTUPOJULSDDU-LBPRGKRZSA-N 2 1 234.347 1.095 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853527 411902746 /nfs/dbraw/zinc/90/27/46/411902746.db2.gz UFCHJNLYUSLZIJ-AGIUHOORSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000564989878 411908572 /nfs/dbraw/zinc/90/85/72/411908572.db2.gz XSSHXCUUFCFUNR-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000564989878 411908578 /nfs/dbraw/zinc/90/85/78/411908578.db2.gz XSSHXCUUFCFUNR-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(CO)C1 ZINC000661948262 411918556 /nfs/dbraw/zinc/91/85/56/411918556.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC(CO)(CO)C1 ZINC000661948262 411918557 /nfs/dbraw/zinc/91/85/57/411918557.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC(CO)(CO)C1 ZINC000661948262 411918561 /nfs/dbraw/zinc/91/85/61/411918561.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000129446626 170820209 /nfs/dbraw/zinc/82/02/09/170820209.db2.gz FPBUOCAIEIRTBW-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000420407254 411928026 /nfs/dbraw/zinc/92/80/26/411928026.db2.gz OHYBCOGDFGEDGZ-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N)nc1 ZINC000647508959 411930593 /nfs/dbraw/zinc/93/05/93/411930593.db2.gz BVUMAJGZZXJTAX-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153147 412008497 /nfs/dbraw/zinc/00/84/97/412008497.db2.gz OIGQVLOKSKXICT-YPMHNXCESA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153147 412008499 /nfs/dbraw/zinc/00/84/99/412008499.db2.gz OIGQVLOKSKXICT-YPMHNXCESA-N 2 1 242.363 0.146 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000664718681 412014479 /nfs/dbraw/zinc/01/44/79/412014479.db2.gz AETAUFGHPBELPK-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CC ZINC000664719059 412014670 /nfs/dbraw/zinc/01/46/70/412014670.db2.gz LTVRJHYAIVUYPG-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP Nc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000647538823 411954500 /nfs/dbraw/zinc/95/45/00/411954500.db2.gz JPALJJWWQKPWCC-CYBMUJFWSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000647538823 411954506 /nfs/dbraw/zinc/95/45/06/411954506.db2.gz JPALJJWWQKPWCC-CYBMUJFWSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000647538824 411955441 /nfs/dbraw/zinc/95/54/41/411955441.db2.gz JPALJJWWQKPWCC-ZDUSSCGKSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000647538824 411955445 /nfs/dbraw/zinc/95/54/45/411955445.db2.gz JPALJJWWQKPWCC-ZDUSSCGKSA-N 2 1 232.331 0.849 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662236134 412033921 /nfs/dbraw/zinc/03/39/21/412033921.db2.gz CTOBERMAZZOJAD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662236134 412033926 /nfs/dbraw/zinc/03/39/26/412033926.db2.gz CTOBERMAZZOJAD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](C[N@@H+](C)C1CC[NH2+]CC1)OC ZINC000662238455 412035046 /nfs/dbraw/zinc/03/50/46/412035046.db2.gz QBJVMNWNGJVOPO-NSHDSACASA-N 2 1 216.325 0.332 20 0 BCADMP CCc1nc([C@H](C)N2CC[C@H](C[NH3+])C2)n[nH]1 ZINC000662245138 412041900 /nfs/dbraw/zinc/04/19/00/412041900.db2.gz RQDUMKQZQDCGRA-DTWKUNHWSA-N 2 1 223.324 0.709 20 0 BCADMP CCc1nc([C@H](C)N2CC[C@@H](C[NH3+])C2)n[nH]1 ZINC000662245145 412042151 /nfs/dbraw/zinc/04/21/51/412042151.db2.gz RQDUMKQZQDCGRA-IUCAKERBSA-N 2 1 223.324 0.709 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000662247625 412044850 /nfs/dbraw/zinc/04/48/50/412044850.db2.gz HGWYJDDSLCRZED-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000662247625 412044854 /nfs/dbraw/zinc/04/48/54/412044854.db2.gz HGWYJDDSLCRZED-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246883 412045135 /nfs/dbraw/zinc/04/51/35/412045135.db2.gz UQZJCZFBXJJTJV-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246883 412045136 /nfs/dbraw/zinc/04/51/36/412045136.db2.gz UQZJCZFBXJJTJV-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248469 412046166 /nfs/dbraw/zinc/04/61/66/412046166.db2.gz CGQQAVDVMAKIRS-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662248325 412046986 /nfs/dbraw/zinc/04/69/86/412046986.db2.gz ZHSOAXQWBHIIPT-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000662248325 412046989 /nfs/dbraw/zinc/04/69/89/412046989.db2.gz ZHSOAXQWBHIIPT-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249711 412047599 /nfs/dbraw/zinc/04/75/99/412047599.db2.gz YIKYFLFRANKPDO-QWRGUYRKSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249711 412047600 /nfs/dbraw/zinc/04/76/00/412047600.db2.gz YIKYFLFRANKPDO-QWRGUYRKSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254627 412048516 /nfs/dbraw/zinc/04/85/16/412048516.db2.gz QVVOCDWDHYXCID-WDEREUQCSA-N 2 1 210.321 0.849 20 0 BCADMP CCOCC[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255044 412048573 /nfs/dbraw/zinc/04/85/73/412048573.db2.gz VZWKXYIQLVHQKX-GFCCVEGCSA-N 2 1 242.363 0.866 20 0 BCADMP CC[N@@H+](CCCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256286 412051276 /nfs/dbraw/zinc/05/12/76/412051276.db2.gz KIRRKGFGAPJUTR-LLVKDONJSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259245 412052938 /nfs/dbraw/zinc/05/29/38/412052938.db2.gz SRJQMGODKALNDH-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662272137 412063609 /nfs/dbraw/zinc/06/36/09/412063609.db2.gz KMQNRGCOBHJNSB-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848637 171099085 /nfs/dbraw/zinc/09/90/85/171099085.db2.gz LFTMRJUSFLDXCP-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000357956956 171119299 /nfs/dbraw/zinc/11/92/99/171119299.db2.gz HXELJSHFPHAZSR-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CCO1 ZINC000357956956 171119302 /nfs/dbraw/zinc/11/93/02/171119302.db2.gz HXELJSHFPHAZSR-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000353435646 171149003 /nfs/dbraw/zinc/14/90/03/171149003.db2.gz WWZZVHXPFZBMLO-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000353435646 171149005 /nfs/dbraw/zinc/14/90/05/171149005.db2.gz WWZZVHXPFZBMLO-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CC[C@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276555 412069170 /nfs/dbraw/zinc/06/91/70/412069170.db2.gz KJMMHEYNGOIEGI-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278300 412071223 /nfs/dbraw/zinc/07/12/23/412071223.db2.gz FCTQOXYQGAFPPP-MNOVXSKESA-N 2 1 226.320 0.228 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278300 412071226 /nfs/dbraw/zinc/07/12/26/412071226.db2.gz FCTQOXYQGAFPPP-MNOVXSKESA-N 2 1 226.320 0.228 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281555 412072827 /nfs/dbraw/zinc/07/28/27/412072827.db2.gz NUBIUKCSJPOZIK-LLVKDONJSA-N 3 1 227.352 0.049 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281555 412072830 /nfs/dbraw/zinc/07/28/30/412072830.db2.gz NUBIUKCSJPOZIK-LLVKDONJSA-N 3 1 227.352 0.049 20 0 BCADMP CC[C@H](C(=O)NCC[NH+]1CCC1)[NH+](C)C ZINC000339010851 171228798 /nfs/dbraw/zinc/22/87/98/171228798.db2.gz MGYPIWMCTNFXTO-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000338272782 171231655 /nfs/dbraw/zinc/23/16/55/171231655.db2.gz UNRHWIFEWOVOOU-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)OC ZINC000662282621 412073239 /nfs/dbraw/zinc/07/32/39/412073239.db2.gz PDQFWEYNNFHKQX-UTUOFQBUSA-N 2 1 230.352 0.565 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073272 /nfs/dbraw/zinc/07/32/72/412073272.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 2 1 241.379 0.280 20 0 BCADMP C[C@@H]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073274 /nfs/dbraw/zinc/07/32/74/412073274.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 2 1 241.379 0.280 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283291 412074883 /nfs/dbraw/zinc/07/48/83/412074883.db2.gz HCJVMMTZUNCUHU-GRYCIOLGSA-N 3 1 239.363 0.319 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283291 412074885 /nfs/dbraw/zinc/07/48/85/412074885.db2.gz HCJVMMTZUNCUHU-GRYCIOLGSA-N 2 1 239.363 0.319 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000662283044 412075464 /nfs/dbraw/zinc/07/54/64/412075464.db2.gz ZTYNEMIEPHTMCX-SECBINFHSA-N 2 1 222.279 0.952 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000662283044 412075470 /nfs/dbraw/zinc/07/54/70/412075470.db2.gz ZTYNEMIEPHTMCX-SECBINFHSA-N 2 1 222.279 0.952 20 0 BCADMP Cn1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1=O ZINC000662293911 412082660 /nfs/dbraw/zinc/08/26/60/412082660.db2.gz XLNYRTVXJLUSGJ-UHFFFAOYSA-N 2 1 223.320 0.554 20 0 BCADMP Cn1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1=O ZINC000662293911 412082662 /nfs/dbraw/zinc/08/26/62/412082662.db2.gz XLNYRTVXJLUSGJ-UHFFFAOYSA-N 2 1 223.320 0.554 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226396544 171306609 /nfs/dbraw/zinc/30/66/09/171306609.db2.gz OMWRWJZMLODALI-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226397273 171306941 /nfs/dbraw/zinc/30/69/41/171306941.db2.gz XUXYCUZWUVKJSZ-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224884330 171324525 /nfs/dbraw/zinc/32/45/25/171324525.db2.gz BRKPAXFSKWYIJV-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224884330 171324527 /nfs/dbraw/zinc/32/45/27/171324527.db2.gz BRKPAXFSKWYIJV-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726767 171371398 /nfs/dbraw/zinc/37/13/98/171371398.db2.gz DBBJGEUQUUHWJV-HOSYDEDBSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480116 171395087 /nfs/dbraw/zinc/39/50/87/171395087.db2.gz VCLGQFZCLYCOTD-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000662387166 412140819 /nfs/dbraw/zinc/14/08/19/412140819.db2.gz ITWWLEWYZVRGFT-TUAOUCFPSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303112 412086496 /nfs/dbraw/zinc/08/64/96/412086496.db2.gz SQNRNDHRPQKCSU-XQQFMLRXSA-N 2 1 242.363 0.315 20 0 BCADMP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@H]1CCCO1 ZINC000662305262 412090293 /nfs/dbraw/zinc/09/02/93/412090293.db2.gz GGEMNMNSNVLUJZ-MOENNCHZSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@H]1CCCO1 ZINC000662305262 412090298 /nfs/dbraw/zinc/09/02/98/412090298.db2.gz GGEMNMNSNVLUJZ-MOENNCHZSA-N 2 1 210.321 0.979 20 0 BCADMP C[N@H+](CC1=CCCOC1)C[C@@H]1CC[NH2+]C1 ZINC000662305614 412090401 /nfs/dbraw/zinc/09/04/01/412090401.db2.gz LBZNSAYBOLKHMR-LLVKDONJSA-N 2 1 210.321 0.874 20 0 BCADMP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1CCCO1 ZINC000662305261 412091662 /nfs/dbraw/zinc/09/16/62/412091662.db2.gz GGEMNMNSNVLUJZ-CXQJBGSLSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1CCCO1 ZINC000662305261 412091664 /nfs/dbraw/zinc/09/16/64/412091664.db2.gz GGEMNMNSNVLUJZ-CXQJBGSLSA-N 2 1 210.321 0.979 20 0 BCADMP Cn1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)nn1 ZINC000662312181 412093971 /nfs/dbraw/zinc/09/39/71/412093971.db2.gz XAIUZIXECLYLHD-SNVBAGLBSA-N 2 1 223.324 0.247 20 0 BCADMP Cn1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)nn1 ZINC000662312181 412093977 /nfs/dbraw/zinc/09/39/77/412093977.db2.gz XAIUZIXECLYLHD-SNVBAGLBSA-N 2 1 223.324 0.247 20 0 BCADMP CN1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCC1=O ZINC000662313083 412094212 /nfs/dbraw/zinc/09/42/12/412094212.db2.gz JJMMYVCFEMSZGZ-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662315250 412095804 /nfs/dbraw/zinc/09/58/04/412095804.db2.gz QZQVNXVVVYMKMF-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])OC ZINC000662314340 412095828 /nfs/dbraw/zinc/09/58/28/412095828.db2.gz FJEVYZGNEPULGV-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])OC ZINC000662314340 412095831 /nfs/dbraw/zinc/09/58/31/412095831.db2.gz FJEVYZGNEPULGV-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662326175 412102553 /nfs/dbraw/zinc/10/25/53/412102553.db2.gz PZFSBPSYXJEJES-IJLUTSLNSA-N 2 1 245.342 0.078 20 0 BCADMP [NH3+]CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327680 412105218 /nfs/dbraw/zinc/10/52/18/412105218.db2.gz SYARSKHUNPYQOF-TXEJJXNPSA-N 2 1 210.321 0.838 20 0 BCADMP [NH3+]CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327680 412105220 /nfs/dbraw/zinc/10/52/20/412105220.db2.gz SYARSKHUNPYQOF-TXEJJXNPSA-N 2 1 210.321 0.838 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454554 412181738 /nfs/dbraw/zinc/18/17/38/412181738.db2.gz NVSLEFPSHFBQIU-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000662474812 412188156 /nfs/dbraw/zinc/18/81/56/412188156.db2.gz CSBZQVLPBFQWOV-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662496827 412195815 /nfs/dbraw/zinc/19/58/15/412195815.db2.gz BWZXMRHNENHEEB-PWSUYJOCSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[N@H+]1CC[C@@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274094 412215302 /nfs/dbraw/zinc/21/53/02/412215302.db2.gz JLPWNPAWDHDUST-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665261767 412203311 /nfs/dbraw/zinc/20/33/11/412203311.db2.gz KWLKQRMZDJKVEO-DTWKUNHWSA-N 2 1 209.293 0.916 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000662525274 412204060 /nfs/dbraw/zinc/20/40/60/412204060.db2.gz GEHWKMWYUWVOIC-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665261768 412204084 /nfs/dbraw/zinc/20/40/84/412204084.db2.gz KWLKQRMZDJKVEO-RKDXNWHRSA-N 2 1 209.293 0.916 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000662526202 412206174 /nfs/dbraw/zinc/20/61/74/412206174.db2.gz VBJXAFRSTIAQKK-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000662401579 412145643 /nfs/dbraw/zinc/14/56/43/412145643.db2.gz WZQCIMNSCJMVLO-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000662419193 412159933 /nfs/dbraw/zinc/15/99/33/412159933.db2.gz FQOIOXGPKINTSG-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)C(C)C ZINC000662437801 412174702 /nfs/dbraw/zinc/17/47/02/412174702.db2.gz VCCMDQSRXLIPSL-JTQLQIEISA-N 2 1 215.341 0.441 20 0 BCADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234824 412174727 /nfs/dbraw/zinc/17/47/27/412174727.db2.gz KOASPBMROSAGHJ-FDYHWXHSSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000665234413 412174860 /nfs/dbraw/zinc/17/48/60/412174860.db2.gz CKLWTWUUAGRKMO-USWWRNFRSA-N 2 1 212.337 0.878 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680683 412268662 /nfs/dbraw/zinc/26/86/62/412268662.db2.gz YOWTVXZMIUZBII-UHFFFAOYSA-N 2 1 225.336 0.278 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CC1([NH3+])CC1 ZINC000662678658 412268676 /nfs/dbraw/zinc/26/86/76/412268676.db2.gz IHMFGOVANHUDNK-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681165 412269485 /nfs/dbraw/zinc/26/94/85/412269485.db2.gz VPCYDFLXVVGOSJ-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662700689 412275934 /nfs/dbraw/zinc/27/59/34/412275934.db2.gz JRFNXDMDWFJZNQ-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711296 412279451 /nfs/dbraw/zinc/27/94/51/412279451.db2.gz BBGYGLQYXNUGMQ-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1c[nH+]ccc1N ZINC000665274840 412217806 /nfs/dbraw/zinc/21/78/06/412217806.db2.gz ZKIDRNAQRVOQPX-IUCAKERBSA-N 2 1 234.303 0.423 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277653 412220838 /nfs/dbraw/zinc/22/08/38/412220838.db2.gz HNDOBKNJDGTHRN-UZEXVOJHSA-N 2 1 209.337 0.278 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277949 412221409 /nfs/dbraw/zinc/22/14/09/412221409.db2.gz QGXBRQKYLRCHPI-AKXGODRKSA-N 2 1 235.375 0.811 20 0 BCADMP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277759 412221844 /nfs/dbraw/zinc/22/18/44/412221844.db2.gz KVEANKJZDYRMEA-CQLXCSJHSA-N 2 1 223.364 0.811 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279784 412223654 /nfs/dbraw/zinc/22/36/54/412223654.db2.gz MFWSXRIZOQYJKO-CXQJBGSLSA-N 3 1 227.352 0.082 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662585774 412230598 /nfs/dbraw/zinc/23/05/98/412230598.db2.gz LQESTBLNGDUMGD-GHMZBOCLSA-N 2 1 236.319 0.756 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[NH2+]CC1CC1 ZINC000662585605 412230836 /nfs/dbraw/zinc/23/08/36/412230836.db2.gz KRVXSDZDMYUOEE-UHFFFAOYSA-N 2 1 222.292 0.368 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000662586378 412231054 /nfs/dbraw/zinc/23/10/54/412231054.db2.gz TVNMSAYLBMSRBL-WPRPVWTQSA-N 2 1 222.292 0.366 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000662594489 412234216 /nfs/dbraw/zinc/23/42/16/412234216.db2.gz UHOYJFGDYRIPCS-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000665296665 412243020 /nfs/dbraw/zinc/24/30/20/412243020.db2.gz WCJGXVKCNCGIJQ-AXFHLTTASA-N 2 1 211.353 0.809 20 0 BCADMP CNC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665295226 412243233 /nfs/dbraw/zinc/24/32/33/412243233.db2.gz ALBVPIUYSWQXBA-QWRGUYRKSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622311 412244398 /nfs/dbraw/zinc/24/43/98/412244398.db2.gz QKPUPFQIKBHSKI-UWVGGRQHSA-N 2 1 227.352 0.713 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000662622191 412244989 /nfs/dbraw/zinc/24/49/89/412244989.db2.gz QGLCCXNVOGOLTA-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)C[NH2+]C ZINC000665298219 412246750 /nfs/dbraw/zinc/24/67/50/412246750.db2.gz UEIMYSGQJRRHBP-VHSXEESVSA-N 2 1 211.313 0.254 20 0 BCADMP C[C@@H]([NH2+]CCOCCF)[C@H]1CCC[NH2+]1 ZINC000665298893 412248016 /nfs/dbraw/zinc/24/80/16/412248016.db2.gz BVJJGXTXPLTLEX-NXEZZACHSA-N 2 1 204.289 0.703 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795125 412305172 /nfs/dbraw/zinc/30/51/72/412305172.db2.gz XAQWVDNWXXWZMI-FIQHERPVSA-N 2 1 239.363 0.522 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839332 412316865 /nfs/dbraw/zinc/31/68/65/412316865.db2.gz PVTORPIFEXRCSL-MNOVXSKESA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839333 412316978 /nfs/dbraw/zinc/31/69/78/412316978.db2.gz PVTORPIFEXRCSL-QWRGUYRKSA-N 2 1 225.336 0.468 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000662863312 412329401 /nfs/dbraw/zinc/32/94/01/412329401.db2.gz NSFWBUVHFPIPOA-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914087 412343881 /nfs/dbraw/zinc/34/38/81/412343881.db2.gz WSKGXKWLRBOQEV-DCAQKATOSA-N 2 1 225.336 0.324 20 0 BCADMP C[NH+](C)C1(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000665531732 412349510 /nfs/dbraw/zinc/34/95/10/412349510.db2.gz MIXFGMYWOXGSKA-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747934 412289681 /nfs/dbraw/zinc/28/96/81/412289681.db2.gz HFSPMMGGTCOEAB-NXEZZACHSA-N 2 1 231.315 0.224 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746576 412290034 /nfs/dbraw/zinc/29/00/34/412290034.db2.gz QAJDMTBYIOXLEH-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000662747478 412290408 /nfs/dbraw/zinc/29/04/08/412290408.db2.gz ZAECHNOSKVOILM-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662747290 412290419 /nfs/dbraw/zinc/29/04/19/412290419.db2.gz YZYWPXZIPVMLGK-KKOKHZNYSA-N 2 1 239.363 0.665 20 0 BCADMP Cc1nc[nH]c1CNC(=O)[C@@H](N)COC(C)C ZINC000662751736 412291119 /nfs/dbraw/zinc/29/11/19/412291119.db2.gz DGVPYJTUHBFRIK-VIFPVBQESA-N 2 1 240.307 0.087 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662764850 412294448 /nfs/dbraw/zinc/29/44/48/412294448.db2.gz AWEBESMOCFQVQV-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP c1[nH]nc2c1C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)CCC2 ZINC000663187417 412392106 /nfs/dbraw/zinc/39/21/06/412392106.db2.gz JOCPIKFNBZZVOW-YPMHNXCESA-N 2 1 232.331 0.767 20 0 BCADMP c1[nH]nc2c1C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)CCC2 ZINC000663187417 412392109 /nfs/dbraw/zinc/39/21/09/412392109.db2.gz JOCPIKFNBZZVOW-YPMHNXCESA-N 2 1 232.331 0.767 20 0 BCADMP c1[nH]nc2c1C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)CCC2 ZINC000663187416 412392492 /nfs/dbraw/zinc/39/24/92/412392492.db2.gz JOCPIKFNBZZVOW-WCQYABFASA-N 2 1 232.331 0.767 20 0 BCADMP c1[nH]nc2c1C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)CCC2 ZINC000663187416 412392495 /nfs/dbraw/zinc/39/24/95/412392495.db2.gz JOCPIKFNBZZVOW-WCQYABFASA-N 2 1 232.331 0.767 20 0 BCADMP [NH3+]Cc1noc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000663252052 412401362 /nfs/dbraw/zinc/40/13/62/412401362.db2.gz XMICVLMSZJDZPG-UHFFFAOYSA-N 2 1 230.271 0.841 20 0 BCADMP CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000070074167 172307845 /nfs/dbraw/zinc/30/78/45/172307845.db2.gz HBDNQSMOTYROIK-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362057011 172353029 /nfs/dbraw/zinc/35/30/29/172353029.db2.gz AOZJBOFKZXGGLJ-QWRGUYRKSA-N 2 1 240.351 0.326 20 0 BCADMP CN(C)C(=[NH2+])NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362057011 172353030 /nfs/dbraw/zinc/35/30/30/172353030.db2.gz AOZJBOFKZXGGLJ-QWRGUYRKSA-N 2 1 240.351 0.326 20 0 BCADMP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362057027 172353656 /nfs/dbraw/zinc/35/36/56/172353656.db2.gz AOZJBOFKZXGGLJ-WDEREUQCSA-N 2 1 240.351 0.326 20 0 BCADMP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362057027 172353658 /nfs/dbraw/zinc/35/36/58/172353658.db2.gz AOZJBOFKZXGGLJ-WDEREUQCSA-N 2 1 240.351 0.326 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309317056 172357840 /nfs/dbraw/zinc/35/78/40/172357840.db2.gz ZCXKHYRKULAYEH-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309317056 172357842 /nfs/dbraw/zinc/35/78/42/172357842.db2.gz ZCXKHYRKULAYEH-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000353855456 172358680 /nfs/dbraw/zinc/35/86/80/172358680.db2.gz NCSFCAMWFDVUPG-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000040807127 172395371 /nfs/dbraw/zinc/39/53/71/172395371.db2.gz JVKNMBPHQDIKOK-QMMMGPOBSA-N 2 1 231.365 0.105 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000019422916 172421424 /nfs/dbraw/zinc/42/14/24/172421424.db2.gz CMSYAWXZIIKQGA-SECBINFHSA-N 2 1 245.392 0.353 20 0 BCADMP C[NH+]1CCC2(CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000367198965 173002874 /nfs/dbraw/zinc/00/28/74/173002874.db2.gz HPNSBGTXUADRJF-UHFFFAOYSA-N 2 1 225.336 0.280 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000121449272 173012570 /nfs/dbraw/zinc/01/25/70/173012570.db2.gz OXZRXWWUTLWKDK-CYBMUJFWSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)C1CC1 ZINC000305115249 173027943 /nfs/dbraw/zinc/02/79/43/173027943.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)C1CC1 ZINC000305115249 173027944 /nfs/dbraw/zinc/02/79/44/173027944.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)C1CC1 ZINC000305115249 173027945 /nfs/dbraw/zinc/02/79/45/173027945.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394211 173029844 /nfs/dbraw/zinc/02/98/44/173029844.db2.gz GPANPSBEYOBSPM-PWSUYJOCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424836 173031563 /nfs/dbraw/zinc/03/15/63/173031563.db2.gz XXQABRKUHWBNPB-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262926 173033674 /nfs/dbraw/zinc/03/36/74/173033674.db2.gz RRHFEBNWZHQZOO-MNOVXSKESA-N 2 1 237.347 0.563 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639461 173035106 /nfs/dbraw/zinc/03/51/06/173035106.db2.gz FGSVOIOORKWNDE-VXGBXAGGSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@H]3O)CC[C@@H]21 ZINC000310212401 173035894 /nfs/dbraw/zinc/03/58/94/173035894.db2.gz HCJCTDSGZZUSMI-YVECIDJPSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3COC[C@H]3O)CC[C@@H]21 ZINC000310212401 173035896 /nfs/dbraw/zinc/03/58/96/173035896.db2.gz HCJCTDSGZZUSMI-YVECIDJPSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3COC[C@H]3O)CC[C@@H]21 ZINC000310212401 173035897 /nfs/dbraw/zinc/03/58/97/173035897.db2.gz HCJCTDSGZZUSMI-YVECIDJPSA-N 2 1 240.347 0.162 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@@H]3O)CC[C@H]21 ZINC000310212399 173037016 /nfs/dbraw/zinc/03/70/16/173037016.db2.gz HCJCTDSGZZUSMI-LPWJVIDDSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3COC[C@@H]3O)CC[C@H]21 ZINC000310212399 173037017 /nfs/dbraw/zinc/03/70/17/173037017.db2.gz HCJCTDSGZZUSMI-LPWJVIDDSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3COC[C@@H]3O)CC[C@H]21 ZINC000310212399 173037020 /nfs/dbraw/zinc/03/70/20/173037020.db2.gz HCJCTDSGZZUSMI-LPWJVIDDSA-N 2 1 240.347 0.162 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC[NH2+]1 ZINC000336597647 173040150 /nfs/dbraw/zinc/04/01/50/173040150.db2.gz BHTGLECZQCPJDS-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC[NH3+] ZINC000237085242 173040164 /nfs/dbraw/zinc/04/01/64/173040164.db2.gz BBXALNIXUNHZPG-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000054243273 173042549 /nfs/dbraw/zinc/04/25/49/173042549.db2.gz IFNAGMIQDBFSSC-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000054243273 173042552 /nfs/dbraw/zinc/04/25/52/173042552.db2.gz IFNAGMIQDBFSSC-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768158 173042743 /nfs/dbraw/zinc/04/27/43/173042743.db2.gz KQXLNHVVWXUQCZ-LLVKDONJSA-N 2 1 220.320 0.908 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768158 173042745 /nfs/dbraw/zinc/04/27/45/173042745.db2.gz KQXLNHVVWXUQCZ-LLVKDONJSA-N 2 1 220.320 0.908 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044751869 173044813 /nfs/dbraw/zinc/04/48/13/173044813.db2.gz QIKZJBQTJPBTNM-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000114072981 173048215 /nfs/dbraw/zinc/04/82/15/173048215.db2.gz MGIWQSZDZNZZOJ-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000129130440 173053944 /nfs/dbraw/zinc/05/39/44/173053944.db2.gz CINBPHBXSSHBFC-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000129130440 173053948 /nfs/dbraw/zinc/05/39/48/173053948.db2.gz CINBPHBXSSHBFC-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262928 173059393 /nfs/dbraw/zinc/05/93/93/173059393.db2.gz RRHFEBNWZHQZOO-WDEREUQCSA-N 2 1 237.347 0.563 20 0 BCADMP C[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044761242 173064882 /nfs/dbraw/zinc/06/48/82/173064882.db2.gz BTELOSZRULFCAO-UHFFFAOYSA-N 2 1 225.336 0.280 20 0 BCADMP C[N@@H+]1CCN(C(=O)C2C[NH2+]C2)c2ccccc2C1 ZINC000371749274 173065649 /nfs/dbraw/zinc/06/56/49/173065649.db2.gz YOVAPKXEXWTDTN-UHFFFAOYSA-N 2 1 245.326 0.684 20 0 BCADMP C[N@H+]1CCN(C(=O)C2C[NH2+]C2)c2ccccc2C1 ZINC000371749274 173065652 /nfs/dbraw/zinc/06/56/52/173065652.db2.gz YOVAPKXEXWTDTN-UHFFFAOYSA-N 2 1 245.326 0.684 20 0 BCADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000338236028 173067545 /nfs/dbraw/zinc/06/75/45/173067545.db2.gz VCFYEHZFGYMZPZ-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000338236028 173067547 /nfs/dbraw/zinc/06/75/47/173067547.db2.gz VCFYEHZFGYMZPZ-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000019722442 173073287 /nfs/dbraw/zinc/07/32/87/173073287.db2.gz QVWMELMURQKYIE-UHFFFAOYSA-N 2 1 233.315 0.533 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751813 173115427 /nfs/dbraw/zinc/11/54/27/173115427.db2.gz JLEMJOMBEMISFR-VIFPVBQESA-N 2 1 213.325 0.039 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCSC2)C1 ZINC000308966687 173137368 /nfs/dbraw/zinc/13/73/68/173137368.db2.gz WGWKLJRPBIHYEF-WDEREUQCSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCSC2)C1 ZINC000308966687 173137372 /nfs/dbraw/zinc/13/73/72/173137372.db2.gz WGWKLJRPBIHYEF-WDEREUQCSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226740930 173144905 /nfs/dbraw/zinc/14/49/05/173144905.db2.gz OIVYPAYHUPETOO-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(C)C1=O ZINC000336681350 173149312 /nfs/dbraw/zinc/14/93/12/173149312.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCO)[C@@H]2CCC[C@@H]21 ZINC000308902259 173152886 /nfs/dbraw/zinc/15/28/86/173152886.db2.gz BOFMZMICLHCMKT-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCSCC2)C1 ZINC000335602309 173164058 /nfs/dbraw/zinc/16/40/58/173164058.db2.gz OASVKPDFCVRLQH-NSHDSACASA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCSCC2)C1 ZINC000335602309 173164059 /nfs/dbraw/zinc/16/40/59/173164059.db2.gz OASVKPDFCVRLQH-NSHDSACASA-N 2 1 230.377 0.538 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335642446 173164802 /nfs/dbraw/zinc/16/48/02/173164802.db2.gz FREOYVBCBKEBQX-YPMHNXCESA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335642446 173164803 /nfs/dbraw/zinc/16/48/03/173164803.db2.gz FREOYVBCBKEBQX-YPMHNXCESA-N 2 1 224.348 0.975 20 0 BCADMP CNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180356 173274331 /nfs/dbraw/zinc/27/43/31/173274331.db2.gz ZXWGLRXBDVSDLP-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268786204 173282203 /nfs/dbraw/zinc/28/22/03/173282203.db2.gz DSYHAZGLCPGGAT-VIFPVBQESA-N 2 1 224.308 0.306 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353625259 173282598 /nfs/dbraw/zinc/28/25/98/173282598.db2.gz FSJZGKTUCKLSAG-DTWKUNHWSA-N 2 1 236.319 0.381 20 0 BCADMP C[NH2+]CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826032 173324964 /nfs/dbraw/zinc/32/49/64/173324964.db2.gz TVZPOKMQSSFGPU-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000249418004 173325557 /nfs/dbraw/zinc/32/55/57/173325557.db2.gz DCWOANOVQADHIX-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000237230178 173328499 /nfs/dbraw/zinc/32/84/99/173328499.db2.gz NLYLRPMULDBWKH-SECBINFHSA-N 2 1 224.308 0.163 20 0 BCADMP C[NH2+]CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000077418179 173328631 /nfs/dbraw/zinc/32/86/31/173328631.db2.gz WAUCGNDHZXKPBK-UHFFFAOYSA-N 2 1 247.342 0.380 20 0 BCADMP C[NH2+]CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000077418179 173328633 /nfs/dbraw/zinc/32/86/33/173328633.db2.gz WAUCGNDHZXKPBK-UHFFFAOYSA-N 2 1 247.342 0.380 20 0 BCADMP C[NH2+]CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000237215799 173328724 /nfs/dbraw/zinc/32/87/24/173328724.db2.gz LSFHWXWZQZXZCD-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000237235550 173330867 /nfs/dbraw/zinc/33/08/67/173330867.db2.gz NLYLRPMULDBWKH-VIFPVBQESA-N 2 1 224.308 0.163 20 0 BCADMP C[NH2+]CCC(=O)NCCCn1cc[nH+]c1C ZINC000285798302 173340024 /nfs/dbraw/zinc/34/00/24/173340024.db2.gz PUYKGQUQJDAPDK-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447133 173340196 /nfs/dbraw/zinc/34/01/96/173340196.db2.gz JMJFHXRVRXOZCI-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251618062 173340253 /nfs/dbraw/zinc/34/02/53/173340253.db2.gz DUCLRAKRNXEVCF-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398479 173344580 /nfs/dbraw/zinc/34/45/80/173344580.db2.gz NEMIGWVYPNVOLD-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037611140 173344997 /nfs/dbraw/zinc/34/49/97/173344997.db2.gz BWOWLWYCQMICCU-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000336741006 173347236 /nfs/dbraw/zinc/34/72/36/173347236.db2.gz MVIRLMNVGFWWBC-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000336741006 173347238 /nfs/dbraw/zinc/34/72/38/173347238.db2.gz MVIRLMNVGFWWBC-SDDRHHMPSA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000336710540 173347250 /nfs/dbraw/zinc/34/72/50/173347250.db2.gz RTKKUVCROIIWKJ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000336710540 173347252 /nfs/dbraw/zinc/34/72/52/173347252.db2.gz RTKKUVCROIIWKJ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000372433857 173351808 /nfs/dbraw/zinc/35/18/08/173351808.db2.gz QRFZFKOOUZQTKK-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269141665 173354927 /nfs/dbraw/zinc/35/49/27/173354927.db2.gz AOVZYJGRJVBOLP-LBPRGKRZSA-N 2 1 249.358 0.843 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000237147753 173362687 /nfs/dbraw/zinc/36/26/87/173362687.db2.gz GMAORGXHHLVFIS-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000226390147 173373976 /nfs/dbraw/zinc/37/39/76/173373976.db2.gz JUVDFRQYYUWEKO-JTQLQIEISA-N 2 1 245.392 0.007 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132899262 173375003 /nfs/dbraw/zinc/37/50/03/173375003.db2.gz XTULJBRPJQIWNS-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000237306862 173379051 /nfs/dbraw/zinc/37/90/51/173379051.db2.gz ITSUCPBLBRJGCJ-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000226420523 173381648 /nfs/dbraw/zinc/38/16/48/173381648.db2.gz VHGPLZAYOBOPHO-GFCCVEGCSA-N 2 1 212.337 0.954 20 0 BCADMP COCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062031661 174216811 /nfs/dbraw/zinc/21/68/11/174216811.db2.gz OSCLOCMBCKWEJL-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP COCCC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309483026 174217491 /nfs/dbraw/zinc/21/74/91/174217491.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309483026 174217492 /nfs/dbraw/zinc/21/74/92/174217492.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309483026 174217493 /nfs/dbraw/zinc/21/74/93/174217493.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309483026 174217494 /nfs/dbraw/zinc/21/74/94/174217494.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309483026 174217495 /nfs/dbraw/zinc/21/74/95/174217495.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309483026 174217496 /nfs/dbraw/zinc/21/74/96/174217496.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309483026 174217497 /nfs/dbraw/zinc/21/74/97/174217497.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP COCCC[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000340703804 174224469 /nfs/dbraw/zinc/22/44/69/174224469.db2.gz UODMVAQEFSEPBW-GFCCVEGCSA-N 2 1 230.352 0.317 20 0 BCADMP COCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077341713 174233392 /nfs/dbraw/zinc/23/33/92/174233392.db2.gz ZIPSPVVJHKYLFG-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP COCCN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336722839 174297836 /nfs/dbraw/zinc/29/78/36/174297836.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP COCC[N@H+](C[C@@H](O)CN(C)C1CC1)C1CC1 ZINC000336722839 174297837 /nfs/dbraw/zinc/29/78/37/174297837.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP COCC[N@@H+](C[C@@H](O)CN(C)C1CC1)C1CC1 ZINC000336722839 174297838 /nfs/dbraw/zinc/29/78/38/174297838.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000352814108 174304818 /nfs/dbraw/zinc/30/48/18/174304818.db2.gz KUKUUYOZNMVCBD-UHFFFAOYSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000341266253 174305188 /nfs/dbraw/zinc/30/51/88/174305188.db2.gz BJYSGXKPMRAXGK-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036907475 174338810 /nfs/dbraw/zinc/33/88/10/174338810.db2.gz GXBHJFXQMYMVDO-GMTAPVOTSA-N 2 1 200.326 0.951 20 0 BCADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000337505974 174396308 /nfs/dbraw/zinc/39/63/08/174396308.db2.gz FMTPGBBIHGVSGK-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000337505975 174397116 /nfs/dbraw/zinc/39/71/16/174397116.db2.gz FMTPGBBIHGVSGK-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP COc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000042441726 175255312 /nfs/dbraw/zinc/25/53/12/175255312.db2.gz ZVJXRIPMNNRAES-LLVKDONJSA-N 2 1 224.304 0.447 20 0 BCADMP COc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000042441726 175255313 /nfs/dbraw/zinc/25/53/13/175255313.db2.gz ZVJXRIPMNNRAES-LLVKDONJSA-N 2 1 224.304 0.447 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000237677668 176070501 /nfs/dbraw/zinc/07/05/01/176070501.db2.gz CAGFTMWFJLENJB-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000020179808 176072233 /nfs/dbraw/zinc/07/22/33/176072233.db2.gz SFQFJXUIDNYQCH-GFCCVEGCSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000019685429 176096734 /nfs/dbraw/zinc/09/67/34/176096734.db2.gz RMELCCMFNNDZDI-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000237399900 176098308 /nfs/dbraw/zinc/09/83/08/176098308.db2.gz LKXQVZZCFGWZCB-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](CNC(=O)CCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401416 176103076 /nfs/dbraw/zinc/10/30/76/176103076.db2.gz NBMFEWJSHFTDPK-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336343916 176166451 /nfs/dbraw/zinc/16/64/51/176166451.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336343916 176166454 /nfs/dbraw/zinc/16/64/54/176166454.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336343916 176166456 /nfs/dbraw/zinc/16/64/56/176166456.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000335568624 176266817 /nfs/dbraw/zinc/26/68/17/176266817.db2.gz RESPYFVFTUMQAW-SFYZADRCSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000335568624 176266818 /nfs/dbraw/zinc/26/68/18/176266818.db2.gz RESPYFVFTUMQAW-SFYZADRCSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000226401352 176267804 /nfs/dbraw/zinc/26/78/04/176267804.db2.gz HQUPWFBDANAVHJ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000226401352 176267806 /nfs/dbraw/zinc/26/78/06/176267806.db2.gz HQUPWFBDANAVHJ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000358048266 176269794 /nfs/dbraw/zinc/26/97/94/176269794.db2.gz PBLYAQUGGNWJMC-MROQNXINSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000126489388 176269875 /nfs/dbraw/zinc/26/98/75/176269875.db2.gz GAHCYEJXHNQUQS-ZJUUUORDSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000361585998 176269999 /nfs/dbraw/zinc/26/99/99/176269999.db2.gz KJFBOWSXMIOWOE-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000361585998 176270001 /nfs/dbraw/zinc/27/00/01/176270001.db2.gz KJFBOWSXMIOWOE-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336751166 176270079 /nfs/dbraw/zinc/27/00/79/176270079.db2.gz CAECIYVLZXCBEH-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000361585996 176271062 /nfs/dbraw/zinc/27/10/62/176271062.db2.gz KJFBOWSXMIOWOE-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000361585996 176271063 /nfs/dbraw/zinc/27/10/63/176271063.db2.gz KJFBOWSXMIOWOE-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309784908 176271145 /nfs/dbraw/zinc/27/11/45/176271145.db2.gz NULMCXNJZMRRIX-RAIGVLPGSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309792227 176271365 /nfs/dbraw/zinc/27/13/65/176271365.db2.gz PMYSRILVIDTMFS-IJLUTSLNSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N(C)C ZINC000037751911 176278018 /nfs/dbraw/zinc/27/80/18/176278018.db2.gz KDNWHEHKQPFKGQ-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCO ZINC000036908335 176278044 /nfs/dbraw/zinc/27/80/44/176278044.db2.gz VMAMVINEFZCCMW-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251551287 176316888 /nfs/dbraw/zinc/31/68/88/176316888.db2.gz BFWOSDOHVZBAHZ-GMTAPVOTSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251551287 176316889 /nfs/dbraw/zinc/31/68/89/176316889.db2.gz BFWOSDOHVZBAHZ-GMTAPVOTSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000246572423 176323241 /nfs/dbraw/zinc/32/32/41/176323241.db2.gz SSHLECNLALBECW-GRYCIOLGSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722455 176367953 /nfs/dbraw/zinc/36/79/53/176367953.db2.gz DXISTHWBVWGFHC-PWSUYJOCSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000226403423 176373376 /nfs/dbraw/zinc/37/33/76/176373376.db2.gz XFKIVMXRIBYQGM-MDZLAQPJSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336647261 176383500 /nfs/dbraw/zinc/38/35/00/176383500.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@@H](O)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336647261 176383501 /nfs/dbraw/zinc/38/35/01/176383501.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@@H](O)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336647261 176383502 /nfs/dbraw/zinc/38/35/02/176383502.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000336584547 177108616 /nfs/dbraw/zinc/10/86/16/177108616.db2.gz GGZNXNSWIQBFBT-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000336584547 177108618 /nfs/dbraw/zinc/10/86/18/177108618.db2.gz GGZNXNSWIQBFBT-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298711 177109745 /nfs/dbraw/zinc/10/97/45/177109745.db2.gz SMJINBQERKGVIA-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336685041 177109775 /nfs/dbraw/zinc/10/97/75/177109775.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336685041 177109776 /nfs/dbraw/zinc/10/97/76/177109776.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336685041 177109777 /nfs/dbraw/zinc/10/97/77/177109777.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336685041 177109778 /nfs/dbraw/zinc/10/97/78/177109778.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336675088 177161731 /nfs/dbraw/zinc/16/17/31/177161731.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336675088 177161733 /nfs/dbraw/zinc/16/17/33/177161733.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675088 177161734 /nfs/dbraw/zinc/16/17/34/177161734.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675088 177161735 /nfs/dbraw/zinc/16/17/35/177161735.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000358719451 177223298 /nfs/dbraw/zinc/22/32/98/177223298.db2.gz ZHWRFMJCBBLBFK-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000358719451 177223300 /nfs/dbraw/zinc/22/33/00/177223300.db2.gz ZHWRFMJCBBLBFK-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000358719451 177223301 /nfs/dbraw/zinc/22/33/01/177223301.db2.gz ZHWRFMJCBBLBFK-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000358719451 177223302 /nfs/dbraw/zinc/22/33/02/177223302.db2.gz ZHWRFMJCBBLBFK-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCC1 ZINC000309162406 177234313 /nfs/dbraw/zinc/23/43/13/177234313.db2.gz ZOOGRNHAXVAKBR-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211602 177234674 /nfs/dbraw/zinc/23/46/74/177234674.db2.gz OQRQOELTDFZCQL-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390422 177237467 /nfs/dbraw/zinc/23/74/67/177237467.db2.gz SMNAERXXTSQEFF-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000335605723 177237564 /nfs/dbraw/zinc/23/75/64/177237564.db2.gz GBXZXONWRDBNPX-CMPLNLGQSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375781 177237596 /nfs/dbraw/zinc/23/75/96/177237596.db2.gz MFKXOAYZFLRGRN-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000362375781 177237598 /nfs/dbraw/zinc/23/75/98/177237598.db2.gz MFKXOAYZFLRGRN-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000362375781 177237599 /nfs/dbraw/zinc/23/75/99/177237599.db2.gz MFKXOAYZFLRGRN-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000223211334 177252235 /nfs/dbraw/zinc/25/22/35/177252235.db2.gz XBWWJGXWBZTPHJ-UWVGGRQHSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000352483114 177354517 /nfs/dbraw/zinc/35/45/17/177354517.db2.gz YFZUQSKEEZXEPE-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237637605 177367533 /nfs/dbraw/zinc/36/75/33/177367533.db2.gz DHBLBGZYCREHLC-IUCAKERBSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1C ZINC000226011893 487644124 /nfs/dbraw/zinc/64/41/24/487644124.db2.gz MOMQOJJWXBHRNB-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+]1C ZINC000226011893 487644128 /nfs/dbraw/zinc/64/41/28/487644128.db2.gz MOMQOJJWXBHRNB-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H]1C[C@@H]1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000488435812 225397753 /nfs/dbraw/zinc/39/77/53/225397753.db2.gz WERCMVUOHAXMPY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560765 226346444 /nfs/dbraw/zinc/34/64/44/226346444.db2.gz HUKSSWOPPBAOOB-AAEUAGOBSA-N 3 1 223.364 0.978 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560765 226346446 /nfs/dbraw/zinc/34/64/46/226346446.db2.gz HUKSSWOPPBAOOB-AAEUAGOBSA-N 3 1 223.364 0.978 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030631 487653739 /nfs/dbraw/zinc/65/37/39/487653739.db2.gz SWNXFIUPGOOLLO-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030631 487653742 /nfs/dbraw/zinc/65/37/42/487653742.db2.gz SWNXFIUPGOOLLO-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000226082853 487656329 /nfs/dbraw/zinc/65/63/29/487656329.db2.gz WWNCMRYVQHRELT-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329310 487657400 /nfs/dbraw/zinc/65/74/00/487657400.db2.gz HAKBZMWXOBCITC-FVCCEPFGSA-N 2 1 224.348 0.689 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588389 487657416 /nfs/dbraw/zinc/65/74/16/487657416.db2.gz BUSCXLNTDSWUSB-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC)[C@@H](C)C1 ZINC000383659664 487658634 /nfs/dbraw/zinc/65/86/34/487658634.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000383659664 487658640 /nfs/dbraw/zinc/65/86/40/487658640.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000383659664 487658647 /nfs/dbraw/zinc/65/86/47/487658647.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669589378 487660328 /nfs/dbraw/zinc/66/03/28/487660328.db2.gz GITSAWXUUIPVNJ-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660056 /nfs/dbraw/zinc/66/00/56/487660056.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660058 /nfs/dbraw/zinc/66/00/58/487660058.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660062 /nfs/dbraw/zinc/66/00/62/487660062.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CCCc1c[nH+]cn1C ZINC000314963059 487669047 /nfs/dbraw/zinc/66/90/47/487669047.db2.gz VSHNWRFMANKPET-JQWIXIFHSA-N 2 1 222.336 0.774 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545994 487669960 /nfs/dbraw/zinc/66/99/60/487669960.db2.gz BXPNVNOKMNZLPR-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCO[C@@H](C[NH3+])C1 ZINC000314920152 487670301 /nfs/dbraw/zinc/67/03/01/487670301.db2.gz PJHKHXMTLOUAIH-LBPRGKRZSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCO[C@H](C[NH3+])C1 ZINC000314920151 487670354 /nfs/dbraw/zinc/67/03/54/487670354.db2.gz PJHKHXMTLOUAIH-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000492282740 229212806 /nfs/dbraw/zinc/21/28/06/229212806.db2.gz HYXPOBHTEARMFL-SREVYHEPSA-N 2 1 239.363 0.657 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402957 487703773 /nfs/dbraw/zinc/70/37/73/487703773.db2.gz BYVXWGAZGSZYRD-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000669403131 487705131 /nfs/dbraw/zinc/70/51/31/487705131.db2.gz LEKQRVAKGIUZEN-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403340 487705151 /nfs/dbraw/zinc/70/51/51/487705151.db2.gz VZEUACGBKRUULL-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000669403130 487705791 /nfs/dbraw/zinc/70/57/91/487705791.db2.gz LEKQRVAKGIUZEN-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1C[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000082648646 487707445 /nfs/dbraw/zinc/70/74/45/487707445.db2.gz RZUIDTGTQHONDC-RYUDHWBXSA-N 2 1 211.353 0.479 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000353958963 487709812 /nfs/dbraw/zinc/70/98/12/487709812.db2.gz IIUBATFTHUWFCN-NSHDSACASA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000674245419 487718617 /nfs/dbraw/zinc/71/86/17/487718617.db2.gz LXOWVDAJGQIWSH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000662824183 487723547 /nfs/dbraw/zinc/72/35/47/487723547.db2.gz ZISWUCBBVAXODS-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000226397604 487731404 /nfs/dbraw/zinc/73/14/04/487731404.db2.gz SWUVTIACBQSLTC-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP CN(C[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250428977 487732100 /nfs/dbraw/zinc/73/21/00/487732100.db2.gz QRRVDIPLRQEWPH-STQMWFEESA-N 2 1 239.363 0.143 20 0 BCADMP C[C@H](CNC(=O)CC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226398845 487734603 /nfs/dbraw/zinc/73/46/03/487734603.db2.gz XYRWBSUZCFHIGN-SECBINFHSA-N 2 1 227.352 0.713 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000250551416 487735850 /nfs/dbraw/zinc/73/58/50/487735850.db2.gz SWNXFIUPGOOLLO-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000250551416 487735851 /nfs/dbraw/zinc/73/58/51/487735851.db2.gz SWNXFIUPGOOLLO-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250787527 487739892 /nfs/dbraw/zinc/73/98/92/487739892.db2.gz YUKLHSKDBFGGAU-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1c[nH+]ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651450646 487743931 /nfs/dbraw/zinc/74/39/31/487743931.db2.gz DZHFLJIOOIETBO-GFCCVEGCSA-N 2 1 233.315 0.645 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505129 487744837 /nfs/dbraw/zinc/74/48/37/487744837.db2.gz PWMDFNKHJQEFLY-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CN(C)c1nc(NC2CC[NH2+]CC2)cc[nH+]1 ZINC000082924358 487755279 /nfs/dbraw/zinc/75/52/79/487755279.db2.gz PVZPUSZCLCUQFH-UHFFFAOYSA-N 2 1 221.308 0.707 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515587 487762340 /nfs/dbraw/zinc/76/23/40/487762340.db2.gz KNPWWHVVBOWQIH-WDEREUQCSA-N 2 1 240.351 0.132 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251605988 487775517 /nfs/dbraw/zinc/77/55/17/487775517.db2.gz DISSRFNRXALVJF-CKYFFXLPSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251605988 487775521 /nfs/dbraw/zinc/77/55/21/487775521.db2.gz DISSRFNRXALVJF-CKYFFXLPSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000251605990 487775873 /nfs/dbraw/zinc/77/58/73/487775873.db2.gz DISSRFNRXALVJF-FOGDFJRCSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000251605990 487775878 /nfs/dbraw/zinc/77/58/78/487775878.db2.gz DISSRFNRXALVJF-FOGDFJRCSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779915 /nfs/dbraw/zinc/77/99/15/487779915.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779921 /nfs/dbraw/zinc/77/99/21/487779921.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779925 /nfs/dbraw/zinc/77/99/25/487779925.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779929 /nfs/dbraw/zinc/77/99/29/487779929.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 2 1 230.352 0.143 20 0 BCADMP CC[C@@H]1C[N@@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251727337 487793031 /nfs/dbraw/zinc/79/30/31/487793031.db2.gz KFUSVCMDECNJGF-VXGBXAGGSA-N 2 1 222.336 0.942 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251798757 487797723 /nfs/dbraw/zinc/79/77/23/487797723.db2.gz LVUJZYXEWSRXGL-VWYCJHECSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251798754 487797844 /nfs/dbraw/zinc/79/78/44/487797844.db2.gz LVUJZYXEWSRXGL-OUAUKWLOSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251799366 487798396 /nfs/dbraw/zinc/79/83/96/487798396.db2.gz NZMRKIGNMPZRDQ-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1[NH3+] ZINC000251799366 487798402 /nfs/dbraw/zinc/79/84/02/487798402.db2.gz NZMRKIGNMPZRDQ-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106629 487814290 /nfs/dbraw/zinc/81/42/90/487814290.db2.gz ZHYBRKKYFWNATC-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000252583031 487826762 /nfs/dbraw/zinc/82/67/62/487826762.db2.gz WVWUAEAWLQNHQH-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000252713835 487830895 /nfs/dbraw/zinc/83/08/95/487830895.db2.gz QHKNBDVDOOMGAJ-SDDRHHMPSA-N 2 1 237.347 0.481 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)[NH3+] ZINC000834687114 587764316 /nfs/dbraw/zinc/76/43/16/587764316.db2.gz SJMGZAYAIBXBIW-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000848987548 588426484 /nfs/dbraw/zinc/42/64/84/588426484.db2.gz FPEWVIPZFXFZJA-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666627474 487847661 /nfs/dbraw/zinc/84/76/61/487847661.db2.gz FCMDHEUMUCIPEZ-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000224621782 487848851 /nfs/dbraw/zinc/84/88/51/487848851.db2.gz GKVZAFFYMNZIIH-DCAQKATOSA-N 2 1 230.377 0.788 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000224621782 487848856 /nfs/dbraw/zinc/84/88/56/487848856.db2.gz GKVZAFFYMNZIIH-DCAQKATOSA-N 2 1 230.377 0.788 20 0 BCADMP CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594873978 487852716 /nfs/dbraw/zinc/85/27/16/487852716.db2.gz YIERJSQPLOCCGB-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000226684635 487857500 /nfs/dbraw/zinc/85/75/00/487857500.db2.gz NHLOCQSWZPDVNU-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](CNC(=O)c1csc(C[NH3+])n1)[NH+](C)C ZINC000085545132 487873746 /nfs/dbraw/zinc/87/37/46/487873746.db2.gz KWGUMVWOCRICCH-SSDOTTSWSA-N 2 1 242.348 0.282 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CCOC(C)C ZINC000923378340 644392482 /nfs/dbraw/zinc/39/24/82/644392482.db2.gz HHKSBVQCTOWTLH-LBPRGKRZSA-N 2 1 232.368 0.704 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000652257673 487895058 /nfs/dbraw/zinc/89/50/58/487895058.db2.gz ZLSMRIMDKKTLFK-ZNSHCXBVSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000652257673 487895061 /nfs/dbraw/zinc/89/50/61/487895061.db2.gz ZLSMRIMDKKTLFK-ZNSHCXBVSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000669462781 487909339 /nfs/dbraw/zinc/90/93/39/487909339.db2.gz FQKHNRIEGSQXEY-RKDXNWHRSA-N 2 1 228.340 0.116 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157850228 487927067 /nfs/dbraw/zinc/92/70/67/487927067.db2.gz UDPUGIAJTPPTKU-MNOVXSKESA-N 2 1 227.352 0.583 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352366 487929639 /nfs/dbraw/zinc/92/96/39/487929639.db2.gz KYOQBFAJKVQCHZ-RYUDHWBXSA-N 3 1 227.352 0.023 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417448643 487929133 /nfs/dbraw/zinc/92/91/33/487929133.db2.gz VSQOEZSCLMWVJN-NSHDSACASA-N 2 1 244.383 0.578 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363662 487932500 /nfs/dbraw/zinc/93/25/00/487932500.db2.gz KOMNAMJLGPDRNB-WUHRBBMRSA-N 2 1 241.379 0.694 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363662 487932505 /nfs/dbraw/zinc/93/25/05/487932505.db2.gz KOMNAMJLGPDRNB-WUHRBBMRSA-N 2 1 241.379 0.694 20 0 BCADMP C[N@H+](CCOCC[NH3+])CCN1CCCCC1 ZINC000652363720 487932591 /nfs/dbraw/zinc/93/25/91/487932591.db2.gz LZLYDGVZDNGCPS-UHFFFAOYSA-N 2 1 229.368 0.379 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCN1CCCCC1 ZINC000652363720 487932595 /nfs/dbraw/zinc/93/25/95/487932595.db2.gz LZLYDGVZDNGCPS-UHFFFAOYSA-N 2 1 229.368 0.379 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000383643146 487937280 /nfs/dbraw/zinc/93/72/80/487937280.db2.gz HGYAUCJHUAKTLD-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000383643146 487937285 /nfs/dbraw/zinc/93/72/85/487937285.db2.gz HGYAUCJHUAKTLD-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000383643146 487937288 /nfs/dbraw/zinc/93/72/88/487937288.db2.gz HGYAUCJHUAKTLD-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC000383643146 487937293 /nfs/dbraw/zinc/93/72/93/487937293.db2.gz HGYAUCJHUAKTLD-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP NC(=O)C[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000676881309 487938305 /nfs/dbraw/zinc/93/83/05/487938305.db2.gz SDEUDRDUAAHZAR-LLVKDONJSA-N 2 1 236.319 0.471 20 0 BCADMP C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847053 487944012 /nfs/dbraw/zinc/94/40/12/487944012.db2.gz BZKFLIWRZAZGSG-WAAKLRNESA-N 2 1 212.337 0.972 20 0 BCADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000667158616 487949435 /nfs/dbraw/zinc/94/94/35/487949435.db2.gz CKPAUAJIZNACQF-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000677172008 487951428 /nfs/dbraw/zinc/95/14/28/487951428.db2.gz CGTNREVLCZKWIM-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000677172008 487951432 /nfs/dbraw/zinc/95/14/32/487951432.db2.gz CGTNREVLCZKWIM-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000667182328 487954445 /nfs/dbraw/zinc/95/44/45/487954445.db2.gz ZSXNBIQUDPZATB-JTQLQIEISA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000667182328 487954447 /nfs/dbraw/zinc/95/44/47/487954447.db2.gz ZSXNBIQUDPZATB-JTQLQIEISA-N 2 1 237.347 0.434 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)C(C)(C)C(N)=O ZINC000566628165 323007991 /nfs/dbraw/zinc/00/79/91/323007991.db2.gz KFKDYKJTJNEDFJ-UHFFFAOYSA-N 2 1 238.335 0.548 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)C(C)(C)C(N)=O ZINC000566628165 323007992 /nfs/dbraw/zinc/00/79/92/323007992.db2.gz KFKDYKJTJNEDFJ-UHFFFAOYSA-N 2 1 238.335 0.548 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853721 323019168 /nfs/dbraw/zinc/01/91/68/323019168.db2.gz RYWYSAVSDYUVJJ-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP COCCC[N@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000569745383 323039690 /nfs/dbraw/zinc/03/96/90/323039690.db2.gz UYDPKSGVZKUCIE-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000569745383 323039691 /nfs/dbraw/zinc/03/96/91/323039691.db2.gz UYDPKSGVZKUCIE-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CNC(=O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000570579290 323063788 /nfs/dbraw/zinc/06/37/88/323063788.db2.gz IHMUXKOEQYVQGT-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+](CCOC[C@@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682816 323066962 /nfs/dbraw/zinc/06/69/62/323066962.db2.gz ANIOOTRJWNXPJJ-STQMWFEESA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCOC[C@@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682816 323066963 /nfs/dbraw/zinc/06/69/63/323066963.db2.gz ANIOOTRJWNXPJJ-STQMWFEESA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[NH2+]CC2CC2)C1 ZINC000570725286 323068677 /nfs/dbraw/zinc/06/86/77/323068677.db2.gz RQUWZJFURIDPJT-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP COCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928628 323074510 /nfs/dbraw/zinc/07/45/10/323074510.db2.gz KQKIFOUDFQTXGP-LLVKDONJSA-N 2 1 228.336 0.320 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000040490584 323089860 /nfs/dbraw/zinc/08/98/60/323089860.db2.gz SFONRDQYIAQCBS-MXWKQRLJSA-N 2 1 227.352 0.428 20 0 BCADMP [NH3+]Cc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000567850355 323092669 /nfs/dbraw/zinc/09/26/69/323092669.db2.gz VKZHVJNJDNYYPI-VIFPVBQESA-N 2 1 218.260 0.619 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105724 323092689 /nfs/dbraw/zinc/09/26/89/323092689.db2.gz RGZBEKFHMJJLFK-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]Cc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000567850354 323092705 /nfs/dbraw/zinc/09/27/05/323092705.db2.gz VKZHVJNJDNYYPI-SECBINFHSA-N 2 1 218.260 0.619 20 0 BCADMP FC1(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563135554 323094534 /nfs/dbraw/zinc/09/45/34/323094534.db2.gz MUDFTZVORSWNFJ-LLVKDONJSA-N 2 1 227.327 0.468 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000563135154 323094580 /nfs/dbraw/zinc/09/45/80/323094580.db2.gz IELLHICJVMKEMB-IJLUTSLNSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135575 323094652 /nfs/dbraw/zinc/09/46/52/323094652.db2.gz QREZUACTUNUMRS-WOPDTQHZSA-N 3 1 211.353 0.716 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000563150661 323095570 /nfs/dbraw/zinc/09/55/70/323095570.db2.gz VDWFXAPOICNBEF-CYBMUJFWSA-N 3 1 240.395 0.095 20 0 BCADMP [NH3+]CC[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000563150661 323095571 /nfs/dbraw/zinc/09/55/71/323095571.db2.gz VDWFXAPOICNBEF-CYBMUJFWSA-N 2 1 240.395 0.095 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567891962 323097106 /nfs/dbraw/zinc/09/71/06/323097106.db2.gz ASOISRZRRGSHEF-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209694 323101946 /nfs/dbraw/zinc/10/19/46/323101946.db2.gz WKMILBXVHYCZEJ-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)COC)[C@@H](C)C1 ZINC000531711378 323111952 /nfs/dbraw/zinc/11/19/52/323111952.db2.gz VPRHVFXNIMMSFP-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH+](C)[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000563366816 323121402 /nfs/dbraw/zinc/12/14/02/323121402.db2.gz XTPRYLMJLUCMNN-AVGNSLFASA-N 2 1 241.379 0.077 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563422115 323124138 /nfs/dbraw/zinc/12/41/38/323124138.db2.gz LDOJZFFPSLIDKS-SDDRHHMPSA-N 3 1 213.369 0.820 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000563422117 323124164 /nfs/dbraw/zinc/12/41/64/323124164.db2.gz LDOJZFFPSLIDKS-TUAOUCFPSA-N 3 1 213.369 0.820 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000563422116 323124187 /nfs/dbraw/zinc/12/41/87/323124187.db2.gz LDOJZFFPSLIDKS-SRVKXCTJSA-N 3 1 213.369 0.820 20 0 BCADMP C[C@H]([NH3+])C1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000571458094 323145589 /nfs/dbraw/zinc/14/55/89/323145589.db2.gz WIJWJXGEUULJGM-QMMMGPOBSA-N 2 1 249.305 0.556 20 0 BCADMP C[C@@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900551 323151933 /nfs/dbraw/zinc/15/19/33/323151933.db2.gz DWBYTMOKSKSADM-QWHCGFSZSA-N 3 1 225.380 0.965 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C(C1CC1)C1CC1 ZINC000049234911 323159294 /nfs/dbraw/zinc/15/92/94/323159294.db2.gz MIJDHGOYMIGREN-LLVKDONJSA-N 2 1 212.337 0.687 20 0 BCADMP [NH3+]CCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000563718852 323175448 /nfs/dbraw/zinc/17/54/48/323175448.db2.gz ZRSRBYIFVKRKRK-JTQLQIEISA-N 2 1 221.308 0.312 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000391613367 323179038 /nfs/dbraw/zinc/17/90/38/323179038.db2.gz DWCKDAXZDCRMDB-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1=O ZINC000391613367 323179039 /nfs/dbraw/zinc/17/90/39/323179039.db2.gz DWCKDAXZDCRMDB-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563897341 323205544 /nfs/dbraw/zinc/20/55/44/323205544.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000563897341 323205545 /nfs/dbraw/zinc/20/55/45/323205545.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000563897341 323205546 /nfs/dbraw/zinc/20/55/46/323205546.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC(F)(F)CN)CC[N@H+]1C ZINC000563968688 323335357 /nfs/dbraw/zinc/33/53/57/323335357.db2.gz NLUBNVULLMMQND-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000563968688 323335367 /nfs/dbraw/zinc/33/53/67/323335367.db2.gz NLUBNVULLMMQND-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000563968675 323335794 /nfs/dbraw/zinc/33/57/94/323335794.db2.gz LKHGBQXHKZYSGQ-JGVFFNPUSA-N 2 1 235.278 0.214 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405864155 487961559 /nfs/dbraw/zinc/96/15/59/487961559.db2.gz OVLJEHDKFWAAAQ-IJLUTSLNSA-N 2 1 230.352 0.565 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H](C)COC)C[C@H]1C[NH3+] ZINC000405864157 487961628 /nfs/dbraw/zinc/96/16/28/487961628.db2.gz OVLJEHDKFWAAAQ-QJPTWQEYSA-N 2 1 230.352 0.565 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000529454210 324303783 /nfs/dbraw/zinc/30/37/83/324303783.db2.gz XCXYXVOFCFPNAC-NEPJUHHUSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000529454210 324303787 /nfs/dbraw/zinc/30/37/87/324303787.db2.gz XCXYXVOFCFPNAC-NEPJUHHUSA-N 2 1 248.330 0.354 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913536 487964809 /nfs/dbraw/zinc/96/48/09/487964809.db2.gz TWFQFRQWHHGTFX-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913555 487964831 /nfs/dbraw/zinc/96/48/31/487964831.db2.gz PONUEABQBSHYSK-VIFPVBQESA-N 2 1 227.352 0.713 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000083913571 487966241 /nfs/dbraw/zinc/96/62/41/487966241.db2.gz RUPBKKZHPWDJAC-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911442 325252879 /nfs/dbraw/zinc/25/28/79/325252879.db2.gz STCNJOBUEJXWHN-GRYCIOLGSA-N 2 1 237.347 0.339 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000076002352 325325567 /nfs/dbraw/zinc/32/55/67/325325567.db2.gz YEQNUQDRAUQGEH-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000076002352 325325568 /nfs/dbraw/zinc/32/55/68/325325568.db2.gz YEQNUQDRAUQGEH-CYBMUJFWSA-N 2 1 244.379 0.659 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158638973 487969787 /nfs/dbraw/zinc/96/97/87/487969787.db2.gz JLIZYVNVYCTDJS-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCn1cncn1 ZINC000566302778 326031358 /nfs/dbraw/zinc/03/13/58/326031358.db2.gz XPFXQLIUJPBPAD-SECBINFHSA-N 2 1 211.313 0.241 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000567480972 326201405 /nfs/dbraw/zinc/20/14/05/326201405.db2.gz OYKVSCNZORZJMN-QMMMGPOBSA-N 2 1 235.278 0.086 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000567486316 326202418 /nfs/dbraw/zinc/20/24/18/326202418.db2.gz FQIFGDRNNCIIIW-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000567486315 326202562 /nfs/dbraw/zinc/20/25/62/326202562.db2.gz FQIFGDRNNCIIIW-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP COC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000567606570 326228042 /nfs/dbraw/zinc/22/80/42/326228042.db2.gz UMPITGKKBJTUAE-ZYHUDNBSSA-N 2 1 228.336 0.234 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000567652877 326239371 /nfs/dbraw/zinc/23/93/71/326239371.db2.gz FCBAWFDMPVDZNE-NWDGAFQWSA-N 2 1 237.351 0.788 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000567702038 326248180 /nfs/dbraw/zinc/24/81/80/326248180.db2.gz RRYFPEJDJZOOKV-RWMBFGLXSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000567702038 326248183 /nfs/dbraw/zinc/24/81/83/326248183.db2.gz RRYFPEJDJZOOKV-RWMBFGLXSA-N 2 1 224.348 0.830 20 0 BCADMP C[NH2+]CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000567834618 326266156 /nfs/dbraw/zinc/26/61/56/326266156.db2.gz OIEUGFLLNSZSRR-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000567914675 326282996 /nfs/dbraw/zinc/28/29/96/326282996.db2.gz DVDKLIIBKNDGLO-IUCAKERBSA-N 2 1 247.289 0.194 20 0 BCADMP OCC[NH+](CCC[N@@H+](CCO)C1CC1)C1CC1 ZINC000157584396 326284994 /nfs/dbraw/zinc/28/49/94/326284994.db2.gz MVAQOIFXZFTJAM-UHFFFAOYSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[NH+](CCC[N@H+](CCO)C1CC1)C1CC1 ZINC000157584396 326284996 /nfs/dbraw/zinc/28/49/96/326284996.db2.gz MVAQOIFXZFTJAM-UHFFFAOYSA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000157774101 326295507 /nfs/dbraw/zinc/29/55/07/326295507.db2.gz MQWAQSMXWVGPHU-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC(C)(C)O ZINC000568103843 326308285 /nfs/dbraw/zinc/30/82/85/326308285.db2.gz NKDKVEOPBYWYPP-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC(C)(C)O ZINC000568103843 326308287 /nfs/dbraw/zinc/30/82/87/326308287.db2.gz NKDKVEOPBYWYPP-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000568103843 326308289 /nfs/dbraw/zinc/30/82/89/326308289.db2.gz NKDKVEOPBYWYPP-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000568103843 326308291 /nfs/dbraw/zinc/30/82/91/326308291.db2.gz NKDKVEOPBYWYPP-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000568148191 326312842 /nfs/dbraw/zinc/31/28/42/326312842.db2.gz MSOAYGSQFQHMAF-QMMMGPOBSA-N 2 1 237.294 0.460 20 0 BCADMP CNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158914940 326345710 /nfs/dbraw/zinc/34/57/10/326345710.db2.gz SJNPXSPUIODELJ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[NH2+]CCCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000568381413 326351409 /nfs/dbraw/zinc/35/14/09/326351409.db2.gz JQXZRJDUXPJRGX-STQMWFEESA-N 2 1 243.395 0.731 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568633843 326369853 /nfs/dbraw/zinc/36/98/53/326369853.db2.gz MYKOLFBFCBMSRH-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000568747939 326374665 /nfs/dbraw/zinc/37/46/65/326374665.db2.gz UUQIXSQNGMXOLW-XHNCKOQMSA-N 2 1 247.289 0.050 20 0 BCADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568867438 326380193 /nfs/dbraw/zinc/38/01/93/326380193.db2.gz XJVYLLPMMISUHI-UTLUCORTSA-N 2 1 241.360 0.002 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000569232716 326396429 /nfs/dbraw/zinc/39/64/29/326396429.db2.gz JSEZPZQBVPSFFV-ZYHUDNBSSA-N 2 1 244.404 0.950 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000569232713 326396571 /nfs/dbraw/zinc/39/65/71/326396571.db2.gz JSEZPZQBVPSFFV-CMPLNLGQSA-N 2 1 244.404 0.950 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396554970 487972919 /nfs/dbraw/zinc/97/29/19/487972919.db2.gz GFDPPAONRXSFPA-OUAUKWLOSA-N 2 1 200.326 0.999 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000677171057 487987113 /nfs/dbraw/zinc/98/71/13/487987113.db2.gz CBKXMXPHIZQKGW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000677171057 487987114 /nfs/dbraw/zinc/98/71/14/487987114.db2.gz CBKXMXPHIZQKGW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000677171057 487987118 /nfs/dbraw/zinc/98/71/18/487987118.db2.gz CBKXMXPHIZQKGW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000677171057 487987121 /nfs/dbraw/zinc/98/71/21/487987121.db2.gz CBKXMXPHIZQKGW-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682615953 488002584 /nfs/dbraw/zinc/00/25/84/488002584.db2.gz XMNSCZQQEAJPEE-FRRDWIJNSA-N 2 1 242.363 0.314 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476518 488009419 /nfs/dbraw/zinc/00/94/19/488009419.db2.gz GDTXBXRXPAQOPM-HBNTYKKESA-N 2 1 212.337 0.817 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226877397 488033753 /nfs/dbraw/zinc/03/37/53/488033753.db2.gz JLIZYVNVYCTDJS-HBNTYKKESA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499588 488047923 /nfs/dbraw/zinc/04/79/23/488047923.db2.gz YWZSAEHLEPINCY-GRZMOONWSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)C1CCC1)C1CC1 ZINC000661152655 488080636 /nfs/dbraw/zinc/08/06/36/488080636.db2.gz GJTNSEBQYYBTIV-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)C1CCC1)C1CC1 ZINC000661152655 488080616 /nfs/dbraw/zinc/08/06/16/488080616.db2.gz GJTNSEBQYYBTIV-STQMWFEESA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000257681647 488081193 /nfs/dbraw/zinc/08/11/93/488081193.db2.gz JGBLDGGDHUWYAA-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1 ZINC000257781798 488088953 /nfs/dbraw/zinc/08/89/53/488088953.db2.gz JIMHHWCVNHDMAY-CHWSQXEVSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]1CN(CC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000257781798 488088957 /nfs/dbraw/zinc/08/89/57/488088957.db2.gz JIMHHWCVNHDMAY-CHWSQXEVSA-N 2 1 225.380 0.916 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000257902529 488091844 /nfs/dbraw/zinc/09/18/44/488091844.db2.gz DSYDGJAWSUGYPN-RKDXNWHRSA-N 2 1 222.292 0.913 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000389428793 488095677 /nfs/dbraw/zinc/09/56/77/488095677.db2.gz XNCPAYGUFAVWNL-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310538626 488099604 /nfs/dbraw/zinc/09/96/04/488099604.db2.gz QAIAEYHTPNIEDW-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310538626 488099606 /nfs/dbraw/zinc/09/96/06/488099606.db2.gz QAIAEYHTPNIEDW-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310538626 488099615 /nfs/dbraw/zinc/09/96/15/488099615.db2.gz QAIAEYHTPNIEDW-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCC[NH3+] ZINC000229331228 488101063 /nfs/dbraw/zinc/10/10/63/488101063.db2.gz REYAOYIGRWOHSJ-ZETCQYMHSA-N 2 1 241.257 0.334 20 0 BCADMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCC[NH3+] ZINC000229331228 488101069 /nfs/dbraw/zinc/10/10/69/488101069.db2.gz REYAOYIGRWOHSJ-ZETCQYMHSA-N 2 1 241.257 0.334 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647348 488104495 /nfs/dbraw/zinc/10/44/95/488104495.db2.gz NAFPFLJLLPMJEW-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660586 488104792 /nfs/dbraw/zinc/10/47/92/488104792.db2.gz RNXDTKDTDJMACM-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000389692483 488105873 /nfs/dbraw/zinc/10/58/73/488105873.db2.gz AVIMBLONNBWYAJ-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000389692481 488105716 /nfs/dbraw/zinc/10/57/16/488105716.db2.gz AVIMBLONNBWYAJ-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683581 488105724 /nfs/dbraw/zinc/10/57/24/488105724.db2.gz YIXOTYYBXCSNGF-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692479 488106002 /nfs/dbraw/zinc/10/60/02/488106002.db2.gz AVIMBLONNBWYAJ-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000389730809 488109446 /nfs/dbraw/zinc/10/94/46/488109446.db2.gz JQUFVOXHZGERBL-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815011 488113013 /nfs/dbraw/zinc/11/30/13/488113013.db2.gz RQPSTXXNBCIKRV-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000675783743 488123034 /nfs/dbraw/zinc/12/30/34/488123034.db2.gz AADBLRRBXKQZRJ-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000675783761 488123052 /nfs/dbraw/zinc/12/30/52/488123052.db2.gz AADBLRRBXKQZRJ-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309749777 487540878 /nfs/dbraw/zinc/54/08/78/487540878.db2.gz GKNYJVANSAIDNV-SSDOTTSWSA-N 2 1 223.267 0.070 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000674265067 487542805 /nfs/dbraw/zinc/54/28/05/487542805.db2.gz MYGLKAZTIPWQIC-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000674265064 487542952 /nfs/dbraw/zinc/54/29/52/487542952.db2.gz MYGLKAZTIPWQIC-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297040 487543396 /nfs/dbraw/zinc/54/33/96/487543396.db2.gz YIAJXGQXLJIFQT-NWDGAFQWSA-N 2 1 235.335 0.210 20 0 BCADMP CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000220938160 487544982 /nfs/dbraw/zinc/54/49/82/487544982.db2.gz WVWUAEAWLQNHQH-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CC[NH2+]C1 ZINC000382755724 487550231 /nfs/dbraw/zinc/55/02/31/487550231.db2.gz NFBRNKNJMGOHLK-LBPRGKRZSA-N 2 1 222.336 0.815 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000674289237 487550655 /nfs/dbraw/zinc/55/06/55/487550655.db2.gz BUFRFAXMVHZXLK-NWDGAFQWSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@@H](O)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703858 487532917 /nfs/dbraw/zinc/53/29/17/487532917.db2.gz QBIQQALFSQRQDT-SNVBAGLBSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237438806 487471652 /nfs/dbraw/zinc/47/16/52/487471652.db2.gz RIAGQNPMJIUTBD-ZJUUUORDSA-N 2 1 239.363 0.855 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272088 487473329 /nfs/dbraw/zinc/47/33/29/487473329.db2.gz YPVNNIFCERKFFP-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484599 487486470 /nfs/dbraw/zinc/48/64/70/487486470.db2.gz DADCJTVNAQCXIC-VHSXEESVSA-N 2 1 202.342 0.920 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000086271495 487493369 /nfs/dbraw/zinc/49/33/69/487493369.db2.gz KRZNIQOLKGCAMM-HBNTYKKESA-N 2 1 225.336 0.195 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657973110 487496525 /nfs/dbraw/zinc/49/65/25/487496525.db2.gz BNVHLXJJEHUXAE-VXGBXAGGSA-N 2 1 240.347 0.354 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657973110 487496532 /nfs/dbraw/zinc/49/65/32/487496532.db2.gz BNVHLXJJEHUXAE-VXGBXAGGSA-N 2 1 240.347 0.354 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237637723 487497363 /nfs/dbraw/zinc/49/73/63/487497363.db2.gz RIAGQNPMJIUTBD-UWVGGRQHSA-N 2 1 239.363 0.855 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662266625 487503953 /nfs/dbraw/zinc/50/39/53/487503953.db2.gz NREQEQKXPSXYIA-MXWKQRLJSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)OC ZINC000300366936 487510961 /nfs/dbraw/zinc/51/09/61/487510961.db2.gz HNJBGWCCWDETKE-MXWKQRLJSA-N 2 1 216.325 0.459 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000379949546 488163933 /nfs/dbraw/zinc/16/39/33/488163933.db2.gz DRUHYDSCEGRASJ-JQWIXIFHSA-N 2 1 212.337 0.818 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256674 490041995 /nfs/dbraw/zinc/04/19/95/490041995.db2.gz XXJOUNGSPKIBLI-LLVKDONJSA-N 2 1 210.321 0.992 20 0 BCADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420002 487574644 /nfs/dbraw/zinc/57/46/44/487574644.db2.gz ODKBSQFBBOBMTR-MNOVXSKESA-N 2 1 229.368 0.960 20 0 BCADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420002 487574645 /nfs/dbraw/zinc/57/46/45/487574645.db2.gz ODKBSQFBBOBMTR-MNOVXSKESA-N 2 1 229.368 0.960 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771604 487728244 /nfs/dbraw/zinc/72/82/44/487728244.db2.gz UEFDBVIOKOKDBV-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000676718979 487905449 /nfs/dbraw/zinc/90/54/49/487905449.db2.gz FXBNPWPPPYZNOV-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000676718979 487905454 /nfs/dbraw/zinc/90/54/54/487905454.db2.gz FXBNPWPPPYZNOV-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000676718979 487905458 /nfs/dbraw/zinc/90/54/58/487905458.db2.gz FXBNPWPPPYZNOV-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP Nc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000647547443 487965629 /nfs/dbraw/zinc/96/56/29/487965629.db2.gz WYAOHONBGHJESY-JTQLQIEISA-N 2 1 206.293 0.491 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000393883929 488054734 /nfs/dbraw/zinc/05/47/34/488054734.db2.gz RUIZYJYXOQDFPM-SRVKXCTJSA-N 2 1 230.352 0.456 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000230774511 488156579 /nfs/dbraw/zinc/15/65/79/488156579.db2.gz XMIARCTWOMDDOW-JTQLQIEISA-N 2 1 208.309 0.243 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356979 488162946 /nfs/dbraw/zinc/16/29/46/488162946.db2.gz HGZJDUZSGMQYCK-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000669524653 488164315 /nfs/dbraw/zinc/16/43/15/488164315.db2.gz NSVFLLLKXVILCQ-LPEHRKFASA-N 2 1 240.351 0.258 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[NH+]1CCSCC1 ZINC000230937459 488174014 /nfs/dbraw/zinc/17/40/14/488174014.db2.gz DPUCEJMCBNBWJU-UHFFFAOYSA-N 2 1 245.392 0.149 20 0 BCADMP Cc1ncc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1C ZINC000668007728 488182764 /nfs/dbraw/zinc/18/27/64/488182764.db2.gz CLKSVYREUCXCCA-NSHDSACASA-N 2 1 246.318 0.767 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322830116 488197024 /nfs/dbraw/zinc/19/70/24/488197024.db2.gz GEGJXZVHXZLNKE-OFLUOSHYSA-N 2 1 225.336 0.323 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398086839 488209498 /nfs/dbraw/zinc/20/94/98/488209498.db2.gz VJNLUTOTHYXCOC-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP C[N@@H+](CCC1CCC1)CC(=O)N1CC[NH2+]CC1 ZINC000398622895 488220705 /nfs/dbraw/zinc/22/07/05/488220705.db2.gz GJKFANCOJJNDCS-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227513 /nfs/dbraw/zinc/22/75/13/488227513.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227516 /nfs/dbraw/zinc/22/75/16/488227516.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227520 /nfs/dbraw/zinc/22/75/20/488227520.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227523 /nfs/dbraw/zinc/22/75/23/488227523.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227526 /nfs/dbraw/zinc/22/75/26/488227526.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399220376 488227530 /nfs/dbraw/zinc/22/75/30/488227530.db2.gz ITEBPYMQMPMSNV-WOPDTQHZSA-N 2 1 230.352 0.144 20 0 BCADMP c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000678349822 488244988 /nfs/dbraw/zinc/24/49/88/488244988.db2.gz NLDVVCBOVMLQDB-ZDUSSCGKSA-N 2 1 233.315 0.993 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC000672250511 488248157 /nfs/dbraw/zinc/24/81/57/488248157.db2.gz ZBQHODYRGOKPKD-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684570492 488328352 /nfs/dbraw/zinc/32/83/52/488328352.db2.gz UKQOXIFHEDLZKD-UHFFFAOYSA-N 2 1 234.303 0.079 20 0 BCADMP NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684570492 488328353 /nfs/dbraw/zinc/32/83/53/488328353.db2.gz UKQOXIFHEDLZKD-UHFFFAOYSA-N 2 1 234.303 0.079 20 0 BCADMP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000236203101 490192510 /nfs/dbraw/zinc/19/25/10/490192510.db2.gz WAEQMJVOAXDCFZ-MCIGGMRASA-N 3 1 211.353 0.988 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000396045093 490353386 /nfs/dbraw/zinc/35/33/86/490353386.db2.gz ZAIQOZKCAVUDBB-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000396045093 490353393 /nfs/dbraw/zinc/35/33/93/490353393.db2.gz ZAIQOZKCAVUDBB-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC000396045093 490353399 /nfs/dbraw/zinc/35/33/99/490353399.db2.gz ZAIQOZKCAVUDBB-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1COC ZINC000396045093 490353403 /nfs/dbraw/zinc/35/34/03/490353403.db2.gz ZAIQOZKCAVUDBB-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000130673036 490443962 /nfs/dbraw/zinc/44/39/62/490443962.db2.gz ZWSRYWUTIITEOR-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000131006935 490467699 /nfs/dbraw/zinc/46/76/99/490467699.db2.gz TXMFKVOEKPZTEA-STQMWFEESA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCC[NH3+] ZINC000229331215 491119427 /nfs/dbraw/zinc/11/94/27/491119427.db2.gz REYAOYIGRWOHSJ-SSDOTTSWSA-N 2 1 241.257 0.334 20 0 BCADMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCC[NH3+] ZINC000229331215 491119428 /nfs/dbraw/zinc/11/94/28/491119428.db2.gz REYAOYIGRWOHSJ-SSDOTTSWSA-N 2 1 241.257 0.334 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629531242 491078247 /nfs/dbraw/zinc/07/82/47/491078247.db2.gz FQDIUCCZCQCSOY-KBPBESRZSA-N 3 1 249.358 0.957 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491849943 491080901 /nfs/dbraw/zinc/08/09/01/491080901.db2.gz XALZESZJGYBWOV-DLRQAJBASA-N 2 1 237.347 0.457 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000049559650 491128817 /nfs/dbraw/zinc/12/88/17/491128817.db2.gz IIUHVPMDWRTBKN-BDAKNGLRSA-N 2 1 231.365 0.105 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909561 533901997 /nfs/dbraw/zinc/90/19/97/533901997.db2.gz GGWIHFYJGSBZLQ-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP Cc1cc(N)nc(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000892028090 582765081 /nfs/dbraw/zinc/76/50/81/582765081.db2.gz KQGLNKTVSNOKEL-MRVPVSSYSA-N 2 1 209.297 0.729 20 0 BCADMP C[N@@H+](CCCO)C[C@H]1CCC[NH+](C)C1 ZINC000259156326 536358351 /nfs/dbraw/zinc/35/83/51/536358351.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP C[NH+](CCCO)C[C@H]1CCC[N@H+](C)C1 ZINC000259156326 536358353 /nfs/dbraw/zinc/35/83/53/536358353.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP C[NH+](CCCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000259156326 536358355 /nfs/dbraw/zinc/35/83/55/536358355.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494681294 528495108 /nfs/dbraw/zinc/49/51/08/528495108.db2.gz KLFUMUDNVRYOQQ-GRYCIOLGSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000494692932 528499943 /nfs/dbraw/zinc/49/99/43/528499943.db2.gz WGDRWWUYLKZHQC-JBLDHEPKSA-N 2 1 239.363 0.711 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261693640 534955541 /nfs/dbraw/zinc/95/55/41/534955541.db2.gz BPTKENIVIVJFSF-LLVKDONJSA-N 2 1 224.352 0.657 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000262127005 535046252 /nfs/dbraw/zinc/04/62/52/535046252.db2.gz XUBMWNYRMDKBGU-LBPRGKRZSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000262127005 535046259 /nfs/dbraw/zinc/04/62/59/535046259.db2.gz XUBMWNYRMDKBGU-LBPRGKRZSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000252689931 535064624 /nfs/dbraw/zinc/06/46/24/535064624.db2.gz SRBHCMIVFWRGJX-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000252689931 535064629 /nfs/dbraw/zinc/06/46/29/535064629.db2.gz SRBHCMIVFWRGJX-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261571997 535115491 /nfs/dbraw/zinc/11/54/91/535115491.db2.gz HYIQAPIZJDBAPC-JQWIXIFHSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261571997 535115497 /nfs/dbraw/zinc/11/54/97/535115497.db2.gz HYIQAPIZJDBAPC-JQWIXIFHSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000168724335 535130223 /nfs/dbraw/zinc/13/02/23/535130223.db2.gz CNRKVBWQFYTQAV-LBPRGKRZSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223646839 535160660 /nfs/dbraw/zinc/16/06/60/535160660.db2.gz ZSEGQNVXHALTGD-QJPTWQEYSA-N 2 1 214.353 0.933 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000261549453 535189263 /nfs/dbraw/zinc/18/92/63/535189263.db2.gz OOUKLBNXNJCQHR-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000336092479 535216165 /nfs/dbraw/zinc/21/61/65/535216165.db2.gz BJMUSCBTBQXXRK-LLVKDONJSA-N 2 1 227.352 0.347 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000336092479 535216170 /nfs/dbraw/zinc/21/61/70/535216170.db2.gz BJMUSCBTBQXXRK-LLVKDONJSA-N 2 1 227.352 0.347 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566898 535434624 /nfs/dbraw/zinc/43/46/24/535434624.db2.gz DSGKKXPCLXYLOK-LBPRGKRZSA-N 2 1 227.352 0.526 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566898 535434626 /nfs/dbraw/zinc/43/46/26/535434626.db2.gz DSGKKXPCLXYLOK-LBPRGKRZSA-N 2 1 227.352 0.526 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH+](CC)CC1 ZINC000063650190 535490112 /nfs/dbraw/zinc/49/01/12/535490112.db2.gz JYESFMTYVVEZEX-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167326644 535506843 /nfs/dbraw/zinc/50/68/43/535506843.db2.gz BCJDSSFXBIFODY-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845289 535565310 /nfs/dbraw/zinc/56/53/10/535565310.db2.gz JADMSRAGWPDHEP-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000334294524 535633897 /nfs/dbraw/zinc/63/38/97/535633897.db2.gz TZUHMBIEZXKSNG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000334294524 535633900 /nfs/dbraw/zinc/63/39/00/535633900.db2.gz TZUHMBIEZXKSNG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000334294524 535633903 /nfs/dbraw/zinc/63/39/03/535633903.db2.gz TZUHMBIEZXKSNG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000335953736 535634120 /nfs/dbraw/zinc/63/41/20/535634120.db2.gz HHBHLTSUKMZUQN-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000335953736 535634122 /nfs/dbraw/zinc/63/41/22/535634122.db2.gz HHBHLTSUKMZUQN-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000335953736 535634125 /nfs/dbraw/zinc/63/41/25/535634125.db2.gz HHBHLTSUKMZUQN-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000335953736 535634128 /nfs/dbraw/zinc/63/41/28/535634128.db2.gz HHBHLTSUKMZUQN-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335939360 535942485 /nfs/dbraw/zinc/94/24/85/535942485.db2.gz FLAFIJACXINVNH-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657960 536371643 /nfs/dbraw/zinc/37/16/43/536371643.db2.gz SKMCYAZBDLNUEX-WDEREUQCSA-N 2 1 240.351 0.132 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000227712940 536854357 /nfs/dbraw/zinc/85/43/57/536854357.db2.gz LWSFPRUUYGJDQF-UPJWGTAASA-N 2 1 242.363 0.864 20 0 BCADMP C[NH+](C)CCOCC[NH2+]Cc1nccs1 ZINC000231676772 566313464 /nfs/dbraw/zinc/31/34/64/566313464.db2.gz RWACXFIIUFQMDJ-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP CO[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000894006565 583270100 /nfs/dbraw/zinc/27/01/00/583270100.db2.gz ATFIXTLEMCLSHJ-BETUJISGSA-N 2 1 242.363 0.674 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@]12C[C@H]1C[NH2+]C2 ZINC000853245245 588728644 /nfs/dbraw/zinc/72/86/44/588728644.db2.gz JAHOKGBBCAPDLJ-APYLGABCSA-N 3 1 235.375 0.940 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@]12C[C@H]1C[NH2+]C2 ZINC000853245245 588728645 /nfs/dbraw/zinc/72/86/45/588728645.db2.gz JAHOKGBBCAPDLJ-APYLGABCSA-N 3 1 235.375 0.940 20 0 BCADMP CONC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000854003105 588771076 /nfs/dbraw/zinc/77/10/76/588771076.db2.gz YAQHBOXPQUOFDW-JTQLQIEISA-N 2 1 246.355 0.119 20 0 BCADMP CONC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000854003105 588771077 /nfs/dbraw/zinc/77/10/77/588771077.db2.gz YAQHBOXPQUOFDW-JTQLQIEISA-N 2 1 246.355 0.119 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH2+]CC ZINC000854013679 588771885 /nfs/dbraw/zinc/77/18/85/588771885.db2.gz BQHJUCQJTXJRBO-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000892207139 582807667 /nfs/dbraw/zinc/80/76/67/582807667.db2.gz FKWOGAXIVSUONJ-NSHDSACASA-N 2 1 241.379 0.642 20 0 BCADMP CCNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000848987471 582818195 /nfs/dbraw/zinc/81/81/95/582818195.db2.gz AAANMCQFSRCXMH-JTQLQIEISA-N 2 1 212.341 0.995 20 0 BCADMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022749 582829025 /nfs/dbraw/zinc/82/90/25/582829025.db2.gz VQUNBPBKOQARMS-NSHDSACASA-N 2 1 242.367 0.573 20 0 BCADMP CNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849022464 582829219 /nfs/dbraw/zinc/82/92/19/582829219.db2.gz BRCMLOSDJCEZBN-JTQLQIEISA-N 2 1 228.340 0.231 20 0 BCADMP CCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041665 582839195 /nfs/dbraw/zinc/83/91/95/582839195.db2.gz VDDZTGYSIRKSKV-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP Cc1cc(N)nc(N2CC[C@@H]([NH+]3CC=CC3)C2)[nH+]1 ZINC000892678508 582951539 /nfs/dbraw/zinc/95/15/39/582951539.db2.gz BGYKNFRWOKPPAA-LLVKDONJSA-N 2 1 245.330 0.818 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000399127151 583170544 /nfs/dbraw/zinc/17/05/44/583170544.db2.gz TUMRLVRVMIOUOP-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000857102793 588887920 /nfs/dbraw/zinc/88/79/20/588887920.db2.gz NKJKTMBQHJTQEU-AXFHLTTASA-N 2 1 242.367 0.506 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877250391 583305094 /nfs/dbraw/zinc/30/50/94/583305094.db2.gz PNHQDZOKQAUEJF-WISYIIOYSA-N 2 1 237.347 0.276 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000726131039 583339209 /nfs/dbraw/zinc/33/92/09/583339209.db2.gz PHNLSRBZIREPSG-UHFFFAOYSA-N 2 1 246.424 0.352 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582068 583440660 /nfs/dbraw/zinc/44/06/60/583440660.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582068 583440664 /nfs/dbraw/zinc/44/06/64/583440664.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582068 583440666 /nfs/dbraw/zinc/44/06/66/583440666.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472516 /nfs/dbraw/zinc/47/25/16/583472516.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 1 238.331 0.861 20 0 BCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC(=O)O1 ZINC000880140944 583472517 /nfs/dbraw/zinc/47/25/17/583472517.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 1 238.331 0.861 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC(=O)O1 ZINC000880140944 583472520 /nfs/dbraw/zinc/47/25/20/583472520.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 1 238.331 0.861 20 0 BCADMP Cc1ccnc(N)c1C[N@H+](C)[C@H](C)CO ZINC000894770414 583516607 /nfs/dbraw/zinc/51/66/07/583516607.db2.gz MNCPEPRNKNOTMM-SECBINFHSA-N 2 1 209.293 0.785 20 0 BCADMP Cc1ccnc(N)c1CN(C)[C@H](C)CO ZINC000894770414 583516609 /nfs/dbraw/zinc/51/66/09/583516609.db2.gz MNCPEPRNKNOTMM-SECBINFHSA-N 2 1 209.293 0.785 20 0 BCADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1COCO1 ZINC000894886983 583546689 /nfs/dbraw/zinc/54/66/89/583546689.db2.gz YIQXPPMALASEHS-GFCCVEGCSA-N 2 1 226.320 0.576 20 0 BCADMP CC(=O)N[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894973554 583561645 /nfs/dbraw/zinc/56/16/45/583561645.db2.gz UMQUOSJBTUOCBM-ZDUSSCGKSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+](C)C ZINC000895681344 583709208 /nfs/dbraw/zinc/70/92/08/583709208.db2.gz QXAWJLWWGDJWLV-WDEREUQCSA-N 2 1 241.379 0.926 20 0 BCADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000895766907 583719983 /nfs/dbraw/zinc/71/99/83/583719983.db2.gz GXKWHUZUXKCWDS-NSHDSACASA-N 2 1 207.277 0.690 20 0 BCADMP CN(C)c1ccnc(NC[C@@H]2CCN2C)n1 ZINC000895771856 583724750 /nfs/dbraw/zinc/72/47/50/583724750.db2.gz RAOWZLLJAGGMNF-VIFPVBQESA-N 2 1 221.308 0.659 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000896023326 583764504 /nfs/dbraw/zinc/76/45/04/583764504.db2.gz ZYFQGHBNLKMYAN-VXGBXAGGSA-N 2 1 210.321 0.395 20 0 BCADMP CC[N@@H+](CCC(N)=O)CC1CC[NH+](C)CC1 ZINC000896706325 583823353 /nfs/dbraw/zinc/82/33/53/583823353.db2.gz BWXUXOXAHQBOMX-UHFFFAOYSA-N 2 1 227.352 0.526 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@@H](OC)C1CC1)C[NH+](C)C ZINC000896876250 583844161 /nfs/dbraw/zinc/84/41/61/583844161.db2.gz CNHJURCBZOHIMO-QWHCGFSZSA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+]C[C@@H](C)COC)C[NH+](C)C ZINC000896880180 583845567 /nfs/dbraw/zinc/84/55/67/583845567.db2.gz PZRVBSCRRITYSB-VXGBXAGGSA-N 2 1 232.368 0.825 20 0 BCADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000897168208 583888129 /nfs/dbraw/zinc/88/81/29/583888129.db2.gz GALFQOJULKUIPG-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000897168208 583888131 /nfs/dbraw/zinc/88/81/31/583888131.db2.gz GALFQOJULKUIPG-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897297551 583911464 /nfs/dbraw/zinc/91/14/64/583911464.db2.gz JAQPXBKHQBURAP-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897297551 583911465 /nfs/dbraw/zinc/91/14/65/583911465.db2.gz JAQPXBKHQBURAP-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897297551 583911467 /nfs/dbraw/zinc/91/14/67/583911467.db2.gz JAQPXBKHQBURAP-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897297551 583911468 /nfs/dbraw/zinc/91/14/68/583911468.db2.gz JAQPXBKHQBURAP-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000897667649 584035459 /nfs/dbraw/zinc/03/54/59/584035459.db2.gz SGGDAVONSYCOKR-JPPWEJMLSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897760224 584044554 /nfs/dbraw/zinc/04/45/54/584044554.db2.gz KJHAMTLBDMATEW-WDEREUQCSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897845450 584054159 /nfs/dbraw/zinc/05/41/59/584054159.db2.gz QJQISWSHBAUOTO-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000898183781 584093326 /nfs/dbraw/zinc/09/33/26/584093326.db2.gz NEARCJXDTIOYIC-RYUDHWBXSA-N 2 1 230.327 0.733 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000898183780 584093363 /nfs/dbraw/zinc/09/33/63/584093363.db2.gz NEARCJXDTIOYIC-NWDGAFQWSA-N 2 1 230.327 0.733 20 0 BCADMP Nc1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000873213352 584127170 /nfs/dbraw/zinc/12/71/70/584127170.db2.gz WFDAYWADWKESPM-IUCAKERBSA-N 2 1 221.308 0.418 20 0 BCADMP OCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000858481831 588959100 /nfs/dbraw/zinc/95/91/00/588959100.db2.gz LEPPBFKZYGQRRV-ZDUSSCGKSA-N 2 1 249.314 0.095 20 0 BCADMP OCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000858481831 588959101 /nfs/dbraw/zinc/95/91/01/588959101.db2.gz LEPPBFKZYGQRRV-ZDUSSCGKSA-N 2 1 249.314 0.095 20 0 BCADMP CON(C)C(=O)[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858580033 588968783 /nfs/dbraw/zinc/96/87/83/588968783.db2.gz VVVCLZBORGFMBM-DCAQKATOSA-N 2 1 243.351 0.467 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899909636 584250536 /nfs/dbraw/zinc/25/05/36/584250536.db2.gz FWALQQWNWVDECT-NSHDSACASA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000899919609 584252571 /nfs/dbraw/zinc/25/25/71/584252571.db2.gz CGDFWKGFEPVINY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900305728 584293445 /nfs/dbraw/zinc/29/34/45/584293445.db2.gz LFAFQVJSVYCOTK-NSHDSACASA-N 2 1 237.347 0.150 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC000900695478 584338697 /nfs/dbraw/zinc/33/86/97/584338697.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 1 222.292 0.163 20 0 BCADMP C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC000900695478 584338699 /nfs/dbraw/zinc/33/86/99/584338699.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 1 222.292 0.163 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC000900695478 584338700 /nfs/dbraw/zinc/33/87/00/584338700.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 1 222.292 0.163 20 0 BCADMP C[N@@H+](CC(=O)N1CC[NH2+]C(C)(C)C1)C1CCC1 ZINC000900938338 584367159 /nfs/dbraw/zinc/36/71/59/584367159.db2.gz TVXNJTFKYINUFE-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000902394405 584584756 /nfs/dbraw/zinc/58/47/56/584584756.db2.gz VTKWWUYHGCYPKK-LLVKDONJSA-N 3 1 211.353 0.574 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000902402077 584587743 /nfs/dbraw/zinc/58/77/43/584587743.db2.gz AOWDITDCZUELGX-NXEZZACHSA-N 2 1 213.325 0.258 20 0 BCADMP C[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000902403594 584587939 /nfs/dbraw/zinc/58/79/39/584587939.db2.gz ADXBKRRBSLLXCP-GRYCIOLGSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H]([NH2+]CC1(N)CC1)C1CC[NH+](C)CC1 ZINC000902416416 584590707 /nfs/dbraw/zinc/59/07/07/584590707.db2.gz NVZFMHWMLSRCBF-JTQLQIEISA-N 2 1 211.353 0.798 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000902443936 584598525 /nfs/dbraw/zinc/59/85/25/584598525.db2.gz MORUHBFXKQGYDY-ILDUYXDCSA-N 2 1 212.337 0.878 20 0 BCADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000902413510 584599606 /nfs/dbraw/zinc/59/96/06/584599606.db2.gz NFCCIPYWJKQMJF-WDEREUQCSA-N 2 1 209.337 0.694 20 0 BCADMP NOCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000902415004 584601035 /nfs/dbraw/zinc/60/10/35/584601035.db2.gz JDYDBGGWUJPWBH-UHFFFAOYSA-N 2 1 213.325 0.483 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474652 584602200 /nfs/dbraw/zinc/60/22/00/584602200.db2.gz HGLIZGVUWGEIHH-DKUYFVBVSA-N 2 1 235.375 0.952 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902447255 584604706 /nfs/dbraw/zinc/60/47/06/584604706.db2.gz XOMKJMYJSBTVEL-XQHKEYJVSA-N 2 1 237.391 0.962 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452121 584607445 /nfs/dbraw/zinc/60/74/45/584607445.db2.gz IVYWIOMIVUMCKG-KPXOBLAASA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902454057 584608588 /nfs/dbraw/zinc/60/85/88/584608588.db2.gz FBDXBZFUJOLEDL-DTWKUNHWSA-N 2 1 226.324 0.644 20 0 BCADMP CC1(C)CC[N@@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000902456610 584610137 /nfs/dbraw/zinc/61/01/37/584610137.db2.gz OZWVMWKQRJQEHC-LBPRGKRZSA-N 2 1 241.379 0.296 20 0 BCADMP Cn1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000902461008 584611522 /nfs/dbraw/zinc/61/15/22/584611522.db2.gz KIOLXTXMYLXIPX-UWVGGRQHSA-N 2 1 208.309 0.780 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000902512594 584623062 /nfs/dbraw/zinc/62/30/62/584623062.db2.gz ASWIYQCGVUDCSR-VWYCJHECSA-N 2 1 216.325 0.114 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468823 584615541 /nfs/dbraw/zinc/61/55/41/584615541.db2.gz WLEXWXLZWBQQLX-NOOOWODRSA-N 3 1 227.352 0.223 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)(C)n1cncn1 ZINC000902469210 584615585 /nfs/dbraw/zinc/61/55/85/584615585.db2.gz ZBXGXGMRGPMWRZ-WHOHXGKFSA-N 2 1 249.362 0.884 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503195 584620592 /nfs/dbraw/zinc/62/05/92/584620592.db2.gz HPABHAQYBQINPG-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902501409 584620765 /nfs/dbraw/zinc/62/07/65/584620765.db2.gz AYWCSDYLIXIEDA-JLLWLGSASA-N 2 1 212.337 0.735 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902501408 584621005 /nfs/dbraw/zinc/62/10/05/584621005.db2.gz AYWCSDYLIXIEDA-ADEWGFFLSA-N 2 1 212.337 0.735 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481603 584624358 /nfs/dbraw/zinc/62/43/58/584624358.db2.gz FNIAIDMPHYVKDF-OLZOCXBDSA-N 3 1 243.395 0.862 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000903432844 584762317 /nfs/dbraw/zinc/76/23/17/584762317.db2.gz NJUBYBQWBFUSFY-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000903432844 584762318 /nfs/dbraw/zinc/76/23/18/584762318.db2.gz NJUBYBQWBFUSFY-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000903459262 584765885 /nfs/dbraw/zinc/76/58/85/584765885.db2.gz FOZGXSRPPWNFCI-XQQFMLRXSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000903459262 584765887 /nfs/dbraw/zinc/76/58/87/584765887.db2.gz FOZGXSRPPWNFCI-XQQFMLRXSA-N 2 1 223.364 0.942 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460843 584766411 /nfs/dbraw/zinc/76/64/11/584766411.db2.gz JTOPBZDNRNYUEG-WHOHXGKFSA-N 3 1 211.353 0.925 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464909 584767306 /nfs/dbraw/zinc/76/73/06/584767306.db2.gz ZOENCKIJKKNECR-LOWDOPEQSA-N 3 1 223.364 0.927 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464909 584767309 /nfs/dbraw/zinc/76/73/09/584767309.db2.gz ZOENCKIJKKNECR-LOWDOPEQSA-N 2 1 223.364 0.927 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464909 584767311 /nfs/dbraw/zinc/76/73/11/584767311.db2.gz ZOENCKIJKKNECR-LOWDOPEQSA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464912 584767642 /nfs/dbraw/zinc/76/76/42/584767642.db2.gz ZOENCKIJKKNECR-RVMXOQNASA-N 3 1 223.364 0.927 20 0 BCADMP N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464912 584767643 /nfs/dbraw/zinc/76/76/43/584767643.db2.gz ZOENCKIJKKNECR-RVMXOQNASA-N 2 1 223.364 0.927 20 0 BCADMP N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464912 584767644 /nfs/dbraw/zinc/76/76/44/584767644.db2.gz ZOENCKIJKKNECR-RVMXOQNASA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452337 584772180 /nfs/dbraw/zinc/77/21/80/584772180.db2.gz LEFFVKOBVBAOMV-UMSGYPCISA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452337 584772182 /nfs/dbraw/zinc/77/21/82/584772182.db2.gz LEFFVKOBVBAOMV-UMSGYPCISA-N 2 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452334 584772354 /nfs/dbraw/zinc/77/23/54/584772354.db2.gz LEFFVKOBVBAOMV-LOWDOPEQSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452334 584772355 /nfs/dbraw/zinc/77/23/55/584772355.db2.gz LEFFVKOBVBAOMV-LOWDOPEQSA-N 2 1 223.364 0.798 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454846 584773120 /nfs/dbraw/zinc/77/31/20/584773120.db2.gz KSYOMYZVIHGZAB-AXFHLTTASA-N 2 1 228.336 0.855 20 0 BCADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)C[NH3+] ZINC000903454243 584773154 /nfs/dbraw/zinc/77/31/54/584773154.db2.gz YADMXQACALPFCZ-GFCCVEGCSA-N 2 1 233.315 0.919 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000903454783 584773601 /nfs/dbraw/zinc/77/36/01/584773601.db2.gz JRUFEDWLZCUCCJ-GRYCIOLGSA-N 3 1 225.380 0.820 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455997 584773858 /nfs/dbraw/zinc/77/38/58/584773858.db2.gz BALOSHLQFKFQKX-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000903457085 584773863 /nfs/dbraw/zinc/77/38/63/584773863.db2.gz MYACMCYNTCBMBA-GRYCIOLGSA-N 2 1 235.335 0.380 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455341 584774220 /nfs/dbraw/zinc/77/42/20/584774220.db2.gz UPUZDBHZFNKGAI-WOPDTQHZSA-N 2 1 240.347 0.869 20 0 BCADMP COC[C@@]1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473944 584776619 /nfs/dbraw/zinc/77/66/19/584776619.db2.gz CLLLIVIPMSMUML-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@@]1(C)C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903474668 584776663 /nfs/dbraw/zinc/77/66/63/584776663.db2.gz OYHAKBVMGARKME-FRRDWIJNSA-N 2 1 242.363 0.579 20 0 BCADMP COC[C@@]1(C)C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903474668 584776664 /nfs/dbraw/zinc/77/66/64/584776664.db2.gz OYHAKBVMGARKME-FRRDWIJNSA-N 2 1 242.363 0.579 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474961 584776778 /nfs/dbraw/zinc/77/67/78/584776778.db2.gz WMGDAYIMJWZGSL-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482202 584778906 /nfs/dbraw/zinc/77/89/06/584778906.db2.gz ZFYJNFPKVVOCND-WOPDTQHZSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482202 584778907 /nfs/dbraw/zinc/77/89/07/584778907.db2.gz ZFYJNFPKVVOCND-WOPDTQHZSA-N 2 1 241.379 0.674 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494306 584780752 /nfs/dbraw/zinc/78/07/52/584780752.db2.gz BOAAAEKTUWGPDE-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP Cc1nc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)no1 ZINC000903491057 584780931 /nfs/dbraw/zinc/78/09/31/584780931.db2.gz SZIKUKRUGHMZDG-WDEREUQCSA-N 2 1 236.319 0.777 20 0 BCADMP Cc1nc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)no1 ZINC000903491057 584780932 /nfs/dbraw/zinc/78/09/32/584780932.db2.gz SZIKUKRUGHMZDG-WDEREUQCSA-N 2 1 236.319 0.777 20 0 BCADMP C[C@]1([C@H]2CCC[N@@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560812 584782354 /nfs/dbraw/zinc/78/23/54/584782354.db2.gz AUUFECPIKWUKEC-CMPLNLGQSA-N 2 1 241.335 0.546 20 0 BCADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1N ZINC000903556985 584783029 /nfs/dbraw/zinc/78/30/29/584783029.db2.gz JBMZWQQVHAOTRK-MNOVXSKESA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556985 584783030 /nfs/dbraw/zinc/78/30/30/584783030.db2.gz JBMZWQQVHAOTRK-MNOVXSKESA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556985 584783031 /nfs/dbraw/zinc/78/30/31/584783031.db2.gz JBMZWQQVHAOTRK-MNOVXSKESA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556985 584783032 /nfs/dbraw/zinc/78/30/32/584783032.db2.gz JBMZWQQVHAOTRK-MNOVXSKESA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+]CCN(CC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000903573831 584784248 /nfs/dbraw/zinc/78/42/48/584784248.db2.gz MKDZIJFGGRSQSS-ZDUSSCGKSA-N 2 1 243.395 0.637 20 0 BCADMP C[NH2+]CCN(CC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000903573831 584784249 /nfs/dbraw/zinc/78/42/49/584784249.db2.gz MKDZIJFGGRSQSS-ZDUSSCGKSA-N 2 1 243.395 0.637 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716415 584791843 /nfs/dbraw/zinc/79/18/43/584791843.db2.gz MOGABGYLDVHWRL-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716415 584791844 /nfs/dbraw/zinc/79/18/44/584791844.db2.gz MOGABGYLDVHWRL-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718087 584792114 /nfs/dbraw/zinc/79/21/14/584792114.db2.gz ZJSMRKMVKGXEHU-VXGBXAGGSA-N 3 1 227.352 0.036 20 0 BCADMP CN(CCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718087 584792115 /nfs/dbraw/zinc/79/21/15/584792115.db2.gz ZJSMRKMVKGXEHU-VXGBXAGGSA-N 2 1 227.352 0.036 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732293 584792966 /nfs/dbraw/zinc/79/29/66/584792966.db2.gz FARSQWKPVZIEAJ-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712937 584793554 /nfs/dbraw/zinc/79/35/54/584793554.db2.gz VPNAACSISLSICX-WDEREUQCSA-N 2 1 216.300 0.391 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000903716194 584794148 /nfs/dbraw/zinc/79/41/48/584794148.db2.gz IUEMKZHMRCDOGL-OUAUKWLOSA-N 2 1 226.320 0.466 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cnn(CCF)c1 ZINC000903769507 584797913 /nfs/dbraw/zinc/79/79/13/584797913.db2.gz HYVKNXJSQDWUCR-UHFFFAOYSA-N 2 1 244.314 0.260 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755424 584798613 /nfs/dbraw/zinc/79/86/13/584798613.db2.gz GYRVHRMEWKGYSM-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903781874 584799622 /nfs/dbraw/zinc/79/96/22/584799622.db2.gz WNRCJDDQOSGQBC-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903781874 584799623 /nfs/dbraw/zinc/79/96/23/584799623.db2.gz WNRCJDDQOSGQBC-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785504 584800487 /nfs/dbraw/zinc/80/04/87/584800487.db2.gz ZOMZHRSFTHTGBK-FRRDWIJNSA-N 2 1 240.347 0.212 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])OC ZINC000903799916 584801296 /nfs/dbraw/zinc/80/12/96/584801296.db2.gz FOSPDKIHXXGHIK-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])OC ZINC000903799916 584801298 /nfs/dbraw/zinc/80/12/98/584801298.db2.gz FOSPDKIHXXGHIK-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813228 584803243 /nfs/dbraw/zinc/80/32/43/584803243.db2.gz ZIVZNKSPXODRED-JTQLQIEISA-N 2 1 225.336 0.455 20 0 BCADMP NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813228 584803244 /nfs/dbraw/zinc/80/32/44/584803244.db2.gz ZIVZNKSPXODRED-JTQLQIEISA-N 2 1 225.336 0.455 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903829611 584805441 /nfs/dbraw/zinc/80/54/41/584805441.db2.gz IIBXPDGVAUUPTE-QWHCGFSZSA-N 2 1 242.363 0.995 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H]3COCC[C@@H]32)C1 ZINC000903829755 584805541 /nfs/dbraw/zinc/80/55/41/584805541.db2.gz JNYPJOXSOHDGPW-QNWHQSFQSA-N 2 1 240.347 0.604 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829146 584805547 /nfs/dbraw/zinc/80/55/47/584805547.db2.gz AUYQVYOJDBYYOS-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903829398 584805594 /nfs/dbraw/zinc/80/55/94/584805594.db2.gz FTXJNPUNIWUGQM-MROQNXINSA-N 2 1 240.347 0.332 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903829398 584805595 /nfs/dbraw/zinc/80/55/95/584805595.db2.gz FTXJNPUNIWUGQM-MROQNXINSA-N 2 1 240.347 0.332 20 0 BCADMP C[C@@H]1CSCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903829389 584805808 /nfs/dbraw/zinc/80/58/08/584805808.db2.gz FQEDSPQLXKTIPM-GFCCVEGCSA-N 2 1 243.420 0.719 20 0 BCADMP COCC[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000903837218 584806527 /nfs/dbraw/zinc/80/65/27/584806527.db2.gz FXYMLLIIVHCVBH-ZDUSSCGKSA-N 2 1 243.395 0.816 20 0 BCADMP COCC[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000903837218 584806528 /nfs/dbraw/zinc/80/65/28/584806528.db2.gz FXYMLLIIVHCVBH-ZDUSSCGKSA-N 2 1 243.395 0.816 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc[nH]n1)C2 ZINC000903840383 584806952 /nfs/dbraw/zinc/80/69/52/584806952.db2.gz QGFUVMNOEQQZQE-QXEWZRGKSA-N 2 1 206.293 0.721 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc[nH]n1)C2 ZINC000903840383 584806954 /nfs/dbraw/zinc/80/69/54/584806954.db2.gz QGFUVMNOEQQZQE-QXEWZRGKSA-N 2 1 206.293 0.721 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000903844031 584807570 /nfs/dbraw/zinc/80/75/70/584807570.db2.gz ZULHLLYEXIROOH-XSPKLOCKSA-N 2 1 238.253 0.721 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903843364 584807698 /nfs/dbraw/zinc/80/76/98/584807698.db2.gz JKWOURWODYQSKZ-AVGNSLFASA-N 3 1 223.364 0.798 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903854844 584809429 /nfs/dbraw/zinc/80/94/29/584809429.db2.gz KSFBYCJFUFOONM-STQMWFEESA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903854844 584809431 /nfs/dbraw/zinc/80/94/31/584809431.db2.gz KSFBYCJFUFOONM-STQMWFEESA-N 2 1 234.347 0.776 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856834 584809806 /nfs/dbraw/zinc/80/98/06/584809806.db2.gz BFVFENAMWDGYCU-NTZNESFSSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000903856834 584809807 /nfs/dbraw/zinc/80/98/07/584809807.db2.gz BFVFENAMWDGYCU-NTZNESFSSA-N 2 1 247.346 0.579 20 0 BCADMP NC[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861213 584811915 /nfs/dbraw/zinc/81/19/15/584811915.db2.gz WFONAOPRHVIMDU-FVCCEPFGSA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861213 584811916 /nfs/dbraw/zinc/81/19/16/584811916.db2.gz WFONAOPRHVIMDU-FVCCEPFGSA-N 3 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861213 584811918 /nfs/dbraw/zinc/81/19/18/584811918.db2.gz WFONAOPRHVIMDU-FVCCEPFGSA-N 3 1 223.364 0.927 20 0 BCADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869888 584814719 /nfs/dbraw/zinc/81/47/19/584814719.db2.gz KFVOMNYXKXYLHL-OLZOCXBDSA-N 3 1 223.364 0.814 20 0 BCADMP C(CN1CCC[C@@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869888 584814720 /nfs/dbraw/zinc/81/47/20/584814720.db2.gz KFVOMNYXKXYLHL-OLZOCXBDSA-N 2 1 223.364 0.814 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908987 584821842 /nfs/dbraw/zinc/82/18/42/584821842.db2.gz CEMPUECEOCIMHX-GZMMTYOYSA-N 2 1 249.305 0.427 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908987 584821843 /nfs/dbraw/zinc/82/18/43/584821843.db2.gz CEMPUECEOCIMHX-GZMMTYOYSA-N 2 1 249.305 0.427 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]CCC(C)(C)[NH3+] ZINC000903939658 584828964 /nfs/dbraw/zinc/82/89/64/584828964.db2.gz KWDXXOVLZZJOFS-JTQLQIEISA-N 3 1 201.358 0.934 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951354 584830958 /nfs/dbraw/zinc/83/09/58/584830958.db2.gz WPGQUQMRBSIZJC-VXGBXAGGSA-N 2 1 249.362 0.872 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903963702 584833594 /nfs/dbraw/zinc/83/35/94/584833594.db2.gz GLFBJNFFACWDBB-DDHJBXDOSA-N 2 1 211.353 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(N)cn1 ZINC000903966784 584834530 /nfs/dbraw/zinc/83/45/30/584834530.db2.gz CBMFDSPJEISKMP-BDAKNGLRSA-N 2 1 221.308 0.004 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967487 584835238 /nfs/dbraw/zinc/83/52/38/584835238.db2.gz JYPSKCQXQFJMDO-WOPDTQHZSA-N 3 1 213.369 0.662 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315875 584860095 /nfs/dbraw/zinc/86/00/95/584860095.db2.gz GAUVBINWOMSRLY-NEPJUHHUSA-N 2 1 212.337 0.690 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299472 584860718 /nfs/dbraw/zinc/86/07/18/584860718.db2.gz FKPGNAUKMZZHKE-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301520 584861165 /nfs/dbraw/zinc/86/11/65/584861165.db2.gz MWIFNWWQYPWOIJ-UTUOFQBUSA-N 2 1 240.347 0.999 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000904302859 584862120 /nfs/dbraw/zinc/86/21/20/584862120.db2.gz ZWPFWGAYIRZVST-KIJLLGNVSA-N 3 1 223.364 0.783 20 0 BCADMP CCC[C@H]1CNCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301715 584862198 /nfs/dbraw/zinc/86/21/98/584862198.db2.gz PNLZWMAZEKTWJX-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP CCC[C@H]1C[NH2+]CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301715 584862200 /nfs/dbraw/zinc/86/22/00/584862200.db2.gz PNLZWMAZEKTWJX-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303790 584862359 /nfs/dbraw/zinc/86/23/59/584862359.db2.gz HKPBGRINTBFGKR-KXUCPTDWSA-N 2 1 211.309 0.064 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904310211 584862522 /nfs/dbraw/zinc/86/25/22/584862522.db2.gz YBLZQTHEZPYIFW-DGCLKSJQSA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000904309281 584862570 /nfs/dbraw/zinc/86/25/70/584862570.db2.gz GKPRPEADCRDFOI-JFGNBEQYSA-N 2 1 237.347 0.467 20 0 BCADMP NC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904307998 584862573 /nfs/dbraw/zinc/86/25/73/584862573.db2.gz ZTCSFZITMHYSLB-AOOOYVTPSA-N 2 1 225.336 0.454 20 0 BCADMP COC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904310098 584862839 /nfs/dbraw/zinc/86/28/39/584862839.db2.gz WCAWDKSNCUETJM-AOOOYVTPSA-N 2 1 214.309 0.607 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337064 584863442 /nfs/dbraw/zinc/86/34/42/584863442.db2.gz ZORYTXDWIOWKBA-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313231 584863694 /nfs/dbraw/zinc/86/36/94/584863694.db2.gz XGJRTGTXNBPXBM-AOOOYVTPSA-N 2 1 213.325 0.311 20 0 BCADMP NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320485 584863910 /nfs/dbraw/zinc/86/39/10/584863910.db2.gz JCJUHRKZCMIAKC-BETUJISGSA-N 2 1 247.342 0.711 20 0 BCADMP COCC[N@@H+](CCC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321681 584864481 /nfs/dbraw/zinc/86/44/81/584864481.db2.gz BSFGQXABUOUOGK-PHIMTYICSA-N 2 1 244.335 0.235 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000904321903 584864965 /nfs/dbraw/zinc/86/49/65/584864965.db2.gz JVHPEHUGPTUCAV-NNYUYHANSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000904321903 584864967 /nfs/dbraw/zinc/86/49/67/584864967.db2.gz JVHPEHUGPTUCAV-NNYUYHANSA-N 3 1 209.337 0.408 20 0 BCADMP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326984 584865324 /nfs/dbraw/zinc/86/53/24/584865324.db2.gz VPVBZEKSUYMULW-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327016 584865464 /nfs/dbraw/zinc/86/54/64/584865464.db2.gz XAFSXECOFIQRFC-DGCLKSJQSA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325244 584865543 /nfs/dbraw/zinc/86/55/43/584865543.db2.gz UFQXGCLVGMTSSM-ZDUSSCGKSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329072 584865832 /nfs/dbraw/zinc/86/58/32/584865832.db2.gz VBORNSOZTMVKEW-JQWIXIFHSA-N 2 1 240.351 0.119 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329072 584865834 /nfs/dbraw/zinc/86/58/34/584865834.db2.gz VBORNSOZTMVKEW-JQWIXIFHSA-N 2 1 240.351 0.119 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000904328829 584865948 /nfs/dbraw/zinc/86/59/48/584865948.db2.gz HZMPGPFSCGWRTB-AEJSXWLSSA-N 2 1 228.336 0.901 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000904338839 584866037 /nfs/dbraw/zinc/86/60/37/584866037.db2.gz WEBCQTDPAWFDTI-HRDYMLBCSA-N 2 1 220.263 0.690 20 0 BCADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000904334504 584866560 /nfs/dbraw/zinc/86/65/60/584866560.db2.gz YAYAVMUXOSQSBP-OKILXGFUSA-N 3 1 231.343 0.797 20 0 BCADMP [NH3+]Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000904334504 584866561 /nfs/dbraw/zinc/86/65/61/584866561.db2.gz YAYAVMUXOSQSBP-OKILXGFUSA-N 2 1 231.343 0.797 20 0 BCADMP CC[C@@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340575 584866586 /nfs/dbraw/zinc/86/65/86/584866586.db2.gz JOIHZNVOKYFBCT-TUAOUCFPSA-N 2 1 212.337 0.961 20 0 BCADMP C[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334560 584866740 /nfs/dbraw/zinc/86/67/40/584866740.db2.gz ZCDKXUMVEDYCQD-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334560 584866741 /nfs/dbraw/zinc/86/67/41/584866741.db2.gz ZCDKXUMVEDYCQD-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP C[N@@H+](CCOCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342264 584867491 /nfs/dbraw/zinc/86/74/91/584867491.db2.gz BCMQVSKJSGLDSV-LBPRGKRZSA-N 2 1 230.352 0.317 20 0 BCADMP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345304 584868112 /nfs/dbraw/zinc/86/81/12/584868112.db2.gz CSOHYRMJIRISLQ-YFKTTZPYSA-N 2 1 240.347 0.997 20 0 BCADMP CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346612 584868347 /nfs/dbraw/zinc/86/83/47/584868347.db2.gz WHPNQLBLVCUJTG-MXWKQRLJSA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345300 584868569 /nfs/dbraw/zinc/86/85/69/584868569.db2.gz CSOHYRMJIRISLQ-NNYUYHANSA-N 2 1 240.347 0.997 20 0 BCADMP COCCNCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904353422 584869952 /nfs/dbraw/zinc/86/99/52/584869952.db2.gz MHTMJXWWBNMQSX-UHFFFAOYSA-N 3 1 237.347 0.471 20 0 BCADMP NC1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCCC1 ZINC000904353840 584870189 /nfs/dbraw/zinc/87/01/89/584870189.db2.gz SKEWYOMKOMPBJM-PHIMTYICSA-N 2 1 211.353 0.975 20 0 BCADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355599 584871165 /nfs/dbraw/zinc/87/11/65/584871165.db2.gz UOUCTZDQDBEIKR-LBPRGKRZSA-N 3 1 207.321 0.972 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356599 584871254 /nfs/dbraw/zinc/87/12/54/584871254.db2.gz XAUTYIOVTBFSPK-AAEUAGOBSA-N 3 1 240.395 0.140 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904371871 584873454 /nfs/dbraw/zinc/87/34/54/584873454.db2.gz VGLZQGDCXRFDRO-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904371871 584873455 /nfs/dbraw/zinc/87/34/55/584873455.db2.gz VGLZQGDCXRFDRO-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP CC(C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC(=O)N1 ZINC000904373242 584873706 /nfs/dbraw/zinc/87/37/06/584873706.db2.gz NEBHLHKAXFDFEK-TUAOUCFPSA-N 2 1 239.363 0.713 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000904389338 584875203 /nfs/dbraw/zinc/87/52/03/584875203.db2.gz KOXSUSLYNUWJMM-SECBINFHSA-N 2 1 200.282 0.220 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1COCCO1 ZINC000904377773 584876039 /nfs/dbraw/zinc/87/60/39/584876039.db2.gz YOSPCGAPUWLHNE-AXFHLTTASA-N 2 1 214.309 0.071 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904381165 584876580 /nfs/dbraw/zinc/87/65/80/584876580.db2.gz KZWNNTPSFWTKGA-UHFFFAOYSA-N 3 1 237.347 0.552 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CO ZINC000904379937 584876602 /nfs/dbraw/zinc/87/66/02/584876602.db2.gz FWYVRZSDAFQASL-NNYUYHANSA-N 2 1 212.337 0.674 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CO ZINC000904379938 584876863 /nfs/dbraw/zinc/87/68/63/584876863.db2.gz FWYVRZSDAFQASL-WYUUTHIRSA-N 2 1 212.337 0.674 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CO ZINC000904379935 584876884 /nfs/dbraw/zinc/87/68/84/584876884.db2.gz FWYVRZSDAFQASL-FIQHERPVSA-N 2 1 212.337 0.674 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877378 /nfs/dbraw/zinc/87/73/78/584877378.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 2 1 223.364 0.750 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877380 /nfs/dbraw/zinc/87/73/80/584877380.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877381 /nfs/dbraw/zinc/87/73/81/584877381.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877383 /nfs/dbraw/zinc/87/73/83/584877383.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877384 /nfs/dbraw/zinc/87/73/84/584877384.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385210 584877969 /nfs/dbraw/zinc/87/79/69/584877969.db2.gz VFQFTPCXJLGGHF-ZYHUDNBSSA-N 2 1 247.346 0.585 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407101 584878636 /nfs/dbraw/zinc/87/86/36/584878636.db2.gz NIJKLFFJXXCCQK-RYUDHWBXSA-N 3 1 213.369 0.888 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409586 584879226 /nfs/dbraw/zinc/87/92/26/584879226.db2.gz CWTRJHVOHLVTIE-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@]1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420710 584881903 /nfs/dbraw/zinc/88/19/03/584881903.db2.gz UQIRLNVYMSHBGK-YNEHKIRRSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420710 584881904 /nfs/dbraw/zinc/88/19/04/584881904.db2.gz UQIRLNVYMSHBGK-YNEHKIRRSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420506 584882007 /nfs/dbraw/zinc/88/20/07/584882007.db2.gz QVLCJRVHZZFPTH-ZOBORPQBSA-N 3 1 237.391 0.916 20 0 BCADMP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904421235 584882089 /nfs/dbraw/zinc/88/20/89/584882089.db2.gz VBAXDYYOAUURGG-QWHCGFSZSA-N 2 1 234.347 0.944 20 0 BCADMP CCn1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904421235 584882091 /nfs/dbraw/zinc/88/20/91/584882091.db2.gz VBAXDYYOAUURGG-QWHCGFSZSA-N 2 1 234.347 0.944 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876749393 584887025 /nfs/dbraw/zinc/88/70/25/584887025.db2.gz NIHIEIVBRVSWCS-WDEREUQCSA-N 2 1 245.342 0.390 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827683469 584900114 /nfs/dbraw/zinc/90/01/14/584900114.db2.gz HTXXEGAAMNPLQJ-JOYOIKCWSA-N 2 1 241.310 0.041 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000827683470 584900409 /nfs/dbraw/zinc/90/04/09/584900409.db2.gz HTXXEGAAMNPLQJ-SKDRFNHKSA-N 2 1 241.310 0.041 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016282 /nfs/dbraw/zinc/01/62/82/585016282.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016283 /nfs/dbraw/zinc/01/62/83/585016283.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016284 /nfs/dbraw/zinc/01/62/84/585016284.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016285 /nfs/dbraw/zinc/01/62/85/585016285.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016286 /nfs/dbraw/zinc/01/62/86/585016286.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP FCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000759345913 585370162 /nfs/dbraw/zinc/37/01/62/585370162.db2.gz UMOVYIMGYMOFGV-NSHDSACASA-N 2 1 216.300 0.610 20 0 BCADMP FCCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000759345913 585370163 /nfs/dbraw/zinc/37/01/63/585370163.db2.gz UMOVYIMGYMOFGV-NSHDSACASA-N 2 1 216.300 0.610 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000763042784 585441785 /nfs/dbraw/zinc/44/17/85/585441785.db2.gz BIFRNUMJIWIIQM-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP O=C1O[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC12CC2 ZINC000763672228 585452030 /nfs/dbraw/zinc/45/20/30/585452030.db2.gz NJVNODSDJDLGHU-OUAUKWLOSA-N 2 1 236.315 0.233 20 0 BCADMP O=C1O[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC12CC2 ZINC000763672228 585452031 /nfs/dbraw/zinc/45/20/31/585452031.db2.gz NJVNODSDJDLGHU-OUAUKWLOSA-N 2 1 236.315 0.233 20 0 BCADMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000770221309 585571886 /nfs/dbraw/zinc/57/18/86/585571886.db2.gz JJGMRCHADZSSMP-UHFFFAOYSA-N 2 1 235.335 0.898 20 0 BCADMP CC[N@H+](CC[NH2+]C1CCN(C=O)CC1)C(C)C ZINC000774168567 585652731 /nfs/dbraw/zinc/65/27/31/585652731.db2.gz HTAVUYVRXZVSBP-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CC[NH2+]C1CCN(C=O)CC1)C(C)C ZINC000774168567 585652732 /nfs/dbraw/zinc/65/27/32/585652732.db2.gz HTAVUYVRXZVSBP-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703881 /nfs/dbraw/zinc/70/38/81/585703881.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764435 585705017 /nfs/dbraw/zinc/70/50/17/585705017.db2.gz ZNFSMSUHKVNIHJ-NWDGAFQWSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764435 585705018 /nfs/dbraw/zinc/70/50/18/585705018.db2.gz ZNFSMSUHKVNIHJ-NWDGAFQWSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2cnnc2)C1 ZINC000776764435 585705019 /nfs/dbraw/zinc/70/50/19/585705019.db2.gz ZNFSMSUHKVNIHJ-NWDGAFQWSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2cnnc2)C1 ZINC000776764435 585705020 /nfs/dbraw/zinc/70/50/20/585705020.db2.gz ZNFSMSUHKVNIHJ-NWDGAFQWSA-N 2 1 235.335 0.652 20 0 BCADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836790 585881762 /nfs/dbraw/zinc/88/17/62/585881762.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 2 1 235.335 0.896 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788478392 585925265 /nfs/dbraw/zinc/92/52/65/585925265.db2.gz JMVAXGSRJAGDRC-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000794711373 586047006 /nfs/dbraw/zinc/04/70/06/586047006.db2.gz MMGWTPYTWRUNHL-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000794711373 586047007 /nfs/dbraw/zinc/04/70/07/586047007.db2.gz MMGWTPYTWRUNHL-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000843081402 586237782 /nfs/dbraw/zinc/23/77/82/586237782.db2.gz RMEMLNQYSINLTM-WCQYABFASA-N 2 1 238.331 0.198 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888521 586832049 /nfs/dbraw/zinc/83/20/49/586832049.db2.gz HGLLXMXHQMHZAD-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888521 586832052 /nfs/dbraw/zinc/83/20/52/586832052.db2.gz HGLLXMXHQMHZAD-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000817922829 586840453 /nfs/dbraw/zinc/84/04/53/586840453.db2.gz MTLPXDINJOBLBY-GHMZBOCLSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(C)n1)CC[NH2+]CC2 ZINC000818340462 586887491 /nfs/dbraw/zinc/88/74/91/586887491.db2.gz MLXHVTUTTRHCTE-LLVKDONJSA-N 2 1 249.362 0.779 20 0 BCADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000818986014 586920199 /nfs/dbraw/zinc/92/01/99/586920199.db2.gz CRBDMWNLINLPEN-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000818986014 586920201 /nfs/dbraw/zinc/92/02/01/586920201.db2.gz CRBDMWNLINLPEN-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP C[C@@H]([NH2+]CCS(C)(=O)=O)C1=CC[N@H+](C)CC1 ZINC000819219449 586939832 /nfs/dbraw/zinc/93/98/32/586939832.db2.gz DSPYAYQNDDBYCM-SNVBAGLBSA-N 2 1 246.376 0.271 20 0 BCADMP C[C@@H]([NH2+]CCS(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000819219449 586939834 /nfs/dbraw/zinc/93/98/34/586939834.db2.gz DSPYAYQNDDBYCM-SNVBAGLBSA-N 2 1 246.376 0.271 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000820294972 587041747 /nfs/dbraw/zinc/04/17/47/587041747.db2.gz FDROSQQLOYLKFW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000820294972 587041749 /nfs/dbraw/zinc/04/17/49/587041749.db2.gz FDROSQQLOYLKFW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000820294972 587041751 /nfs/dbraw/zinc/04/17/51/587041751.db2.gz FDROSQQLOYLKFW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000820294972 587041753 /nfs/dbraw/zinc/04/17/53/587041753.db2.gz FDROSQQLOYLKFW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC000820520363 587052520 /nfs/dbraw/zinc/05/25/20/587052520.db2.gz OKZIUIJJXDXEFG-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085025 /nfs/dbraw/zinc/08/50/25/589085025.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085027 /nfs/dbraw/zinc/08/50/27/589085027.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085028 /nfs/dbraw/zinc/08/50/28/589085028.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 2 1 238.331 0.576 20 0 BCADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526598 587125939 /nfs/dbraw/zinc/12/59/39/587125939.db2.gz DTGUZSWOCYEVNH-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526598 587125940 /nfs/dbraw/zinc/12/59/40/587125940.db2.gz DTGUZSWOCYEVNH-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526601 587126103 /nfs/dbraw/zinc/12/61/03/587126103.db2.gz DTGUZSWOCYEVNH-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000821526601 587126104 /nfs/dbraw/zinc/12/61/04/587126104.db2.gz DTGUZSWOCYEVNH-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000824400766 587269610 /nfs/dbraw/zinc/26/96/10/587269610.db2.gz DNISQURUTDIOFB-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[NH+](C)C ZINC000827219974 587373259 /nfs/dbraw/zinc/37/32/59/587373259.db2.gz PYUZKCOZYUDOLQ-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP CN(CC[S@](C)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000827878462 587407290 /nfs/dbraw/zinc/40/72/90/587407290.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 1 232.393 0.639 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970497 587639775 /nfs/dbraw/zinc/63/97/75/587639775.db2.gz HKTOYUYZSLSCDS-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971048 587640193 /nfs/dbraw/zinc/64/01/93/587640193.db2.gz QFLUEHJTSUPHJX-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971045 587640262 /nfs/dbraw/zinc/64/02/62/587640262.db2.gz QFLUEHJTSUPHJX-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970629 587640265 /nfs/dbraw/zinc/64/02/65/587640265.db2.gz JWUNCSYGRLJUCV-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000831971479 587640375 /nfs/dbraw/zinc/64/03/75/587640375.db2.gz YQOGUYCESHXULJ-JTQLQIEISA-N 2 1 225.336 0.339 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971438 587640552 /nfs/dbraw/zinc/64/05/52/587640552.db2.gz XLUXXLKJWQKWJW-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971437 587640686 /nfs/dbraw/zinc/64/06/86/587640686.db2.gz XLUXXLKJWQKWJW-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970421 587640726 /nfs/dbraw/zinc/64/07/26/587640726.db2.gz HBHGNFNBJYGIBF-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970265 587640958 /nfs/dbraw/zinc/64/09/58/587640958.db2.gz BDRQPXUHIKFDKW-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000831970958 587640985 /nfs/dbraw/zinc/64/09/85/587640985.db2.gz OZFPETWXOGESIB-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP O=C(NCC[N@H+]1CC=CCC1)[C@@]1(F)CC[NH2+]C1 ZINC000832178219 587648528 /nfs/dbraw/zinc/64/85/28/587648528.db2.gz ONPXZDWTIOKTBK-GFCCVEGCSA-N 2 1 241.310 0.066 20 0 BCADMP O=C(NCC[N@H+]1CC=CCC1)[C@]1(F)CC[NH2+]C1 ZINC000832178220 587648763 /nfs/dbraw/zinc/64/87/63/587648763.db2.gz ONPXZDWTIOKTBK-LBPRGKRZSA-N 2 1 241.310 0.066 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)C[NH3+] ZINC000834340808 587752697 /nfs/dbraw/zinc/75/26/97/587752697.db2.gz FGDGDYREQPCFMB-JTQLQIEISA-N 2 1 238.335 0.683 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000841831017 587976244 /nfs/dbraw/zinc/97/62/44/587976244.db2.gz DJRGPWUVTNAXKJ-GXSJLCMTSA-N 2 1 240.351 0.117 20 0 BCADMP CN1CC[N@H+](CCCCCCC[NH3+])CC1=O ZINC000842472514 588028754 /nfs/dbraw/zinc/02/87/54/588028754.db2.gz CLHMTKGAVXEEEO-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP CN1CC[N@@H+](CCCCCCC[NH3+])CC1=O ZINC000842472514 588028755 /nfs/dbraw/zinc/02/87/55/588028755.db2.gz CLHMTKGAVXEEEO-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP C[NH2+]CCN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000843057885 588078106 /nfs/dbraw/zinc/07/81/06/588078106.db2.gz WSJLJVNIKCZWAW-UHFFFAOYSA-N 2 1 242.392 0.856 20 0 BCADMP CCn1ncnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364782 588104271 /nfs/dbraw/zinc/10/42/71/588104271.db2.gz SCUUAGMHXIMSTG-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP CCn1ncnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364782 588104272 /nfs/dbraw/zinc/10/42/72/588104272.db2.gz SCUUAGMHXIMSTG-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP [NH3+]CCCCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843479777 588114004 /nfs/dbraw/zinc/11/40/04/588114004.db2.gz CMDJDHUTHHHLKU-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)CCC1 ZINC000843481123 588114261 /nfs/dbraw/zinc/11/42/61/588114261.db2.gz OBROOPITLAVPKP-QMMMGPOBSA-N 2 1 247.289 0.323 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH2+]CC ZINC000843494741 588115582 /nfs/dbraw/zinc/11/55/82/588115582.db2.gz WSWRQUXCIZYATH-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH3+])CC[N@H+]1C ZINC000843511105 588117824 /nfs/dbraw/zinc/11/78/24/588117824.db2.gz GXQLUZYEYQYWKP-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000844179512 588172531 /nfs/dbraw/zinc/17/25/31/588172531.db2.gz FJEKGGOOBXVIRR-UTUOFQBUSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@H](CCO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000844448110 588194685 /nfs/dbraw/zinc/19/46/85/588194685.db2.gz TUKURFFYXIAYNL-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](CCO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000844448110 588194686 /nfs/dbraw/zinc/19/46/86/588194686.db2.gz TUKURFFYXIAYNL-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220476 588261089 /nfs/dbraw/zinc/26/10/89/588261089.db2.gz QIMNGOLBYIBTAG-GFCCVEGCSA-N 2 1 241.379 0.032 20 0 BCADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000846220481 588261301 /nfs/dbraw/zinc/26/13/01/588261301.db2.gz QOPJIQPMIQMMGM-TXEJJXNPSA-N 3 1 211.353 0.657 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000846804101 588289728 /nfs/dbraw/zinc/28/97/28/588289728.db2.gz IIWQIZBGACFCHM-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000846855321 588293396 /nfs/dbraw/zinc/29/33/96/588293396.db2.gz UQUGDBTVNRNNLC-NWDGAFQWSA-N 2 1 230.352 0.050 20 0 BCADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)C1CC1 ZINC000846855344 588293407 /nfs/dbraw/zinc/29/34/07/588293407.db2.gz VPNONJMUQIDKHB-LBPRGKRZSA-N 2 1 223.320 0.713 20 0 BCADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000107149793 588332223 /nfs/dbraw/zinc/33/22/23/588332223.db2.gz QGKSGMBBMGSEEJ-SNVBAGLBSA-N 2 1 208.309 0.807 20 0 BCADMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N(C)C)C[C@H](C)O1 ZINC000848983610 588424427 /nfs/dbraw/zinc/42/44/27/588424427.db2.gz VWBNVMYNYKJCHE-PHIMTYICSA-N 2 1 242.367 0.572 20 0 BCADMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000848992786 588427851 /nfs/dbraw/zinc/42/78/51/588427851.db2.gz ULDDBMDUVDGBIO-QWRGUYRKSA-N 2 1 240.351 0.183 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996619 588429059 /nfs/dbraw/zinc/42/90/59/588429059.db2.gz KRISKGMKYBUVLG-DTWKUNHWSA-N 2 1 200.330 0.849 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996628 588429124 /nfs/dbraw/zinc/42/91/24/588429124.db2.gz LEZJRFOYYMOCNK-IUCAKERBSA-N 2 1 216.329 0.085 20 0 BCADMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+](C)C2CC2)CCO1 ZINC000848997618 588429691 /nfs/dbraw/zinc/42/96/91/588429691.db2.gz UJAIITCSKZXVKI-SNVBAGLBSA-N 2 1 240.351 0.326 20 0 BCADMP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+](C)C2CC2)CCO1 ZINC000848997618 588429692 /nfs/dbraw/zinc/42/96/92/588429692.db2.gz UJAIITCSKZXVKI-SNVBAGLBSA-N 2 1 240.351 0.326 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997626 588429955 /nfs/dbraw/zinc/42/99/55/588429955.db2.gz VHKPMIWHLMDCGB-SECBINFHSA-N 2 1 228.340 0.229 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997626 588429956 /nfs/dbraw/zinc/42/99/56/588429956.db2.gz VHKPMIWHLMDCGB-SECBINFHSA-N 2 1 228.340 0.229 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000995 588430742 /nfs/dbraw/zinc/43/07/42/588430742.db2.gz NGLZSZXWEXWMSM-SNVBAGLBSA-N 2 1 212.341 0.947 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849001962 588431117 /nfs/dbraw/zinc/43/11/17/588431117.db2.gz WCINNQSCZPHDGG-LLVKDONJSA-N 2 1 240.351 0.327 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])N1CCC1 ZINC000849004578 588431832 /nfs/dbraw/zinc/43/18/32/588431832.db2.gz ZVCUNMMCEBRKKR-UHFFFAOYSA-N 2 1 212.341 0.948 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004322 588431855 /nfs/dbraw/zinc/43/18/55/588431855.db2.gz MNRYEQSXIPTGOP-SNVBAGLBSA-N 2 1 228.340 0.089 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005269 588432360 /nfs/dbraw/zinc/43/23/60/588432360.db2.gz JFMWYSDLYZABAV-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000849005556 588432507 /nfs/dbraw/zinc/43/25/07/588432507.db2.gz YWAPIVQVPBJWAJ-SNVBAGLBSA-N 2 1 228.340 0.089 20 0 BCADMP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008108 588433579 /nfs/dbraw/zinc/43/35/79/588433579.db2.gz QYITXSYEPGWNJW-LLVKDONJSA-N 2 1 241.383 0.098 20 0 BCADMP CC[C@H](CO)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849017040 588437445 /nfs/dbraw/zinc/43/74/45/588437445.db2.gz YAKJIKXLXOKKQW-MNOVXSKESA-N 2 1 242.367 0.356 20 0 BCADMP [NH2+]=C(NC1CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020416 588438635 /nfs/dbraw/zinc/43/86/35/588438635.db2.gz IOAOPTGDSUFKDH-SNVBAGLBSA-N 2 1 233.319 0.864 20 0 BCADMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC1 ZINC000849020392 588438674 /nfs/dbraw/zinc/43/86/74/588438674.db2.gz FPRROHRFEVXJKZ-SECBINFHSA-N 2 1 219.292 0.428 20 0 BCADMP CN(C)C(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849026660 588440937 /nfs/dbraw/zinc/44/09/37/588440937.db2.gz MOWOJLHXIMODJN-UHFFFAOYSA-N 2 1 241.383 0.098 20 0 BCADMP CCCNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028460 588441526 /nfs/dbraw/zinc/44/15/26/588441526.db2.gz WNSOVEODRMGRFJ-UHFFFAOYSA-N 2 1 243.399 0.394 20 0 BCADMP CCCNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028460 588441528 /nfs/dbraw/zinc/44/15/28/588441528.db2.gz WNSOVEODRMGRFJ-UHFFFAOYSA-N 2 1 243.399 0.394 20 0 BCADMP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CCCO)N1CCC1 ZINC000849033886 588444004 /nfs/dbraw/zinc/44/40/04/588444004.db2.gz DGEAGUKKLLHWNR-LLVKDONJSA-N 2 1 240.351 0.063 20 0 BCADMP CN(C)C(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041296 588447853 /nfs/dbraw/zinc/44/78/53/588447853.db2.gz PKAMVRULPWKVGT-JTQLQIEISA-N 2 1 212.341 0.804 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000849216122 588462212 /nfs/dbraw/zinc/46/22/12/588462212.db2.gz VIXVOQTYYPLANH-NSHDSACASA-N 2 1 224.352 0.657 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000850477438 588548836 /nfs/dbraw/zinc/54/88/36/588548836.db2.gz GPINTFVEBGCOFJ-JHJVBQTASA-N 2 1 241.379 0.942 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000850477440 588549286 /nfs/dbraw/zinc/54/92/86/588549286.db2.gz GPINTFVEBGCOFJ-UPJWGTAASA-N 2 1 241.379 0.942 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC2(COC2)C1 ZINC000852683672 588695501 /nfs/dbraw/zinc/69/55/01/588695501.db2.gz PEPPJICTFPHNBP-LBPRGKRZSA-N 2 1 240.347 0.165 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC2(COC2)C1 ZINC000852683672 588695502 /nfs/dbraw/zinc/69/55/02/588695502.db2.gz PEPPJICTFPHNBP-LBPRGKRZSA-N 2 1 240.347 0.165 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852744103 588698774 /nfs/dbraw/zinc/69/87/74/588698774.db2.gz SBUVTBQXLFQJIW-MRVPVSSYSA-N 2 1 208.252 0.896 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852744103 588698775 /nfs/dbraw/zinc/69/87/75/588698775.db2.gz SBUVTBQXLFQJIW-MRVPVSSYSA-N 2 1 208.252 0.896 20 0 BCADMP C([C@@H]1CNCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746340 588698861 /nfs/dbraw/zinc/69/88/61/588698861.db2.gz IZXPQQNVGJOTTR-LBPRGKRZSA-N 3 1 239.363 0.050 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755230 588700567 /nfs/dbraw/zinc/70/05/67/588700567.db2.gz ICVYRBDNUDDAEJ-SNVBAGLBSA-N 2 1 227.308 0.122 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755230 588700568 /nfs/dbraw/zinc/70/05/68/588700568.db2.gz ICVYRBDNUDDAEJ-SNVBAGLBSA-N 2 1 227.308 0.122 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852838749 588707064 /nfs/dbraw/zinc/70/70/64/588707064.db2.gz NSEZMIRLCNUVQA-AXFHLTTASA-N 2 1 239.363 0.570 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852836511 588707090 /nfs/dbraw/zinc/70/70/90/588707090.db2.gz BBJMGZDWRIQWCL-JTQLQIEISA-N 2 1 226.255 0.070 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852865292 588709679 /nfs/dbraw/zinc/70/96/79/588709679.db2.gz YGXSFUIGKUJEGJ-UHFFFAOYSA-N 2 1 239.363 0.753 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861571954 589168517 /nfs/dbraw/zinc/16/85/17/589168517.db2.gz KEQFONQQZGUREE-QWRGUYRKSA-N 2 1 244.383 0.705 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861574886 589168922 /nfs/dbraw/zinc/16/89/22/589168922.db2.gz AHRPWGQPPVSZKG-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651529 589173326 /nfs/dbraw/zinc/17/33/26/589173326.db2.gz VHLOGMJWRAZWDT-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+]1C ZINC000863240763 589274470 /nfs/dbraw/zinc/27/44/70/589274470.db2.gz JIFMAQMNKSLWTE-JTQLQIEISA-N 2 1 244.408 0.106 20 0 BCADMP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000863486654 589293285 /nfs/dbraw/zinc/29/32/85/589293285.db2.gz BPHBFUWHLOVSON-GXSJLCMTSA-N 2 1 241.335 0.557 20 0 BCADMP CCn1ncc(C[NH2+][C@@H](CCC[NH3+])COC)n1 ZINC000863540310 589296771 /nfs/dbraw/zinc/29/67/71/589296771.db2.gz SNSAMJHPDDEPMC-JTQLQIEISA-N 2 1 241.339 0.142 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453720 589366204 /nfs/dbraw/zinc/36/62/04/589366204.db2.gz BCYOBBSABHOTLI-WDEREUQCSA-N 2 1 242.367 0.477 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000864457265 589367297 /nfs/dbraw/zinc/36/72/97/589367297.db2.gz CCEUOIDUVOOVTN-OUAUKWLOSA-N 2 1 224.352 0.851 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864456613 589367602 /nfs/dbraw/zinc/36/76/02/589367602.db2.gz KSLJCYRGKSIVJE-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864456440 589367580 /nfs/dbraw/zinc/36/75/80/589367580.db2.gz IYCXCTOFBIPEKH-WPRPVWTQSA-N 2 1 221.308 0.714 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864456613 589367601 /nfs/dbraw/zinc/36/76/01/589367601.db2.gz KSLJCYRGKSIVJE-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864456439 589367634 /nfs/dbraw/zinc/36/76/34/589367634.db2.gz IYCXCTOFBIPEKH-WCBMZHEXSA-N 2 1 221.308 0.714 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000866659491 589508250 /nfs/dbraw/zinc/50/82/50/589508250.db2.gz MNCCQHIUQCEIHX-QWRGUYRKSA-N 2 1 235.335 0.436 20 0 BCADMP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000866662136 589508910 /nfs/dbraw/zinc/50/89/10/589508910.db2.gz YCVNHSXQYYQWSH-CYBMUJFWSA-N 2 1 247.342 0.751 20 0 BCADMP NC(=O)c1ccc(CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000866662136 589508911 /nfs/dbraw/zinc/50/89/11/589508911.db2.gz YCVNHSXQYYQWSH-CYBMUJFWSA-N 2 1 247.342 0.751 20 0 BCADMP [NH3+]CC[N@H+](CCO)C[C@H]1CCC(F)(F)C1 ZINC000866661072 589508966 /nfs/dbraw/zinc/50/89/66/589508966.db2.gz OBMGXDOEAZLAOI-VIFPVBQESA-N 2 1 222.279 0.675 20 0 BCADMP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC(F)(F)C1 ZINC000866661072 589508967 /nfs/dbraw/zinc/50/89/67/589508967.db2.gz OBMGXDOEAZLAOI-VIFPVBQESA-N 2 1 222.279 0.675 20 0 BCADMP [NH3+]CCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866684106 589511282 /nfs/dbraw/zinc/51/12/82/589511282.db2.gz JCZKNZVOONEGIK-UHFFFAOYSA-N 2 1 227.352 0.718 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704015 589513474 /nfs/dbraw/zinc/51/34/74/589513474.db2.gz NUKIBUGMNUFISW-TUAOUCFPSA-N 2 1 244.404 0.642 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000870866237 589691758 /nfs/dbraw/zinc/69/17/58/589691758.db2.gz OVLWCLIQVQONAC-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000870872411 589693374 /nfs/dbraw/zinc/69/33/74/589693374.db2.gz UVENNRBTZBHIBE-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000870892814 589695277 /nfs/dbraw/zinc/69/52/77/589695277.db2.gz MPHLRUYFWIARJI-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000870978709 589704439 /nfs/dbraw/zinc/70/44/39/589704439.db2.gz AECIOFQVQMBTIB-CYBMUJFWSA-N 2 1 247.342 0.899 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000870978709 589704441 /nfs/dbraw/zinc/70/44/41/589704441.db2.gz AECIOFQVQMBTIB-CYBMUJFWSA-N 2 1 247.342 0.899 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH3+])CC[C@@H]21 ZINC000870981584 589704504 /nfs/dbraw/zinc/70/45/04/589704504.db2.gz JMNYILXVKBHVBP-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000870982762 589705001 /nfs/dbraw/zinc/70/50/01/589705001.db2.gz PEGXUAWKFUXPFX-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000871604126 589770596 /nfs/dbraw/zinc/77/05/96/589770596.db2.gz UQYAJLZGHXPHOL-LLVKDONJSA-N 2 1 242.367 0.431 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000871604018 589774307 /nfs/dbraw/zinc/77/43/07/589774307.db2.gz PSEIPNRJXZIGFP-SNVBAGLBSA-N 2 1 228.340 0.041 20 0 BCADMP FC(F)[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000872146477 589884645 /nfs/dbraw/zinc/88/46/45/589884645.db2.gz OUBIXQALJQIPPW-ZJUUUORDSA-N 2 1 234.290 0.952 20 0 BCADMP FC(F)[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000872146476 589885216 /nfs/dbraw/zinc/88/52/16/589885216.db2.gz OUBIXQALJQIPPW-VHSXEESVSA-N 2 1 234.290 0.952 20 0 BCADMP O[C@H]1CC[N@@H+](CCNc2cc[nH+]cc2C2CC2)C1 ZINC000872620313 589956803 /nfs/dbraw/zinc/95/68/03/589956803.db2.gz SAQFNGZAVBUINZ-LBPRGKRZSA-N 2 1 247.342 0.859 20 0 BCADMP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]cc2C2CC2)C1 ZINC000872619796 589956809 /nfs/dbraw/zinc/95/68/09/589956809.db2.gz SAQFNGZAVBUINZ-GFCCVEGCSA-N 2 1 247.342 0.859 20 0 BCADMP Nc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000873201558 589992801 /nfs/dbraw/zinc/99/28/01/589992801.db2.gz LJVUJLKDHMEYQP-WCQGTBRESA-N 2 1 247.346 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000873201558 589992803 /nfs/dbraw/zinc/99/28/03/589992803.db2.gz LJVUJLKDHMEYQP-WCQGTBRESA-N 2 1 247.346 0.618 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N)cn1 ZINC000873214036 589997059 /nfs/dbraw/zinc/99/70/59/589997059.db2.gz VLEUUUWIBDPPPE-SFYZADRCSA-N 2 1 209.297 0.274 20 0 BCADMP Nc1cnc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000873213409 589997307 /nfs/dbraw/zinc/99/73/07/589997307.db2.gz YJOVLTWONPEUJO-VIFPVBQESA-N 2 1 221.308 0.291 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221062 589999297 /nfs/dbraw/zinc/99/92/97/589999297.db2.gz ZBXONSPDTFZLHR-ZYHUDNBSSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221016 589999551 /nfs/dbraw/zinc/99/95/51/589999551.db2.gz XEWXGMHXMPNWDI-DMDPSCGWSA-N 3 1 225.380 0.962 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000873221442 589999655 /nfs/dbraw/zinc/99/96/55/589999655.db2.gz KLVCQGFTZXUIDT-MNOVXSKESA-N 2 1 211.353 0.750 20 0 BCADMP C[C@@H]([NH2+]Cc1ccnc(F)c1)C1C[NH2+]C1 ZINC000873241719 590006910 /nfs/dbraw/zinc/00/69/10/590006910.db2.gz IPWXYGLGMYAUDX-MRVPVSSYSA-N 2 1 209.268 0.918 20 0 BCADMP N[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250327 590008345 /nfs/dbraw/zinc/00/83/45/590008345.db2.gz OYBZJBKTPKJQEN-WHOHXGKFSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000873253614 590009346 /nfs/dbraw/zinc/00/93/46/590009346.db2.gz BEDGFMGGTHTRSE-WISYIIOYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000873253614 590009347 /nfs/dbraw/zinc/00/93/47/590009347.db2.gz BEDGFMGGTHTRSE-WISYIIOYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000873253612 590009896 /nfs/dbraw/zinc/00/98/96/590009896.db2.gz BEDGFMGGTHTRSE-NNYUYHANSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000873253612 590009899 /nfs/dbraw/zinc/00/98/99/590009899.db2.gz BEDGFMGGTHTRSE-NNYUYHANSA-N 2 1 211.353 0.796 20 0 BCADMP [NH3+][C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000873255317 590010113 /nfs/dbraw/zinc/01/01/13/590010113.db2.gz GEBSQPHMQVQRCN-XYPYZODXSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000873255937 590010870 /nfs/dbraw/zinc/01/08/70/590010870.db2.gz KPMLLUSJYPFYHP-GUBZILKMSA-N 3 1 220.320 0.882 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272404 590016466 /nfs/dbraw/zinc/01/64/66/590016466.db2.gz RVEKBRDWAVUCFY-GMXVVIOVSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873283537 590019308 /nfs/dbraw/zinc/01/93/08/590019308.db2.gz WESDSYUULYWCFE-GRYCIOLGSA-N 2 1 240.347 0.917 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299910 590102901 /nfs/dbraw/zinc/10/29/01/590102901.db2.gz DNZNWQRMPIINCH-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822165 590141040 /nfs/dbraw/zinc/14/10/40/590141040.db2.gz GKIBRNVPZUCDEM-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874837704 590143604 /nfs/dbraw/zinc/14/36/04/590143604.db2.gz JDIDRCODEYBRIK-GHMZBOCLSA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874837704 590143605 /nfs/dbraw/zinc/14/36/05/590143605.db2.gz JDIDRCODEYBRIK-GHMZBOCLSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734068 590233948 /nfs/dbraw/zinc/23/39/48/590233948.db2.gz OKJMZYRGKURZQU-HBNTYKKESA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876733823 590234412 /nfs/dbraw/zinc/23/44/12/590234412.db2.gz IKHMPZRHNKRLFN-VWYCJHECSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732605 590234480 /nfs/dbraw/zinc/23/44/80/590234480.db2.gz AWRGAOXEDCFLNT-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876749381 590237004 /nfs/dbraw/zinc/23/70/04/590237004.db2.gz NIHIEIVBRVSWCS-MNOVXSKESA-N 2 1 245.342 0.390 20 0 BCADMP C[NH+]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876790178 590241241 /nfs/dbraw/zinc/24/12/41/590241241.db2.gz VKOBMQCPMSFOQB-ZYOFXKKJSA-N 2 1 237.347 0.316 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000876851815 590249347 /nfs/dbraw/zinc/24/93/47/590249347.db2.gz OVBBHNTVZBRDKO-DTWKUNHWSA-N 2 1 245.273 0.099 20 0 BCADMP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)[NH+](C)C ZINC000876851211 590249383 /nfs/dbraw/zinc/24/93/83/590249383.db2.gz FDTNJWCSNIVKTD-BDAKNGLRSA-N 2 1 249.305 0.392 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870707 590251860 /nfs/dbraw/zinc/25/18/60/590251860.db2.gz CPFPNGKZFABFIT-MNOVXSKESA-N 2 1 234.303 0.012 20 0 BCADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1cnc[nH]1 ZINC000876882503 590253036 /nfs/dbraw/zinc/25/30/36/590253036.db2.gz JTIOERFAVGMCNV-UMBAGQNISA-N 2 1 234.303 0.582 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]1C ZINC000877109001 590286546 /nfs/dbraw/zinc/28/65/46/590286546.db2.gz YTYNNWXMIUTIFO-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168200 590295386 /nfs/dbraw/zinc/29/53/86/590295386.db2.gz PJMZGSQDUIXKHF-RYUDHWBXSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184146 590298397 /nfs/dbraw/zinc/29/83/97/590298397.db2.gz KFPFDRITRMCPMJ-UHFFFAOYSA-N 2 1 248.330 0.674 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877248938 590301702 /nfs/dbraw/zinc/30/17/02/590301702.db2.gz GJJSLFAKVADMHI-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877241311 590302405 /nfs/dbraw/zinc/30/24/05/590302405.db2.gz NCRLQXRAPDSMAT-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000877250324 590303429 /nfs/dbraw/zinc/30/34/29/590303429.db2.gz PEGXUAWKFUXPFX-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272753 590305344 /nfs/dbraw/zinc/30/53/44/590305344.db2.gz KKAUODOUUZRORA-VXGBXAGGSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272930 590305473 /nfs/dbraw/zinc/30/54/73/590305473.db2.gz LTHRLDFXVSCJPB-NEPJUHHUSA-N 2 1 248.330 0.544 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375431 590319879 /nfs/dbraw/zinc/31/98/79/590319879.db2.gz XJHZPSNMZATWOB-WCQYABFASA-N 2 1 239.363 0.395 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877385861 590321086 /nfs/dbraw/zinc/32/10/86/590321086.db2.gz NSHGKOLZQFCHQN-DGCLKSJQSA-N 2 1 248.330 0.592 20 0 BCADMP CN(C/C=C/Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352747 590751999 /nfs/dbraw/zinc/75/19/99/590751999.db2.gz BIPSXMHSTXTRBL-ONEGZZNKSA-N 2 1 245.754 0.445 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571266 590809025 /nfs/dbraw/zinc/80/90/25/590809025.db2.gz OIMIDCZOBCPXFZ-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571266 590809028 /nfs/dbraw/zinc/80/90/28/590809028.db2.gz OIMIDCZOBCPXFZ-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571266 590809031 /nfs/dbraw/zinc/80/90/31/590809031.db2.gz OIMIDCZOBCPXFZ-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571266 590809034 /nfs/dbraw/zinc/80/90/34/590809034.db2.gz OIMIDCZOBCPXFZ-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573765 590809163 /nfs/dbraw/zinc/80/91/63/590809163.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573765 590809166 /nfs/dbraw/zinc/80/91/66/590809166.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573765 590809168 /nfs/dbraw/zinc/80/91/68/590809168.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000879572451 590809206 /nfs/dbraw/zinc/80/92/06/590809206.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000879572451 590809209 /nfs/dbraw/zinc/80/92/09/590809209.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000879572451 590809212 /nfs/dbraw/zinc/80/92/12/590809212.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571265 590810874 /nfs/dbraw/zinc/81/08/74/590810874.db2.gz OIMIDCZOBCPXFZ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571265 590810877 /nfs/dbraw/zinc/81/08/77/590810877.db2.gz OIMIDCZOBCPXFZ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571265 590810879 /nfs/dbraw/zinc/81/08/79/590810879.db2.gz OIMIDCZOBCPXFZ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571265 590810881 /nfs/dbraw/zinc/81/08/81/590810881.db2.gz OIMIDCZOBCPXFZ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)CC[C@H]21 ZINC000879578287 590814879 /nfs/dbraw/zinc/81/48/79/590814879.db2.gz CMPRVYZFIKHBNQ-JHJVBQTASA-N 2 1 240.347 0.428 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)CC[C@H]21 ZINC000879578287 590814884 /nfs/dbraw/zinc/81/48/84/590814884.db2.gz CMPRVYZFIKHBNQ-JHJVBQTASA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3COCCO3)CC[C@H]21 ZINC000879578287 590814888 /nfs/dbraw/zinc/81/48/88/590814888.db2.gz CMPRVYZFIKHBNQ-JHJVBQTASA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3COCCO3)CC[C@H]21 ZINC000879578287 590814892 /nfs/dbraw/zinc/81/48/92/590814892.db2.gz CMPRVYZFIKHBNQ-JHJVBQTASA-N 2 1 240.347 0.428 20 0 BCADMP COC(C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879579662 590817790 /nfs/dbraw/zinc/81/77/90/590817790.db2.gz ARDCYQUECBFKDA-QWRGUYRKSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879579662 590817794 /nfs/dbraw/zinc/81/77/94/590817794.db2.gz ARDCYQUECBFKDA-QWRGUYRKSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879579662 590817795 /nfs/dbraw/zinc/81/77/95/590817795.db2.gz ARDCYQUECBFKDA-QWRGUYRKSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879579662 590817799 /nfs/dbraw/zinc/81/77/99/590817799.db2.gz ARDCYQUECBFKDA-QWRGUYRKSA-N 2 1 228.336 0.631 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582026 590821677 /nfs/dbraw/zinc/82/16/77/590821677.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582026 590821678 /nfs/dbraw/zinc/82/16/78/590821678.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582026 590821680 /nfs/dbraw/zinc/82/16/80/590821680.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583359 590821861 /nfs/dbraw/zinc/82/18/61/590821861.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583359 590821856 /nfs/dbraw/zinc/82/18/56/590821856.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583359 590821859 /nfs/dbraw/zinc/82/18/59/590821859.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583359 590821864 /nfs/dbraw/zinc/82/18/64/590821864.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 2 1 248.374 0.989 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582067 590822814 /nfs/dbraw/zinc/82/28/14/590822814.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582067 590822817 /nfs/dbraw/zinc/82/28/17/590822817.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582067 590822819 /nfs/dbraw/zinc/82/28/19/590822819.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000882485157 591362486 /nfs/dbraw/zinc/36/24/86/591362486.db2.gz FOVWCCZIZCDEQB-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000882486922 591364221 /nfs/dbraw/zinc/36/42/21/591364221.db2.gz YPZKLKKCSPWHQJ-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CC)[NH+](C)C ZINC000882489208 591366751 /nfs/dbraw/zinc/36/67/51/591366751.db2.gz OMUNATTZFBPTIO-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000882495983 591377697 /nfs/dbraw/zinc/37/76/97/591377697.db2.gz XJLHQKRYFWKAJR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000882495983 591377702 /nfs/dbraw/zinc/37/77/02/591377702.db2.gz XJLHQKRYFWKAJR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000882495983 591377706 /nfs/dbraw/zinc/37/77/06/591377706.db2.gz XJLHQKRYFWKAJR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000882496139 591378448 /nfs/dbraw/zinc/37/84/48/591378448.db2.gz PEBNNXYYJBTJBJ-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129768146 591401521 /nfs/dbraw/zinc/40/15/21/591401521.db2.gz WFPJUVHCMJNPHN-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@H](F)CN2)CC1 ZINC000883417384 591652405 /nfs/dbraw/zinc/65/24/05/591652405.db2.gz YMFBHOHOJPOBFR-USWWRNFRSA-N 2 1 229.343 0.746 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000883423464 591658944 /nfs/dbraw/zinc/65/89/44/591658944.db2.gz LPNHKULBKCHBRL-GVXVVHGQSA-N 2 1 241.354 0.855 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000883448534 591670927 /nfs/dbraw/zinc/67/09/27/591670927.db2.gz IECNZSFDFFJGIS-UPJWGTAASA-N 2 1 237.347 0.006 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000132412094 591706733 /nfs/dbraw/zinc/70/67/33/591706733.db2.gz FKYWVRWBIVWPGK-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698076 591722566 /nfs/dbraw/zinc/72/25/66/591722566.db2.gz XGEXRJBFIVQLOE-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873443 591744864 /nfs/dbraw/zinc/74/48/64/591744864.db2.gz HFNDKUBMEPMVOU-IJLUTSLNSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358336 591911856 /nfs/dbraw/zinc/91/18/56/591911856.db2.gz OZDOGFVPWOYYEJ-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357414 591912168 /nfs/dbraw/zinc/91/21/68/591912168.db2.gz XTFOVFRROTZUBN-MXWKQRLJSA-N 2 1 239.363 0.713 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363926 591916800 /nfs/dbraw/zinc/91/68/00/591916800.db2.gz KXUNVXXTTKMZAT-UWVGGRQHSA-N 2 1 236.319 0.434 20 0 BCADMP CCc1cc(NCC[N@H+](C)CCO)nc(C)[nH+]1 ZINC000884824827 592023108 /nfs/dbraw/zinc/02/31/08/592023108.db2.gz PXIBAIUCVXTSDY-UHFFFAOYSA-N 2 1 238.335 0.683 20 0 BCADMP CCc1cc(NCC[N@@H+](C)CCO)nc(C)[nH+]1 ZINC000884824827 592023110 /nfs/dbraw/zinc/02/31/10/592023110.db2.gz PXIBAIUCVXTSDY-UHFFFAOYSA-N 2 1 238.335 0.683 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)C[C@H]2CCCO2)CC1 ZINC000886229230 592181035 /nfs/dbraw/zinc/18/10/35/592181035.db2.gz MVJSFIRSMLWUNT-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)C[C@H]2CCCO2)CC1 ZINC000886229228 592181296 /nfs/dbraw/zinc/18/12/96/592181296.db2.gz MVJSFIRSMLWUNT-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827092 592349733 /nfs/dbraw/zinc/34/97/33/592349733.db2.gz DHEIRAQVDPDUJX-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827092 592349739 /nfs/dbraw/zinc/34/97/39/592349739.db2.gz DHEIRAQVDPDUJX-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841377 592362139 /nfs/dbraw/zinc/36/21/39/592362139.db2.gz JLPSCWLKLLQGJK-WYUUTHIRSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841377 592362141 /nfs/dbraw/zinc/36/21/41/592362141.db2.gz JLPSCWLKLLQGJK-WYUUTHIRSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1C[C@]12CCOC2 ZINC000886841537 592362797 /nfs/dbraw/zinc/36/27/97/592362797.db2.gz OBWFBKCDSINXHG-QBHFIFKDSA-N 2 1 222.332 0.836 20 0 BCADMP c1nnn2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000886857880 592369148 /nfs/dbraw/zinc/36/91/48/592369148.db2.gz DPWSLIUQHHMKIA-GFCCVEGCSA-N 2 1 249.362 0.874 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000886872337 592376278 /nfs/dbraw/zinc/37/62/78/592376278.db2.gz PVPCBUGVSISTTE-ZDUSSCGKSA-N 2 1 249.362 0.744 20 0 BCADMP CC[C@H](C)[C@H]([NH2+]CCn1cc[nH+]c1C)C(N)=O ZINC000887055911 592432401 /nfs/dbraw/zinc/43/24/01/592432401.db2.gz QYMOPFLHFXASGC-ONGXEEELSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCO ZINC000887131081 592449590 /nfs/dbraw/zinc/44/95/90/592449590.db2.gz QQEJNOZRRQJHBX-LBPRGKRZSA-N 2 1 235.331 0.975 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352968 592485425 /nfs/dbraw/zinc/48/54/25/592485425.db2.gz WMEQRHOUXAQMGF-UHFFFAOYSA-N 2 1 222.283 0.706 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349727 592485468 /nfs/dbraw/zinc/48/54/68/592485468.db2.gz GSKZIYCNYWEJMJ-MRVPVSSYSA-N 2 1 234.294 0.707 20 0 BCADMP [NH2+]=C(NCC1CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000887349817 592485815 /nfs/dbraw/zinc/48/58/15/592485815.db2.gz KIMLIYDXXQNESY-NSHDSACASA-N 2 1 236.363 0.995 20 0 BCADMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NCC(F)F ZINC000887358079 592489633 /nfs/dbraw/zinc/48/96/33/592489633.db2.gz QNOIGQVNKLATTK-UHFFFAOYSA-N 2 1 232.278 0.627 20 0 BCADMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NCC(F)F ZINC000887358079 592489635 /nfs/dbraw/zinc/48/96/35/592489635.db2.gz QNOIGQVNKLATTK-UHFFFAOYSA-N 2 1 232.278 0.627 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302716086 592553381 /nfs/dbraw/zinc/55/33/81/592553381.db2.gz ZIHBCIXEAHSLAX-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000857107465 634377228 /nfs/dbraw/zinc/37/72/28/634377228.db2.gz WAXLDMVUZZASTI-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP N[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C12CCC2 ZINC000925705137 634385630 /nfs/dbraw/zinc/38/56/30/634385630.db2.gz HXYQTJKSBFDRNE-KXNHARMFSA-N 2 1 223.364 0.973 20 0 BCADMP C(CN[C@H]1C[NH2+]CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705163 634386942 /nfs/dbraw/zinc/38/69/42/634386942.db2.gz IBNNACODVYJZOG-RYUDHWBXSA-N 2 1 227.352 0.097 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925705906 634388995 /nfs/dbraw/zinc/38/89/95/634388995.db2.gz IYOVYNWXPFQPBN-TUAOUCFPSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000925705906 634388997 /nfs/dbraw/zinc/38/89/97/634388997.db2.gz IYOVYNWXPFQPBN-TUAOUCFPSA-N 2 1 223.364 0.859 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925709817 634407723 /nfs/dbraw/zinc/40/77/23/634407723.db2.gz OQSZEMMZXFNCAA-NEJQNHLGSA-N 2 1 210.321 0.343 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925709813 634408039 /nfs/dbraw/zinc/40/80/39/634408039.db2.gz OQSZEMMZXFNCAA-IFGRULIISA-N 2 1 210.321 0.343 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925712442 634415673 /nfs/dbraw/zinc/41/56/73/634415673.db2.gz UWXSDFYYKBRDNS-GHMZBOCLSA-N 3 1 223.364 0.859 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]CC2CC([NH3+])C2)C12CCC2 ZINC000925727638 634526297 /nfs/dbraw/zinc/52/62/97/634526297.db2.gz AUGGSVRQKIQHNQ-LXKPXOPUSA-N 2 1 209.337 0.583 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253199307 634532056 /nfs/dbraw/zinc/53/20/56/634532056.db2.gz BHQPTPZAEVBQJL-NXEZZACHSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253199307 634532065 /nfs/dbraw/zinc/53/20/65/634532065.db2.gz BHQPTPZAEVBQJL-NXEZZACHSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253236063 634540533 /nfs/dbraw/zinc/54/05/33/634540533.db2.gz NEMHTLDGFULRLU-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253236063 634540534 /nfs/dbraw/zinc/54/05/34/634540534.db2.gz NEMHTLDGFULRLU-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000227433043 634541624 /nfs/dbraw/zinc/54/16/24/634541624.db2.gz DAQADASJTLAFNZ-MFKMUULPSA-N 2 1 239.363 0.727 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125556026 634547092 /nfs/dbraw/zinc/54/70/92/634547092.db2.gz DGTUQKOEUJWAOW-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125562974 634553518 /nfs/dbraw/zinc/55/35/18/634553518.db2.gz SIAQTAXSOSOAFQ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+](C)C1)C2 ZINC000250602144 635487669 /nfs/dbraw/zinc/48/76/69/635487669.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 1 223.364 0.905 20 0 BCADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000250602144 635487683 /nfs/dbraw/zinc/48/76/83/635487683.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 1 223.364 0.905 20 0 BCADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000250602144 635487697 /nfs/dbraw/zinc/48/76/97/635487697.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 1 223.364 0.905 20 0 BCADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000250602144 635487704 /nfs/dbraw/zinc/48/77/04/635487704.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 1 223.364 0.905 20 0 BCADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000250602144 635487713 /nfs/dbraw/zinc/48/77/13/635487713.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 1 223.364 0.905 20 0 BCADMP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858796 635550771 /nfs/dbraw/zinc/55/07/71/635550771.db2.gz CXAKGCZNEKNUJC-UPJWGTAASA-N 2 1 239.363 0.648 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925894513 635619120 /nfs/dbraw/zinc/61/91/20/635619120.db2.gz ZLCZXVIRBSHMTR-DCAQKATOSA-N 2 1 249.362 0.403 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891439367 631272199 /nfs/dbraw/zinc/27/21/99/631272199.db2.gz KHPVNPDUXNELIF-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000891439881 631282250 /nfs/dbraw/zinc/28/22/50/631282250.db2.gz GKSMALQPWAHSHA-NSHDSACASA-N 2 1 225.336 0.135 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173422 631378505 /nfs/dbraw/zinc/37/85/05/631378505.db2.gz KOSJQVXDFDKRSV-DGAVXFQQSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173422 631378508 /nfs/dbraw/zinc/37/85/08/631378508.db2.gz KOSJQVXDFDKRSV-DGAVXFQQSA-N 2 1 236.359 0.997 20 0 BCADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC)C1)[NH+](C)C ZINC000971777817 631453412 /nfs/dbraw/zinc/45/34/12/631453412.db2.gz HTKLNAIDIIXUAZ-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022293535 631463307 /nfs/dbraw/zinc/46/33/07/631463307.db2.gz UJNMXMARYCDPEM-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000087976788 631486297 /nfs/dbraw/zinc/48/62/97/631486297.db2.gz SMVLKPLLROJFGK-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000087976788 631486305 /nfs/dbraw/zinc/48/63/05/631486305.db2.gz SMVLKPLLROJFGK-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000933734401 631495609 /nfs/dbraw/zinc/49/56/09/631495609.db2.gz SATYXFWWJZYQBI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000933734401 631495625 /nfs/dbraw/zinc/49/56/25/631495625.db2.gz SATYXFWWJZYQBI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000933734401 631495634 /nfs/dbraw/zinc/49/56/34/631495634.db2.gz SATYXFWWJZYQBI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000933734401 631495641 /nfs/dbraw/zinc/49/56/41/631495641.db2.gz SATYXFWWJZYQBI-OLZOCXBDSA-N 2 1 234.347 0.836 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741057 631499405 /nfs/dbraw/zinc/49/94/05/631499405.db2.gz QINIIITXUJFQLY-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741057 631499410 /nfs/dbraw/zinc/49/94/10/631499410.db2.gz QINIIITXUJFQLY-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741057 631499412 /nfs/dbraw/zinc/49/94/12/631499412.db2.gz QINIIITXUJFQLY-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741057 631499415 /nfs/dbraw/zinc/49/94/15/631499415.db2.gz QINIIITXUJFQLY-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@H]1CCC[NH+]1C ZINC000933863720 631535669 /nfs/dbraw/zinc/53/56/69/631535669.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](CCC(=O)NC)CC[C@H]1CCC[N@@H+]1C ZINC000933863720 631535671 /nfs/dbraw/zinc/53/56/71/631535671.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](CCC(=O)NC)CC[C@H]1CCC[N@H+]1C ZINC000933863720 631535674 /nfs/dbraw/zinc/53/56/74/631535674.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@@H]1CCC[NH+]1C ZINC000933863722 631537272 /nfs/dbraw/zinc/53/72/72/631537272.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](CCC(=O)NC)CC[C@@H]1CCC[N@@H+]1C ZINC000933863722 631537279 /nfs/dbraw/zinc/53/72/79/631537279.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+](CCC(=O)NC)CC[C@@H]1CCC[N@H+]1C ZINC000933863722 631537282 /nfs/dbraw/zinc/53/72/82/631537282.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]1CO ZINC000934028229 631626744 /nfs/dbraw/zinc/62/67/44/631626744.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1CO ZINC000934028229 631626749 /nfs/dbraw/zinc/62/67/49/631626749.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1CO ZINC000934028229 631626753 /nfs/dbraw/zinc/62/67/53/631626753.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]1CO ZINC000934028229 631626758 /nfs/dbraw/zinc/62/67/58/631626758.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]1CO ZINC000934028229 631626762 /nfs/dbraw/zinc/62/67/62/631626762.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP CCNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000308946639 631743203 /nfs/dbraw/zinc/74/32/03/631743203.db2.gz WILFBYWXKUJTSZ-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP Cl/C=C\C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000308970703 631773861 /nfs/dbraw/zinc/77/38/61/631773861.db2.gz PEMGGVPPVYQXMI-DGWOPVBCSA-N 2 1 229.755 0.718 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000309056113 631833720 /nfs/dbraw/zinc/83/37/20/631833720.db2.gz FHZDWNAEENGALZ-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004789 631904173 /nfs/dbraw/zinc/90/41/73/631904173.db2.gz ZUGSSHGJPPXZJF-QWRGUYRKSA-N 2 1 242.367 0.477 20 0 BCADMP c1cncc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000077403798 632009787 /nfs/dbraw/zinc/00/97/87/632009787.db2.gz KFXFLVRLHLCZMN-AWEZNQCLSA-N 2 1 246.358 0.561 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250418874 635698483 /nfs/dbraw/zinc/69/84/83/635698483.db2.gz OZKVBWGDKLLANZ-AYLPWXGPSA-N 2 1 228.336 0.209 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251860233 635707942 /nfs/dbraw/zinc/70/79/42/635707942.db2.gz SRLZDYYUQCUDMJ-IWSPIJDZSA-N 2 1 240.269 0.969 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251860233 635707947 /nfs/dbraw/zinc/70/79/47/635707947.db2.gz SRLZDYYUQCUDMJ-IWSPIJDZSA-N 2 1 240.269 0.969 20 0 BCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1CCC[NH3+] ZINC000108362565 635816630 /nfs/dbraw/zinc/81/66/30/635816630.db2.gz SSNSCKPAGRAVJM-LBPRGKRZSA-N 2 1 213.369 0.997 20 0 BCADMP CC(C)C[C@H]1CN(C)CC[N@@H+]1CCC[NH3+] ZINC000108362565 635816637 /nfs/dbraw/zinc/81/66/37/635816637.db2.gz SSNSCKPAGRAVJM-LBPRGKRZSA-N 2 1 213.369 0.997 20 0 BCADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CCC[NH3+] ZINC000108362565 635816643 /nfs/dbraw/zinc/81/66/43/635816643.db2.gz SSNSCKPAGRAVJM-LBPRGKRZSA-N 2 1 213.369 0.997 20 0 BCADMP Cc1nn(C)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000126761052 632395235 /nfs/dbraw/zinc/39/52/35/632395235.db2.gz JEFUMHINKRSJKI-GHMZBOCLSA-N 2 1 220.320 0.380 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130139741 632439456 /nfs/dbraw/zinc/43/94/56/632439456.db2.gz MNCNNPRXMOZKPN-GRYCIOLGSA-N 2 1 241.379 0.959 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089146222 632656978 /nfs/dbraw/zinc/65/69/78/632656978.db2.gz SORSXPKQUKCVLV-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089146222 632656979 /nfs/dbraw/zinc/65/69/79/632656979.db2.gz SORSXPKQUKCVLV-CHWSQXEVSA-N 2 1 243.395 0.672 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)[N@@H+](C)C1CC1 ZINC000310190352 632706694 /nfs/dbraw/zinc/70/66/94/632706694.db2.gz XSKJDSJIUARBSK-CABZTGNLSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000052043911 632782126 /nfs/dbraw/zinc/78/21/26/632782126.db2.gz QPPAVYGFQQICCC-SNVBAGLBSA-N 2 1 212.341 0.851 20 0 BCADMP CO[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309241984 632836460 /nfs/dbraw/zinc/83/64/60/632836460.db2.gz LYMXEBFQGQSKDA-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309241984 632836463 /nfs/dbraw/zinc/83/64/63/632836463.db2.gz LYMXEBFQGQSKDA-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924994334 635832706 /nfs/dbraw/zinc/83/27/06/635832706.db2.gz PKGFERNCOQWRLZ-UPJWGTAASA-N 2 1 246.395 0.828 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC1 ZINC000925022469 635855575 /nfs/dbraw/zinc/85/55/75/635855575.db2.gz IIDWJRPPYLVAKF-FOSCPWQOSA-N 2 1 224.348 0.831 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000309317968 632928735 /nfs/dbraw/zinc/92/87/35/632928735.db2.gz OJECFUZGHNWKOV-GFCCVEGCSA-N 2 1 244.404 0.738 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@@H]21 ZINC000164395302 633077782 /nfs/dbraw/zinc/07/77/82/633077782.db2.gz BYXUVDIVVTWQJG-LMLFDSFASA-N 2 1 224.304 0.361 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529326 633131675 /nfs/dbraw/zinc/13/16/75/633131675.db2.gz LSOVBMQQVFRIGH-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430267 635912880 /nfs/dbraw/zinc/91/28/80/635912880.db2.gz VNGARZGUWMLPED-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430267 635912884 /nfs/dbraw/zinc/91/28/84/635912884.db2.gz VNGARZGUWMLPED-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430267 635912888 /nfs/dbraw/zinc/91/28/88/635912888.db2.gz VNGARZGUWMLPED-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430267 635912892 /nfs/dbraw/zinc/91/28/92/635912892.db2.gz VNGARZGUWMLPED-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000309763994 633243362 /nfs/dbraw/zinc/24/33/62/633243362.db2.gz JFURTZRCAOZBEK-MNOVXSKESA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCNCC1 ZINC000309763994 633243366 /nfs/dbraw/zinc/24/33/66/633243366.db2.gz JFURTZRCAOZBEK-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCNCC1 ZINC000309763994 633243369 /nfs/dbraw/zinc/24/33/69/633243369.db2.gz JFURTZRCAOZBEK-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928440025 635937347 /nfs/dbraw/zinc/93/73/47/635937347.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928440025 635937352 /nfs/dbraw/zinc/93/73/52/635937352.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928440025 635937357 /nfs/dbraw/zinc/93/73/57/635937357.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 2 1 225.336 0.147 20 0 BCADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928560189 636104323 /nfs/dbraw/zinc/10/43/23/636104323.db2.gz PVUIEULDHVUEQE-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP Cn1nccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328463852 633768202 /nfs/dbraw/zinc/76/82/02/633768202.db2.gz WEZYKFSGEZXWOW-SZZQBSIJSA-N 2 1 246.358 0.549 20 0 BCADMP C[N@H+]1CCC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328566308 633774990 /nfs/dbraw/zinc/77/49/90/633774990.db2.gz MPAZSTLPBCUMJX-DBWOOVFOSA-N 2 1 249.402 0.914 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020029042 633806925 /nfs/dbraw/zinc/80/69/25/633806925.db2.gz RXRQHRWFTQUMRT-IJLUTSLNSA-N 2 1 239.363 0.726 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983013 634025554 /nfs/dbraw/zinc/02/55/54/634025554.db2.gz NLWVWGXHLGZBCF-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309854126 634031769 /nfs/dbraw/zinc/03/17/69/634031769.db2.gz JVLXHWZWFXBPOR-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000925642081 634189453 /nfs/dbraw/zinc/18/94/53/634189453.db2.gz DSVMFXZFYJNZLX-JTQLQIEISA-N 2 1 212.337 0.879 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925674848 634258579 /nfs/dbraw/zinc/25/85/79/634258579.db2.gz DELRBNNZSPFQBD-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP COCC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674219 634258678 /nfs/dbraw/zinc/25/86/78/634258678.db2.gz AGHKRZCNBSUNEV-VXGBXAGGSA-N 2 1 242.363 0.912 20 0 BCADMP COCC[C@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674215 634259449 /nfs/dbraw/zinc/25/94/49/634259449.db2.gz AGHKRZCNBSUNEV-NEPJUHHUSA-N 2 1 242.363 0.912 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925687280 634302891 /nfs/dbraw/zinc/30/28/91/634302891.db2.gz HVUKZWCXZSHYRV-IUCAKERBSA-N 2 1 213.325 0.241 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NC1CCC([NH3+])CC1 ZINC000925693034 634324138 /nfs/dbraw/zinc/32/41/38/634324138.db2.gz NRBSDLUWHUJUEU-ILDUYXDCSA-N 2 1 211.353 0.986 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925692958 634328792 /nfs/dbraw/zinc/32/87/92/634328792.db2.gz PQAGLFVTFNDLQW-WRWGMCAJSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC(F)(F)C[NH3+] ZINC000925699660 634366179 /nfs/dbraw/zinc/36/61/79/634366179.db2.gz PFAYXPSMPGGUIW-YUMQZZPRSA-N 2 1 207.268 0.311 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000857102794 634373742 /nfs/dbraw/zinc/37/37/42/634373742.db2.gz NKJKTMBQHJTQEU-DCAQKATOSA-N 2 1 242.367 0.506 20 0 BCADMP CCCNc1cc(NC2C[NH2+]C2)nc[nH+]1 ZINC000258680532 635188253 /nfs/dbraw/zinc/18/82/53/635188253.db2.gz PHVPGVZHESNEQV-UHFFFAOYSA-N 2 1 207.281 0.682 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000925796986 635334487 /nfs/dbraw/zinc/33/44/87/635334487.db2.gz SQOCUMWWAYAILN-FDYHWXHSSA-N 3 1 225.380 0.820 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665282719 636103506 /nfs/dbraw/zinc/10/35/06/636103506.db2.gz AKWFMPXIGUEEQP-LOWDOPEQSA-N 3 1 243.395 0.702 20 0 BCADMP C[N@@H+](CCn1cccn1)C1CC[NH2+]CC1 ZINC000049326165 636258709 /nfs/dbraw/zinc/25/87/09/636258709.db2.gz NEOLGMLGVXUHNN-UHFFFAOYSA-N 2 1 208.309 0.567 20 0 BCADMP C([C@H]1CCCOC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000928997889 636699325 /nfs/dbraw/zinc/69/93/25/636699325.db2.gz PABASKDLQWTDLR-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706451 636931426 /nfs/dbraw/zinc/93/14/26/636931426.db2.gz BSHYSZAXROSKDY-MXWKQRLJSA-N 2 1 239.319 0.262 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866702733 636932240 /nfs/dbraw/zinc/93/22/40/636932240.db2.gz AIOAKNGIXHYMDR-YNEHKIRRSA-N 2 1 223.364 0.622 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)CCOC)C[NH+](C)C ZINC000926966835 636976980 /nfs/dbraw/zinc/97/69/80/636976980.db2.gz YHDBODCNVFYUOQ-NWDGAFQWSA-N 2 1 232.368 0.968 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873202135 636980342 /nfs/dbraw/zinc/98/03/42/636980342.db2.gz UPOZZHPGXQDARS-RKDXNWHRSA-N 2 1 221.308 0.228 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873202135 636980347 /nfs/dbraw/zinc/98/03/47/636980347.db2.gz UPOZZHPGXQDARS-RKDXNWHRSA-N 2 1 221.308 0.228 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000924707269 637015497 /nfs/dbraw/zinc/01/54/97/637015497.db2.gz TYJINHUKZNECRO-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000924707269 637015504 /nfs/dbraw/zinc/01/55/04/637015504.db2.gz TYJINHUKZNECRO-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000042308389 637169687 /nfs/dbraw/zinc/16/96/87/637169687.db2.gz QYVQIHARHSVCMZ-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903463506 637363774 /nfs/dbraw/zinc/36/37/74/637363774.db2.gz CXCZNZKRZJIZBW-AGIUHOORSA-N 2 1 249.362 0.456 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000903463659 637363803 /nfs/dbraw/zinc/36/38/03/637363803.db2.gz IHRQFWXCDYLRRQ-XQHKEYJVSA-N 2 1 224.348 0.810 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1COCCO1 ZINC000903463471 637364145 /nfs/dbraw/zinc/36/41/45/637364145.db2.gz BYTUXLXFARXSPP-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000903463408 637364405 /nfs/dbraw/zinc/36/44/05/637364405.db2.gz ADZBFNBAKXVHFJ-PWSUYJOCSA-N 2 1 249.358 0.712 20 0 BCADMP Cn1nccc1[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903565712 637371177 /nfs/dbraw/zinc/37/11/77/637371177.db2.gz CNPIGRGEIDBJIU-NSHDSACASA-N 2 1 208.309 0.906 20 0 BCADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000903565712 637371179 /nfs/dbraw/zinc/37/11/79/637371179.db2.gz CNPIGRGEIDBJIU-NSHDSACASA-N 2 1 208.309 0.906 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722133 637378778 /nfs/dbraw/zinc/37/87/78/637378778.db2.gz HLJCYTUZOOVBPV-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722133 637378786 /nfs/dbraw/zinc/37/87/86/637378786.db2.gz HLJCYTUZOOVBPV-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000903722928 637379844 /nfs/dbraw/zinc/37/98/44/637379844.db2.gz QQFFHVIADWKXFK-STQMWFEESA-N 2 1 240.347 0.477 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903788586 637382221 /nfs/dbraw/zinc/38/22/21/637382221.db2.gz OHKJPCYZMRQVBR-QWRGUYRKSA-N 2 1 230.352 0.565 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000903788865 637383612 /nfs/dbraw/zinc/38/36/12/637383612.db2.gz RTFQRLXYJABESV-WDEREUQCSA-N 2 1 237.351 0.715 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000904429191 637398039 /nfs/dbraw/zinc/39/80/39/637398039.db2.gz YYXFGUQATYCVFS-SNVBAGLBSA-N 2 1 241.335 0.544 20 0 BCADMP C[NH+](C)CC(N)=NOCC[NH+]1CCCCC1 ZINC000904437499 637405088 /nfs/dbraw/zinc/40/50/88/637405088.db2.gz MEKNRCRWYPBHBQ-UHFFFAOYSA-N 2 1 228.340 0.532 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000904451658 637416853 /nfs/dbraw/zinc/41/68/53/637416853.db2.gz YUOXHZMDLXNUPK-UHFFFAOYSA-N 2 1 243.314 0.848 20 0 BCADMP NC(=O)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904451652 637416893 /nfs/dbraw/zinc/41/68/93/637416893.db2.gz YJOYGPCIQOYXGX-UHFFFAOYSA-N 2 1 219.288 0.366 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000904929358 637531775 /nfs/dbraw/zinc/53/17/75/637531775.db2.gz PIOLRPJZXDPYTQ-KWQFWETISA-N 2 1 249.305 0.569 20 0 BCADMP [NH2+]=C(NCC[NH+]1CCC1)NC[C@@H]1CCCS1 ZINC000905050370 637568716 /nfs/dbraw/zinc/56/87/16/637568716.db2.gz VKXYVTCJLOJCPL-JTQLQIEISA-N 2 1 242.392 0.702 20 0 BCADMP CC(C)([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905317074 637742981 /nfs/dbraw/zinc/74/29/81/637742981.db2.gz FQENWTSBEIIBBO-UHFFFAOYSA-N 2 1 224.308 0.806 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905323659 637750396 /nfs/dbraw/zinc/75/03/96/637750396.db2.gz HELOCCCJSYTLSK-SFYZADRCSA-N 2 1 222.292 0.873 20 0 BCADMP CC[C@@](C)(C[NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905325159 637753758 /nfs/dbraw/zinc/75/37/58/637753758.db2.gz QGXMIXSOMGBXOU-VIFPVBQESA-N 2 1 210.281 0.644 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905355629 637775646 /nfs/dbraw/zinc/77/56/46/637775646.db2.gz ZBAZRQUPVOWGRI-STQMWFEESA-N 2 1 238.331 0.198 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@@H](O)CC)C[NH+](C)C ZINC000905581072 637853373 /nfs/dbraw/zinc/85/33/73/637853373.db2.gz SHUJHMZDLCOTQS-QWRGUYRKSA-N 2 1 218.341 0.314 20 0 BCADMP CCO[C@H](C[NH2+]C[C@H](O)C1CC1)C[NH+](C)C ZINC000905580745 637853529 /nfs/dbraw/zinc/85/35/29/637853529.db2.gz PHNIBFMCJFRGEI-NEPJUHHUSA-N 2 1 230.352 0.314 20 0 BCADMP CCO[C@@H](C[NH2+]CC1(O)CCCC1)C[NH+](C)C ZINC000905578609 637853767 /nfs/dbraw/zinc/85/37/67/637853767.db2.gz FGSIURHOWSHEAR-LBPRGKRZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H](O)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906517602 638188148 /nfs/dbraw/zinc/18/81/48/638188148.db2.gz IMELDRJIZSPPTI-BWZBUEFSSA-N 2 1 227.333 0.776 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310823 639695731 /nfs/dbraw/zinc/69/57/31/639695731.db2.gz PWRLKTDREJZLNV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310823 639695737 /nfs/dbraw/zinc/69/57/37/639695737.db2.gz PWRLKTDREJZLNV-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652500 639710699 /nfs/dbraw/zinc/71/06/99/639710699.db2.gz UWDZUEDONHMGIC-GHMZBOCLSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911748380 639772678 /nfs/dbraw/zinc/77/26/78/639772678.db2.gz LXXAKFHNBQXIPV-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739258 639763938 /nfs/dbraw/zinc/76/39/38/639763938.db2.gz SBYCVWYCBWDWSL-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000911740021 639767001 /nfs/dbraw/zinc/76/70/01/639767001.db2.gz GNIBAGKPHIZMNF-BQBZGAKWSA-N 2 1 242.348 0.630 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000911748432 639773408 /nfs/dbraw/zinc/77/34/08/639773408.db2.gz MSECJGIQCXQKII-SNVBAGLBSA-N 2 1 236.319 0.090 20 0 BCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1CCc1c[nH+]cn1C ZINC000931036140 640030125 /nfs/dbraw/zinc/03/01/25/640030125.db2.gz CEUHXCNMUGVTBF-DGCLKSJQSA-N 2 1 236.363 0.987 20 0 BCADMP CC[C@H](CO)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076586 640060081 /nfs/dbraw/zinc/06/00/81/640060081.db2.gz UHAWBRHYIXTFIM-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275845 640120705 /nfs/dbraw/zinc/12/07/05/640120705.db2.gz ANOGPKDPPRYFBG-PEBLQZBPSA-N 2 1 236.359 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275845 640120710 /nfs/dbraw/zinc/12/07/10/640120710.db2.gz ANOGPKDPPRYFBG-PEBLQZBPSA-N 2 1 236.359 0.905 20 0 BCADMP CC(C)[C@@H](O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278477 640129099 /nfs/dbraw/zinc/12/90/99/640129099.db2.gz XRUYUBOIKAFHMF-QNWHQSFQSA-N 2 1 226.364 0.885 20 0 BCADMP CC(C)[C@@H](O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278477 640129101 /nfs/dbraw/zinc/12/91/01/640129101.db2.gz XRUYUBOIKAFHMF-QNWHQSFQSA-N 2 1 226.364 0.885 20 0 BCADMP CNC(=O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307868 640144276 /nfs/dbraw/zinc/14/42/76/640144276.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307868 640144280 /nfs/dbraw/zinc/14/42/80/640144280.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931307868 640144282 /nfs/dbraw/zinc/14/42/82/640144282.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 2 1 239.363 0.396 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931307868 640144289 /nfs/dbraw/zinc/14/42/89/640144289.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H](O)[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356245 640170774 /nfs/dbraw/zinc/17/07/74/640170774.db2.gz TWQAEUHLVHMIQM-GHMZBOCLSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356248 640171139 /nfs/dbraw/zinc/17/11/39/640171139.db2.gz TWQAEUHLVHMIQM-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931425127 640193642 /nfs/dbraw/zinc/19/36/42/640193642.db2.gz FOHPDVHWRVLHNB-SDDRHHMPSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931425127 640193650 /nfs/dbraw/zinc/19/36/50/640193650.db2.gz FOHPDVHWRVLHNB-SDDRHHMPSA-N 2 1 239.363 0.347 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436839 640203157 /nfs/dbraw/zinc/20/31/57/640203157.db2.gz NEKQIXSAHNBMOB-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436839 640203162 /nfs/dbraw/zinc/20/31/62/640203162.db2.gz NEKQIXSAHNBMOB-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436839 640203168 /nfs/dbraw/zinc/20/31/68/640203168.db2.gz NEKQIXSAHNBMOB-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436840 640204087 /nfs/dbraw/zinc/20/40/87/640204087.db2.gz NEKQIXSAHNBMOB-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436840 640204095 /nfs/dbraw/zinc/20/40/95/640204095.db2.gz NEKQIXSAHNBMOB-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436840 640204100 /nfs/dbraw/zinc/20/41/00/640204100.db2.gz NEKQIXSAHNBMOB-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931439504 640207583 /nfs/dbraw/zinc/20/75/83/640207583.db2.gz NTRQWWIJRJHETG-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1=O ZINC000931439504 640207591 /nfs/dbraw/zinc/20/75/91/640207591.db2.gz NTRQWWIJRJHETG-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000931439504 640207598 /nfs/dbraw/zinc/20/75/98/640207598.db2.gz NTRQWWIJRJHETG-TUAOUCFPSA-N 2 1 237.347 0.101 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931470738 640228829 /nfs/dbraw/zinc/22/88/29/640228829.db2.gz HHUOIVLZGOCOMU-RYUDHWBXSA-N 2 1 244.379 0.534 20 0 BCADMP COCC(COC)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931548313 640268134 /nfs/dbraw/zinc/26/81/34/640268134.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931548313 640268143 /nfs/dbraw/zinc/26/81/43/640268143.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931548313 640268146 /nfs/dbraw/zinc/26/81/46/640268146.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 2 1 242.363 0.674 20 0 BCADMP CNC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000151031371 640277039 /nfs/dbraw/zinc/27/70/39/640277039.db2.gz NEOWHJGIBYZTAP-UHFFFAOYSA-N 2 1 213.325 0.006 20 0 BCADMP CC[NH2+]CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000044646681 640446675 /nfs/dbraw/zinc/44/66/75/640446675.db2.gz UMZUJSCZQLLVQL-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044648404 640446678 /nfs/dbraw/zinc/44/66/78/640446678.db2.gz UIKVXZHHEPCHLM-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@H]1CCC[NH+]1C ZINC000932478696 640546086 /nfs/dbraw/zinc/54/60/86/640546086.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CC[NH+](CCC(N)=O)CC[C@H]1CCC[N@@H+]1C ZINC000932478696 640546088 /nfs/dbraw/zinc/54/60/88/640546088.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CC[NH+](CCC(N)=O)CC[C@H]1CCC[N@H+]1C ZINC000932478696 640546091 /nfs/dbraw/zinc/54/60/91/640546091.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP COC[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000045655930 640616758 /nfs/dbraw/zinc/61/67/58/640616758.db2.gz IOZYJJDAZJYYHV-JTQLQIEISA-N 2 1 200.326 0.953 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035503 640725979 /nfs/dbraw/zinc/72/59/79/640725979.db2.gz BXYXYMQGJFHTTF-MXWKQRLJSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328417 640747131 /nfs/dbraw/zinc/74/71/31/640747131.db2.gz MTILQJLYMFVXPO-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226330042 640747263 /nfs/dbraw/zinc/74/72/63/640747263.db2.gz QOSFJUPIPUAASI-WDEREUQCSA-N 2 1 216.325 0.055 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000226328944 640748104 /nfs/dbraw/zinc/74/81/04/640748104.db2.gz XWESNKIIEFVGEG-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733640 640760637 /nfs/dbraw/zinc/76/06/37/640760637.db2.gz HDNLEZQJYTVYGG-RWMBFGLXSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733640 640760641 /nfs/dbraw/zinc/76/06/41/640760641.db2.gz HDNLEZQJYTVYGG-RWMBFGLXSA-N 2 1 226.364 0.887 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733640 640760647 /nfs/dbraw/zinc/76/06/47/640760647.db2.gz HDNLEZQJYTVYGG-RWMBFGLXSA-N 2 1 226.364 0.887 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226419818 640762491 /nfs/dbraw/zinc/76/24/91/640762491.db2.gz CFSBZJHIASWXBF-LLVKDONJSA-N 2 1 200.326 0.820 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC000158110367 640806187 /nfs/dbraw/zinc/80/61/87/640806187.db2.gz GQXVTZVLTGISIL-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227765845 640847987 /nfs/dbraw/zinc/84/79/87/640847987.db2.gz SMCCBDBBJSPTQV-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258379 640938944 /nfs/dbraw/zinc/93/89/44/640938944.db2.gz UWPDXNRDSQTOHX-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258312 640940227 /nfs/dbraw/zinc/94/02/27/640940227.db2.gz GSXOCLCQCYJLDV-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[N@@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000063121311 641134394 /nfs/dbraw/zinc/13/43/94/641134394.db2.gz TZCUADVNVPRCKM-UHFFFAOYSA-N 2 1 200.326 0.642 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000935042733 641324740 /nfs/dbraw/zinc/32/47/40/641324740.db2.gz DXULJPNYSKPRIQ-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000935042733 641324746 /nfs/dbraw/zinc/32/47/46/641324746.db2.gz DXULJPNYSKPRIQ-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCOC2)CC1 ZINC000088714457 641381521 /nfs/dbraw/zinc/38/15/21/641381521.db2.gz CGPXXQSOUCLQOH-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP C[N@@H+](CC(=O)NC12CC[NH+](CC1)C2)C1CCC1 ZINC000913635074 641436931 /nfs/dbraw/zinc/43/69/31/641436931.db2.gz POPBLSPNZRBVKJ-UHFFFAOYSA-N 2 1 237.347 0.435 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@@H]21 ZINC000913760941 641468171 /nfs/dbraw/zinc/46/81/71/641468171.db2.gz UJWGLDYEHQOEMF-PWSUYJOCSA-N 2 1 248.330 0.505 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833659 641614392 /nfs/dbraw/zinc/61/43/92/641614392.db2.gz BHBUPWOXQVLCFX-MNOVXSKESA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000914391399 641657664 /nfs/dbraw/zinc/65/76/64/641657664.db2.gz IHKBVFVXHJBIDT-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000914391399 641657665 /nfs/dbraw/zinc/65/76/65/641657665.db2.gz IHKBVFVXHJBIDT-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914391399 641657669 /nfs/dbraw/zinc/65/76/69/641657669.db2.gz IHKBVFVXHJBIDT-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445805 641710084 /nfs/dbraw/zinc/71/00/84/641710084.db2.gz QBNPXIFCXKXWHM-RNFRBKRXSA-N 2 1 212.215 0.190 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445805 641710086 /nfs/dbraw/zinc/71/00/86/641710086.db2.gz QBNPXIFCXKXWHM-RNFRBKRXSA-N 2 1 212.215 0.190 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NCC(C)(C)[NH3+] ZINC000160050252 641712308 /nfs/dbraw/zinc/71/23/08/641712308.db2.gz JOZZTQQVZGGUMJ-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000227166149 641728762 /nfs/dbraw/zinc/72/87/62/641728762.db2.gz ITYHMKRSPRLNGQ-OUAUKWLOSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000915153324 641806111 /nfs/dbraw/zinc/80/61/11/641806111.db2.gz NMUSAOKXYWPHKY-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260901 641867666 /nfs/dbraw/zinc/86/76/66/641867666.db2.gz WYZQOXITOQRXOS-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260901 641867667 /nfs/dbraw/zinc/86/76/67/641867667.db2.gz WYZQOXITOQRXOS-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000078741685 641948710 /nfs/dbraw/zinc/94/87/10/641948710.db2.gz HIZDCXVHIXJZQN-NSHDSACASA-N 2 1 229.368 0.783 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385113 642049757 /nfs/dbraw/zinc/04/97/57/642049757.db2.gz VDBBPDSYJBVTLK-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385113 642049762 /nfs/dbraw/zinc/04/97/62/642049762.db2.gz VDBBPDSYJBVTLK-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930001222 642139939 /nfs/dbraw/zinc/13/99/39/642139939.db2.gz SCIZLDVEADZFJO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930001222 642139945 /nfs/dbraw/zinc/13/99/45/642139945.db2.gz SCIZLDVEADZFJO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930001222 642139954 /nfs/dbraw/zinc/13/99/54/642139954.db2.gz SCIZLDVEADZFJO-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CN1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000154707064 642189938 /nfs/dbraw/zinc/18/99/38/642189938.db2.gz OSFZNDBURHZDIC-LBPRGKRZSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307933105 642349287 /nfs/dbraw/zinc/34/92/87/642349287.db2.gz DHRBIUUBNSEVMQ-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307933105 642349293 /nfs/dbraw/zinc/34/92/93/642349293.db2.gz DHRBIUUBNSEVMQ-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000307940737 642350886 /nfs/dbraw/zinc/35/08/86/642350886.db2.gz NMBLHSAFAMGPIW-MRVPVSSYSA-N 2 1 226.242 0.723 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681016 642571063 /nfs/dbraw/zinc/57/10/63/642571063.db2.gz BVBSJTYEVHNBDP-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000253267473 642631219 /nfs/dbraw/zinc/63/12/19/642631219.db2.gz YGDVMBHWLBSVPP-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000253267473 642631224 /nfs/dbraw/zinc/63/12/24/642631224.db2.gz YGDVMBHWLBSVPP-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000233952507 642713470 /nfs/dbraw/zinc/71/34/70/642713470.db2.gz XXVAUFSHHMHOAW-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000233952507 642713477 /nfs/dbraw/zinc/71/34/77/642713477.db2.gz XXVAUFSHHMHOAW-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(C)OCCO2)CC[N@@H+]1C ZINC000179573175 642727026 /nfs/dbraw/zinc/72/70/26/642727026.db2.gz AFHYWBFNUMEKCJ-WDEREUQCSA-N 2 1 228.336 0.822 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(C)OCCO2)CC[N@H+]1C ZINC000179573175 642727046 /nfs/dbraw/zinc/72/70/46/642727046.db2.gz AFHYWBFNUMEKCJ-WDEREUQCSA-N 2 1 228.336 0.822 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962578713 642731229 /nfs/dbraw/zinc/73/12/29/642731229.db2.gz QNANAUJFHDFMCR-PJXYFTJBSA-N 2 1 237.347 0.149 20 0 BCADMP CN(CC1OCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182343148 642999633 /nfs/dbraw/zinc/99/96/33/642999633.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 1 228.336 0.633 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001019044471 643018139 /nfs/dbraw/zinc/01/81/39/643018139.db2.gz VAHRSHYSNQYLNW-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304542800 643124974 /nfs/dbraw/zinc/12/49/74/643124974.db2.gz KZLVCWSFXTXSHW-GHMZBOCLSA-N 2 1 224.352 0.654 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976968 643147245 /nfs/dbraw/zinc/14/72/45/643147245.db2.gz UQGNMWQSFJVUDE-CMPLNLGQSA-N 2 1 239.363 0.252 20 0 BCADMP C=CCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000066246535 643165433 /nfs/dbraw/zinc/16/54/33/643165433.db2.gz SWRMYDURQLMABS-UHFFFAOYSA-N 2 1 212.341 0.807 20 0 BCADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000233765671 643245098 /nfs/dbraw/zinc/24/50/98/643245098.db2.gz JYFCLNQRRADIEP-VHSXEESVSA-N 2 1 200.326 0.999 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020589758 643221809 /nfs/dbraw/zinc/22/18/09/643221809.db2.gz BITUELQICLHCJD-FIQHERPVSA-N 2 1 239.363 0.441 20 0 BCADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000233761210 643245744 /nfs/dbraw/zinc/24/57/44/643245744.db2.gz JYFCLNQRRADIEP-UWVGGRQHSA-N 2 1 200.326 0.999 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000082241804 643279817 /nfs/dbraw/zinc/27/98/17/643279817.db2.gz CIBLYKQFBCMEGR-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000082474936 643318818 /nfs/dbraw/zinc/31/88/18/643318818.db2.gz RKLMGBWHJOZSHX-WCBMZHEXSA-N 2 1 212.293 0.361 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021049921 643394930 /nfs/dbraw/zinc/39/49/30/643394930.db2.gz YLGYBOMCXWYNEE-GMTAPVOTSA-N 2 1 243.326 0.144 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721139 643450381 /nfs/dbraw/zinc/45/03/81/643450381.db2.gz JWHBAOCGQNSJIU-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998554584 643712220 /nfs/dbraw/zinc/71/22/20/643712220.db2.gz YYPNLTMOFCEKAS-MCIGGMRASA-N 2 1 239.363 0.680 20 0 BCADMP COCCOCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869726 643824314 /nfs/dbraw/zinc/82/43/14/643824314.db2.gz ZXUSLAJRGGCQJX-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP C[N@@H+](CC(=O)NC1CC1)C1CCC([NH3+])CC1 ZINC000085869923 643824494 /nfs/dbraw/zinc/82/44/94/643824494.db2.gz VSNDFCOBRGXWOG-UHFFFAOYSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086068429 643898457 /nfs/dbraw/zinc/89/84/57/643898457.db2.gz VRFJANZHTJHVPI-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP CCO[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000922757768 644088219 /nfs/dbraw/zinc/08/82/19/644088219.db2.gz LSVRYJJIQSCPBN-YNEHKIRRSA-N 2 1 243.395 0.493 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+](C)C ZINC000922758985 644089599 /nfs/dbraw/zinc/08/95/99/644089599.db2.gz ZWFCRVHHDHQHON-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP CC(C)CNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000321867164 644176087 /nfs/dbraw/zinc/17/60/87/644176087.db2.gz ZPXDCWOOSNXXND-UHFFFAOYSA-N 2 1 242.367 0.213 20 0 BCADMP C[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000193135973 644215606 /nfs/dbraw/zinc/21/56/06/644215606.db2.gz NTHVVLNHPMTNEL-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP COC[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923274276 644306554 /nfs/dbraw/zinc/30/65/54/644306554.db2.gz SBCWDUPJSPOAOF-LBPRGKRZSA-N 2 1 228.336 0.333 20 0 BCADMP CSC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277152 644308531 /nfs/dbraw/zinc/30/85/31/644308531.db2.gz LCNXSCBGVXJNGA-VIFPVBQESA-N 2 1 204.339 0.006 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277152 644308534 /nfs/dbraw/zinc/30/85/34/644308534.db2.gz LCNXSCBGVXJNGA-VIFPVBQESA-N 2 1 204.339 0.006 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279588 644311085 /nfs/dbraw/zinc/31/10/85/644311085.db2.gz QSPNWBTUZZMUJB-FRRDWIJNSA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279588 644311088 /nfs/dbraw/zinc/31/10/88/644311088.db2.gz QSPNWBTUZZMUJB-FRRDWIJNSA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279480 644311998 /nfs/dbraw/zinc/31/19/98/644311998.db2.gz CCMCKCIGQQROPY-STQMWFEESA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282530 644318741 /nfs/dbraw/zinc/31/87/41/644318741.db2.gz VKBZOBVLSCVCOL-MNOVXSKESA-N 2 1 216.325 0.055 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H](O)COCC(C)C)CC1 ZINC000923286051 644320461 /nfs/dbraw/zinc/32/04/61/644320461.db2.gz GHHHPUSIHGBYBJ-CYBMUJFWSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923290208 644322609 /nfs/dbraw/zinc/32/26/09/644322609.db2.gz VVUZPEXRICCANU-FRRDWIJNSA-N 2 1 244.379 0.832 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923288637 644322833 /nfs/dbraw/zinc/32/28/33/644322833.db2.gz LVKXYBAYCPBRGY-HBNTYKKESA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923288637 644322836 /nfs/dbraw/zinc/32/28/36/644322836.db2.gz LVKXYBAYCPBRGY-HBNTYKKESA-N 2 1 232.393 0.770 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000923289221 644323074 /nfs/dbraw/zinc/32/30/74/644323074.db2.gz HEXXVDRIOKCZHE-NXEZZACHSA-N 2 1 218.366 0.252 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923290209 644323337 /nfs/dbraw/zinc/32/33/37/644323337.db2.gz VVUZPEXRICCANU-RWMBFGLXSA-N 2 1 244.379 0.832 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923290787 644325400 /nfs/dbraw/zinc/32/54/00/644325400.db2.gz NTEHMRKAPWVZID-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290662 644326753 /nfs/dbraw/zinc/32/67/53/644326753.db2.gz IRZDOLJWHPGEJF-LLVKDONJSA-N 2 1 218.341 0.443 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000923290831 644326903 /nfs/dbraw/zinc/32/69/03/644326903.db2.gz OSNAQNWPNWACEH-QWHCGFSZSA-N 2 1 244.379 0.561 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293156 644328965 /nfs/dbraw/zinc/32/89/65/644328965.db2.gz OIDILROVKDLTEF-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293156 644328966 /nfs/dbraw/zinc/32/89/66/644328966.db2.gz OIDILROVKDLTEF-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP C[C@](CN)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295969 644332845 /nfs/dbraw/zinc/33/28/45/644332845.db2.gz LQSJXTVJQNJFRQ-VXGBXAGGSA-N 2 1 239.363 0.082 20 0 BCADMP CCO[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306893 644337676 /nfs/dbraw/zinc/33/76/76/644337676.db2.gz VSJXDFCYTBQJQW-USZNOCQGSA-N 2 1 228.336 0.338 20 0 BCADMP C[N@@H+](CCC1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314167 644339503 /nfs/dbraw/zinc/33/95/03/644339503.db2.gz RCZGYWYSSXBORK-AVGNSLFASA-N 2 1 242.363 0.586 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C)CO1 ZINC000923304013 644340088 /nfs/dbraw/zinc/34/00/88/644340088.db2.gz AZKYHCPHSSMWDR-UTUOFQBUSA-N 2 1 240.347 0.474 20 0 BCADMP COC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312491 644340267 /nfs/dbraw/zinc/34/02/67/644340267.db2.gz IJXYDNDGXPBCHW-BJDJZHNGSA-N 2 1 228.336 0.195 20 0 BCADMP CC(C)CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303739 644340792 /nfs/dbraw/zinc/34/07/92/644340792.db2.gz JNGIMNBFRPIOBY-DCAQKATOSA-N 2 1 200.326 0.815 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315891 644342781 /nfs/dbraw/zinc/34/27/81/644342781.db2.gz MDVLRFHYULSDKN-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP OCC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315628 644343533 /nfs/dbraw/zinc/34/35/33/644343533.db2.gz LBLDGKJHKPMFEC-VXGBXAGGSA-N 2 1 240.347 0.069 20 0 BCADMP CC1(C)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923315130 644343544 /nfs/dbraw/zinc/34/35/44/644343544.db2.gz FXGRAWSMCJNGMF-DCAQKATOSA-N 2 1 228.336 0.338 20 0 BCADMP CCN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317515 644345115 /nfs/dbraw/zinc/34/51/15/644345115.db2.gz DKUXCCCWCHZRMQ-GFCCVEGCSA-N 2 1 239.363 0.002 20 0 BCADMP CCOCC[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309541 644345997 /nfs/dbraw/zinc/34/59/97/644345997.db2.gz RQHDWQUGUVMKBS-LBPRGKRZSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923310501 644346261 /nfs/dbraw/zinc/34/62/61/644346261.db2.gz WJDFPLNVYVDACP-BJDJZHNGSA-N 2 1 228.336 0.338 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923309684 644346619 /nfs/dbraw/zinc/34/66/19/644346619.db2.gz YWDHDNGNBVJXDR-LVEVGFFFSA-N 2 1 228.336 0.336 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923309684 644346621 /nfs/dbraw/zinc/34/66/21/644346621.db2.gz YWDHDNGNBVJXDR-LVEVGFFFSA-N 2 1 228.336 0.336 20 0 BCADMP CC(C)CO[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923319314 644347120 /nfs/dbraw/zinc/34/71/20/644347120.db2.gz VUUQFJMPZMPBIS-CYDGBPFRSA-N 2 1 242.363 0.584 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923333666 644354790 /nfs/dbraw/zinc/35/47/90/644354790.db2.gz RDVMLUUHVAXUSF-FIQHERPVSA-N 2 1 228.336 0.053 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923333009 644355111 /nfs/dbraw/zinc/35/51/11/644355111.db2.gz SRJXVXXRERTFPD-LLVKDONJSA-N 2 1 244.404 0.786 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348403 644361408 /nfs/dbraw/zinc/36/14/08/644361408.db2.gz GFYIFMLLBYMPOH-GHMZBOCLSA-N 2 1 232.393 0.771 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357530 644365929 /nfs/dbraw/zinc/36/59/29/644365929.db2.gz XTAWLOZGFCJMBK-NWDGAFQWSA-N 3 1 239.363 0.036 20 0 BCADMP C[C@]1(C[NH3+])CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357530 644365933 /nfs/dbraw/zinc/36/59/33/644365933.db2.gz XTAWLOZGFCJMBK-NWDGAFQWSA-N 2 1 239.363 0.036 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358498 644366213 /nfs/dbraw/zinc/36/62/13/644366213.db2.gz HSDYPYJKFWXABZ-GMTAPVOTSA-N 2 1 230.377 0.394 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923358358 644367372 /nfs/dbraw/zinc/36/73/72/644367372.db2.gz ZDCPJVOBOSBAML-CHWSQXEVSA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923358358 644367376 /nfs/dbraw/zinc/36/73/76/644367376.db2.gz ZDCPJVOBOSBAML-CHWSQXEVSA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356464 644371402 /nfs/dbraw/zinc/37/14/02/644371402.db2.gz ISAIWIJCODTOCG-OLZOCXBDSA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356464 644371404 /nfs/dbraw/zinc/37/14/04/644371404.db2.gz ISAIWIJCODTOCG-OLZOCXBDSA-N 2 1 244.379 0.689 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923355985 644372297 /nfs/dbraw/zinc/37/22/97/644372297.db2.gz CRXXXWWEKIROIW-NWDGAFQWSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923355985 644372303 /nfs/dbraw/zinc/37/23/03/644372303.db2.gz CRXXXWWEKIROIW-NWDGAFQWSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367158 644378388 /nfs/dbraw/zinc/37/83/88/644378388.db2.gz SXVQABRDZLSFTN-NWDGAFQWSA-N 2 1 244.404 0.786 20 0 BCADMP CCCCCC[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923367439 644378666 /nfs/dbraw/zinc/37/86/66/644378666.db2.gz VBPOARHFYXLGTB-VXGBXAGGSA-N 2 1 232.368 0.569 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923366402 644379277 /nfs/dbraw/zinc/37/92/77/644379277.db2.gz MFXVGRIMTNHEHI-NWDGAFQWSA-N 2 1 242.294 0.111 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923366402 644379280 /nfs/dbraw/zinc/37/92/80/644379280.db2.gz MFXVGRIMTNHEHI-NWDGAFQWSA-N 2 1 242.294 0.111 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365903 644379507 /nfs/dbraw/zinc/37/95/07/644379507.db2.gz IGLPOIIQRZRKDE-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366274 644379560 /nfs/dbraw/zinc/37/95/60/644379560.db2.gz JGKUUKKFLZTMAK-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369108 644379980 /nfs/dbraw/zinc/37/99/80/644379980.db2.gz VXSNTQOERVERFT-QWRGUYRKSA-N 3 1 241.379 0.328 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923368493 644380450 /nfs/dbraw/zinc/38/04/50/644380450.db2.gz CYQOYMCMEIKJQI-DDHJBXDOSA-N 2 1 230.352 0.360 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923373965 644387848 /nfs/dbraw/zinc/38/78/48/644387848.db2.gz QXANNCNFCXAUGS-KOLCDFICSA-N 2 1 200.326 0.864 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362228 644385950 /nfs/dbraw/zinc/38/59/50/644385950.db2.gz MINUVCUJQCGFRU-QJPTWQEYSA-N 2 1 212.337 0.689 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362608 644386361 /nfs/dbraw/zinc/38/63/61/644386361.db2.gz PGRPNCQLTGEQDZ-YNEHKIRRSA-N 2 1 242.363 0.315 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362206 644387330 /nfs/dbraw/zinc/38/73/30/644387330.db2.gz LPUNZYICLLMIBF-NSHDSACASA-N 2 1 230.352 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362206 644387333 /nfs/dbraw/zinc/38/73/33/644387333.db2.gz LPUNZYICLLMIBF-NSHDSACASA-N 2 1 230.352 0.587 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923374815 644388754 /nfs/dbraw/zinc/38/87/54/644388754.db2.gz CSVRVCCZLCOCCM-GMTAPVOTSA-N 2 1 232.393 0.627 20 0 BCADMP CC(C)[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923374580 644389138 /nfs/dbraw/zinc/38/91/38/644389138.db2.gz ZSGLJHDCAPQQHT-FIQHERPVSA-N 2 1 228.336 0.194 20 0 BCADMP CC(C)[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923374580 644389146 /nfs/dbraw/zinc/38/91/46/644389146.db2.gz ZSGLJHDCAPQQHT-FIQHERPVSA-N 2 1 228.336 0.194 20 0 BCADMP CO[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374586 644390250 /nfs/dbraw/zinc/39/02/50/644390250.db2.gz ZWZQDIOMJFGLJC-DGORSVRFSA-N 2 1 228.336 0.194 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383785 644395855 /nfs/dbraw/zinc/39/58/55/644395855.db2.gz MSVKTRAKMHIRHM-RYUDHWBXSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383715 644396515 /nfs/dbraw/zinc/39/65/15/644396515.db2.gz LXEHUCBZHDWIRT-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391259 644396626 /nfs/dbraw/zinc/39/66/26/644396626.db2.gz XBJHXTHLFJDJER-PWSUYJOCSA-N 2 1 240.347 0.210 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923387289 644399551 /nfs/dbraw/zinc/39/95/51/644399551.db2.gz CPXITXBPPHQDRW-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923387289 644399554 /nfs/dbraw/zinc/39/95/54/644399554.db2.gz CPXITXBPPHQDRW-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP COCC[N@H+](CCF)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923392056 644399569 /nfs/dbraw/zinc/39/95/69/644399569.db2.gz OYDQGHIHMRLQES-NSHDSACASA-N 2 1 246.326 0.283 20 0 BCADMP COCC[N@@H+](CCF)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923392056 644399572 /nfs/dbraw/zinc/39/95/72/644399572.db2.gz OYDQGHIHMRLQES-NSHDSACASA-N 2 1 246.326 0.283 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401904 644405974 /nfs/dbraw/zinc/40/59/74/644405974.db2.gz ACVZNBCQJURUEG-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP CC(C)CC[C@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923402743 644406575 /nfs/dbraw/zinc/40/65/75/644406575.db2.gz LLOBPBCUAFLGPF-LBPRGKRZSA-N 2 1 232.368 0.691 20 0 BCADMP CCc1onc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000923402838 644407040 /nfs/dbraw/zinc/40/70/40/644407040.db2.gz LTOXESDYZKDHBT-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP CCc1onc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000923402838 644407043 /nfs/dbraw/zinc/40/70/43/644407043.db2.gz LTOXESDYZKDHBT-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000923416479 644409189 /nfs/dbraw/zinc/40/91/89/644409189.db2.gz XDQXZDXAYYMECI-PPCPHDFISA-N 2 1 222.332 0.735 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408553 644412591 /nfs/dbraw/zinc/41/25/91/644412591.db2.gz AVAPNTOKOZMAJE-NXEZZACHSA-N 2 1 204.314 0.053 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408553 644412593 /nfs/dbraw/zinc/41/25/93/644412593.db2.gz AVAPNTOKOZMAJE-NXEZZACHSA-N 2 1 204.314 0.053 20 0 BCADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412618 644413740 /nfs/dbraw/zinc/41/37/40/644413740.db2.gz RTAIFHMDNLIRED-QWRGUYRKSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412618 644413745 /nfs/dbraw/zinc/41/37/45/644413745.db2.gz RTAIFHMDNLIRED-QWRGUYRKSA-N 3 1 211.353 0.655 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923414054 644416919 /nfs/dbraw/zinc/41/69/19/644416919.db2.gz ZIMVQCVORQBXIH-NEPJUHHUSA-N 2 1 230.352 0.566 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000923413361 644417169 /nfs/dbraw/zinc/41/71/69/644417169.db2.gz FLZUREKSSDQJJN-OSUNSFLBSA-N 2 1 242.388 0.522 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](CF)C2)C1 ZINC000923424862 644419792 /nfs/dbraw/zinc/41/97/92/644419792.db2.gz ULZIIWOSQKEKDW-NAKRPEOUSA-N 2 1 216.300 0.519 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427781 644421212 /nfs/dbraw/zinc/42/12/12/644421212.db2.gz VVDSYGBPSTYEKU-HBNTYKKESA-N 2 1 230.377 0.252 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426885 644422406 /nfs/dbraw/zinc/42/24/06/644422406.db2.gz HRCNTADNTCHGON-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427111 644422724 /nfs/dbraw/zinc/42/27/24/644422724.db2.gz RCVUHNPCNNDGEZ-YNEHKIRRSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432752 644426231 /nfs/dbraw/zinc/42/62/31/644426231.db2.gz JMKBEIGVYJGERS-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480495 644459523 /nfs/dbraw/zinc/45/95/23/644459523.db2.gz HUDMPFDJRDJLRY-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481953 644459907 /nfs/dbraw/zinc/45/99/07/644459907.db2.gz VPIWIZGAHIGXDP-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923480991 644460032 /nfs/dbraw/zinc/46/00/32/644460032.db2.gz NJHVRIGCIJBJKA-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000923482381 644460359 /nfs/dbraw/zinc/46/03/59/644460359.db2.gz ZJCCWTSYYFRCMN-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000923482298 644460483 /nfs/dbraw/zinc/46/04/83/644460483.db2.gz YGOAALOVHXCGLD-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484500 644461702 /nfs/dbraw/zinc/46/17/02/644461702.db2.gz KNCOCGDWXBCYLP-LLVKDONJSA-N 2 1 228.336 0.999 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484807 644462831 /nfs/dbraw/zinc/46/28/31/644462831.db2.gz NLOJGAJCCOOHPZ-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490656 644464812 /nfs/dbraw/zinc/46/48/12/644464812.db2.gz FDGWIUBWIZOIFV-DCAQKATOSA-N 2 1 200.326 0.674 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492370 644466933 /nfs/dbraw/zinc/46/69/33/644466933.db2.gz NZICQUAHMANFHC-GMTAPVOTSA-N 2 1 232.393 0.627 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491443 644467267 /nfs/dbraw/zinc/46/72/67/644467267.db2.gz RWYPOZOWDSNGIU-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492267 644467368 /nfs/dbraw/zinc/46/73/68/644467368.db2.gz AZBKJUVVLPNCII-KXUCPTDWSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492267 644467370 /nfs/dbraw/zinc/46/73/70/644467370.db2.gz AZBKJUVVLPNCII-KXUCPTDWSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491891 644468490 /nfs/dbraw/zinc/46/84/90/644468490.db2.gz KHCWSSAIOAEABK-LPWJVIDDSA-N 3 1 225.380 0.759 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497074 644469660 /nfs/dbraw/zinc/46/96/60/644469660.db2.gz KTOQZLOPUIPRMQ-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1C[NH3+] ZINC000923495048 644470036 /nfs/dbraw/zinc/47/00/36/644470036.db2.gz SNNSVPFJZWUADM-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1C[NH3+] ZINC000923495048 644470043 /nfs/dbraw/zinc/47/00/43/644470043.db2.gz SNNSVPFJZWUADM-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1C[NH3+] ZINC000923500418 644474101 /nfs/dbraw/zinc/47/41/01/644474101.db2.gz QEJADYRRPILGAG-AAEUAGOBSA-N 2 1 249.358 0.802 20 0 BCADMP Cn1cncc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515064 644477969 /nfs/dbraw/zinc/47/79/69/644477969.db2.gz BSPGUMGMQQGQLK-QWHCGFSZSA-N 2 1 248.374 0.894 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515067 644478259 /nfs/dbraw/zinc/47/82/59/644478259.db2.gz BUKGTGGDKIGYLO-QWHCGFSZSA-N 2 1 242.363 0.581 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515989 644479533 /nfs/dbraw/zinc/47/95/33/644479533.db2.gz PVBBUKKYVODMSD-XQQFMLRXSA-N 2 1 242.363 0.315 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516488 644479861 /nfs/dbraw/zinc/47/98/61/644479861.db2.gz HKNNYQGZIGEKPQ-QWHCGFSZSA-N 3 1 223.364 0.527 20 0 BCADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515984 644479915 /nfs/dbraw/zinc/47/99/15/644479915.db2.gz PMPMTSUNDROTFF-RFQIPJPRSA-N 2 1 236.359 0.954 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515631 644480113 /nfs/dbraw/zinc/48/01/13/644480113.db2.gz IXMIQNCAKJTUIT-NWDGAFQWSA-N 2 1 234.347 0.504 20 0 BCADMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923517098 644480880 /nfs/dbraw/zinc/48/08/80/644480880.db2.gz HQSXDFWZVFCGRF-NWDGAFQWSA-N 2 1 220.320 0.461 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923517098 644480881 /nfs/dbraw/zinc/48/08/81/644480881.db2.gz HQSXDFWZVFCGRF-NWDGAFQWSA-N 2 1 220.320 0.461 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515531 644480895 /nfs/dbraw/zinc/48/08/95/644480895.db2.gz YYTWHWKJODGYAI-IJLUTSLNSA-N 2 1 230.352 0.301 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516802 644481393 /nfs/dbraw/zinc/48/13/93/644481393.db2.gz SOOXQVUMSJFRES-SDDRHHMPSA-N 3 1 209.337 0.137 20 0 BCADMP C([C@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516802 644481400 /nfs/dbraw/zinc/48/14/00/644481400.db2.gz SOOXQVUMSJFRES-SDDRHHMPSA-N 2 1 209.337 0.137 20 0 BCADMP [NH3+]CCC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000923525615 644485043 /nfs/dbraw/zinc/48/50/43/644485043.db2.gz HVMAETHPJKSRLU-UHFFFAOYSA-N 2 1 240.269 0.972 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923531449 644488585 /nfs/dbraw/zinc/48/85/85/644488585.db2.gz QHJHMUJJLNWYPL-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923558327 644498875 /nfs/dbraw/zinc/49/88/75/644498875.db2.gz QWRBEGCPAYJRBX-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOc2ccccc2[C@H]1CO ZINC000923555921 644500424 /nfs/dbraw/zinc/50/04/24/644500424.db2.gz YKUVLLSLQNXURL-GFCCVEGCSA-N 2 1 236.315 0.763 20 0 BCADMP [NH3+]CCC[N@H+]1CCOc2ccccc2[C@H]1CO ZINC000923555921 644500430 /nfs/dbraw/zinc/50/04/30/644500430.db2.gz YKUVLLSLQNXURL-GFCCVEGCSA-N 2 1 236.315 0.763 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341880 644717274 /nfs/dbraw/zinc/71/72/74/644717274.db2.gz BFWOSDOHVZBAHZ-VWYCJHECSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341880 644717281 /nfs/dbraw/zinc/71/72/81/644717281.db2.gz BFWOSDOHVZBAHZ-VWYCJHECSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251034492 644790141 /nfs/dbraw/zinc/79/01/41/644790141.db2.gz BAIYHLVTUVEWIK-AXFHLTTASA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251115401 644794203 /nfs/dbraw/zinc/79/42/03/644794203.db2.gz VESSJJYNVOZTFD-GARJFASQSA-N 2 1 200.326 0.959 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252418956 644848929 /nfs/dbraw/zinc/84/89/29/644848929.db2.gz XLUOOJCSUMSVQS-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000252683181 644878270 /nfs/dbraw/zinc/87/82/70/644878270.db2.gz DHGIWKRSFCYBEL-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000252683181 644878273 /nfs/dbraw/zinc/87/82/73/644878273.db2.gz DHGIWKRSFCYBEL-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684566 644879331 /nfs/dbraw/zinc/87/93/31/644879331.db2.gz GPMVTTRRCKMRML-NEPJUHHUSA-N 2 1 232.368 0.689 20 0 BCADMP CC[S@](=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703324 644886169 /nfs/dbraw/zinc/88/61/69/644886169.db2.gz VEIAJRCNTSONLX-MKBNYLNASA-N 2 1 244.404 0.971 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252795133 644907383 /nfs/dbraw/zinc/90/73/83/644907383.db2.gz ZYFJCQAREHTESE-GARJFASQSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)C1 ZINC000926553105 645276899 /nfs/dbraw/zinc/27/68/99/645276899.db2.gz YHGUMGWBGXGYQK-ORZCXNSNSA-N 2 1 210.321 0.440 20 0 BCADMP Cn1cc[nH+]c1[C@@H]1CCCN(CC[NH3+])C1 ZINC000843389846 645287721 /nfs/dbraw/zinc/28/77/21/645287721.db2.gz ZABLHXXODRHNFX-SNVBAGLBSA-N 2 1 208.309 0.558 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000844187056 645315793 /nfs/dbraw/zinc/31/57/93/645315793.db2.gz CAMXFFRVCRKDKR-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000844187353 645316777 /nfs/dbraw/zinc/31/67/77/645316777.db2.gz GISIFHMDLBRPSI-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000844187006 645317010 /nfs/dbraw/zinc/31/70/10/645317010.db2.gz BEZPWUWLZMVXOA-AAEUAGOBSA-N 2 1 239.363 0.444 20 0 BCADMP CN1CC[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926894236 645481050 /nfs/dbraw/zinc/48/10/50/645481050.db2.gz LXHANOZKFNIFFA-DAAZQVBGSA-N 2 1 223.364 0.620 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1COC[C@@H]1C)C[NH+](C)C ZINC000926962210 645502065 /nfs/dbraw/zinc/50/20/65/645502065.db2.gz KMWSMOIXJLCMKS-TUAOUCFPSA-N 2 1 230.352 0.578 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925488304 645509035 /nfs/dbraw/zinc/50/90/35/645509035.db2.gz RHBZHZULNJFUPY-QWRGUYRKSA-N 2 1 209.337 0.565 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000928430495 645746882 /nfs/dbraw/zinc/74/68/82/645746882.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@@H+]1C ZINC000928430495 645746887 /nfs/dbraw/zinc/74/68/87/645746887.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 1 248.330 0.722 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886839579 645891338 /nfs/dbraw/zinc/89/13/38/645891338.db2.gz HWDQSDCQHRMFPZ-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C([C@H]1CCC2(COC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311654 646074749 /nfs/dbraw/zinc/07/47/49/646074749.db2.gz FNMACHIJGQYNSG-GRYCIOLGSA-N 2 1 238.331 0.086 20 0 BCADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924618139 646079328 /nfs/dbraw/zinc/07/93/28/646079328.db2.gz VUBFBDBMXBXDQH-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924618139 646079331 /nfs/dbraw/zinc/07/93/31/646079331.db2.gz VUBFBDBMXBXDQH-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000924653490 646086831 /nfs/dbraw/zinc/08/68/31/646086831.db2.gz KMURJENCADRKFM-JHJVBQTASA-N 2 1 244.379 0.968 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924993883 646151568 /nfs/dbraw/zinc/15/15/68/646151568.db2.gz MRIMBDKRNXWCLD-UMSGYPCISA-N 2 1 224.348 0.853 20 0 BCADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924988986 646151959 /nfs/dbraw/zinc/15/19/59/646151959.db2.gz FDVQHGZFECQMAQ-AVGNSLFASA-N 2 1 244.379 0.560 20 0 BCADMP C[C@@H]1CC2(CC([NH2+]C[C@@H](O)C[NH+](C)C)C2)CO1 ZINC000924993176 646152531 /nfs/dbraw/zinc/15/25/31/646152531.db2.gz PJPSNMZPQFDUSS-CQLXCSJHSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)O ZINC000925024368 646159836 /nfs/dbraw/zinc/15/98/36/646159836.db2.gz TYNGIYWINYFQHM-ZACCUICWSA-N 2 1 212.337 0.687 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929637768 646216257 /nfs/dbraw/zinc/21/62/57/646216257.db2.gz ONLBWFUMYNXMNM-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000929637768 646216260 /nfs/dbraw/zinc/21/62/60/646216260.db2.gz ONLBWFUMYNXMNM-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COCC(COC)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929699138 646257131 /nfs/dbraw/zinc/25/71/31/646257131.db2.gz GKZRMZUMTRNUQB-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP COCC(COC)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929699138 646257138 /nfs/dbraw/zinc/25/71/38/646257138.db2.gz GKZRMZUMTRNUQB-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP COCC(COC)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929699138 646257141 /nfs/dbraw/zinc/25/71/41/646257141.db2.gz GKZRMZUMTRNUQB-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000925393684 646258800 /nfs/dbraw/zinc/25/88/00/646258800.db2.gz JNRGZUALIWXYPG-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP CC[NH+]1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925489047 646298842 /nfs/dbraw/zinc/29/88/42/646298842.db2.gz XDALTQKGTRPEDI-CYBMUJFWSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925505571 646305651 /nfs/dbraw/zinc/30/56/51/646305651.db2.gz UUFVLRJCMICWKF-GHMZBOCLSA-N 2 1 239.363 0.762 20 0 BCADMP CCN1CCC([N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000929778621 646306259 /nfs/dbraw/zinc/30/62/59/646306259.db2.gz JOINXUOYFQVWFK-CYBMUJFWSA-N 2 1 242.363 0.818 20 0 BCADMP CC[NH+]1CCC(N(C)C[C@@H]2COCCO2)CC1 ZINC000929778621 646306262 /nfs/dbraw/zinc/30/62/62/646306262.db2.gz JOINXUOYFQVWFK-CYBMUJFWSA-N 2 1 242.363 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CO)C[C@H]1C ZINC000929779144 646306294 /nfs/dbraw/zinc/30/62/94/646306294.db2.gz DUYZYUMDCAWYAI-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)C[C@H]1C ZINC000929779144 646306298 /nfs/dbraw/zinc/30/62/98/646306298.db2.gz DUYZYUMDCAWYAI-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)C[C@H]1C ZINC000929779144 646306302 /nfs/dbraw/zinc/30/63/02/646306302.db2.gz DUYZYUMDCAWYAI-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925511172 646309007 /nfs/dbraw/zinc/30/90/07/646309007.db2.gz HUTRTIJZPBTRHJ-QWRGUYRKSA-N 2 1 235.335 0.541 20 0 BCADMP CN1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1=O ZINC000925510594 646309170 /nfs/dbraw/zinc/30/91/70/646309170.db2.gz XSFVYUSPMVSTOP-WDEREUQCSA-N 2 1 237.347 0.481 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309251 /nfs/dbraw/zinc/30/92/51/646309251.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309258 /nfs/dbraw/zinc/30/92/58/646309258.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309266 /nfs/dbraw/zinc/30/92/66/646309266.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CCc1nncn1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925515354 646311477 /nfs/dbraw/zinc/31/14/77/646311477.db2.gz OQMIDRMZLZSEGU-LLVKDONJSA-N 2 1 249.362 0.715 20 0 BCADMP Cn1cnnc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925536192 646321523 /nfs/dbraw/zinc/32/15/23/646321523.db2.gz CDEVVEAFTRIXLZ-NXEZZACHSA-N 2 1 237.351 0.811 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552797 646329269 /nfs/dbraw/zinc/32/92/69/646329269.db2.gz ZOYMCFDFMSHSPZ-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552796 646329817 /nfs/dbraw/zinc/32/98/17/646329817.db2.gz ZOYMCFDFMSHSPZ-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574508 646341184 /nfs/dbraw/zinc/34/11/84/646341184.db2.gz RKKJXNIOCPCPEN-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CO ZINC000925572792 646341818 /nfs/dbraw/zinc/34/18/18/646341818.db2.gz NXSLEHWUQMIFQE-FOSCPWQOSA-N 2 1 226.364 0.935 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000925578818 646344062 /nfs/dbraw/zinc/34/40/62/646344062.db2.gz YTRZNAIFSCPAOU-JLLWLGSASA-N 2 1 249.362 0.631 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925582220 646346477 /nfs/dbraw/zinc/34/64/77/646346477.db2.gz CYBAHMTYIQSIQS-WCQGTBRESA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925619191 646351489 /nfs/dbraw/zinc/35/14/89/646351489.db2.gz LINUQSZATFPQOH-WDEREUQCSA-N 2 1 212.337 0.878 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925605234 646358569 /nfs/dbraw/zinc/35/85/69/646358569.db2.gz DJQBUYNWAOYBMA-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP OC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925609519 646359649 /nfs/dbraw/zinc/35/96/49/646359649.db2.gz VIAMHGYKCYWZGJ-JTQLQIEISA-N 2 1 210.321 0.776 20 0 BCADMP C[N@@H+]1CCO[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925621389 646366783 /nfs/dbraw/zinc/36/67/83/646366783.db2.gz KURTUBLYXIDUHU-NEPJUHHUSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCO[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925621389 646366788 /nfs/dbraw/zinc/36/67/88/646366788.db2.gz KURTUBLYXIDUHU-NEPJUHHUSA-N 2 1 239.363 0.191 20 0 BCADMP c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925620877 646367463 /nfs/dbraw/zinc/36/74/63/646367463.db2.gz IPJXGNNBETZPHA-GHMZBOCLSA-N 2 1 247.346 0.467 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCn1cccn1 ZINC000925622541 646368919 /nfs/dbraw/zinc/36/89/19/646368919.db2.gz QFWYSULKRIXGBM-JTQLQIEISA-N 2 1 208.309 0.613 20 0 BCADMP O[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925622978 646369286 /nfs/dbraw/zinc/36/92/86/646369286.db2.gz NTMKBXADSSKFTN-WDEREUQCSA-N 2 1 242.388 0.729 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925624407 646369396 /nfs/dbraw/zinc/36/93/96/646369396.db2.gz XBGYIQLYFDZRRI-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000925624403 646369430 /nfs/dbraw/zinc/36/94/30/646369430.db2.gz WVVIWTRFGRQJFV-ONGXEEELSA-N 2 1 230.377 0.585 20 0 BCADMP C[NH+]1CCC(C)(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925631822 646376639 /nfs/dbraw/zinc/37/66/39/646376639.db2.gz LFUFFJVXMWCJHI-GFCCVEGCSA-N 2 1 241.379 0.296 20 0 BCADMP Cn1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925639393 646383342 /nfs/dbraw/zinc/38/33/42/646383342.db2.gz LCRPGGQHPWNYEK-LBPRGKRZSA-N 2 1 234.347 0.837 20 0 BCADMP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925645442 646387668 /nfs/dbraw/zinc/38/76/68/646387668.db2.gz QVBSTHYEGZUNNM-SECBINFHSA-N 2 1 200.326 0.878 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925660687 646395945 /nfs/dbraw/zinc/39/59/45/646395945.db2.gz SPYYPLSSYPLJEF-GMKTYKIGSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(=O)NCCF ZINC000925660612 646396843 /nfs/dbraw/zinc/39/68/43/646396843.db2.gz OSQRZLXQPTYIEC-AEJSXWLSSA-N 2 1 243.326 0.320 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000925664618 646397853 /nfs/dbraw/zinc/39/78/53/646397853.db2.gz ZOEAMWMPSGLPAM-LBPRGKRZSA-N 2 1 223.364 0.978 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925677654 646406212 /nfs/dbraw/zinc/40/62/12/646406212.db2.gz XXJWHFRGOJHASY-WZKLWJMTSA-N 2 1 224.348 0.996 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925680670 646409843 /nfs/dbraw/zinc/40/98/43/646409843.db2.gz KJZOCNHEDYMRTJ-FVCCEPFGSA-N 2 1 242.363 0.768 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000925688031 646414642 /nfs/dbraw/zinc/41/46/42/646414642.db2.gz BAIQYPOICIKOJO-MNOVXSKESA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000925688037 646415394 /nfs/dbraw/zinc/41/53/94/646415394.db2.gz BAIQYPOICIKOJO-WDEREUQCSA-N 2 1 212.337 0.878 20 0 BCADMP O[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925695292 646419624 /nfs/dbraw/zinc/41/96/24/646419624.db2.gz VTZKYDKTASIWFW-AMDVPWGISA-N 2 1 208.305 0.096 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH2+]CC1)[NH2+]2 ZINC000925694414 646419635 /nfs/dbraw/zinc/41/96/35/646419635.db2.gz UINSUYFGNVQRDI-MGAJPHDKSA-N 3 1 223.364 0.857 20 0 BCADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925698989 646422953 /nfs/dbraw/zinc/42/29/53/646422953.db2.gz MIVCDBFAONRBDC-LBPRGKRZSA-N 3 1 221.348 0.780 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000925702528 646425944 /nfs/dbraw/zinc/42/59/44/646425944.db2.gz BBLXNYAMOXEUOO-DCAQKATOSA-N 2 1 211.353 0.844 20 0 BCADMP Cn1cnc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925702824 646427979 /nfs/dbraw/zinc/42/79/79/646427979.db2.gz DZRXUKYESJSYMR-SNVBAGLBSA-N 2 1 237.351 0.478 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925705076 646428492 /nfs/dbraw/zinc/42/84/92/646428492.db2.gz JDZUZKGUJWSTMM-RYUDHWBXSA-N 2 1 241.379 0.437 20 0 BCADMP [NH3+]C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925709689 646434451 /nfs/dbraw/zinc/43/44/51/646434451.db2.gz PSSQIRDJGJWCPP-IJLUTSLNSA-N 2 1 223.364 0.988 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CCOC1 ZINC000925712638 646439225 /nfs/dbraw/zinc/43/92/25/646439225.db2.gz ICCCLDCSWMFUDZ-FDYHWXHSSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000925719027 646443723 /nfs/dbraw/zinc/44/37/23/646443723.db2.gz PWGYQVRGVHXNSE-GHMZBOCLSA-N 2 1 215.341 0.082 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925720813 646446410 /nfs/dbraw/zinc/44/64/10/646446410.db2.gz UMRYDJPANUXSCQ-OPRDCNLKSA-N 2 1 223.320 0.125 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000925725588 646448192 /nfs/dbraw/zinc/44/81/92/646448192.db2.gz AUGGSVRQKIQHNQ-ZRUFSTJUSA-N 2 1 209.337 0.583 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000925724316 646449613 /nfs/dbraw/zinc/44/96/13/646449613.db2.gz IZZSFNCDGFHYKV-ZJUUUORDSA-N 2 1 235.322 0.913 20 0 BCADMP [NH3+][C@H]1C[C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726555 646451812 /nfs/dbraw/zinc/45/18/12/646451812.db2.gz JLFURXDROLOGPZ-SRVKXCTJSA-N 2 1 223.364 0.988 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779788 646477300 /nfs/dbraw/zinc/47/73/00/646477300.db2.gz ZXMAEOGUDFJFNO-LPEHRKFASA-N 3 1 235.322 0.947 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782089 646479552 /nfs/dbraw/zinc/47/95/52/646479552.db2.gz KUNALTQOHUVQLB-VWYCJHECSA-N 2 1 247.333 0.771 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925783856 646479607 /nfs/dbraw/zinc/47/96/07/646479607.db2.gz LKHGHLJAQULZIW-RTXFEEFZSA-N 2 1 242.363 0.626 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925783855 646479913 /nfs/dbraw/zinc/47/99/13/646479913.db2.gz LKHGHLJAQULZIW-RAIGVLPGSA-N 2 1 242.363 0.626 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000925787042 646483731 /nfs/dbraw/zinc/48/37/31/646483731.db2.gz RYFXQNOQDUPMPL-RHYQMDGZSA-N 2 1 211.353 0.559 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000925793342 646484714 /nfs/dbraw/zinc/48/47/14/646484714.db2.gz XZUJYIVKSPPUFX-OUAUKWLOSA-N 2 1 246.376 0.009 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925791562 646484879 /nfs/dbraw/zinc/48/48/79/646484879.db2.gz BAKZKMRCYQAMNE-UTUOFQBUSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925797026 646487364 /nfs/dbraw/zinc/48/73/64/646487364.db2.gz SVRCGQWZYAQNKD-LPWJVIDDSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnnn1C ZINC000925814542 646492819 /nfs/dbraw/zinc/49/28/19/646492819.db2.gz NCAUMUCOEHGFGJ-VHSXEESVSA-N 2 1 246.318 0.677 20 0 BCADMP CCO[C@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+](C)C ZINC000925838420 646504711 /nfs/dbraw/zinc/50/47/11/646504711.db2.gz MCIBWKFAWCYVRG-WXRRBKDZSA-N 3 1 243.395 0.813 20 0 BCADMP CN(C)[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000925836420 646505221 /nfs/dbraw/zinc/50/52/21/646505221.db2.gz KKYADIRCSUCJNH-RKDXNWHRSA-N 2 1 239.285 0.821 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925838725 646506399 /nfs/dbraw/zinc/50/63/99/646506399.db2.gz NQIDZBHAMOMXLW-OUAUKWLOSA-N 2 1 225.336 0.100 20 0 BCADMP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863624 646515957 /nfs/dbraw/zinc/51/59/57/646515957.db2.gz CXAKGCZNEKNUJC-XQQFMLRXSA-N 2 1 239.363 0.648 20 0 BCADMP CCOCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925874569 646525782 /nfs/dbraw/zinc/52/57/82/646525782.db2.gz KIFBKNVKMINCNY-VXGBXAGGSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)CO ZINC000926175591 646589300 /nfs/dbraw/zinc/58/93/00/646589300.db2.gz YUFWHIUEKSYJNH-PWSUYJOCSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)CO ZINC000926175591 646589306 /nfs/dbraw/zinc/58/93/06/646589306.db2.gz YUFWHIUEKSYJNH-PWSUYJOCSA-N 2 1 230.352 0.050 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000926383128 646630118 /nfs/dbraw/zinc/63/01/18/646630118.db2.gz QYNBQWNUMIVGKF-CHWSQXEVSA-N 2 1 240.395 0.598 20 0 BCADMP [NH3+]C1CC([NH2+]Cc2cccc3c2OCO3)C1 ZINC000087651725 711545968 /nfs/dbraw/zinc/54/59/68/711545968.db2.gz RJOZMHFISJXOKD-UHFFFAOYSA-N 2 1 220.272 0.995 20 0 BCADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724562639 711592530 /nfs/dbraw/zinc/59/25/30/711592530.db2.gz LGKQFAXFSFDYDH-SDDRHHMPSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724562639 711592531 /nfs/dbraw/zinc/59/25/31/711592531.db2.gz LGKQFAXFSFDYDH-SDDRHHMPSA-N 2 1 228.336 0.332 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000718835607 711665049 /nfs/dbraw/zinc/66/50/49/711665049.db2.gz SPGYOUFAJJPVLZ-RWMBFGLXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722149849 711712165 /nfs/dbraw/zinc/71/21/65/711712165.db2.gz OLMRIPAKNPOBNV-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+](CCCCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000379808448 711812075 /nfs/dbraw/zinc/81/20/75/711812075.db2.gz IINKZZYKDMVENF-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724177 711893495 /nfs/dbraw/zinc/89/34/95/711893495.db2.gz MTILQJLYMFVXPO-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP COC[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000721911789 711917563 /nfs/dbraw/zinc/91/75/63/711917563.db2.gz KKTWGOMPAIEYSZ-WDEREUQCSA-N 2 1 218.341 0.156 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2COCC2(C)C)C1 ZINC000702603381 712056544 /nfs/dbraw/zinc/05/65/44/712056544.db2.gz MUVBHSKECUZGDI-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2COCC2(C)C)C1 ZINC000702603381 712056545 /nfs/dbraw/zinc/05/65/45/712056545.db2.gz MUVBHSKECUZGDI-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702621895 712056557 /nfs/dbraw/zinc/05/65/57/712056557.db2.gz CYXQKTJINRBHFO-UPJWGTAASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702621895 712056558 /nfs/dbraw/zinc/05/65/58/712056558.db2.gz CYXQKTJINRBHFO-UPJWGTAASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCCO ZINC000702672613 712059911 /nfs/dbraw/zinc/05/99/11/712059911.db2.gz ZQFJLVMVUPWINJ-GHMZBOCLSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCCO ZINC000702672613 712059912 /nfs/dbraw/zinc/05/99/12/712059912.db2.gz ZQFJLVMVUPWINJ-GHMZBOCLSA-N 2 1 200.326 0.961 20 0 BCADMP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034884355 712098754 /nfs/dbraw/zinc/09/87/54/712098754.db2.gz GELJEKLHAHWJQL-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)C[C@H](O)C(F)(F)F ZINC000706654240 712151337 /nfs/dbraw/zinc/15/13/37/712151337.db2.gz CMQLAMPJCPQDCM-QMMMGPOBSA-N 2 1 244.257 0.077 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000706654240 712151338 /nfs/dbraw/zinc/15/13/38/712151338.db2.gz CMQLAMPJCPQDCM-QMMMGPOBSA-N 2 1 244.257 0.077 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707235755 712167256 /nfs/dbraw/zinc/16/72/56/712167256.db2.gz TVWVBMMUFKYNNR-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP CC1(C)CO[C@@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000708338010 712188878 /nfs/dbraw/zinc/18/88/78/712188878.db2.gz QPODSSTYFZIEIV-NEPJUHHUSA-N 2 1 242.363 0.851 20 0 BCADMP COCC(COC)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709055667 712206975 /nfs/dbraw/zinc/20/69/75/712206975.db2.gz IZUSTBOUZIITNW-NSHDSACASA-N 2 1 230.352 0.851 20 0 BCADMP COCC(COC)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709055667 712206979 /nfs/dbraw/zinc/20/69/79/712206979.db2.gz IZUSTBOUZIITNW-NSHDSACASA-N 2 1 230.352 0.851 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCOC1=O ZINC000710713403 712254793 /nfs/dbraw/zinc/25/47/93/712254793.db2.gz ICMCABXLBKLKHP-SNVBAGLBSA-N 2 1 214.309 0.753 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CCCCCC[NH3+] ZINC000710752039 712256078 /nfs/dbraw/zinc/25/60/78/712256078.db2.gz WBPRPADVUPMXAX-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCOC2CC2)CCCO1 ZINC000711777293 712328359 /nfs/dbraw/zinc/32/83/59/712328359.db2.gz QJLMIMWVCKSEOR-LLVKDONJSA-N 2 1 214.309 0.215 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCOC2CC2)CCCO1 ZINC000711777293 712328357 /nfs/dbraw/zinc/32/83/57/712328357.db2.gz QJLMIMWVCKSEOR-LLVKDONJSA-N 2 1 214.309 0.215 20 0 BCADMP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479724 712334338 /nfs/dbraw/zinc/33/43/38/712334338.db2.gz SDGSEFQLCUXZQR-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923479677 712334740 /nfs/dbraw/zinc/33/47/40/712334740.db2.gz BEDQPBPVYDVETQ-JTQLQIEISA-N 2 1 223.324 0.469 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923479677 712334742 /nfs/dbraw/zinc/33/47/42/712334742.db2.gz BEDQPBPVYDVETQ-JTQLQIEISA-N 2 1 223.324 0.469 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668871 712439989 /nfs/dbraw/zinc/43/99/89/712439989.db2.gz NHPIMJLUJHTBNY-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668001 712440024 /nfs/dbraw/zinc/44/00/24/712440024.db2.gz HMXWCJYXMQIJSJ-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712536308 712442750 /nfs/dbraw/zinc/44/27/50/712442750.db2.gz RNOPZYUKVBQQJB-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712536308 712442751 /nfs/dbraw/zinc/44/27/51/712442751.db2.gz RNOPZYUKVBQQJB-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000714472360 712491105 /nfs/dbraw/zinc/49/11/05/712491105.db2.gz USLWOHHYHWXZGE-NTZNESFSSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714472360 712491107 /nfs/dbraw/zinc/49/11/07/712491107.db2.gz USLWOHHYHWXZGE-NTZNESFSSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ncn(C)n1 ZINC000391835623 712628515 /nfs/dbraw/zinc/62/85/15/712628515.db2.gz JEKGCWJKQSMQLW-SNVBAGLBSA-N 2 1 237.351 0.808 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037476565 712647616 /nfs/dbraw/zinc/64/76/16/712647616.db2.gz RFVZFHMYSPLBAE-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000221246234 712658814 /nfs/dbraw/zinc/65/88/14/712658814.db2.gz AHUSVKILQMKUIK-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717977694 712734728 /nfs/dbraw/zinc/73/47/28/712734728.db2.gz ZFBMCEONZGYGLS-WOPDTQHZSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCC[NH2+]C1 ZINC000718159286 712749885 /nfs/dbraw/zinc/74/98/85/712749885.db2.gz IOYYOKLJHAJOGY-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718918160 712787855 /nfs/dbraw/zinc/78/78/55/712787855.db2.gz LQDKPSIXIBWUHG-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718918160 712787856 /nfs/dbraw/zinc/78/78/56/712787856.db2.gz LQDKPSIXIBWUHG-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000718918160 712787858 /nfs/dbraw/zinc/78/78/58/712787858.db2.gz LQDKPSIXIBWUHG-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000718918160 712787860 /nfs/dbraw/zinc/78/78/60/712787860.db2.gz LQDKPSIXIBWUHG-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000719610846 712816530 /nfs/dbraw/zinc/81/65/30/712816530.db2.gz CMTBAYFUEKZNHA-JQWIXIFHSA-N 2 1 211.353 0.763 20 0 BCADMP c1cc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000719834161 712823867 /nfs/dbraw/zinc/82/38/67/712823867.db2.gz WEOLZZCJJASIMB-AOOOYVTPSA-N 2 1 223.345 0.837 20 0 BCADMP c1cc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000719834161 712823868 /nfs/dbraw/zinc/82/38/68/712823868.db2.gz WEOLZZCJJASIMB-AOOOYVTPSA-N 2 1 223.345 0.837 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCc2ccns2)CCCO1 ZINC000719875153 712825050 /nfs/dbraw/zinc/82/50/50/712825050.db2.gz YVEPMMUCYMUOMM-JTQLQIEISA-N 2 1 241.360 0.735 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccns2)CCCO1 ZINC000719875153 712825052 /nfs/dbraw/zinc/82/50/52/712825052.db2.gz YVEPMMUCYMUOMM-JTQLQIEISA-N 2 1 241.360 0.735 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccns2)CCCO1 ZINC000719875154 712825262 /nfs/dbraw/zinc/82/52/62/712825262.db2.gz YVEPMMUCYMUOMM-SNVBAGLBSA-N 2 1 241.360 0.735 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccns2)CCCO1 ZINC000719875154 712825263 /nfs/dbraw/zinc/82/52/63/712825263.db2.gz YVEPMMUCYMUOMM-SNVBAGLBSA-N 2 1 241.360 0.735 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720870141 712872163 /nfs/dbraw/zinc/87/21/63/712872163.db2.gz KTNRBRYYCOLLJR-WYUUTHIRSA-N 2 1 228.336 0.195 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720904075 712876183 /nfs/dbraw/zinc/87/61/83/712876183.db2.gz WGWKBLQNRYCSSF-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720895497 712876813 /nfs/dbraw/zinc/87/68/13/712876813.db2.gz XWGJZHOOZNRBSB-GUBZILKMSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000381381810 710630394 /nfs/dbraw/zinc/63/03/94/710630394.db2.gz KSXPDBGFSXBKMN-WISYIIOYSA-N 3 1 211.353 0.783 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721963047 710693765 /nfs/dbraw/zinc/69/37/65/710693765.db2.gz RGWOZDNKRCTXTQ-RWMBFGLXSA-N 2 1 244.379 0.953 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721963047 710693768 /nfs/dbraw/zinc/69/37/68/710693768.db2.gz RGWOZDNKRCTXTQ-RWMBFGLXSA-N 2 1 244.379 0.953 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723599120 710729312 /nfs/dbraw/zinc/72/93/12/710729312.db2.gz IIBNMKMIBSEGOU-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC000723912404 710734486 /nfs/dbraw/zinc/73/44/86/710734486.db2.gz OQJFDYLAHPAHID-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)O[C@@H]1CCOC1 ZINC000724922235 710749023 /nfs/dbraw/zinc/74/90/23/710749023.db2.gz PMRQGZSFEWBJLJ-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)O[C@@H]1CCOC1 ZINC000724922235 710749028 /nfs/dbraw/zinc/74/90/28/710749028.db2.gz PMRQGZSFEWBJLJ-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724922253 710749574 /nfs/dbraw/zinc/74/95/74/710749574.db2.gz PXTACMQPSNECHT-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043739693 710812618 /nfs/dbraw/zinc/81/26/18/710812618.db2.gz XHNXMBCMGFBRGQ-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044290274 710823115 /nfs/dbraw/zinc/82/31/15/710823115.db2.gz PBUHJPNNCODCNK-JTQLQIEISA-N 2 1 225.336 0.101 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044290274 710823118 /nfs/dbraw/zinc/82/31/18/710823118.db2.gz PBUHJPNNCODCNK-JTQLQIEISA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903091788 710891455 /nfs/dbraw/zinc/89/14/55/710891455.db2.gz ATOFWUVUWQCCEP-NWDGAFQWSA-N 2 1 242.363 0.600 20 0 BCADMP CCOCC[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000383775074 710916573 /nfs/dbraw/zinc/91/65/73/710916573.db2.gz IKZVMBWQEUTCRQ-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000133082715 710968179 /nfs/dbraw/zinc/96/81/79/710968179.db2.gz MQHSRVWNDYAFRS-GHMZBOCLSA-N 2 1 248.392 0.338 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](C)OC ZINC000383115101 710978094 /nfs/dbraw/zinc/97/80/94/710978094.db2.gz SLSFAPISUYWPPR-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](C)OC ZINC000383115101 710978097 /nfs/dbraw/zinc/97/80/97/710978097.db2.gz SLSFAPISUYWPPR-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH2+]CC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000383492667 710982812 /nfs/dbraw/zinc/98/28/12/710982812.db2.gz CPMLENVYEVPYSG-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531176 711014680 /nfs/dbraw/zinc/01/46/80/711014680.db2.gz BXYXYMQGJFHTTF-VWYCJHECSA-N 2 1 216.325 0.053 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1=O ZINC000385561123 711014941 /nfs/dbraw/zinc/01/49/41/711014941.db2.gz ZQFVZOHUYWDKSF-UJSNTIJXSA-N 2 1 249.358 0.193 20 0 BCADMP CC1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000387895138 711048060 /nfs/dbraw/zinc/04/80/60/711048060.db2.gz SNNWCDGXNWMHHZ-NEPJUHHUSA-N 2 1 242.363 0.146 20 0 BCADMP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000387895138 711048061 /nfs/dbraw/zinc/04/80/61/711048061.db2.gz SNNWCDGXNWMHHZ-NEPJUHHUSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)C2)N1 ZINC000389312924 711075856 /nfs/dbraw/zinc/07/58/56/711075856.db2.gz CMMAYJBHLROIND-VHSXEESVSA-N 2 1 210.325 0.266 20 0 BCADMP C[N@H+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624256 711129426 /nfs/dbraw/zinc/12/94/26/711129426.db2.gz GSVGQZNXUHCBBA-VIFPVBQESA-N 2 1 235.322 0.995 20 0 BCADMP C[N@H+]1CCCN(CCC[NH2+]C2CSC2)CC1 ZINC000390667192 711131142 /nfs/dbraw/zinc/13/11/42/711131142.db2.gz UPBDGYHCBXKAER-UHFFFAOYSA-N 2 1 243.420 0.719 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393825544 711176680 /nfs/dbraw/zinc/17/66/80/711176680.db2.gz GHNZJABTGXUITH-XQQFMLRXSA-N 2 1 242.363 0.445 20 0 BCADMP COCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393929282 711179667 /nfs/dbraw/zinc/17/96/67/711179667.db2.gz GQPLDQPMGWYBQX-NWBUJAPZSA-N 2 1 240.347 0.235 20 0 BCADMP O=C(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000394157177 711187701 /nfs/dbraw/zinc/18/77/01/711187701.db2.gz SIDNJFXIBGMPRM-OBPIAQAESA-N 2 1 249.358 0.099 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396611923 711360762 /nfs/dbraw/zinc/36/07/62/711360762.db2.gz KLMAAANORUNBTM-WDEREUQCSA-N 2 1 227.352 0.631 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396626855 711361322 /nfs/dbraw/zinc/36/13/22/711361322.db2.gz WKRSIRJFYUDHBT-UWVGGRQHSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000396537673 711353913 /nfs/dbraw/zinc/35/39/13/711353913.db2.gz BAESQIMSDHCSRV-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000396575729 711354807 /nfs/dbraw/zinc/35/48/07/711354807.db2.gz CGVXGBGBNDYMMC-YFKTTZPYSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCO ZINC000396586574 711356438 /nfs/dbraw/zinc/35/64/38/711356438.db2.gz RJQOIDWFFHCITO-GHMZBOCLSA-N 2 1 200.326 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000396604260 711358650 /nfs/dbraw/zinc/35/86/50/711358650.db2.gz OIMJNYSNROIZNQ-QJPTWQEYSA-N 2 1 211.353 0.811 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396611920 711360567 /nfs/dbraw/zinc/36/05/67/711360567.db2.gz KLMAAANORUNBTM-MNOVXSKESA-N 2 1 227.352 0.631 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NCC1=CC[N@@H+](C)CC1 ZINC000396702137 711366969 /nfs/dbraw/zinc/36/69/69/711366969.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702137 711366976 /nfs/dbraw/zinc/36/69/76/711366976.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1NCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702137 711366982 /nfs/dbraw/zinc/36/69/82/711366982.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOCCO ZINC000396726469 711369203 /nfs/dbraw/zinc/36/92/03/711369203.db2.gz YWLCUEQROGNJBA-QWRGUYRKSA-N 2 1 216.325 0.116 20 0 BCADMP C[C@H]1COCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399332189 711427832 /nfs/dbraw/zinc/42/78/32/711427832.db2.gz VNZVYPBNZHOISE-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000381381821 710630779 /nfs/dbraw/zinc/63/07/79/710630779.db2.gz KSXPDBGFSXBKMN-WYUUTHIRSA-N 3 1 211.353 0.783 20 0 BCADMP c1cnn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000383288341 710979435 /nfs/dbraw/zinc/97/94/35/710979435.db2.gz JSOZIUXMDXFCTH-JZRPKSSGSA-N 2 1 232.331 0.469 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000385008639 711003327 /nfs/dbraw/zinc/00/33/27/711003327.db2.gz XGSRWIZJBSYNFU-DRZSPHRISA-N 2 1 242.363 0.707 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2C)C1 ZINC000386540285 711032977 /nfs/dbraw/zinc/03/29/77/711032977.db2.gz DCIDIUWANRXAAS-LBPRGKRZSA-N 2 1 238.379 0.998 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC1=[NH+]CCCN1C ZINC000386476480 711029922 /nfs/dbraw/zinc/02/99/22/711029922.db2.gz RHZKZVRFAJBLIY-LLVKDONJSA-N 2 1 226.368 0.998 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]CCCN1C ZINC000386476487 711030246 /nfs/dbraw/zinc/03/02/46/711030246.db2.gz RHZKZVRFAJBLIY-NSHDSACASA-N 2 1 226.368 0.998 20 0 BCADMP C1=CC[N@@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392264827 711144656 /nfs/dbraw/zinc/14/46/56/711144656.db2.gz VJRSWXKUKLWACF-BTFPBAQTSA-N 2 1 247.386 0.834 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000396645279 711362472 /nfs/dbraw/zinc/36/24/72/711362472.db2.gz BYKUTBHWONTIDL-QWRGUYRKSA-N 2 1 212.337 0.879 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396640785 711363521 /nfs/dbraw/zinc/36/35/21/711363521.db2.gz MQFSVGSWNSDXPU-WOPDTQHZSA-N 2 1 214.353 0.981 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396721569 711366418 /nfs/dbraw/zinc/36/64/18/711366418.db2.gz UFJWACCRMWEOMW-OUAUKWLOSA-N 2 1 216.325 0.114 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674897 711474593 /nfs/dbraw/zinc/47/45/93/711474593.db2.gz VDKLPHSUNSIYQZ-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030973 711481637 /nfs/dbraw/zinc/48/16/37/711481637.db2.gz DWXHEQDWOLVNSF-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000050249380 711493482 /nfs/dbraw/zinc/49/34/82/711493482.db2.gz MOEBJJFEUFTZQH-QMMMGPOBSA-N 2 1 226.242 0.846 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000050249380 711493483 /nfs/dbraw/zinc/49/34/83/711493483.db2.gz MOEBJJFEUFTZQH-QMMMGPOBSA-N 2 1 226.242 0.846 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1oc(C)nc1C ZINC000723655492 711531665 /nfs/dbraw/zinc/53/16/65/711531665.db2.gz OXCDCYMCDGINRL-UHFFFAOYSA-N 2 1 241.335 0.959 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1oc(C)nc1C ZINC000723655492 711531667 /nfs/dbraw/zinc/53/16/67/711531667.db2.gz OXCDCYMCDGINRL-UHFFFAOYSA-N 2 1 241.335 0.959 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699845 711534786 /nfs/dbraw/zinc/53/47/86/711534786.db2.gz VTRWEZCHTZFPCX-WDEREUQCSA-N 2 1 216.325 0.055 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723709066 711535650 /nfs/dbraw/zinc/53/56/50/711535650.db2.gz LONSKWAJHORUNE-LLVKDONJSA-N 2 1 238.335 0.981 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713673 711536081 /nfs/dbraw/zinc/53/60/81/711536081.db2.gz XGUVZBBMJRHKJE-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)OC ZINC000723891381 711543715 /nfs/dbraw/zinc/54/37/15/711543715.db2.gz NVZJSCUSUBCAQH-IJLUTSLNSA-N 2 1 230.352 0.565 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724555112 711589716 /nfs/dbraw/zinc/58/97/16/711589716.db2.gz BLYPHTMUTJKCGC-OUAUKWLOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724562560 711592153 /nfs/dbraw/zinc/59/21/53/711592153.db2.gz HJEZSAGBXAEUFO-FHUSYTEZSA-N 2 1 240.347 0.602 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724564427 711592819 /nfs/dbraw/zinc/59/28/19/711592819.db2.gz TUATZSLFDVGVFZ-ZDEQEGDKSA-N 2 1 240.347 0.461 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@H]1[NH3+] ZINC000724564917 711592941 /nfs/dbraw/zinc/59/29/41/711592941.db2.gz WLBXHMPYPIPPTJ-LBELIVKGSA-N 2 1 240.347 0.459 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000724960434 711634521 /nfs/dbraw/zinc/63/45/21/711634521.db2.gz NSNVNGNAASWKOY-QNWHQSFQSA-N 2 1 240.347 0.604 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724957230 711634627 /nfs/dbraw/zinc/63/46/27/711634627.db2.gz VITXSTSOVCRUPH-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCO ZINC000396586576 711702383 /nfs/dbraw/zinc/70/23/83/711702383.db2.gz RJQOIDWFFHCITO-MNOVXSKESA-N 2 1 200.326 0.879 20 0 BCADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000310171017 711750160 /nfs/dbraw/zinc/75/01/60/711750160.db2.gz PRQIJQPBFCKZPZ-STQMWFEESA-N 2 1 242.363 0.722 20 0 BCADMP CN(C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000160038091 711805534 /nfs/dbraw/zinc/80/55/34/711805534.db2.gz XNDKNNJGTIPQGS-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000379714570 711808562 /nfs/dbraw/zinc/80/85/62/711808562.db2.gz QCFDQVPCINLARE-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000379714570 711808564 /nfs/dbraw/zinc/80/85/64/711808564.db2.gz QCFDQVPCINLARE-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH2+]CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000069730613 711893882 /nfs/dbraw/zinc/89/38/82/711893882.db2.gz XXVUMEZUUWECFX-LLVKDONJSA-N 2 1 226.320 0.623 20 0 BCADMP COC[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000721918709 711920178 /nfs/dbraw/zinc/92/01/78/711920178.db2.gz LLZOGXYBOYVJDF-OLZOCXBDSA-N 2 1 244.379 0.955 20 0 BCADMP Cc1cnc(C[NH2+]CCOCC[NH+](C)C)o1 ZINC000700362828 711990695 /nfs/dbraw/zinc/99/06/95/711990695.db2.gz ZRAZMJCLZIMPDJ-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700403925 711992436 /nfs/dbraw/zinc/99/24/36/711992436.db2.gz QJBPHKPCFFMCKJ-STQMWFEESA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660922 712011658 /nfs/dbraw/zinc/01/16/58/712011658.db2.gz JKYQINTUBTVIKB-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660922 712011659 /nfs/dbraw/zinc/01/16/59/712011659.db2.gz JKYQINTUBTVIKB-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660922 712011660 /nfs/dbraw/zinc/01/16/60/712011660.db2.gz JKYQINTUBTVIKB-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000702075966 712038092 /nfs/dbraw/zinc/03/80/92/712038092.db2.gz IYMNINOVINCFDY-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP COCC1([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000706309462 712143387 /nfs/dbraw/zinc/14/33/87/712143387.db2.gz HPTJSLWFAWCYSH-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@H]([NH3+])CC(F)F)C[C@H]2C1 ZINC000706993853 712164051 /nfs/dbraw/zinc/16/40/51/712164051.db2.gz OECJODIXYSBAGB-KXUCPTDWSA-N 2 1 233.306 0.462 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)CCn1cccn1 ZINC000707668702 712176504 /nfs/dbraw/zinc/17/65/04/712176504.db2.gz YZECCGGGLOUDPU-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)CCn1cccn1 ZINC000707668702 712176505 /nfs/dbraw/zinc/17/65/05/712176505.db2.gz YZECCGGGLOUDPU-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708369351 712191208 /nfs/dbraw/zinc/19/12/08/712191208.db2.gz VJYKDFVRNGRQNQ-NSHDSACASA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000708712986 712197750 /nfs/dbraw/zinc/19/77/50/712197750.db2.gz NFNADEATVADJBE-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000708712986 712197751 /nfs/dbraw/zinc/19/77/51/712197751.db2.gz NFNADEATVADJBE-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000708712986 712197752 /nfs/dbraw/zinc/19/77/52/712197752.db2.gz NFNADEATVADJBE-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709038921 712205964 /nfs/dbraw/zinc/20/59/64/712205964.db2.gz MUZRCTRPFXDUDX-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709038921 712205965 /nfs/dbraw/zinc/20/59/65/712205965.db2.gz MUZRCTRPFXDUDX-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP CN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000708522867 712212229 /nfs/dbraw/zinc/21/22/29/712212229.db2.gz KILJVTNEZVOCFH-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CCN(CC)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709502179 712223478 /nfs/dbraw/zinc/22/34/78/712223478.db2.gz JDWGVOZEPDDJRB-FOSCPWQOSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000710877644 712260907 /nfs/dbraw/zinc/26/09/07/712260907.db2.gz VCNASCVDFRSMKX-XYPYZODXSA-N 2 1 239.363 0.714 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]C[C@H](C)C[NH+](C)C ZINC000710955697 712267811 /nfs/dbraw/zinc/26/78/11/712267811.db2.gz DEFAGNYUOZGDOZ-QWRGUYRKSA-N 2 1 230.352 0.925 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000710966818 712269619 /nfs/dbraw/zinc/26/96/19/712269619.db2.gz LHYFGEGXQOEKPQ-LLVKDONJSA-N 2 1 239.319 0.704 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308645 712294120 /nfs/dbraw/zinc/29/41/20/712294120.db2.gz AWDXRIUKKSEMHF-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP FC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000711452706 712301630 /nfs/dbraw/zinc/30/16/30/712301630.db2.gz HCCWOYKTGUSNQL-LLVKDONJSA-N 2 1 215.316 0.183 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711468736 712302493 /nfs/dbraw/zinc/30/24/93/712302493.db2.gz KUPIITWYHWHOQW-NEPJUHHUSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711468736 712302494 /nfs/dbraw/zinc/30/24/94/712302494.db2.gz KUPIITWYHWHOQW-NEPJUHHUSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711468736 712302495 /nfs/dbraw/zinc/30/24/95/712302495.db2.gz KUPIITWYHWHOQW-NEPJUHHUSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711468736 712302496 /nfs/dbraw/zinc/30/24/96/712302496.db2.gz KUPIITWYHWHOQW-NEPJUHHUSA-N 2 1 232.343 0.979 20 0 BCADMP FC[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454074 712304045 /nfs/dbraw/zinc/30/40/45/712304045.db2.gz MKTZCSNJYGBCNV-WDEREUQCSA-N 2 1 228.311 0.799 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC1CC1 ZINC000711785881 712329905 /nfs/dbraw/zinc/32/99/05/712329905.db2.gz LFVURLFIABBSFI-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479157 712334523 /nfs/dbraw/zinc/33/45/23/712334523.db2.gz NAFRNGOPTFTEPT-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378709191 712358335 /nfs/dbraw/zinc/35/83/35/712358335.db2.gz RTQWJFBTWORIPP-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](O)CC1 ZINC000378709191 712358337 /nfs/dbraw/zinc/35/83/37/712358337.db2.gz RTQWJFBTWORIPP-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712621243 712438418 /nfs/dbraw/zinc/43/84/18/712438418.db2.gz HCJDJSUGVVPXOY-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674894 712440246 /nfs/dbraw/zinc/44/02/46/712440246.db2.gz VDKLPHSUNSIYQZ-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP COCCOCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713160922 712453604 /nfs/dbraw/zinc/45/36/04/712453604.db2.gz ZCFQVVVONMRHEN-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP COCCOCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713160922 712453605 /nfs/dbraw/zinc/45/36/05/712453605.db2.gz ZCFQVVVONMRHEN-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000713364991 712459771 /nfs/dbraw/zinc/45/97/71/712459771.db2.gz VUQGPDBBRQAWMO-NSHDSACASA-N 2 1 230.352 0.587 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713583906 712466337 /nfs/dbraw/zinc/46/63/37/712466337.db2.gz BRIPYIYUQPHDBK-GHMZBOCLSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713583906 712466338 /nfs/dbraw/zinc/46/63/38/712466338.db2.gz BRIPYIYUQPHDBK-GHMZBOCLSA-N 2 1 230.352 0.443 20 0 BCADMP CCn1cc(C[NH+]2CCC(CC[NH3+])CC2)nn1 ZINC000714432120 712486129 /nfs/dbraw/zinc/48/61/29/712486129.db2.gz AFGCCBGBDVJDNP-UHFFFAOYSA-N 2 1 237.351 0.859 20 0 BCADMP CCn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000714430285 712486272 /nfs/dbraw/zinc/48/62/72/712486272.db2.gz UPCPNJQXWBUKOY-UHFFFAOYSA-N 2 1 237.351 1.000 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOC1=O)C2 ZINC000714579742 712487802 /nfs/dbraw/zinc/48/78/02/712487802.db2.gz UIGXZQULFPODAY-DCAQKATOSA-N 2 1 239.319 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000714537971 712494138 /nfs/dbraw/zinc/49/41/38/712494138.db2.gz WUDJOMJKBGNLHG-GHMZBOCLSA-N 2 1 241.335 0.355 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715010023 712504293 /nfs/dbraw/zinc/50/42/93/712504293.db2.gz JWJJLOUAQSJYCH-TUAOUCFPSA-N 2 1 228.336 0.068 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715447824 712519474 /nfs/dbraw/zinc/51/94/74/712519474.db2.gz NBLPCPIURHQAND-SPJNRGJMSA-N 2 1 202.248 0.921 20 0 BCADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1OCCCO1 ZINC000716331222 712554896 /nfs/dbraw/zinc/55/48/96/712554896.db2.gz NRFOGGVQKOHCHV-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1OCCCO1 ZINC000716331222 712554897 /nfs/dbraw/zinc/55/48/97/712554897.db2.gz NRFOGGVQKOHCHV-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716744566 712572117 /nfs/dbraw/zinc/57/21/17/712572117.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716744566 712572118 /nfs/dbraw/zinc/57/21/18/712572118.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCF ZINC000716744566 712572120 /nfs/dbraw/zinc/57/21/20/712572120.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 2 1 220.332 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCF ZINC000716744566 712572122 /nfs/dbraw/zinc/57/21/22/712572122.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 2 1 220.332 0.979 20 0 BCADMP C[N@@H+](CCCF)CCC(=O)N1CC[NH2+]CC1 ZINC000716807180 712575945 /nfs/dbraw/zinc/57/59/45/712575945.db2.gz AYAXGDMXRBCXES-UHFFFAOYSA-N 2 1 231.315 0.100 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000818610785 712590209 /nfs/dbraw/zinc/59/02/09/712590209.db2.gz VLJFFZKMMBRXNF-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000717172469 712638157 /nfs/dbraw/zinc/63/81/57/712638157.db2.gz WHRIOGMHIRNQIW-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132946241 712639726 /nfs/dbraw/zinc/63/97/26/712639726.db2.gz KGHUYPSDLAIZHM-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000380162659 712703225 /nfs/dbraw/zinc/70/32/25/712703225.db2.gz VEXKYWJVCNJTSW-NWDGAFQWSA-N 2 1 242.363 0.288 20 0 BCADMP CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380162659 712703230 /nfs/dbraw/zinc/70/32/30/712703230.db2.gz VEXKYWJVCNJTSW-NWDGAFQWSA-N 2 1 242.363 0.288 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000384949633 712707122 /nfs/dbraw/zinc/70/71/22/712707122.db2.gz LMIUOGIZSBABAY-JQWIXIFHSA-N 2 1 228.336 0.332 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000384949418 712707144 /nfs/dbraw/zinc/70/71/44/712707144.db2.gz LKMTTYAFWCTEJN-JTQLQIEISA-N 2 1 216.325 0.319 20 0 BCADMP CCC[N@@H+](C[C@@H](C)O)C1CC[NH2+]CC1 ZINC000037688245 712738723 /nfs/dbraw/zinc/73/87/23/712738723.db2.gz QXOPBOFXLRRCOU-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718546224 712768634 /nfs/dbraw/zinc/76/86/34/712768634.db2.gz COHHKIZKFMNBEJ-PMUOWJKOSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@H]1[C@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000719477868 712808365 /nfs/dbraw/zinc/80/83/65/712808365.db2.gz YEHIJRDAXVDQPU-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416470 712841004 /nfs/dbraw/zinc/84/10/04/712841004.db2.gz PZYJQSNTCWNGDE-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416465 712841017 /nfs/dbraw/zinc/84/10/17/712841017.db2.gz PZYJQSNTCWNGDE-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])c(C)nn1 ZINC000720522442 712849027 /nfs/dbraw/zinc/84/90/27/712849027.db2.gz LEVHRAFZTRZVRI-UHFFFAOYSA-N 2 1 238.335 0.501 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)OC ZINC000720839558 712869382 /nfs/dbraw/zinc/86/93/82/712869382.db2.gz POFOOTQOXIWOOL-QJPTWQEYSA-N 2 1 228.336 0.189 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720870141 712872162 /nfs/dbraw/zinc/87/21/62/712872162.db2.gz KTNRBRYYCOLLJR-WYUUTHIRSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884547 712874323 /nfs/dbraw/zinc/87/43/23/712874323.db2.gz CCRCQZDKMZPGLD-NXEZZACHSA-N 2 1 223.320 0.173 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720887331 712874423 /nfs/dbraw/zinc/87/44/23/712874423.db2.gz IGLRSSRZABZGIK-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH3+] ZINC000720886020 712874428 /nfs/dbraw/zinc/87/44/28/712874428.db2.gz GSBVTDUHXIRHII-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP C[NH2+]CCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720899765 712875145 /nfs/dbraw/zinc/87/51/45/712875145.db2.gz MVQMXFBRXHAOHS-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901456 712875742 /nfs/dbraw/zinc/87/57/42/712875742.db2.gz SALRTASNGGPNAT-FIQHERPVSA-N 2 1 237.347 0.419 20 0 BCADMP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932980 712879972 /nfs/dbraw/zinc/87/99/72/712879972.db2.gz YVPIOFHKKYITSK-WOPDTQHZSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932980 712879973 /nfs/dbraw/zinc/87/99/73/712879973.db2.gz YVPIOFHKKYITSK-WOPDTQHZSA-N 2 1 210.321 0.849 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040793 712888077 /nfs/dbraw/zinc/88/80/77/712888077.db2.gz YHXBCSBUQRNFMZ-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040793 712888079 /nfs/dbraw/zinc/88/80/79/712888079.db2.gz YHXBCSBUQRNFMZ-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP COC(=O)N(C)CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721051705 712888688 /nfs/dbraw/zinc/88/86/88/712888688.db2.gz GZHFZUBJTSYIIH-MNOVXSKESA-N 2 1 243.351 0.472 20 0 BCADMP COC(=O)N(C)CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721051705 712888690 /nfs/dbraw/zinc/88/86/90/712888690.db2.gz GZHFZUBJTSYIIH-MNOVXSKESA-N 2 1 243.351 0.472 20 0 BCADMP C[N@H+]1CCO[C@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001164670437 719369772 /nfs/dbraw/zinc/36/97/72/719369772.db2.gz UUTOJRJBDUTJJM-QWRGUYRKSA-N 2 1 234.303 0.183 20 0 BCADMP C[NH+](C)[C@H]1CCCN(c2ncnc3c2C[NH2+]C3)C1 ZINC001165036912 721888891 /nfs/dbraw/zinc/88/88/91/721888891.db2.gz WKESJFMQNKEIHQ-JTQLQIEISA-N 2 1 247.346 0.610 20 0 BCADMP C[NH2+]CCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000418328679 192025389 /nfs/dbraw/zinc/02/53/89/192025389.db2.gz NTTLOSRNQJWLLW-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000649322652 398144751 /nfs/dbraw/zinc/14/47/51/398144751.db2.gz CGTOQKLCNGMNFM-WUHRBBMRSA-N 2 1 249.358 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153238875 136212832 /nfs/dbraw/zinc/21/28/32/136212832.db2.gz PXVOZVYZVUQVSD-PHIMTYICSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000257754610 349483636 /nfs/dbraw/zinc/48/36/36/349483636.db2.gz ZONBYVUMSSRKNI-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649342313 398158959 /nfs/dbraw/zinc/15/89/59/398158959.db2.gz ZGBSOAWBWWLOMD-KKOKHZNYSA-N 2 1 237.347 0.195 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893800 349495257 /nfs/dbraw/zinc/49/52/57/349495257.db2.gz PSZPALVKEDMEFM-WCQYABFASA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@H+]1C ZINC000649333371 398150032 /nfs/dbraw/zinc/15/00/32/398150032.db2.gz PHKGJGFXJPZLFN-ZIQFBCGOSA-N 2 1 237.347 0.336 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000602324733 349504892 /nfs/dbraw/zinc/50/48/92/349504892.db2.gz LFBVAKLYHNCTSD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000602324733 349504895 /nfs/dbraw/zinc/50/48/95/349504895.db2.gz LFBVAKLYHNCTSD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000602324733 349504898 /nfs/dbraw/zinc/50/48/98/349504898.db2.gz LFBVAKLYHNCTSD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H](CCO)[N@@H+](C)CCCn1ccnc1 ZINC000649870317 398156378 /nfs/dbraw/zinc/15/63/78/398156378.db2.gz ZRSJWWSCXKPPSJ-NSHDSACASA-N 2 1 211.309 0.976 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000649341516 398157840 /nfs/dbraw/zinc/15/78/40/398157840.db2.gz CJGWFILFTUGRTA-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000390366857 398171928 /nfs/dbraw/zinc/17/19/28/398171928.db2.gz ULPONYDVAIQRFJ-SNVBAGLBSA-N 2 1 224.308 0.435 20 0 BCADMP c1[nH]nnc1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177847 /nfs/dbraw/zinc/17/78/47/398177847.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 1 249.362 0.765 20 0 BCADMP C[NH2+]CCC[N@@H+](CCO)CC(C)(C)C ZINC000380000809 398180473 /nfs/dbraw/zinc/18/04/73/398180473.db2.gz MNGXKNPNWXBOCF-UHFFFAOYSA-N 2 1 202.342 0.936 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423233147 398165155 /nfs/dbraw/zinc/16/51/55/398165155.db2.gz JFTHLJNJHFHPSW-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423233145 398165344 /nfs/dbraw/zinc/16/53/44/398165344.db2.gz JFTHLJNJHFHPSW-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379779534 398166720 /nfs/dbraw/zinc/16/67/20/398166720.db2.gz FKCBAXGJEWWKPO-LLVKDONJSA-N 2 1 208.309 0.494 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000380112027 398187536 /nfs/dbraw/zinc/18/75/36/398187536.db2.gz KWXNJYSLNBPRHQ-NWDGAFQWSA-N 2 1 242.363 0.730 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000380112027 398187537 /nfs/dbraw/zinc/18/75/37/398187537.db2.gz KWXNJYSLNBPRHQ-NWDGAFQWSA-N 2 1 242.363 0.730 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000385812778 398189552 /nfs/dbraw/zinc/18/95/52/398189552.db2.gz ZOHRWSPHWXQPFA-CHWSQXEVSA-N 2 1 249.362 0.742 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000385812778 398189553 /nfs/dbraw/zinc/18/95/53/398189553.db2.gz ZOHRWSPHWXQPFA-CHWSQXEVSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000576230838 365531309 /nfs/dbraw/zinc/53/13/09/365531309.db2.gz PUYBNMRNVPZTRZ-BDAKNGLRSA-N 2 1 249.305 0.427 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cnccn1 ZINC000576230624 365531548 /nfs/dbraw/zinc/53/15/48/365531548.db2.gz IVTNBMMWTCQRIZ-NSHDSACASA-N 2 1 220.320 0.908 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000336748194 398198015 /nfs/dbraw/zinc/19/80/15/398198015.db2.gz SKWXIMWIJBBKMK-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000336748194 398198018 /nfs/dbraw/zinc/19/80/18/398198018.db2.gz SKWXIMWIJBBKMK-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)cc[nH+]1 ZINC000365264187 178113858 /nfs/dbraw/zinc/11/38/58/178113858.db2.gz IYOGRTUWDHTGSX-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)cc[nH+]1 ZINC000365264187 178113861 /nfs/dbraw/zinc/11/38/61/178113861.db2.gz IYOGRTUWDHTGSX-UHFFFAOYSA-N 2 1 248.330 0.387 20 0 BCADMP c1ncn(C[C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000649412981 398209757 /nfs/dbraw/zinc/20/97/57/398209757.db2.gz GUDPJMPIUSRIKY-CHWSQXEVSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000069724584 398213599 /nfs/dbraw/zinc/21/35/99/398213599.db2.gz FNJKOLVSBMZFQG-QWRGUYRKSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000069724584 398213601 /nfs/dbraw/zinc/21/36/01/398213601.db2.gz FNJKOLVSBMZFQG-QWRGUYRKSA-N 2 1 222.336 0.979 20 0 BCADMP CC[NH2+]CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643505393 398213600 /nfs/dbraw/zinc/21/36/00/398213600.db2.gz WSKYACBCFCQRCH-NSHDSACASA-N 2 1 213.369 0.916 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000380993664 398216158 /nfs/dbraw/zinc/21/61/58/398216158.db2.gz LTRQMUNVEGMONL-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000380993664 398216160 /nfs/dbraw/zinc/21/61/60/398216160.db2.gz LTRQMUNVEGMONL-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP [NH3+]CC[C@@H]1CCCCN1C(=O)CC(F)(F)C[NH3+] ZINC000576355846 365574864 /nfs/dbraw/zinc/57/48/64/365574864.db2.gz LYPPNNOUAFESPA-VIFPVBQESA-N 2 1 249.305 0.700 20 0 BCADMP [NH3+]C[C@@H]([NH2+]CCn1cncn1)C1CCCCC1 ZINC000649420217 398219421 /nfs/dbraw/zinc/21/94/21/398219421.db2.gz PXXDRUXCUNDSKQ-GFCCVEGCSA-N 2 1 237.351 0.775 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000576330497 365566807 /nfs/dbraw/zinc/56/68/07/365566807.db2.gz YDNFEDVEVKAGEA-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000576412501 365590695 /nfs/dbraw/zinc/59/06/95/365590695.db2.gz NFSVNWPGNMVWFJ-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417449554 398223705 /nfs/dbraw/zinc/22/37/05/398223705.db2.gz YCIVKVGEPPCEAZ-GARJFASQSA-N 2 1 244.383 0.752 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418384031 192030903 /nfs/dbraw/zinc/03/09/03/192030903.db2.gz NVCYWASOONWYIG-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948481 488174068 /nfs/dbraw/zinc/17/40/68/488174068.db2.gz NYLCQAUHIAQXSK-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](CN)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643519229 398233034 /nfs/dbraw/zinc/23/30/34/398233034.db2.gz HYBPAZZQPXLWLF-ZJUUUORDSA-N 2 1 246.318 0.660 20 0 BCADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643519229 398233035 /nfs/dbraw/zinc/23/30/35/398233035.db2.gz HYBPAZZQPXLWLF-ZJUUUORDSA-N 2 1 246.318 0.660 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000430764340 398231125 /nfs/dbraw/zinc/23/11/25/398231125.db2.gz PPKJRIVXDSGXNJ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430758994 398231177 /nfs/dbraw/zinc/23/11/77/398231177.db2.gz FAWGICLFOIDAFB-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000381218776 398236245 /nfs/dbraw/zinc/23/62/45/398236245.db2.gz GLGXJLWKFZJKBW-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000381218776 398236248 /nfs/dbraw/zinc/23/62/48/398236248.db2.gz GLGXJLWKFZJKBW-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)N1CC[NH+](C)CC1 ZINC000418437368 192035543 /nfs/dbraw/zinc/03/55/43/192035543.db2.gz KGWOVFWJYROXKI-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC000629968277 361817004 /nfs/dbraw/zinc/81/70/04/361817004.db2.gz ZGBIWPHRIPBYMV-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000576466259 365603794 /nfs/dbraw/zinc/60/37/94/365603794.db2.gz JPBDVIOOZMQCRH-IONNQARKSA-N 2 1 247.289 0.192 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000669528891 488176546 /nfs/dbraw/zinc/17/65/46/488176546.db2.gz PPVRYQHALLWSKT-YWVKMMECSA-N 2 1 240.351 0.116 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992999 398244854 /nfs/dbraw/zinc/24/48/54/398244854.db2.gz ZOKTXJWPNQILFP-VOAKCMCISA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992999 398244858 /nfs/dbraw/zinc/24/48/58/398244858.db2.gz ZOKTXJWPNQILFP-VOAKCMCISA-N 3 1 225.380 0.901 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000576519724 365615936 /nfs/dbraw/zinc/61/59/36/365615936.db2.gz FXNYITFFBMHSPI-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000580903451 398250629 /nfs/dbraw/zinc/25/06/29/398250629.db2.gz SXJMFGHAUDWPGP-JTQLQIEISA-N 2 1 238.335 0.648 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000576644439 365647388 /nfs/dbraw/zinc/64/73/88/365647388.db2.gz FUZHMGNNXHJVHF-FRRDWIJNSA-N 2 1 244.379 0.440 20 0 BCADMP CC1(C)CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000381604073 398254262 /nfs/dbraw/zinc/25/42/62/398254262.db2.gz PELNFFRONQVWLB-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP CC1(C)C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000381604073 398254264 /nfs/dbraw/zinc/25/42/64/398254264.db2.gz PELNFFRONQVWLB-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP CCc1nc(N[C@@H](C)[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000381803219 398254864 /nfs/dbraw/zinc/25/48/64/398254864.db2.gz UNGMABZGKHRMRG-BDAKNGLRSA-N 2 1 208.309 0.917 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990308 488178334 /nfs/dbraw/zinc/17/83/34/488178334.db2.gz HCOOTCNJKGDFRC-YVECIDJPSA-N 2 1 224.348 0.831 20 0 BCADMP CCc1nc(N[C@H](C)[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000381803221 398273877 /nfs/dbraw/zinc/27/38/77/398273877.db2.gz UNGMABZGKHRMRG-DTWKUNHWSA-N 2 1 208.309 0.917 20 0 BCADMP C[C@@]1(CN2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000335603754 136235947 /nfs/dbraw/zinc/23/59/47/136235947.db2.gz UOMRPNCSOFLEAF-GFCCVEGCSA-N 2 1 211.353 0.657 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000167199371 361862254 /nfs/dbraw/zinc/86/22/54/361862254.db2.gz GHMRPQSZPPMVFE-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742426 342745863 /nfs/dbraw/zinc/74/58/63/342745863.db2.gz DZAVOMHXKHOWIH-GMTAPVOTSA-N 2 1 225.336 0.182 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852382 398279291 /nfs/dbraw/zinc/27/92/91/398279291.db2.gz TWISESGBUKGGFS-VXGBXAGGSA-N 3 1 211.353 0.527 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852382 398279293 /nfs/dbraw/zinc/27/92/93/398279293.db2.gz TWISESGBUKGGFS-VXGBXAGGSA-N 3 1 211.353 0.527 20 0 BCADMP CO[C@@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381860994 398280679 /nfs/dbraw/zinc/28/06/79/398280679.db2.gz WCOKKCSEDXTBGI-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381860994 398280681 /nfs/dbraw/zinc/28/06/81/398280681.db2.gz WCOKKCSEDXTBGI-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP CCC(CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308491730 168388669 /nfs/dbraw/zinc/38/86/69/168388669.db2.gz BVNZOLXKELTZRR-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP CCC(CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308491730 168388672 /nfs/dbraw/zinc/38/86/72/168388672.db2.gz BVNZOLXKELTZRR-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+](C)CC1 ZINC000418449619 192043298 /nfs/dbraw/zinc/04/32/98/192043298.db2.gz SCDKPINJMABZFH-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC000630015789 361902940 /nfs/dbraw/zinc/90/29/40/361902940.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 2 1 236.319 0.852 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC000630015789 361902943 /nfs/dbraw/zinc/90/29/43/361902943.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 2 1 236.319 0.852 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165932 398293087 /nfs/dbraw/zinc/29/30/87/398293087.db2.gz XJKLSYNMZCQTMP-JLLWLGSASA-N 2 1 237.347 0.289 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516894 192046570 /nfs/dbraw/zinc/04/65/70/192046570.db2.gz UALLTRSSVMGRQW-MNOVXSKESA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883467 398299263 /nfs/dbraw/zinc/29/92/63/398299263.db2.gz WKNQLZXQSGSYFI-KOLCDFICSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000037049926 398300211 /nfs/dbraw/zinc/30/02/11/398300211.db2.gz RHUCKMDEPOZENI-UHFFFAOYSA-N 2 1 201.314 0.134 20 0 BCADMP CN(C)c1cc(NC(=O)C[NH2+]C2CC2)cc[nH+]1 ZINC000583993057 342852484 /nfs/dbraw/zinc/85/24/84/342852484.db2.gz VKGZUTCIXRPYHU-UHFFFAOYSA-N 2 1 234.303 0.838 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167193594 136244215 /nfs/dbraw/zinc/24/42/15/136244215.db2.gz UDKFKCSUWBDQCZ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000167342109 136245634 /nfs/dbraw/zinc/24/56/34/136245634.db2.gz HVGIAZIOVOLLQG-JQWIXIFHSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@H+](C)C1CC1 ZINC000167337241 136245730 /nfs/dbraw/zinc/24/57/30/136245730.db2.gz QZCVIDKSLRKFKO-WCBMZHEXSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167337241 136245731 /nfs/dbraw/zinc/24/57/31/136245731.db2.gz QZCVIDKSLRKFKO-WCBMZHEXSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@H+](C)C1CC1 ZINC000167337350 136245803 /nfs/dbraw/zinc/24/58/03/136245803.db2.gz QZCVIDKSLRKFKO-PSASIEDQSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@@H+](C)C1CC1 ZINC000167337350 136245804 /nfs/dbraw/zinc/24/58/04/136245804.db2.gz QZCVIDKSLRKFKO-PSASIEDQSA-N 2 1 243.376 0.248 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418560945 192050857 /nfs/dbraw/zinc/05/08/57/192050857.db2.gz DPUFECLRWPZDSB-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756558 398326132 /nfs/dbraw/zinc/32/61/32/398326132.db2.gz WXLAZAZLDPAGJB-LLVKDONJSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037476566 398327805 /nfs/dbraw/zinc/32/78/05/398327805.db2.gz RFVZFHMYSPLBAE-GARJFASQSA-N 2 1 225.336 0.467 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](CC)CC1 ZINC000418598039 192053992 /nfs/dbraw/zinc/05/39/92/192053992.db2.gz FMNWBCUHTUHPGI-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000564945200 398329223 /nfs/dbraw/zinc/32/92/23/398329223.db2.gz WYUFUWFAKJHHCR-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[NH+]1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000037477607 342936319 /nfs/dbraw/zinc/93/63/19/342936319.db2.gz DIJZRIIAMIXMBE-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000037694123 342941310 /nfs/dbraw/zinc/94/13/10/342941310.db2.gz FBQIYDGUTKPCPU-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000392811691 398335611 /nfs/dbraw/zinc/33/56/11/398335611.db2.gz BZJDXFNBFBJGMN-GFCCVEGCSA-N 2 1 237.347 0.364 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392856544 398335638 /nfs/dbraw/zinc/33/56/38/398335638.db2.gz IAEUKRMTOJNTLP-SNVBAGLBSA-N 2 1 211.309 0.102 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351811191 136254716 /nfs/dbraw/zinc/25/47/16/136254716.db2.gz BBGBCPATYXHTHY-CMPLNLGQSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351811191 136254717 /nfs/dbraw/zinc/25/47/17/136254717.db2.gz BBGBCPATYXHTHY-CMPLNLGQSA-N 2 1 223.320 0.894 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351856799 136258276 /nfs/dbraw/zinc/25/82/76/136258276.db2.gz WKXDBNUEMFNMKP-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119004716 343065613 /nfs/dbraw/zinc/06/56/13/343065613.db2.gz PAQRGLIFFZRUPY-MXWKQRLJSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@H]1CCCC[NH2+]1 ZINC000562956765 323035126 /nfs/dbraw/zinc/03/51/26/323035126.db2.gz FLDBZNHWNWKXDW-QNWHQSFQSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092956368 343150244 /nfs/dbraw/zinc/15/02/44/343150244.db2.gz YKLFXWJVHLNYSK-UMNHJUIQSA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576943717 365728035 /nfs/dbraw/zinc/72/80/35/365728035.db2.gz TUGMZOLZSAYWAK-GFCCVEGCSA-N 3 1 227.352 0.037 20 0 BCADMP [NH3+]CCOCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576943717 365728042 /nfs/dbraw/zinc/72/80/42/365728042.db2.gz TUGMZOLZSAYWAK-GFCCVEGCSA-N 2 1 227.352 0.037 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000576967038 365736995 /nfs/dbraw/zinc/73/69/95/365736995.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000576967038 365736998 /nfs/dbraw/zinc/73/69/98/365736998.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000576967038 365737002 /nfs/dbraw/zinc/73/70/02/365737002.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH2+]CC1CC[NH+](Cc2nncn2C)CC1 ZINC000150302293 343196912 /nfs/dbraw/zinc/19/69/12/343196912.db2.gz FUARGNMPUIWRIV-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP Cn1cnnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000150283288 343197192 /nfs/dbraw/zinc/19/71/92/343197192.db2.gz PBSLFHLHZJHBNO-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000150283288 343197193 /nfs/dbraw/zinc/19/71/93/343197193.db2.gz PBSLFHLHZJHBNO-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000147785638 343198362 /nfs/dbraw/zinc/19/83/62/343198362.db2.gz DZMGHHLHIJSWNB-SNVBAGLBSA-N 2 1 237.347 0.468 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000157213851 343199570 /nfs/dbraw/zinc/19/95/70/343199570.db2.gz YWBUNLGKQIDGKS-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157232352 343199809 /nfs/dbraw/zinc/19/98/09/343199809.db2.gz XFRWYLLGJNMWFY-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000161211629 343204616 /nfs/dbraw/zinc/20/46/16/343204616.db2.gz GHRCDYQKIINECV-RWMBFGLXSA-N 2 1 242.363 0.994 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000161211629 343204617 /nfs/dbraw/zinc/20/46/17/343204617.db2.gz GHRCDYQKIINECV-RWMBFGLXSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(C)c1 ZINC000133598066 343191124 /nfs/dbraw/zinc/19/11/24/343191124.db2.gz DEBRFYZNZNGYJG-ONGXEEELSA-N 2 1 208.309 0.732 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(C)c1 ZINC000133598066 343191125 /nfs/dbraw/zinc/19/11/25/343191125.db2.gz DEBRFYZNZNGYJG-ONGXEEELSA-N 2 1 208.309 0.732 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091292 136284227 /nfs/dbraw/zinc/28/42/27/136284227.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091292 136284228 /nfs/dbraw/zinc/28/42/28/136284228.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091292 136284229 /nfs/dbraw/zinc/28/42/29/136284229.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000634688009 343245001 /nfs/dbraw/zinc/24/50/01/343245001.db2.gz FICKOOAVIZZABF-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000634687983 343245324 /nfs/dbraw/zinc/24/53/24/343245324.db2.gz FAFMVBQHLRDRBQ-YPMHNXCESA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000634687983 343245326 /nfs/dbraw/zinc/24/53/26/343245326.db2.gz FAFMVBQHLRDRBQ-YPMHNXCESA-N 2 1 234.347 0.776 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000069838933 343292374 /nfs/dbraw/zinc/29/23/74/343292374.db2.gz IHDZBJGQRRAFNC-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335658448 136307261 /nfs/dbraw/zinc/30/72/61/136307261.db2.gz UKHGOPARTTVFKY-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335658447 136307373 /nfs/dbraw/zinc/30/73/73/136307373.db2.gz UKHGOPARTTVFKY-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000166221042 136310577 /nfs/dbraw/zinc/31/05/77/136310577.db2.gz BZAVZJXTDFQYTK-GHMZBOCLSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000166232118 136315471 /nfs/dbraw/zinc/31/54/71/136315471.db2.gz RFZVRFIVKBBBQL-GUBZILKMSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000166232118 136315472 /nfs/dbraw/zinc/31/54/72/136315472.db2.gz RFZVRFIVKBBBQL-GUBZILKMSA-N 2 1 225.336 0.323 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084891 136322529 /nfs/dbraw/zinc/32/25/29/136322529.db2.gz ZKFCCEJRKDYNNV-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407392 /nfs/dbraw/zinc/40/73/92/343407392.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407394 /nfs/dbraw/zinc/40/73/94/343407394.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407395 /nfs/dbraw/zinc/40/73/95/343407395.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407397 /nfs/dbraw/zinc/40/73/97/343407397.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407398 /nfs/dbraw/zinc/40/73/98/343407398.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000310272094 343407400 /nfs/dbraw/zinc/40/74/00/343407400.db2.gz NRAYKPXMYPTKPH-GHMZBOCLSA-N 2 1 246.351 0.040 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624490 343408005 /nfs/dbraw/zinc/40/80/05/343408005.db2.gz OGZXGRVPMIYRHT-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000166277687 136330912 /nfs/dbraw/zinc/33/09/12/136330912.db2.gz YTADBUOGSYORNP-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@@H](C)C1 ZINC000247976080 136373325 /nfs/dbraw/zinc/37/33/25/136373325.db2.gz KYRHHKKILKPISR-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@@H](C)C1 ZINC000247976080 136373326 /nfs/dbraw/zinc/37/33/26/136373326.db2.gz KYRHHKKILKPISR-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000310394025 343469548 /nfs/dbraw/zinc/46/95/48/343469548.db2.gz HABSWZPYLAREHV-GFCCVEGCSA-N 2 1 236.319 0.450 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@H]1C ZINC000310486444 343509688 /nfs/dbraw/zinc/50/96/88/343509688.db2.gz DZZIUBSZTOJVJC-AGIUHOORSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000310486444 343509689 /nfs/dbraw/zinc/50/96/89/343509689.db2.gz DZZIUBSZTOJVJC-AGIUHOORSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000310486444 343509691 /nfs/dbraw/zinc/50/96/91/343509691.db2.gz DZZIUBSZTOJVJC-AGIUHOORSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000310534192 343527869 /nfs/dbraw/zinc/52/78/69/343527869.db2.gz OVHXVHNEFPGVMQ-LBPRGKRZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000379948357 365760483 /nfs/dbraw/zinc/76/04/83/365760483.db2.gz ZNASVEZLQJZGTG-NWDGAFQWSA-N 2 1 246.395 0.686 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000310449368 343498255 /nfs/dbraw/zinc/49/82/55/343498255.db2.gz ZSTRXLCOOPAZMO-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941975 365755733 /nfs/dbraw/zinc/75/57/33/365755733.db2.gz ZEXVHYUWKDVWPG-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941979 365755748 /nfs/dbraw/zinc/75/57/48/365755748.db2.gz ZEXVHYUWKDVWPG-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165331 362248361 /nfs/dbraw/zinc/24/83/61/362248361.db2.gz BJWHRGPIKKRMRU-SECBINFHSA-N 2 1 232.291 0.713 20 0 BCADMP CC(C)[C@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165625 362248824 /nfs/dbraw/zinc/24/88/24/362248824.db2.gz HIURRGFQGHUWRX-NSHDSACASA-N 2 1 246.318 0.959 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000380004313 365794820 /nfs/dbraw/zinc/79/48/20/365794820.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000380004313 365794823 /nfs/dbraw/zinc/79/48/23/365794823.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000380004313 365794825 /nfs/dbraw/zinc/79/48/25/365794825.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)[C@H](C)[NH3+] ZINC000418716277 192063903 /nfs/dbraw/zinc/06/39/03/192063903.db2.gz ZPNLXBJHWZEMLB-OUAUKWLOSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000154669645 343745689 /nfs/dbraw/zinc/74/56/89/343745689.db2.gz GWYJYIILNQPAMY-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000557633996 343714930 /nfs/dbraw/zinc/71/49/30/343714930.db2.gz QTKQBYXIDGRDLY-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000187902273 259370795 /nfs/dbraw/zinc/37/07/95/259370795.db2.gz YILULRZDGGEUDS-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187902273 259370797 /nfs/dbraw/zinc/37/07/97/259370797.db2.gz YILULRZDGGEUDS-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187902273 259370798 /nfs/dbraw/zinc/37/07/98/259370798.db2.gz YILULRZDGGEUDS-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000187902247 259370310 /nfs/dbraw/zinc/37/03/10/259370310.db2.gz YILULRZDGGEUDS-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000187902247 259370311 /nfs/dbraw/zinc/37/03/11/259370311.db2.gz YILULRZDGGEUDS-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000187902247 259370312 /nfs/dbraw/zinc/37/03/12/259370312.db2.gz YILULRZDGGEUDS-RYUDHWBXSA-N 2 1 246.420 0.984 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000621703829 343756636 /nfs/dbraw/zinc/75/66/36/343756636.db2.gz RVNUGUCCNRHIPE-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000381042228 343878383 /nfs/dbraw/zinc/87/83/83/343878383.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC[C@](C)([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641176163 362254245 /nfs/dbraw/zinc/25/42/45/362254245.db2.gz WZJQBAZDXYINDJ-LBPRGKRZSA-N 2 1 248.334 0.838 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(CCOC)C1CC1 ZINC000381072038 343933983 /nfs/dbraw/zinc/93/39/83/343933983.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733750 344114005 /nfs/dbraw/zinc/11/40/05/344114005.db2.gz MUNPLJPMZNVAEF-SYQHCUMBSA-N 2 1 237.391 0.964 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000130334452 344131223 /nfs/dbraw/zinc/13/12/23/344131223.db2.gz QOYNFWIKKGVYEU-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000130387979 344134725 /nfs/dbraw/zinc/13/47/25/344134725.db2.gz VNDVEHAONHEKRH-CYBMUJFWSA-N 2 1 249.358 0.972 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000130580596 344149853 /nfs/dbraw/zinc/14/98/53/344149853.db2.gz CSDXONQYWIVISF-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000130604406 344150732 /nfs/dbraw/zinc/15/07/32/344150732.db2.gz MFJJBKSXMMPTFK-FXPVBKGRSA-N 2 1 225.336 0.465 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779133 344310928 /nfs/dbraw/zinc/31/09/28/344310928.db2.gz DRJQNZMLAAOTJU-TXEJJXNPSA-N 2 1 235.331 0.931 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779133 344310930 /nfs/dbraw/zinc/31/09/30/344310930.db2.gz DRJQNZMLAAOTJU-TXEJJXNPSA-N 2 1 235.331 0.931 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000131812267 344334317 /nfs/dbraw/zinc/33/43/17/344334317.db2.gz KFZPMQYXQCCVFG-SECBINFHSA-N 2 1 231.365 0.153 20 0 BCADMP COC(=O)CCCC[N@@H+](C)CCC[NH3+] ZINC000600702911 344359850 /nfs/dbraw/zinc/35/98/50/344359850.db2.gz IVRNZOQVPGPXEY-UHFFFAOYSA-N 2 1 202.298 0.610 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000600712355 344361577 /nfs/dbraw/zinc/36/15/77/344361577.db2.gz XFQAKVJPZHCPOU-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000600711245 344361771 /nfs/dbraw/zinc/36/17/71/344361771.db2.gz RYXJVIODJZOPRM-UHFFFAOYSA-N 2 1 226.320 0.753 20 0 BCADMP COC(=O)CCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000600711245 344361772 /nfs/dbraw/zinc/36/17/72/344361772.db2.gz RYXJVIODJZOPRM-UHFFFAOYSA-N 2 1 226.320 0.753 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CCC[NH3+])CC[N@H+]1C ZINC000132972347 344310272 /nfs/dbraw/zinc/31/02/72/344310272.db2.gz AITRGLNQLWBZBM-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000236826560 344405752 /nfs/dbraw/zinc/40/57/52/344405752.db2.gz HFQKJMFNCBEQRD-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH3+] ZINC000236825415 344406510 /nfs/dbraw/zinc/40/65/10/344406510.db2.gz DUTULJCKJDZMPU-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336764027 537844602 /nfs/dbraw/zinc/84/46/02/537844602.db2.gz PTEGNXUIEZFVLS-GRYCIOLGSA-N 2 1 214.353 0.933 20 0 BCADMP CC[NH2+]CCCNC(=O)N1CC[NH+](CC)CC1 ZINC000584281526 344416320 /nfs/dbraw/zinc/41/63/20/344416320.db2.gz UXSDQGRKNQPXJO-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336764030 537844872 /nfs/dbraw/zinc/84/48/72/537844872.db2.gz PTEGNXUIEZFVLS-WOPDTQHZSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000380836387 344442791 /nfs/dbraw/zinc/44/27/91/344442791.db2.gz RRJNUHUBKHMGNS-GHMZBOCLSA-N 2 1 223.324 0.195 20 0 BCADMP Cc1c[nH]c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC000628291868 347051887 /nfs/dbraw/zinc/05/18/87/347051887.db2.gz YDELSNOARHYGCG-QWRGUYRKSA-N 2 1 220.320 0.854 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000037481301 344508937 /nfs/dbraw/zinc/50/89/37/344508937.db2.gz MCZAQVOSFOIWII-LBPRGKRZSA-N 2 1 227.352 0.668 20 0 BCADMP CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000381540108 344517577 /nfs/dbraw/zinc/51/75/77/344517577.db2.gz IIBHURLRDQRBEM-VXGBXAGGSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000381540108 344517578 /nfs/dbraw/zinc/51/75/78/344517578.db2.gz IIBHURLRDQRBEM-VXGBXAGGSA-N 2 1 230.352 0.456 20 0 BCADMP CSCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282229 344517592 /nfs/dbraw/zinc/51/75/92/344517592.db2.gz LDCKZDHVCCAMBL-AOOOYVTPSA-N 2 1 200.351 0.891 20 0 BCADMP COC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043629072 344529134 /nfs/dbraw/zinc/52/91/34/344529134.db2.gz CDDVQXTUBBPOBT-SNVBAGLBSA-N 2 1 228.336 0.822 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812574 344590926 /nfs/dbraw/zinc/59/09/26/344590926.db2.gz ZOSYSAXPUPXVDY-MNOVXSKESA-N 2 1 223.320 0.045 20 0 BCADMP O=C([C@@H]1CCCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812577 344591026 /nfs/dbraw/zinc/59/10/26/344591026.db2.gz RTISIMNQMCYPQL-NEPJUHHUSA-N 2 1 237.347 0.435 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH+](C)C ZINC000625969752 344629187 /nfs/dbraw/zinc/62/91/87/344629187.db2.gz SNUPXKLRVZICGB-UHFFFAOYSA-N 2 1 224.308 0.212 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625976041 344639743 /nfs/dbraw/zinc/63/97/43/344639743.db2.gz LUOMBPFZRSJAHJ-SJHCENCUSA-N 2 1 244.379 0.701 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625976041 344639745 /nfs/dbraw/zinc/63/97/45/344639745.db2.gz LUOMBPFZRSJAHJ-SJHCENCUSA-N 2 1 244.379 0.701 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])C(C)C)n1 ZINC000309463206 347068251 /nfs/dbraw/zinc/06/82/51/347068251.db2.gz PHUCHVXZQRFHQE-IONNQARKSA-N 2 1 212.297 0.876 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000684172780 488271581 /nfs/dbraw/zinc/27/15/81/488271581.db2.gz PAUNXOSRZCATSG-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3COC[C@H]3O)CC[C@@H]21 ZINC000463105580 530059040 /nfs/dbraw/zinc/05/90/40/530059040.db2.gz HCJCTDSGZZUSMI-MROQNXINSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3COC[C@H]3O)CC[C@@H]21 ZINC000463105580 530059041 /nfs/dbraw/zinc/05/90/41/530059041.db2.gz HCJCTDSGZZUSMI-MROQNXINSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3COC[C@H]3O)CC[C@@H]21 ZINC000463105580 530059042 /nfs/dbraw/zinc/05/90/42/530059042.db2.gz HCJCTDSGZZUSMI-MROQNXINSA-N 2 1 240.347 0.162 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860295 344786066 /nfs/dbraw/zinc/78/60/66/344786066.db2.gz QUWHKOPMHCEQGD-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860295 344786067 /nfs/dbraw/zinc/78/60/67/344786067.db2.gz QUWHKOPMHCEQGD-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000562981448 323077883 /nfs/dbraw/zinc/07/78/83/323077883.db2.gz LYIFCZNSGCMAIH-VWYCJHECSA-N 2 1 227.352 0.380 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000582127379 344898103 /nfs/dbraw/zinc/89/81/03/344898103.db2.gz SZSFOLLGMNJICO-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250369731 192369772 /nfs/dbraw/zinc/36/97/72/192369772.db2.gz SPFAJLMDESRIEH-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+](C[C@@H](O)CNC1CC[NH+](C)CC1)C1CC1 ZINC000310430733 259382521 /nfs/dbraw/zinc/38/25/21/259382521.db2.gz SPVPHGLQGPEFSJ-ZDUSSCGKSA-N 2 1 241.379 0.125 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000155695438 345096812 /nfs/dbraw/zinc/09/68/12/345096812.db2.gz PVXFZGHFFQRGIC-UMNHJUIQSA-N 2 1 241.379 0.959 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155853898 345110653 /nfs/dbraw/zinc/11/06/53/345110653.db2.gz GZJFHLCAHQDNGW-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155853898 345110655 /nfs/dbraw/zinc/11/06/55/345110655.db2.gz GZJFHLCAHQDNGW-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000634991744 345178537 /nfs/dbraw/zinc/17/85/37/345178537.db2.gz QAENKUGTNNXRAY-SDDRHHMPSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000634991744 345178539 /nfs/dbraw/zinc/17/85/39/345178539.db2.gz QAENKUGTNNXRAY-SDDRHHMPSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000634991895 345179371 /nfs/dbraw/zinc/17/93/71/345179371.db2.gz VRHBXWGRQHSTFT-QJPTWQEYSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000634991895 345179372 /nfs/dbraw/zinc/17/93/72/345179372.db2.gz VRHBXWGRQHSTFT-QJPTWQEYSA-N 3 1 213.369 0.886 20 0 BCADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959499 345133174 /nfs/dbraw/zinc/13/31/74/345133174.db2.gz SPPXPQFZIZMAPD-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)O1 ZINC000634996229 345187586 /nfs/dbraw/zinc/18/75/86/345187586.db2.gz DKGRNOYLOFZMQG-ZYGVAYEYSA-N 2 1 210.321 0.896 20 0 BCADMP OCC1([NH2+]CC23CC(C2)C[NH2+]3)CCSCC1 ZINC000634996189 345187708 /nfs/dbraw/zinc/18/77/08/345187708.db2.gz CDFNMMSHVYSIIH-UHFFFAOYSA-N 2 1 242.388 0.586 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000310483930 259383105 /nfs/dbraw/zinc/38/31/05/259383105.db2.gz DNZRNGMKVKKVCT-UTUOFQBUSA-N 2 1 244.379 0.702 20 0 BCADMP OC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCOC1 ZINC000634996691 345191142 /nfs/dbraw/zinc/19/11/42/345191142.db2.gz QRUJWHPBFHXRLJ-QBHFIFKDSA-N 2 1 240.347 0.116 20 0 BCADMP C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635068526 345237417 /nfs/dbraw/zinc/23/74/17/345237417.db2.gz JSWJBPLMNXSAHP-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635071171 345239148 /nfs/dbraw/zinc/23/91/48/345239148.db2.gz ZIGZORWUOFDCIU-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635071172 345239496 /nfs/dbraw/zinc/23/94/96/345239496.db2.gz ZIGZORWUOFDCIU-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635111640 345249029 /nfs/dbraw/zinc/24/90/29/345249029.db2.gz KJPBQYFMEVPBFX-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP Cn1nnc2c1CC[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000634996683 345191484 /nfs/dbraw/zinc/19/14/84/345191484.db2.gz QODADLCLOWUVRH-RUETXSTFSA-N 2 1 247.346 0.014 20 0 BCADMP Cn1nnc2c1CC[C@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000634996682 345191490 /nfs/dbraw/zinc/19/14/90/345191490.db2.gz QODADLCLOWUVRH-QUNCOHTASA-N 2 1 247.346 0.014 20 0 BCADMP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994102 345192897 /nfs/dbraw/zinc/19/28/97/345192897.db2.gz QLDYXIITNRMYNA-UZEXVOJHSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994102 345192898 /nfs/dbraw/zinc/19/28/98/345192898.db2.gz QLDYXIITNRMYNA-UZEXVOJHSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@H+]1C ZINC000565042188 345193959 /nfs/dbraw/zinc/19/39/59/345193959.db2.gz XTJUMPKPOBKWKL-NOHGZBONSA-N 2 1 237.347 0.337 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000600964993 345196688 /nfs/dbraw/zinc/19/66/88/345196688.db2.gz BUXIDIJNOXTXKF-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000600964993 345196690 /nfs/dbraw/zinc/19/66/90/345196690.db2.gz BUXIDIJNOXTXKF-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000600964993 345196692 /nfs/dbraw/zinc/19/66/92/345196692.db2.gz BUXIDIJNOXTXKF-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000600964993 345196693 /nfs/dbraw/zinc/19/66/93/345196693.db2.gz BUXIDIJNOXTXKF-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000634998787 345199503 /nfs/dbraw/zinc/19/95/03/345199503.db2.gz LCBVMCIILISRRL-GRYCIOLGSA-N 2 1 212.337 0.940 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000449078815 201803077 /nfs/dbraw/zinc/80/30/77/201803077.db2.gz YTYOOZCJEMZDLV-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCCn2nccc21)C1C[NH2+]C1 ZINC000635013678 345218089 /nfs/dbraw/zinc/21/80/89/345218089.db2.gz UXQKFIAWSQCCIO-KOLCDFICSA-N 2 1 220.320 0.916 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000635134215 345255270 /nfs/dbraw/zinc/25/52/70/345255270.db2.gz CFMOVPFYLKYZOI-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000635134208 345255348 /nfs/dbraw/zinc/25/53/48/345255348.db2.gz CFMOVPFYLKYZOI-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000566804707 345341189 /nfs/dbraw/zinc/34/11/89/345341189.db2.gz INJQFTGJTHEKPT-VXGBXAGGSA-N 2 1 239.319 0.044 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000566804707 345341191 /nfs/dbraw/zinc/34/11/91/345341191.db2.gz INJQFTGJTHEKPT-VXGBXAGGSA-N 2 1 239.319 0.044 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635398478 345346083 /nfs/dbraw/zinc/34/60/83/345346083.db2.gz VXDYFYRCIWQWMU-SNVBAGLBSA-N 2 1 238.335 0.648 20 0 BCADMP CNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158636399 345359144 /nfs/dbraw/zinc/35/91/44/345359144.db2.gz DEUJFZIJLSHDON-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158364409 345326789 /nfs/dbraw/zinc/32/67/89/345326789.db2.gz NFQDIYRTZKPSDR-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000635506580 345405832 /nfs/dbraw/zinc/40/58/32/345405832.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000635506580 345405834 /nfs/dbraw/zinc/40/58/34/345405834.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000635506580 345405836 /nfs/dbraw/zinc/40/58/36/345405836.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000082241805 345497656 /nfs/dbraw/zinc/49/76/56/345497656.db2.gz CIBLYKQFBCMEGR-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635540580 345519897 /nfs/dbraw/zinc/51/98/97/345519897.db2.gz MYGLKAZTIPWQIC-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP OC1CC[NH+](CCC[NH2+]Cc2cc[nH]c2)CC1 ZINC000086251641 345536802 /nfs/dbraw/zinc/53/68/02/345536802.db2.gz JQJQUPBXAOGBTP-UHFFFAOYSA-N 2 1 237.347 0.951 20 0 BCADMP Cn1nncc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043106 345614603 /nfs/dbraw/zinc/61/46/03/345614603.db2.gz GBYBYJINFSHWMD-YPMHNXCESA-N 2 1 249.362 0.731 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559553 345760336 /nfs/dbraw/zinc/76/03/36/345760336.db2.gz TWTIINYJDPEKGC-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000168018481 345723175 /nfs/dbraw/zinc/72/31/75/345723175.db2.gz RIVOUFVXWBYWLL-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP OCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000212455700 345735216 /nfs/dbraw/zinc/73/52/16/345735216.db2.gz VJGGDCNJLWURQA-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600986348 345772040 /nfs/dbraw/zinc/77/20/40/345772040.db2.gz WGSLNSHGIHTLNZ-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600986348 345772042 /nfs/dbraw/zinc/77/20/42/345772042.db2.gz WGSLNSHGIHTLNZ-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600986348 345772045 /nfs/dbraw/zinc/77/20/45/345772045.db2.gz WGSLNSHGIHTLNZ-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000635633429 345911742 /nfs/dbraw/zinc/91/17/42/345911742.db2.gz FWNDDSNFALDPSY-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000635677451 345974607 /nfs/dbraw/zinc/97/46/07/345974607.db2.gz SKSUMVOXBFYTAB-HOSYDEDBSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000635786033 346068839 /nfs/dbraw/zinc/06/88/39/346068839.db2.gz GCYLUHOJUNQZJR-GHMZBOCLSA-N 2 1 239.363 0.703 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000051821955 346085646 /nfs/dbraw/zinc/08/56/46/346085646.db2.gz XWUXIIDLHNICHO-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000635953863 346123037 /nfs/dbraw/zinc/12/30/37/346123037.db2.gz NTDHQWDUTMNAEL-RYUDHWBXSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000635956503 346131665 /nfs/dbraw/zinc/13/16/65/346131665.db2.gz YLYFLQNXPHPMIS-MXWKQRLJSA-N 2 1 225.336 0.099 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000571058031 323106092 /nfs/dbraw/zinc/10/60/92/323106092.db2.gz KPGKRGGBUKXLOR-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636028902 346164946 /nfs/dbraw/zinc/16/49/46/346164946.db2.gz GZJGMIFGCRCWCE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636028902 346164947 /nfs/dbraw/zinc/16/49/47/346164947.db2.gz GZJGMIFGCRCWCE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)NC(C)(C)c1ncc[nH]1)N(C)C ZINC000635999052 346150139 /nfs/dbraw/zinc/15/01/39/346150139.db2.gz RVQDJVZDZGMOKA-MRVPVSSYSA-N 2 1 224.308 0.711 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636012686 346153923 /nfs/dbraw/zinc/15/39/23/346153923.db2.gz OKVYAFOAZZHYGQ-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000636020229 346158424 /nfs/dbraw/zinc/15/84/24/346158424.db2.gz RUJWCXJKGVLNON-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628239540 346200752 /nfs/dbraw/zinc/20/07/52/346200752.db2.gz VHYNTQDTUPHJAH-RYUDHWBXSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628239540 346200755 /nfs/dbraw/zinc/20/07/55/346200755.db2.gz VHYNTQDTUPHJAH-RYUDHWBXSA-N 2 1 244.404 0.928 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636167842 346342715 /nfs/dbraw/zinc/34/27/15/346342715.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 1 236.319 0.710 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636167842 346342720 /nfs/dbraw/zinc/34/27/20/346342720.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 1 236.319 0.710 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CCCC[NH3+] ZINC000069734229 349956413 /nfs/dbraw/zinc/95/64/13/349956413.db2.gz XMRVTLZAOHWCBS-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@H+]1C ZINC000636337828 346402240 /nfs/dbraw/zinc/40/22/40/346402240.db2.gz BSVJXPUDEDJCTM-NWDGAFQWSA-N 2 1 241.379 0.735 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000641797986 362738013 /nfs/dbraw/zinc/73/80/13/362738013.db2.gz BJDSWKWMVFFOND-WCQYABFASA-N 2 1 234.347 0.646 20 0 BCADMP C[C@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000641798618 362745124 /nfs/dbraw/zinc/74/51/24/362745124.db2.gz KDUCSXRSMPZVJX-QWRGUYRKSA-N 2 1 222.336 0.645 20 0 BCADMP CN(CCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000641796635 362740406 /nfs/dbraw/zinc/74/04/06/362740406.db2.gz FIOCZLQIIKFHFZ-JTQLQIEISA-N 2 1 208.309 0.256 20 0 BCADMP C[C@H]([NH3+])[C@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000641797032 362741674 /nfs/dbraw/zinc/74/16/74/362741674.db2.gz QDSLLIZIPCNPBM-CMPLNLGQSA-N 2 1 238.335 0.011 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@@H](C)[NH2+]1 ZINC000641797196 362742303 /nfs/dbraw/zinc/74/23/03/362742303.db2.gz XROFCAHYWRXPEA-GHMZBOCLSA-N 2 1 222.336 0.645 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1N ZINC000641801013 362753220 /nfs/dbraw/zinc/75/32/20/362753220.db2.gz LDGRFPJEWVZTTC-ZJUUUORDSA-N 2 1 220.320 0.879 20 0 BCADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000641801243 362754830 /nfs/dbraw/zinc/75/48/30/362754830.db2.gz OJFFAEMXXHNNBB-MXWKQRLJSA-N 2 1 211.353 0.701 20 0 BCADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000641801242 362755538 /nfs/dbraw/zinc/75/55/38/362755538.db2.gz OJFFAEMXXHNNBB-HBNTYKKESA-N 2 1 211.353 0.701 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000577103639 365817913 /nfs/dbraw/zinc/81/79/13/365817913.db2.gz TUSAUHLYXDYVTD-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801821 362756675 /nfs/dbraw/zinc/75/66/75/362756675.db2.gz FNGKGORFVINBLQ-AXFHLTTASA-N 2 1 241.379 0.957 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000641802365 362759745 /nfs/dbraw/zinc/75/97/45/362759745.db2.gz JPBZTGICUWECEZ-MNOVXSKESA-N 2 1 239.363 0.618 20 0 BCADMP CCCN(C(=O)CC(F)(F)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000577120238 365825355 /nfs/dbraw/zinc/82/53/55/365825355.db2.gz AQXWXNKFGRGFLF-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP CC[C@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCS1 ZINC000563628287 323132417 /nfs/dbraw/zinc/13/24/17/323132417.db2.gz CMMTYLMRTODLHN-WDEREUQCSA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCS1 ZINC000563628287 323132418 /nfs/dbraw/zinc/13/24/18/323132418.db2.gz CMMTYLMRTODLHN-WDEREUQCSA-N 2 1 232.393 0.784 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH2+]C(C)C)C1CC1 ZINC000167205933 346701636 /nfs/dbraw/zinc/70/16/36/346701636.db2.gz RWOCRSSLYHIECL-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000563629824 323132652 /nfs/dbraw/zinc/13/26/52/323132652.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484943 346700076 /nfs/dbraw/zinc/70/00/76/346700076.db2.gz TWGJYSXRARKWDZ-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000580216450 346700376 /nfs/dbraw/zinc/70/03/76/346700376.db2.gz YJRCTKAHAAUQBY-CMPLNLGQSA-N 2 1 248.330 0.162 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310553650 323133284 /nfs/dbraw/zinc/13/32/84/323133284.db2.gz HEHGQRZUHNNBSW-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP Cc1cccc(OCC[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000336722041 179165505 /nfs/dbraw/zinc/16/55/05/179165505.db2.gz SQQJIHUTCZPXST-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP Cc1cccc(OCC[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000336722041 179165508 /nfs/dbraw/zinc/16/55/08/179165508.db2.gz SQQJIHUTCZPXST-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378663384 346798352 /nfs/dbraw/zinc/79/83/52/346798352.db2.gz BCSRYHUPMREOIV-YFKTTZPYSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000641821675 362771945 /nfs/dbraw/zinc/77/19/45/362771945.db2.gz OIHQGSWQWJWLQJ-MWLCHTKSSA-N 2 1 208.309 0.479 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000641824585 362774265 /nfs/dbraw/zinc/77/42/65/362774265.db2.gz UQJVPPSMWFPUAM-DGCLKSJQSA-N 2 1 234.347 0.776 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000354574512 187374001 /nfs/dbraw/zinc/37/40/01/187374001.db2.gz GYHKJHGXKHWBOL-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480114 347230244 /nfs/dbraw/zinc/23/02/44/347230244.db2.gz VCLGQFZCLYCOTD-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000310442271 347283208 /nfs/dbraw/zinc/28/32/08/347283208.db2.gz WCTTUXRNAPDSAM-CMPLNLGQSA-N 2 1 240.351 0.383 20 0 BCADMP COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000053197143 347438508 /nfs/dbraw/zinc/43/85/08/347438508.db2.gz BNMDGABJFWOCDK-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCC[NH2+]1 ZINC000333337846 537989675 /nfs/dbraw/zinc/98/96/75/537989675.db2.gz XKPBWOKEEGXTJU-ZMLRMANQSA-N 2 1 234.347 0.997 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000577222002 365889271 /nfs/dbraw/zinc/88/92/71/365889271.db2.gz CFSURQJVQQUEOZ-VXGBXAGGSA-N 2 1 248.330 0.292 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591442542 347662151 /nfs/dbraw/zinc/66/21/51/347662151.db2.gz QYKCTVBINHTXBO-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591430375 347655367 /nfs/dbraw/zinc/65/53/67/347655367.db2.gz XJQUQMZZFIHZHR-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401756212 347759852 /nfs/dbraw/zinc/75/98/52/347759852.db2.gz RGNZMCQOHKKTQS-UWVGGRQHSA-N 2 1 228.336 0.773 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000251376868 535065364 /nfs/dbraw/zinc/06/53/64/535065364.db2.gz YHLSEWOWTHGEAL-ZYHUDNBSSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000251376868 535065371 /nfs/dbraw/zinc/06/53/71/535065371.db2.gz YHLSEWOWTHGEAL-ZYHUDNBSSA-N 2 1 241.379 0.959 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592494273 347787896 /nfs/dbraw/zinc/78/78/96/347787896.db2.gz OJHKUJANJNIRHM-RYUDHWBXSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CC1([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000593057865 347847882 /nfs/dbraw/zinc/84/78/82/347847882.db2.gz VOWJPWRTUCTEMD-UHFFFAOYSA-N 2 1 237.303 0.877 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CNC(C)(C)C[NH+](C)C ZINC000308631009 347930643 /nfs/dbraw/zinc/93/06/43/347930643.db2.gz JKRJUKGJDGIVIN-LLVKDONJSA-N 2 1 231.384 0.229 20 0 BCADMP CC[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037914232 347998287 /nfs/dbraw/zinc/99/82/87/347998287.db2.gz PYVNCVDONZFRNC-LBPRGKRZSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])[C@@H](C)C[NH2+]1 ZINC000567057622 323174168 /nfs/dbraw/zinc/17/41/68/323174168.db2.gz RTHFGQGOAFTJTE-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370740800 187386032 /nfs/dbraw/zinc/38/60/32/187386032.db2.gz OZUMAQZMCKMOHU-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000594739302 348110387 /nfs/dbraw/zinc/11/03/87/348110387.db2.gz UINSNXBVYQERJP-GHMZBOCLSA-N 2 1 237.347 0.420 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417614888 323177676 /nfs/dbraw/zinc/17/76/76/323177676.db2.gz WFIYALGGKZYEMP-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648664 348241769 /nfs/dbraw/zinc/24/17/69/348241769.db2.gz JDOJVJZCJLDTCU-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181044 348347582 /nfs/dbraw/zinc/34/75/82/348347582.db2.gz UEPRILLIBJGIPC-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308984116 323183498 /nfs/dbraw/zinc/18/34/98/323183498.db2.gz GAOBHQADWPXZIJ-VHSXEESVSA-N 2 1 212.293 0.091 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000044802716 187395781 /nfs/dbraw/zinc/39/57/81/187395781.db2.gz RVXNPXUKPQCTBY-QWRGUYRKSA-N 2 1 227.352 0.285 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CNCCO1 ZINC000595892114 348391000 /nfs/dbraw/zinc/39/10/00/348391000.db2.gz KSNRKQLWVUGBAR-WDEREUQCSA-N 2 1 242.319 0.002 20 0 BCADMP CC(C)=CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902650 348395455 /nfs/dbraw/zinc/39/54/55/348395455.db2.gz CPAVXWTYRSRMGJ-NWDGAFQWSA-N 2 1 237.347 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595905913 348396015 /nfs/dbraw/zinc/39/60/15/348396015.db2.gz XUDPJSGGMFAHQP-AOOOYVTPSA-N 2 1 214.309 0.479 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000595904551 348396037 /nfs/dbraw/zinc/39/60/37/348396037.db2.gz FPXXTYOBLSDHOF-MXWKQRLJSA-N 2 1 226.320 0.479 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596103965 348440453 /nfs/dbraw/zinc/44/04/53/348440453.db2.gz HXPUHFKSAOUEAD-UHFFFAOYSA-N 2 1 240.347 0.917 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC[C@@H](C)[NH3+] ZINC000420155697 192164842 /nfs/dbraw/zinc/16/48/42/192164842.db2.gz LJCJRMBFRPMWKW-SECBINFHSA-N 2 1 237.303 0.829 20 0 BCADMP COC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623511421 362938345 /nfs/dbraw/zinc/93/83/45/362938345.db2.gz OBPRYJQJACQKHI-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623511421 362938349 /nfs/dbraw/zinc/93/83/49/362938349.db2.gz OBPRYJQJACQKHI-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623516482 362941598 /nfs/dbraw/zinc/94/15/98/362941598.db2.gz UIQLYVGJWHSUIL-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000251703859 349183327 /nfs/dbraw/zinc/18/33/27/349183327.db2.gz XQBVUIIWEPEIPV-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000252614751 349206696 /nfs/dbraw/zinc/20/66/96/349206696.db2.gz YKLFXWJVHLNYSK-NHCYSSNCSA-N 2 1 237.347 0.337 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000383719008 349383315 /nfs/dbraw/zinc/38/33/15/349383315.db2.gz XZYBQWKOMCKWJU-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000070586127 350033023 /nfs/dbraw/zinc/03/30/23/350033023.db2.gz ICLOXNISNXSNOB-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000070586127 350033025 /nfs/dbraw/zinc/03/30/25/350033025.db2.gz ICLOXNISNXSNOB-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCSC1)C1CC1 ZINC000309119802 350035904 /nfs/dbraw/zinc/03/59/04/350035904.db2.gz SQOIFUXULRPRKE-MWLCHTKSSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCSC1)C1CC1 ZINC000309119802 350035906 /nfs/dbraw/zinc/03/59/06/350035906.db2.gz SQOIFUXULRPRKE-MWLCHTKSSA-N 2 1 230.377 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563099924 350057763 /nfs/dbraw/zinc/05/77/63/350057763.db2.gz DLWOVEKUAPFCHD-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000070799958 350059361 /nfs/dbraw/zinc/05/93/61/350059361.db2.gz QEOCJNQTROQCRF-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000070799958 350059365 /nfs/dbraw/zinc/05/93/65/350059365.db2.gz QEOCJNQTROQCRF-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000070800165 350059579 /nfs/dbraw/zinc/05/95/79/350059579.db2.gz QUXJSPVDUHJDDL-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000131751895 191017151 /nfs/dbraw/zinc/01/71/51/191017151.db2.gz IOZAKVVUHSCGGL-ZNSHCXBVSA-N 2 1 200.326 0.686 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219243701 350118274 /nfs/dbraw/zinc/11/82/74/350118274.db2.gz CQXZNPXFPSSVGA-MNOVXSKESA-N 2 1 245.367 0.197 20 0 BCADMP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000304447520 350153487 /nfs/dbraw/zinc/15/34/87/350153487.db2.gz WUOPUHLVBVQCNY-NEPJUHHUSA-N 2 1 222.336 0.861 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133789274 191043070 /nfs/dbraw/zinc/04/30/70/191043070.db2.gz BHGXIKBYMBENEH-NWDGAFQWSA-N 2 1 241.379 0.973 20 0 BCADMP COC1CC([NH2+]CCn2cc[nH+]c2C)C1 ZINC000220903982 350189802 /nfs/dbraw/zinc/18/98/02/350189802.db2.gz DQDQMYHVCHNQQT-UHFFFAOYSA-N 2 1 209.293 0.959 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000316602182 350221986 /nfs/dbraw/zinc/22/19/86/350221986.db2.gz PKZQZMOMHHDODB-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000316602182 350221988 /nfs/dbraw/zinc/22/19/88/350221988.db2.gz PKZQZMOMHHDODB-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)C(C)C ZINC000331352193 180234179 /nfs/dbraw/zinc/23/41/79/180234179.db2.gz ONMUTHTWXBLKRX-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)C(C)C ZINC000331352193 180234180 /nfs/dbraw/zinc/23/41/80/180234180.db2.gz ONMUTHTWXBLKRX-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1OCCO1 ZINC000272248081 180235845 /nfs/dbraw/zinc/23/58/45/180235845.db2.gz KQEXMAMWGRVSAY-UHFFFAOYSA-N 2 1 239.319 0.886 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1OCCO1 ZINC000272248081 180235848 /nfs/dbraw/zinc/23/58/48/180235848.db2.gz KQEXMAMWGRVSAY-UHFFFAOYSA-N 2 1 239.319 0.886 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H](C)[NH3+] ZINC000340235755 180236315 /nfs/dbraw/zinc/23/63/15/180236315.db2.gz JJSKTLMVTMLZON-SNVBAGLBSA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cncn1 ZINC000269672299 180237098 /nfs/dbraw/zinc/23/70/98/180237098.db2.gz BBGODUIHDGNQPS-UHFFFAOYSA-N 2 1 248.334 0.805 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cncn1 ZINC000269672299 180237099 /nfs/dbraw/zinc/23/70/99/180237099.db2.gz BBGODUIHDGNQPS-UHFFFAOYSA-N 2 1 248.334 0.805 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(N)=O ZINC000267258781 180237123 /nfs/dbraw/zinc/23/71/23/180237123.db2.gz PSTJEZUXGDSTPE-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000179493788 180237784 /nfs/dbraw/zinc/23/77/84/180237784.db2.gz AEHFWMKSFVURJW-VIFPVBQESA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(N)=O ZINC000179493788 180237786 /nfs/dbraw/zinc/23/77/86/180237786.db2.gz AEHFWMKSFVURJW-VIFPVBQESA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000310249747 180258884 /nfs/dbraw/zinc/25/88/84/180258884.db2.gz VZYGATVPBLEXLP-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262683621 180245327 /nfs/dbraw/zinc/24/53/27/180245327.db2.gz ZKIYXACXCKGYJI-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H]1C ZINC000134035076 180262222 /nfs/dbraw/zinc/26/22/22/180262222.db2.gz NMJFZOSZDHZISH-KOLCDFICSA-N 2 1 209.293 0.959 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H]1C ZINC000134035440 180263596 /nfs/dbraw/zinc/26/35/96/180263596.db2.gz NMJFZOSZDHZISH-ONGXEEELSA-N 2 1 209.293 0.959 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@@H](C)[NH3+] ZINC000340182921 180264502 /nfs/dbraw/zinc/26/45/02/180264502.db2.gz FFQNQKDHDKEVLV-VHSXEESVSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(N)=O ZINC000267274217 180264604 /nfs/dbraw/zinc/26/46/04/180264604.db2.gz TUQOEZCOESUKFJ-UWVGGRQHSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](C)C[NH3+] ZINC000285789897 180265377 /nfs/dbraw/zinc/26/53/77/180265377.db2.gz ORXIHYKBSOIWJV-ZJUUUORDSA-N 2 1 238.335 0.539 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(N)=O ZINC000267274220 180266641 /nfs/dbraw/zinc/26/66/41/180266641.db2.gz TUQOEZCOESUKFJ-VHSXEESVSA-N 2 1 238.335 0.681 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606345342 350315296 /nfs/dbraw/zinc/31/52/96/350315296.db2.gz ZKCYXKWKFGIAKT-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618561399 350319442 /nfs/dbraw/zinc/31/94/42/350319442.db2.gz YKCVAQYJBOOIGV-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000618561399 350319446 /nfs/dbraw/zinc/31/94/46/350319446.db2.gz YKCVAQYJBOOIGV-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457588 350342196 /nfs/dbraw/zinc/34/21/96/350342196.db2.gz CFMVAWLBYZYXSK-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309418287 350378994 /nfs/dbraw/zinc/37/89/94/350378994.db2.gz LBOIPDWLUIHEOR-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309418287 350378997 /nfs/dbraw/zinc/37/89/97/350378997.db2.gz LBOIPDWLUIHEOR-PWSUYJOCSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543901 362963876 /nfs/dbraw/zinc/96/38/76/362963876.db2.gz CHUYGSHZXVDION-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543901 362963883 /nfs/dbraw/zinc/96/38/83/362963883.db2.gz CHUYGSHZXVDION-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000019514114 350546637 /nfs/dbraw/zinc/54/66/37/350546637.db2.gz QVHOWWOIVBBQSL-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000122900846 350653658 /nfs/dbraw/zinc/65/36/58/350653658.db2.gz PZQJALHSWGFPHI-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000393772026 490689290 /nfs/dbraw/zinc/68/92/90/490689290.db2.gz HPUUIRAQSQDMOI-QMMMGPOBSA-N 2 1 226.349 0.597 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000393772026 490689294 /nfs/dbraw/zinc/68/92/94/490689294.db2.gz HPUUIRAQSQDMOI-QMMMGPOBSA-N 2 1 226.349 0.597 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831147 /nfs/dbraw/zinc/83/11/47/350831147.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 2 1 226.364 0.887 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831149 /nfs/dbraw/zinc/83/11/49/350831149.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 2 1 226.364 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831152 /nfs/dbraw/zinc/83/11/52/350831152.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 2 1 226.364 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831154 /nfs/dbraw/zinc/83/11/54/350831154.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 2 1 226.364 0.887 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnn2c1CCC2 ZINC000623086129 350843711 /nfs/dbraw/zinc/84/37/11/350843711.db2.gz YSAGFRFWFKYTJK-UHFFFAOYSA-N 2 1 245.330 0.895 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C/CO)CC1(C)C ZINC000623563998 362988574 /nfs/dbraw/zinc/98/85/74/362988574.db2.gz PDGFOWGAQAPFQA-SGUJLRQBSA-N 2 1 212.337 0.997 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571506 363001373 /nfs/dbraw/zinc/00/13/73/363001373.db2.gz YUQQBDGLKCFYBS-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC[C@@H]1CCCO1 ZINC000607357265 351331308 /nfs/dbraw/zinc/33/13/08/351331308.db2.gz WGOXRASBFUVZAE-UPJWGTAASA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000414680709 351588155 /nfs/dbraw/zinc/58/81/55/351588155.db2.gz NSUQSTWIHRODOZ-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000637806137 351643094 /nfs/dbraw/zinc/64/30/94/351643094.db2.gz PAMOFMNABYUBDJ-UHFFFAOYSA-N 2 1 238.335 0.732 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C)CC[N@H+]1C ZINC000637807068 351644059 /nfs/dbraw/zinc/64/40/59/351644059.db2.gz ZLJXTDNRTNOHIM-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000637809495 351646030 /nfs/dbraw/zinc/64/60/30/351646030.db2.gz RYUQTOSRMJLDGT-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000637811711 351653270 /nfs/dbraw/zinc/65/32/70/351653270.db2.gz MMNXXGVIZGQQHH-JTQLQIEISA-N 2 1 236.319 0.485 20 0 BCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000577645136 366029890 /nfs/dbraw/zinc/02/98/90/366029890.db2.gz CTOGOXPDWMRJHI-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH3+])CCCC2)C1 ZINC000637839270 351689697 /nfs/dbraw/zinc/68/96/97/351689697.db2.gz ILKKLULTARKOAY-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000637837511 351691186 /nfs/dbraw/zinc/69/11/86/351691186.db2.gz HTZDCFNQDHAOHI-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000637840305 351695397 /nfs/dbraw/zinc/69/53/97/351695397.db2.gz GKEFTXYDOLHUFW-GWCFXTLKSA-N 2 1 239.363 0.572 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637841908 351698214 /nfs/dbraw/zinc/69/82/14/351698214.db2.gz MPLQXJUKJLLESD-LBPRGKRZSA-N 2 1 236.319 0.435 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637842352 351699236 /nfs/dbraw/zinc/69/92/36/351699236.db2.gz QPHMLZULCGAKQZ-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637844137 351700121 /nfs/dbraw/zinc/70/01/21/351700121.db2.gz DXNUEVWLGJGBCI-GXSJLCMTSA-N 2 1 236.319 0.387 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC[N@H+]1C ZINC000637850109 351707450 /nfs/dbraw/zinc/70/74/50/351707450.db2.gz STLCPRIAWNJFGN-QJPTWQEYSA-N 2 1 241.379 0.816 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000637849857 351707722 /nfs/dbraw/zinc/70/77/22/351707722.db2.gz YVYLYFZCRBDELG-SNVBAGLBSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637817986 351663772 /nfs/dbraw/zinc/66/37/72/351663772.db2.gz ZNISWFCTWBQDSC-LLVKDONJSA-N 2 1 236.319 0.531 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637824675 351664431 /nfs/dbraw/zinc/66/44/31/351664431.db2.gz PPSJBQSSXLERKR-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637825866 351671731 /nfs/dbraw/zinc/67/17/31/351671731.db2.gz BANLJKVVEWVGMQ-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)Cn1c[nH+]cc1C ZINC000637859450 351716717 /nfs/dbraw/zinc/71/67/17/351716717.db2.gz YLUGTXDUSHXZGW-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749894 366053613 /nfs/dbraw/zinc/05/36/13/366053613.db2.gz CDGYEJHOGAGKMM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637850807 351708339 /nfs/dbraw/zinc/70/83/39/351708339.db2.gz CLFACRYUAIRUKP-GFCCVEGCSA-N 2 1 238.335 0.681 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000626986977 363089187 /nfs/dbraw/zinc/08/91/87/363089187.db2.gz SVMCTMARFMMRSZ-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638067172 351939806 /nfs/dbraw/zinc/93/98/06/351939806.db2.gz BMUHPIKUWCDJJU-GFCCVEGCSA-N 2 1 248.330 0.745 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071697 351943767 /nfs/dbraw/zinc/94/37/67/351943767.db2.gz HTVHHMDSRPWUSN-GXSJLCMTSA-N 2 1 223.320 0.102 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000638071935 351943932 /nfs/dbraw/zinc/94/39/32/351943932.db2.gz IJINOKZVCISONS-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)CCOC ZINC000638072435 351944939 /nfs/dbraw/zinc/94/49/39/351944939.db2.gz RYRRZEQWCOYHPK-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077839 351950644 /nfs/dbraw/zinc/95/06/44/351950644.db2.gz BHBRBMHFGPZHKT-QWRGUYRKSA-N 2 1 223.320 0.244 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000638080146 351953270 /nfs/dbraw/zinc/95/32/70/351953270.db2.gz ZLUNTLUXFAXJNZ-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638081464 351957774 /nfs/dbraw/zinc/95/77/74/351957774.db2.gz MAMGCUPCAYGOIR-VHSXEESVSA-N 2 1 225.336 0.337 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]CC ZINC000638089897 351966988 /nfs/dbraw/zinc/96/69/88/351966988.db2.gz UCNAGSNGPYWMBN-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638096574 351976877 /nfs/dbraw/zinc/97/68/77/351976877.db2.gz JSIKBNSHVFVYFH-CMPLNLGQSA-N 2 1 239.363 0.880 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638096576 351977326 /nfs/dbraw/zinc/97/73/26/351977326.db2.gz JSIKBNSHVFVYFH-PWSUYJOCSA-N 2 1 239.363 0.880 20 0 BCADMP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000638099159 351978508 /nfs/dbraw/zinc/97/85/08/351978508.db2.gz ACSAPZCAICMDAV-MWLCHTKSSA-N 2 1 237.347 0.633 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000638099657 351979723 /nfs/dbraw/zinc/97/97/23/351979723.db2.gz CWSQONBTUPTTSR-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCCOC ZINC000638121062 351995242 /nfs/dbraw/zinc/99/52/42/351995242.db2.gz DFJGOUWIZDLXQM-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000638121805 351995541 /nfs/dbraw/zinc/99/55/41/351995541.db2.gz HJVZTXXRUORSFD-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH2+]CC ZINC000638127752 351998675 /nfs/dbraw/zinc/99/86/75/351998675.db2.gz LLYWPQXSGACPNU-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638127663 351999022 /nfs/dbraw/zinc/99/90/22/351999022.db2.gz XEVBAFJIMOLIGD-PWSUYJOCSA-N 2 1 237.347 0.492 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000638176401 352042531 /nfs/dbraw/zinc/04/25/31/352042531.db2.gz YMMTWWNMIQIEAH-LBPRGKRZSA-N 2 1 237.347 0.507 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638180581 352045139 /nfs/dbraw/zinc/04/51/39/352045139.db2.gz WTQKWEBOKVDIFU-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638182924 352045832 /nfs/dbraw/zinc/04/58/32/352045832.db2.gz YZKJDIZFTPSSPS-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000638195096 352057365 /nfs/dbraw/zinc/05/73/65/352057365.db2.gz CZZKRVFXASMYSA-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195716 352057842 /nfs/dbraw/zinc/05/78/42/352057842.db2.gz PDLUTTOJPFPBGO-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196269 352060283 /nfs/dbraw/zinc/06/02/83/352060283.db2.gz SOLFQRNWQVJCKF-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638200296 352061207 /nfs/dbraw/zinc/06/12/07/352061207.db2.gz HNYSYRNWSQDAFF-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638210116 352072998 /nfs/dbraw/zinc/07/29/98/352072998.db2.gz MXPIZPMXEPHOFZ-ONGXEEELSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000638156083 352018964 /nfs/dbraw/zinc/01/89/64/352018964.db2.gz GOHGKGLNSHZNRM-UWVGGRQHSA-N 2 1 236.319 0.400 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156342 352019742 /nfs/dbraw/zinc/01/97/42/352019742.db2.gz YUJGYZIQZBMZGU-LLVKDONJSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638157040 352020641 /nfs/dbraw/zinc/02/06/41/352020641.db2.gz BAJHXNATXWPSEK-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638157973 352025516 /nfs/dbraw/zinc/02/55/16/352025516.db2.gz YCIGMHGQAUXNJY-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638211996 352074304 /nfs/dbraw/zinc/07/43/04/352074304.db2.gz XJRYRNOSBPSNMA-GXSJLCMTSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638171687 352039003 /nfs/dbraw/zinc/03/90/03/352039003.db2.gz SDAHIOPJQGFDII-ZDUSSCGKSA-N 2 1 248.330 0.404 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638175799 352041259 /nfs/dbraw/zinc/04/12/59/352041259.db2.gz NBGKGEVLKJRDKG-GFCCVEGCSA-N 2 1 237.347 0.364 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000638175671 352041439 /nfs/dbraw/zinc/04/14/39/352041439.db2.gz JGBZSCDVFNYKPX-MRVPVSSYSA-N 2 1 237.294 0.460 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000638282374 352120602 /nfs/dbraw/zinc/12/06/02/352120602.db2.gz DGKLFSRGZYSPIO-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000638282374 352120603 /nfs/dbraw/zinc/12/06/03/352120603.db2.gz DGKLFSRGZYSPIO-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]([NH3+])CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000638211030 352077149 /nfs/dbraw/zinc/07/71/49/352077149.db2.gz LSMYEIFGQWSCPG-LBPRGKRZSA-N 2 1 249.358 0.624 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638221168 352080052 /nfs/dbraw/zinc/08/00/52/352080052.db2.gz UZQANVMBXGCBNY-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC(C)(C)CCC[NH3+])C1 ZINC000638246504 352093378 /nfs/dbraw/zinc/09/33/78/352093378.db2.gz FVVSRADPENOMTO-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638247985 352094093 /nfs/dbraw/zinc/09/40/93/352094093.db2.gz RFAHPHBKVVMIMA-NEPJUHHUSA-N 2 1 248.330 0.402 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638253206 352096431 /nfs/dbraw/zinc/09/64/31/352096431.db2.gz IFDQSGGCAVVAGD-ONGXEEELSA-N 2 1 231.315 0.144 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+](C)C ZINC000638253330 352096600 /nfs/dbraw/zinc/09/66/00/352096600.db2.gz LJONYXLZOZORDP-KOLCDFICSA-N 2 1 231.315 0.097 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638257097 352100602 /nfs/dbraw/zinc/10/06/02/352100602.db2.gz SROOQGARGCTVQH-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638258221 352101720 /nfs/dbraw/zinc/10/17/20/352101720.db2.gz YSZXCDLPNYNPKX-RKDXNWHRSA-N 2 1 210.281 0.043 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638256106 352103106 /nfs/dbraw/zinc/10/31/06/352103106.db2.gz NPUDMDVBJXEVAU-LPEHRKFASA-N 2 1 213.325 0.180 20 0 BCADMP C[NH2+]CC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000083961332 352106765 /nfs/dbraw/zinc/10/67/65/352106765.db2.gz OWFYCXZMIZOZGO-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638332603 352151013 /nfs/dbraw/zinc/15/10/13/352151013.db2.gz IVCXWTAZXPNNEJ-JTQLQIEISA-N 2 1 238.335 0.681 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])C1CC1 ZINC000638332046 352153882 /nfs/dbraw/zinc/15/38/82/352153882.db2.gz LZXSHYCPVLRKQA-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]C1CC1 ZINC000638373766 352186448 /nfs/dbraw/zinc/18/64/48/352186448.db2.gz BYVXODIMWINROP-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381359 352193234 /nfs/dbraw/zinc/19/32/34/352193234.db2.gz KWPVDBAMIUAMSU-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638331003 352149068 /nfs/dbraw/zinc/14/90/68/352149068.db2.gz ZHNCSWBPFNHRMB-CMPLNLGQSA-N 2 1 248.330 0.292 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]C)CC[N@H+]1C ZINC000638430716 352238802 /nfs/dbraw/zinc/23/88/02/352238802.db2.gz AUDHUCFTYYOVJB-OUAUKWLOSA-N 2 1 227.352 0.441 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]C)CC[N@H+]1C ZINC000638430713 352238831 /nfs/dbraw/zinc/23/88/31/352238831.db2.gz AUDHUCFTYYOVJB-GARJFASQSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638396543 352203362 /nfs/dbraw/zinc/20/33/62/352203362.db2.gz KXHOIUDLNSKDJJ-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP CCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037171691 358468539 /nfs/dbraw/zinc/46/85/39/358468539.db2.gz FPKSKBKDQCCDIQ-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000638415004 352225385 /nfs/dbraw/zinc/22/53/85/352225385.db2.gz DPVQOQKBYBKOBD-YEJSDXFRSA-N 2 1 239.363 0.726 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638441489 352247779 /nfs/dbraw/zinc/24/77/79/352247779.db2.gz XDJOCJGBYPYWMT-LLVKDONJSA-N 2 1 222.292 0.060 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000638440187 352249775 /nfs/dbraw/zinc/24/97/75/352249775.db2.gz MXUXVGMXDVMGSM-LOWVWBTDSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219974148 363142580 /nfs/dbraw/zinc/14/25/80/363142580.db2.gz IFAQTJTUTXXUCU-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505299 352326726 /nfs/dbraw/zinc/32/67/26/352326726.db2.gz KQGYCCRISMJREY-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP CCN(CC[NH3+])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638513644 352339166 /nfs/dbraw/zinc/33/91/66/352339166.db2.gz UJJNZRHOFUKWRK-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2CCO[C@@H]2C)CCC[NH2+]1 ZINC000414944659 352367028 /nfs/dbraw/zinc/36/70/28/352367028.db2.gz OHGXEZGPNRJSJR-IJLUTSLNSA-N 2 1 228.336 0.522 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000638573589 352399850 /nfs/dbraw/zinc/39/98/50/352399850.db2.gz FOSXCUHPXXBKKB-WISYIIOYSA-N 2 1 239.363 0.583 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388767067 352555757 /nfs/dbraw/zinc/55/57/57/352555757.db2.gz SZOBYYBGDHKPFJ-RWMBFGLXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503521 352597747 /nfs/dbraw/zinc/59/77/47/352597747.db2.gz JGHQCVJSGDIWEX-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040458673 352597770 /nfs/dbraw/zinc/59/77/70/352597770.db2.gz RAUUDKWUCIJXRQ-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458547 352597865 /nfs/dbraw/zinc/59/78/65/352597865.db2.gz CSNZCUUSKOQSAD-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122300545 352662719 /nfs/dbraw/zinc/66/27/19/352662719.db2.gz URUMEQSODDSXCU-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122300545 352662720 /nfs/dbraw/zinc/66/27/20/352662720.db2.gz URUMEQSODDSXCU-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@H+]1C ZINC000638764807 352703989 /nfs/dbraw/zinc/70/39/89/352703989.db2.gz AUBKQKYZMCYAQY-NNYUYHANSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638766806 352706740 /nfs/dbraw/zinc/70/67/40/352706740.db2.gz XIEILKSYFZOMQO-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000334182207 352770663 /nfs/dbraw/zinc/77/06/63/352770663.db2.gz FFIXPPCOEZLUIA-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000334182207 352770665 /nfs/dbraw/zinc/77/06/65/352770665.db2.gz FFIXPPCOEZLUIA-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000334182207 352770667 /nfs/dbraw/zinc/77/06/67/352770667.db2.gz FFIXPPCOEZLUIA-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000334221155 352824457 /nfs/dbraw/zinc/82/44/57/352824457.db2.gz WKJNROUNVWTACV-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000334221155 352824461 /nfs/dbraw/zinc/82/44/61/352824461.db2.gz WKJNROUNVWTACV-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000334221155 352824464 /nfs/dbraw/zinc/82/44/64/352824464.db2.gz WKJNROUNVWTACV-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000334221176 352824628 /nfs/dbraw/zinc/82/46/28/352824628.db2.gz WNHNYQWRJBERKU-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000334221176 352824631 /nfs/dbraw/zinc/82/46/31/352824631.db2.gz WNHNYQWRJBERKU-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000638818922 352999827 /nfs/dbraw/zinc/99/98/27/352999827.db2.gz FWOLKIBAYGIZRV-VHSXEESVSA-N 2 1 243.376 0.379 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000638931534 353093020 /nfs/dbraw/zinc/09/30/20/353093020.db2.gz PXUXJPWQRKKRSE-WHOHXGKFSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638929343 353099166 /nfs/dbraw/zinc/09/91/66/353099166.db2.gz FXPGCWXYYZJEBP-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638929347 353099231 /nfs/dbraw/zinc/09/92/31/353099231.db2.gz FXPGCWXYYZJEBP-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CC[NH3+])cn1 ZINC000037005271 188083198 /nfs/dbraw/zinc/08/31/98/188083198.db2.gz GHISCXHQTPSTMI-UHFFFAOYSA-N 2 1 245.286 0.863 20 0 BCADMP C(C[NH2+][C@H]1CCC[NH2+]C1)COC[C@@H]1CCCO1 ZINC000043324921 188085744 /nfs/dbraw/zinc/08/57/44/188085744.db2.gz GGFQOSLEEPRSOI-STQMWFEESA-N 2 1 242.363 0.914 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CCCCCO)C1CC1 ZINC000336716229 188167398 /nfs/dbraw/zinc/16/73/98/188167398.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCCCCO)C1CC1 ZINC000336716229 188167400 /nfs/dbraw/zinc/16/74/00/188167400.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH+](CCCCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336716229 188167401 /nfs/dbraw/zinc/16/74/01/188167401.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH+](CCCCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336716229 188167403 /nfs/dbraw/zinc/16/74/03/188167403.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121318253 324011031 /nfs/dbraw/zinc/01/10/31/324011031.db2.gz KZBUNNCWHGWCDJ-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343254420 353251736 /nfs/dbraw/zinc/25/17/36/353251736.db2.gz XNFKWQWHYUZSIN-RVMXOQNASA-N 2 1 242.363 0.504 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343254422 353251766 /nfs/dbraw/zinc/25/17/66/353251766.db2.gz XNFKWQWHYUZSIN-UMSGYPCISA-N 2 1 242.363 0.504 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000070074112 353253382 /nfs/dbraw/zinc/25/33/82/353253382.db2.gz ANNRXCXAEXSQAJ-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183129 188185296 /nfs/dbraw/zinc/18/52/96/188185296.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H](O)C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183129 188185298 /nfs/dbraw/zinc/18/52/98/188185298.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H](O)C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183129 188185300 /nfs/dbraw/zinc/18/53/00/188185300.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCN1CCC1 ZINC000337611768 188186807 /nfs/dbraw/zinc/18/68/07/188186807.db2.gz YYUMNUXYVOFRPK-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC1 ZINC000337611768 188186809 /nfs/dbraw/zinc/18/68/09/188186809.db2.gz YYUMNUXYVOFRPK-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121294100 324008675 /nfs/dbraw/zinc/00/86/75/324008675.db2.gz CMVPRRTWRBAYOT-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121294100 324008682 /nfs/dbraw/zinc/00/86/82/324008682.db2.gz CMVPRRTWRBAYOT-GMTAPVOTSA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)(C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044751956 188217019 /nfs/dbraw/zinc/21/70/19/188217019.db2.gz AZZFLSJCOZKRHR-UHFFFAOYSA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129219148 188220867 /nfs/dbraw/zinc/22/08/67/188220867.db2.gz UKEFIKKOPRYDIB-SNVBAGLBSA-N 2 1 227.352 0.298 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131737842 188221978 /nfs/dbraw/zinc/22/19/78/188221978.db2.gz DSUPUTNNAVTPDQ-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131737842 188221979 /nfs/dbraw/zinc/22/19/79/188221979.db2.gz DSUPUTNNAVTPDQ-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](C)C ZINC000122116842 324029714 /nfs/dbraw/zinc/02/97/14/324029714.db2.gz YSCZKPPXZQUTQB-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094460146 188222969 /nfs/dbraw/zinc/22/29/69/188222969.db2.gz BNWBCLOOZVWAIW-UTUOFQBUSA-N 2 1 239.363 0.665 20 0 BCADMP CC[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000129944550 353333073 /nfs/dbraw/zinc/33/30/73/353333073.db2.gz NIDKFVTUDHQYPX-UHFFFAOYSA-N 2 1 248.330 0.318 20 0 BCADMP CO[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049023 353339946 /nfs/dbraw/zinc/33/99/46/353339946.db2.gz GSMLYRXEBYMQCW-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049023 353339948 /nfs/dbraw/zinc/33/99/48/353339948.db2.gz GSMLYRXEBYMQCW-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639049036 353340006 /nfs/dbraw/zinc/34/00/06/353340006.db2.gz GWPQXHPDOJNHJN-RYUDHWBXSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639049036 353340008 /nfs/dbraw/zinc/34/00/08/353340008.db2.gz GWPQXHPDOJNHJN-RYUDHWBXSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CS1 ZINC000639049494 353344101 /nfs/dbraw/zinc/34/41/01/353344101.db2.gz SSUORSZBHNVHOC-VWYCJHECSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CS1 ZINC000639049494 353344104 /nfs/dbraw/zinc/34/41/04/353344104.db2.gz SSUORSZBHNVHOC-VWYCJHECSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000639049203 353347865 /nfs/dbraw/zinc/34/78/65/353347865.db2.gz KCCFKZNGLRVKGZ-IVZWLZJFSA-N 2 1 234.290 0.686 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639049203 353347868 /nfs/dbraw/zinc/34/78/68/353347868.db2.gz KCCFKZNGLRVKGZ-IVZWLZJFSA-N 2 1 234.290 0.686 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000574986409 353514105 /nfs/dbraw/zinc/51/41/05/353514105.db2.gz ILVKXRTZEVNHHF-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627096241 363253508 /nfs/dbraw/zinc/25/35/08/363253508.db2.gz SWIFHCUXDYBTIH-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220087490 353816335 /nfs/dbraw/zinc/81/63/35/353816335.db2.gz XHCJYEMXDPKYJV-MNOVXSKESA-N 2 1 241.379 0.688 20 0 BCADMP CC[N@@H+](CC(=O)N(C)CC[NH+](C)C)C1CC1 ZINC000344022749 354084014 /nfs/dbraw/zinc/08/40/14/354084014.db2.gz ZWOCDLCIDVVNLO-UHFFFAOYSA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449702301 202004579 /nfs/dbraw/zinc/00/45/79/202004579.db2.gz DMCSCSSNKXSNSM-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449727465 202009377 /nfs/dbraw/zinc/00/93/77/202009377.db2.gz PZDGABNLPMJJPH-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449746559 202018426 /nfs/dbraw/zinc/01/84/26/202018426.db2.gz GJUGJBBXCJMQNG-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974360 354386519 /nfs/dbraw/zinc/38/65/19/354386519.db2.gz PBJKLILWLSZTOP-JOYOIKCWSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974360 354386520 /nfs/dbraw/zinc/38/65/20/354386520.db2.gz PBJKLILWLSZTOP-JOYOIKCWSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000578024054 366188432 /nfs/dbraw/zinc/18/84/32/366188432.db2.gz LYXSCGWVQQSVBY-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000578024054 366188437 /nfs/dbraw/zinc/18/84/37/366188437.db2.gz LYXSCGWVQQSVBY-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000578024054 366188441 /nfs/dbraw/zinc/18/84/41/366188441.db2.gz LYXSCGWVQQSVBY-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000578064712 366211281 /nfs/dbraw/zinc/21/12/81/366211281.db2.gz QBZHZFXVOSRSFW-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000383636696 354605134 /nfs/dbraw/zinc/60/51/34/354605134.db2.gz YJTCOCCZPDYJLH-FRRDWIJNSA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000383636696 354605136 /nfs/dbraw/zinc/60/51/36/354605136.db2.gz YJTCOCCZPDYJLH-FRRDWIJNSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C ZINC000232613061 363377071 /nfs/dbraw/zinc/37/70/71/363377071.db2.gz LAJDIELQEJRPFV-NWDGAFQWSA-N 2 1 213.369 0.996 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000166024888 354793569 /nfs/dbraw/zinc/79/35/69/354793569.db2.gz XZJXJPHWHVAZMN-GMTAPVOTSA-N 2 1 227.352 0.570 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639217193 354867584 /nfs/dbraw/zinc/86/75/84/354867584.db2.gz QVDQJTDIUHZZCX-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCC[N@@H+]1C ZINC000346072528 354857174 /nfs/dbraw/zinc/85/71/74/354857174.db2.gz UYIOOWLPXGTDKN-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCC[N@H+]1C ZINC000346072528 354857176 /nfs/dbraw/zinc/85/71/76/354857176.db2.gz UYIOOWLPXGTDKN-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C)CCC[N@@H+]1C ZINC000346072526 354857207 /nfs/dbraw/zinc/85/72/07/354857207.db2.gz UYIOOWLPXGTDKN-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C)CCC[N@H+]1C ZINC000346072526 354857209 /nfs/dbraw/zinc/85/72/09/354857209.db2.gz UYIOOWLPXGTDKN-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000346271482 354886474 /nfs/dbraw/zinc/88/64/74/354886474.db2.gz DHWFMOFTULFTOC-LLVKDONJSA-N 2 1 236.319 0.471 20 0 BCADMP CNC(=O)CCC[N@H+](C)CCn1cc[nH+]c1C ZINC000346255739 354881749 /nfs/dbraw/zinc/88/17/49/354881749.db2.gz QRRWPXZFXWGXDI-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000346255739 354881751 /nfs/dbraw/zinc/88/17/51/354881751.db2.gz QRRWPXZFXWGXDI-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[C@]1(CNC(=O)[C@H]2CSC[NH2+]2)CCC[NH2+]C1 ZINC000335164242 354950962 /nfs/dbraw/zinc/95/09/62/354950962.db2.gz URXYKDAUUGOYPN-KOLCDFICSA-N 2 1 243.376 0.155 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685151 355011876 /nfs/dbraw/zinc/01/18/76/355011876.db2.gz QGOZDIBHBDZAHJ-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(N(C)C)n1 ZINC000346685151 355011879 /nfs/dbraw/zinc/01/18/79/355011879.db2.gz QGOZDIBHBDZAHJ-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000335183753 355081836 /nfs/dbraw/zinc/08/18/36/355081836.db2.gz DEMPTGNABZWYFU-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346954341 355166459 /nfs/dbraw/zinc/16/64/59/355166459.db2.gz AWVQAWQHZPVFBQ-ZDUSSCGKSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346830210 355128643 /nfs/dbraw/zinc/12/86/43/355128643.db2.gz KEFQTFQGADACJW-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]21 ZINC000346836748 355131345 /nfs/dbraw/zinc/13/13/45/355131345.db2.gz VGIRPMFBRIONLF-YUSALJHKSA-N 2 1 220.320 0.969 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]21 ZINC000346836748 355131346 /nfs/dbraw/zinc/13/13/46/355131346.db2.gz VGIRPMFBRIONLF-YUSALJHKSA-N 2 1 220.320 0.969 20 0 BCADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346835823 355131557 /nfs/dbraw/zinc/13/15/57/355131557.db2.gz OENFHLQAOLKLIA-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP CN(C)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134207 /nfs/dbraw/zinc/13/42/07/355134207.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 2 1 241.379 0.248 20 0 BCADMP CN(C)C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134210 /nfs/dbraw/zinc/13/42/10/355134210.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 2 1 241.379 0.248 20 0 BCADMP COCC[N@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346845271 355135349 /nfs/dbraw/zinc/13/53/49/355135349.db2.gz MOKDNVQRMGKIMJ-NSHDSACASA-N 2 1 229.368 0.376 20 0 BCADMP COCCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346849861 355138185 /nfs/dbraw/zinc/13/81/85/355138185.db2.gz TWBFJAWYKRUHDO-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP CNC(=O)c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000347006373 355202544 /nfs/dbraw/zinc/20/25/44/355202544.db2.gz PZXSJQRMKSMSBW-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347007576 355202818 /nfs/dbraw/zinc/20/28/18/355202818.db2.gz QWEGZTWQTREZGK-LLVKDONJSA-N 2 1 242.367 0.189 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000347007576 355202819 /nfs/dbraw/zinc/20/28/19/355202819.db2.gz QWEGZTWQTREZGK-LLVKDONJSA-N 2 1 242.367 0.189 20 0 BCADMP C[C@H]1C[C@@H](O)C[N@H+]1CCCc1cncn1C ZINC000314638101 355359229 /nfs/dbraw/zinc/35/92/29/355359229.db2.gz UNLTZQONBQVSLW-CMPLNLGQSA-N 2 1 223.320 0.808 20 0 BCADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c[nH]1 ZINC000415010690 191649071 /nfs/dbraw/zinc/64/90/71/191649071.db2.gz PTJDGRMSRMHAJA-HTQZYQBOSA-N 2 1 225.292 0.627 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CCCC[NH3+] ZINC000583562531 355612627 /nfs/dbraw/zinc/61/26/27/355612627.db2.gz XZWWETMMPNUHBO-UHFFFAOYSA-N 2 1 238.335 0.827 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000336005305 134049038 /nfs/dbraw/zinc/04/90/38/134049038.db2.gz OWNLYDIOYYJQTA-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000166596428 355709487 /nfs/dbraw/zinc/70/94/87/355709487.db2.gz RTXGJCXKPJZTNO-NEPJUHHUSA-N 2 1 232.368 0.968 20 0 BCADMP CC[N@H+]1CC[C@H](NCc2ccc(C(N)=O)cc2)C1 ZINC000389189027 355805345 /nfs/dbraw/zinc/80/53/45/355805345.db2.gz UEUXOIJBIITXLZ-ZDUSSCGKSA-N 2 1 247.342 0.969 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417446803 191843199 /nfs/dbraw/zinc/84/31/99/191843199.db2.gz NHGKKHYJNZEVGU-QWRGUYRKSA-N 2 1 244.383 0.705 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000581012600 355842528 /nfs/dbraw/zinc/84/25/28/355842528.db2.gz ITKRTJJFOVWTLS-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H]1OCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309065386 355990389 /nfs/dbraw/zinc/99/03/89/355990389.db2.gz YZSLUHBCCMNKLX-KOLCDFICSA-N 2 1 209.293 0.730 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000167194283 355968159 /nfs/dbraw/zinc/96/81/59/355968159.db2.gz IMZACFKZTYHTHS-WDEREUQCSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167199491 355969681 /nfs/dbraw/zinc/96/96/81/355969681.db2.gz PYGRNUMRGDNOHG-ZJUUUORDSA-N 2 1 245.392 0.495 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167199491 355969687 /nfs/dbraw/zinc/96/96/87/355969687.db2.gz PYGRNUMRGDNOHG-ZJUUUORDSA-N 2 1 245.392 0.495 20 0 BCADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000617555106 356111863 /nfs/dbraw/zinc/11/18/63/356111863.db2.gz PZRFTTSESBFCKY-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000617555106 356111866 /nfs/dbraw/zinc/11/18/66/356111866.db2.gz PZRFTTSESBFCKY-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000617555106 356111869 /nfs/dbraw/zinc/11/18/69/356111869.db2.gz PZRFTTSESBFCKY-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000617556648 356113148 /nfs/dbraw/zinc/11/31/48/356113148.db2.gz USBDAZHJAFKCMH-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000617556648 356113153 /nfs/dbraw/zinc/11/31/53/356113153.db2.gz USBDAZHJAFKCMH-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000617556772 356114002 /nfs/dbraw/zinc/11/40/02/356114002.db2.gz XHUCGKCVRJPWFA-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617556772 356114007 /nfs/dbraw/zinc/11/40/07/356114007.db2.gz XHUCGKCVRJPWFA-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335911676 356125439 /nfs/dbraw/zinc/12/54/39/356125439.db2.gz ZRNHNDKFZBFRSN-CHWSQXEVSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335911676 356125443 /nfs/dbraw/zinc/12/54/43/356125443.db2.gz ZRNHNDKFZBFRSN-CHWSQXEVSA-N 2 1 223.364 0.670 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000351867450 356102683 /nfs/dbraw/zinc/10/26/83/356102683.db2.gz YFJQZJHPBLVAFO-WCFLWFBJSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000351867450 356102687 /nfs/dbraw/zinc/10/26/87/356102687.db2.gz YFJQZJHPBLVAFO-WCFLWFBJSA-N 2 1 247.342 0.882 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000335918414 356163578 /nfs/dbraw/zinc/16/35/78/356163578.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000335918414 356163582 /nfs/dbraw/zinc/16/35/82/356163582.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000335918414 356163589 /nfs/dbraw/zinc/16/35/89/356163589.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335917778 356164145 /nfs/dbraw/zinc/16/41/45/356164145.db2.gz KNJMMADCVCCTHG-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335917778 356164147 /nfs/dbraw/zinc/16/41/47/356164147.db2.gz KNJMMADCVCCTHG-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335917778 356164149 /nfs/dbraw/zinc/16/41/49/356164149.db2.gz KNJMMADCVCCTHG-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623261570 356148951 /nfs/dbraw/zinc/14/89/51/356148951.db2.gz XHUFNOJRWYXOOV-ZYHUDNBSSA-N 2 1 248.330 0.408 20 0 BCADMP CN1CCCC[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623261570 356148953 /nfs/dbraw/zinc/14/89/53/356148953.db2.gz XHUFNOJRWYXOOV-ZYHUDNBSSA-N 2 1 248.330 0.408 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307623 192021436 /nfs/dbraw/zinc/02/14/36/192021436.db2.gz DPWXDYSWTQVBDG-NSHDSACASA-N 2 1 242.367 0.459 20 0 BCADMP Cn1cncc1CCN1CCC[N@@H+](C)CC1 ZINC000639445928 356227224 /nfs/dbraw/zinc/22/72/24/356227224.db2.gz VQNMOABNRAGZJY-UHFFFAOYSA-N 2 1 222.336 0.600 20 0 BCADMP CN(C)c1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000420233555 192181974 /nfs/dbraw/zinc/18/19/74/192181974.db2.gz GEMOFYTVUFLAMF-PHIMTYICSA-N 2 1 247.346 0.873 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H]1Cc2cncn2C1)C1CC1 ZINC000623263094 356197978 /nfs/dbraw/zinc/19/79/78/356197978.db2.gz BLRJTBFBFVOFIV-JTQLQIEISA-N 2 1 248.330 0.408 20 0 BCADMP CCN(CC(=O)N[C@H]1Cc2cncn2C1)C1CC1 ZINC000623263094 356197980 /nfs/dbraw/zinc/19/79/80/356197980.db2.gz BLRJTBFBFVOFIV-JTQLQIEISA-N 2 1 248.330 0.408 20 0 BCADMP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCOC1 ZINC000160079938 356201143 /nfs/dbraw/zinc/20/11/43/356201143.db2.gz IMQXUQKSDLYBRK-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293488 192018151 /nfs/dbraw/zinc/01/81/51/192018151.db2.gz FPKWYDIAPXHGQD-SNVBAGLBSA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@@H]1CCC[NH2+]1 ZINC000333294681 356271947 /nfs/dbraw/zinc/27/19/47/356271947.db2.gz PDBYBVZGNDZECY-UTUOFQBUSA-N 2 1 249.362 0.713 20 0 BCADMP C[NH2+][C@@H](C)CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420244443 192186022 /nfs/dbraw/zinc/18/60/22/192186022.db2.gz QBLOUQKYKPKQJO-VIFPVBQESA-N 2 1 246.318 0.991 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301272 192206173 /nfs/dbraw/zinc/20/61/73/192206173.db2.gz LFZAHWUNCWKNGW-VXGBXAGGSA-N 2 1 244.404 0.786 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299638 192206218 /nfs/dbraw/zinc/20/62/18/192206218.db2.gz BDTDYRDENMTVOI-QJPTWQEYSA-N 2 1 240.347 0.999 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420319543 192196216 /nfs/dbraw/zinc/19/62/16/192196216.db2.gz XQXGDNGVRAOGPR-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000336126732 134093414 /nfs/dbraw/zinc/09/34/14/134093414.db2.gz GFNZYZZVCQAYMW-MNOVXSKESA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000336126732 134093415 /nfs/dbraw/zinc/09/34/15/134093415.db2.gz GFNZYZZVCQAYMW-MNOVXSKESA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+][C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420286840 192201994 /nfs/dbraw/zinc/20/19/94/192201994.db2.gz FUMKVGHKZUHOHD-NEPJUHHUSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420286840 192201996 /nfs/dbraw/zinc/20/19/96/192201996.db2.gz FUMKVGHKZUHOHD-NEPJUHHUSA-N 3 1 211.353 0.670 20 0 BCADMP NC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292665 192202651 /nfs/dbraw/zinc/20/26/51/192202651.db2.gz PUQANGORTNXRLO-RYUDHWBXSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292665 192202654 /nfs/dbraw/zinc/20/26/54/192202654.db2.gz PUQANGORTNXRLO-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292665 192202655 /nfs/dbraw/zinc/20/26/55/192202655.db2.gz PUQANGORTNXRLO-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420291929 192203326 /nfs/dbraw/zinc/20/33/26/192203326.db2.gz OPFFSRDJMUQDAM-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)OC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420318203 192214406 /nfs/dbraw/zinc/21/44/06/192214406.db2.gz PVHDGZWXURWUGD-NSHDSACASA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420318203 192214407 /nfs/dbraw/zinc/21/44/07/192214407.db2.gz PVHDGZWXURWUGD-NSHDSACASA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)CC1(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000420318418 192215222 /nfs/dbraw/zinc/21/52/22/192215222.db2.gz OALOFQIJEYQSDE-QWRGUYRKSA-N 2 1 240.347 0.999 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329825 192215245 /nfs/dbraw/zinc/21/52/45/192215245.db2.gz PCAGPWOTFOHMMO-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338543 192216810 /nfs/dbraw/zinc/21/68/10/192216810.db2.gz RWMDWIIDTOFZAC-UNXYVOJBSA-N 2 1 211.353 0.798 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000420353691 192216928 /nfs/dbraw/zinc/21/69/28/192216928.db2.gz BXBCEOHNKCRNGS-LLVKDONJSA-N 2 1 244.335 0.237 20 0 BCADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349929 192217187 /nfs/dbraw/zinc/21/71/87/192217187.db2.gz FFPDKMWUGIEWDC-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349929 192217189 /nfs/dbraw/zinc/21/71/89/192217189.db2.gz FFPDKMWUGIEWDC-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000336359997 356347422 /nfs/dbraw/zinc/34/74/22/356347422.db2.gz WTQRADYMKDPXDG-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420307461 192208583 /nfs/dbraw/zinc/20/85/83/192208583.db2.gz MIBMFHAPHUQETE-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420307461 192208586 /nfs/dbraw/zinc/20/85/86/192208586.db2.gz MIBMFHAPHUQETE-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250864330 181267692 /nfs/dbraw/zinc/26/76/92/181267692.db2.gz QZAKYZBDSVVXHF-QWRGUYRKSA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250864330 181267694 /nfs/dbraw/zinc/26/76/94/181267694.db2.gz QZAKYZBDSVVXHF-QWRGUYRKSA-N 2 1 225.336 0.326 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420303973 192209493 /nfs/dbraw/zinc/20/94/93/192209493.db2.gz IDXRSKFLKVBMLJ-HBNTYKKESA-N 2 1 226.320 0.609 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420308625 192211743 /nfs/dbraw/zinc/21/17/43/192211743.db2.gz DAQHXNWZTIYRLR-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420308625 192211745 /nfs/dbraw/zinc/21/17/45/192211745.db2.gz DAQHXNWZTIYRLR-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420316794 192212052 /nfs/dbraw/zinc/21/20/52/192212052.db2.gz NSKBXEJXVISMID-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000420316794 192212053 /nfs/dbraw/zinc/21/20/53/192212053.db2.gz NSKBXEJXVISMID-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420316791 192212747 /nfs/dbraw/zinc/21/27/47/192212747.db2.gz NSKBXEJXVISMID-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420316791 192212749 /nfs/dbraw/zinc/21/27/49/192212749.db2.gz NSKBXEJXVISMID-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CCCCC[N@@H+](CCO)CCN1CC[NH2+]CC1 ZINC000420317145 192212955 /nfs/dbraw/zinc/21/29/55/192212955.db2.gz NJBINWJHWXQZHB-UHFFFAOYSA-N 2 1 243.395 0.376 20 0 BCADMP CCCCNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420368190 192225901 /nfs/dbraw/zinc/22/59/01/192225901.db2.gz NIOSMTDOKIUJDU-NSHDSACASA-N 2 1 241.379 0.880 20 0 BCADMP CC[C@@H](C)[N@H+](CCOCC[NH3+])CC(=O)OC ZINC000420366619 192226199 /nfs/dbraw/zinc/22/61/99/192226199.db2.gz GGDNRSAHFHDKRX-SNVBAGLBSA-N 2 1 232.324 0.235 20 0 BCADMP CC[C@@H](C)[N@@H+](CCOCC[NH3+])CC(=O)OC ZINC000420366619 192226202 /nfs/dbraw/zinc/22/62/02/192226202.db2.gz GGDNRSAHFHDKRX-SNVBAGLBSA-N 2 1 232.324 0.235 20 0 BCADMP C[N@@H+](CCCN1CCOCC1)C1CC([NH3+])C1 ZINC000420322519 192226742 /nfs/dbraw/zinc/22/67/42/192226742.db2.gz AHBFLQWLMCZXCQ-UHFFFAOYSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420370188 192228003 /nfs/dbraw/zinc/22/80/03/192228003.db2.gz OUIMTSKHLCUOGG-LPWJVIDDSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420370190 192228116 /nfs/dbraw/zinc/22/81/16/192228116.db2.gz OUIMTSKHLCUOGG-NDBYEHHHSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420370186 192228352 /nfs/dbraw/zinc/22/83/52/192228352.db2.gz OUIMTSKHLCUOGG-FVCCEPFGSA-N 3 1 225.380 0.962 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCO[C@H](C)C1 ZINC000420326437 192228868 /nfs/dbraw/zinc/22/88/68/192228868.db2.gz XKYXBXIMSIQSNI-OLZOCXBDSA-N 2 1 243.395 0.670 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328448 192229509 /nfs/dbraw/zinc/22/95/09/192229509.db2.gz MNHRDHZHCVZLLC-VXGBXAGGSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420327276 192229565 /nfs/dbraw/zinc/22/95/65/192229565.db2.gz YBSLVXLALKUNEV-NSHDSACASA-N 2 1 216.325 0.903 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325056 192229737 /nfs/dbraw/zinc/22/97/37/192229737.db2.gz HXUVZGAEEHEZBF-NEPJUHHUSA-N 2 1 240.347 0.871 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420327572 192229764 /nfs/dbraw/zinc/22/97/64/192229764.db2.gz DFEQHLRPSVIJOE-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420327572 192229767 /nfs/dbraw/zinc/22/97/67/192229767.db2.gz DFEQHLRPSVIJOE-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420324716 192229820 /nfs/dbraw/zinc/22/98/20/192229820.db2.gz CKJGKWPIQNYNPM-UHFFFAOYSA-N 2 1 214.309 0.750 20 0 BCADMP COC(=O)CC[N@@H+](CC(C)C)C[C@H](C)[NH3+] ZINC000420361900 192222718 /nfs/dbraw/zinc/22/27/18/192222718.db2.gz NSNKBLJOLWPYKY-JTQLQIEISA-N 2 1 216.325 0.855 20 0 BCADMP [NH3+]CCOCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420364661 192223301 /nfs/dbraw/zinc/22/33/01/192223301.db2.gz KKEHSMYHRYFDPW-GFCCVEGCSA-N 2 1 229.368 0.459 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])CCc1nccs1 ZINC000420365805 192223978 /nfs/dbraw/zinc/22/39/78/192223978.db2.gz SQZHWEYMDGHZPW-UHFFFAOYSA-N 2 1 243.376 0.983 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420393668 192237020 /nfs/dbraw/zinc/23/70/20/192237020.db2.gz YLZIUTPSGAYIHV-GFCCVEGCSA-N 2 1 213.369 0.917 20 0 BCADMP C[N@H+]1CC[C@@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408701 192239608 /nfs/dbraw/zinc/23/96/08/192239608.db2.gz PSJHXUWBUSXPBR-CHWSQXEVSA-N 2 1 219.332 0.980 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420373167 192231045 /nfs/dbraw/zinc/23/10/45/192231045.db2.gz QWKKHTPIOZPSJP-GMXVVIOVSA-N 2 1 241.379 0.831 20 0 BCADMP COC[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375756 192231050 /nfs/dbraw/zinc/23/10/50/192231050.db2.gz UHVQUGJXPKCMMZ-VPOLOUISSA-N 2 1 200.326 0.997 20 0 BCADMP CCOC(=O)CCCC[N@H+](C)CC[NH3+] ZINC000420372878 192232229 /nfs/dbraw/zinc/23/22/29/192232229.db2.gz FXGDVPKYPVGXQM-UHFFFAOYSA-N 2 1 202.298 0.610 20 0 BCADMP CCOC(=O)CCCC[N@@H+](C)CC[NH3+] ZINC000420372878 192232230 /nfs/dbraw/zinc/23/22/30/192232230.db2.gz FXGDVPKYPVGXQM-UHFFFAOYSA-N 2 1 202.298 0.610 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000420375177 192232245 /nfs/dbraw/zinc/23/22/45/192232245.db2.gz SUFLJFVTGDDRDM-CKYFFXLPSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(C)(C)O ZINC000420381237 192233631 /nfs/dbraw/zinc/23/36/31/192233631.db2.gz ZBLKURMUVDORSH-BBBLOLIVSA-N 2 1 200.326 0.733 20 0 BCADMP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1ccnc1 ZINC000368971882 181275975 /nfs/dbraw/zinc/27/59/75/181275975.db2.gz DNKIQQMOUSIEBL-WOPDTQHZSA-N 2 1 248.330 0.469 20 0 BCADMP CC[NH+](CCC[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352220536 134108695 /nfs/dbraw/zinc/10/86/95/134108695.db2.gz IFBKPKMKTKTJGZ-STQMWFEESA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410903 356483488 /nfs/dbraw/zinc/48/34/88/356483488.db2.gz KGDOZCRMSMHDNF-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[C@H](CCO)[NH2+]CCc1c[nH+]cn1C ZINC000639577366 356498518 /nfs/dbraw/zinc/49/85/18/356498518.db2.gz FJLWEGQNMNISAC-LBPRGKRZSA-N 2 1 225.336 0.959 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@](F)(CO)C1 ZINC000639628972 356544742 /nfs/dbraw/zinc/54/47/42/356544742.db2.gz SZUPGWLLYQZDPI-LLVKDONJSA-N 2 1 227.283 0.369 20 0 BCADMP Cn1cncc1CCN1CC[C@](F)(CO)C1 ZINC000639628972 356544746 /nfs/dbraw/zinc/54/47/46/356544746.db2.gz SZUPGWLLYQZDPI-LLVKDONJSA-N 2 1 227.283 0.369 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000429492916 192288303 /nfs/dbraw/zinc/28/83/03/192288303.db2.gz PWZKAZQEIWAKEA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[C@](C)([NH2+]CCc1c[nH+]cn1C)C(N)=O ZINC000639643441 356556314 /nfs/dbraw/zinc/55/63/14/356556314.db2.gz IELDZQIFVQJSGV-LBPRGKRZSA-N 2 1 238.335 0.452 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000630092168 363514636 /nfs/dbraw/zinc/51/46/36/363514636.db2.gz QUYJQCZJAVGCBA-WDEREUQCSA-N 2 1 236.319 0.448 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422970008 192531078 /nfs/dbraw/zinc/53/10/78/192531078.db2.gz DWMKCESLFHXIGC-UPJWGTAASA-N 2 1 244.379 0.750 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756289 356660668 /nfs/dbraw/zinc/66/06/68/356660668.db2.gz UUUMBDJAMVJGJF-GFCCVEGCSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756290 356660782 /nfs/dbraw/zinc/66/07/82/356660782.db2.gz UUUMBDJAMVJGJF-LBPRGKRZSA-N 2 1 242.363 0.411 20 0 BCADMP C([C@@H]1CCCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287485 356654706 /nfs/dbraw/zinc/65/47/06/356654706.db2.gz KMTXAAMTLRHZFX-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757569 356663981 /nfs/dbraw/zinc/66/39/81/356663981.db2.gz HYAPWXNNPUAVNO-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC000639757697 356664019 /nfs/dbraw/zinc/66/40/19/356664019.db2.gz OONBLVLJOVJVGH-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CC(C)[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761937 356680489 /nfs/dbraw/zinc/68/04/89/356680489.db2.gz IBGZQFRUPZSOOE-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761937 356680493 /nfs/dbraw/zinc/68/04/93/356680493.db2.gz IBGZQFRUPZSOOE-CHWSQXEVSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761710 356679209 /nfs/dbraw/zinc/67/92/09/356679209.db2.gz DIXZLTBQRNAWLZ-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CCC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761710 356679211 /nfs/dbraw/zinc/67/92/11/356679211.db2.gz DIXZLTBQRNAWLZ-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@H](O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761861 356679223 /nfs/dbraw/zinc/67/92/23/356679223.db2.gz FMTAQFZVIKYROW-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CCC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761716 356679835 /nfs/dbraw/zinc/67/98/35/356679835.db2.gz DIXZLTBQRNAWLZ-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CCC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761716 356679837 /nfs/dbraw/zinc/67/98/37/356679837.db2.gz DIXZLTBQRNAWLZ-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP COCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764270 356690076 /nfs/dbraw/zinc/69/00/76/356690076.db2.gz ZOKADQJMOUEWEJ-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CN(C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000639764629 356691261 /nfs/dbraw/zinc/69/12/61/356691261.db2.gz HQCQLBDDVCBJEV-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000639764629 356691267 /nfs/dbraw/zinc/69/12/67/356691267.db2.gz HQCQLBDDVCBJEV-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000639764629 356691271 /nfs/dbraw/zinc/69/12/71/356691271.db2.gz HQCQLBDDVCBJEV-STQMWFEESA-N 2 1 242.363 0.554 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000179981275 366345719 /nfs/dbraw/zinc/34/57/19/366345719.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000179981275 366345727 /nfs/dbraw/zinc/34/57/27/366345727.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000179981275 366345736 /nfs/dbraw/zinc/34/57/36/366345736.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP COC(=O)C1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000450399702 202154651 /nfs/dbraw/zinc/15/46/51/202154651.db2.gz DNPAXAOWQWTHDT-NSHDSACASA-N 2 1 240.347 0.823 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335626 356721499 /nfs/dbraw/zinc/72/14/99/356721499.db2.gz WCSXWLPRYVEPJA-VHSXEESVSA-N 2 1 200.326 0.830 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)O ZINC000578186551 366371044 /nfs/dbraw/zinc/37/10/44/366371044.db2.gz YASLWDIDZOUMPR-WDEREUQCSA-N 2 1 218.341 0.314 20 0 BCADMP CC[N@H+]1C[C@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193713 366379949 /nfs/dbraw/zinc/37/99/49/366379949.db2.gz KRWWQJQZISOVAA-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@H](C)[N@H+](CCOCC[NH3+])C[C@H]1C ZINC000578193713 366379955 /nfs/dbraw/zinc/37/99/55/366379955.db2.gz KRWWQJQZISOVAA-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@H](C)[N@@H+](CCOCC[NH3+])C[C@H]1C ZINC000578193713 366379962 /nfs/dbraw/zinc/37/99/62/366379962.db2.gz KRWWQJQZISOVAA-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1(C)C ZINC000623351092 356773521 /nfs/dbraw/zinc/77/35/21/356773521.db2.gz ARAUMAYLQBIVDP-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1(C)C ZINC000623351092 356773524 /nfs/dbraw/zinc/77/35/24/356773524.db2.gz ARAUMAYLQBIVDP-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2CC2)CC1(C)C ZINC000623351091 356773868 /nfs/dbraw/zinc/77/38/68/356773868.db2.gz ARAUMAYLQBIVDP-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2CC2)CC1(C)C ZINC000623351091 356773870 /nfs/dbraw/zinc/77/38/70/356773870.db2.gz ARAUMAYLQBIVDP-LLVKDONJSA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000130437216 325051932 /nfs/dbraw/zinc/05/19/32/325051932.db2.gz XBWBOKJLOHRMNC-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)CC1(C)C ZINC000623361154 356807264 /nfs/dbraw/zinc/80/72/64/356807264.db2.gz PHRIIEUQVVBSQY-JTQLQIEISA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1(C)C ZINC000623386192 356913539 /nfs/dbraw/zinc/91/35/39/356913539.db2.gz NBWZIGLKOLCBBT-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1(C)C ZINC000623386192 356913540 /nfs/dbraw/zinc/91/35/40/356913540.db2.gz NBWZIGLKOLCBBT-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378115 356900201 /nfs/dbraw/zinc/90/02/01/356900201.db2.gz TUZWWZITQNURJP-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@H](CO)C1 ZINC000639872515 357043657 /nfs/dbraw/zinc/04/36/57/357043657.db2.gz QYUQYACYROWDAX-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@H](CO)C1 ZINC000639872515 357043658 /nfs/dbraw/zinc/04/36/58/357043658.db2.gz QYUQYACYROWDAX-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)CN(C)CC ZINC000389675042 357013462 /nfs/dbraw/zinc/01/34/62/357013462.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCC[N@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000389675042 357013473 /nfs/dbraw/zinc/01/34/73/357013473.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000389675042 357013474 /nfs/dbraw/zinc/01/34/74/357013474.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@H+](C)CC ZINC000389675042 357013478 /nfs/dbraw/zinc/01/34/78/357013478.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@@H+](C)CC ZINC000389675042 357013480 /nfs/dbraw/zinc/01/34/80/357013480.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CCCOC ZINC000389707643 357017693 /nfs/dbraw/zinc/01/76/93/357017693.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@H+](C)C[C@@H](O)CN(C)CCCOC ZINC000389707643 357017696 /nfs/dbraw/zinc/01/76/96/357017696.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCCOC ZINC000389707643 357017700 /nfs/dbraw/zinc/01/77/00/357017700.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCOC ZINC000389707643 357017703 /nfs/dbraw/zinc/01/77/03/357017703.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCOC ZINC000389707643 357017708 /nfs/dbraw/zinc/01/77/08/357017708.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCOC ZINC000389707643 357017710 /nfs/dbraw/zinc/01/77/10/357017710.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCOC ZINC000389707643 357017716 /nfs/dbraw/zinc/01/77/16/357017716.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000582425714 357145570 /nfs/dbraw/zinc/14/55/70/357145570.db2.gz KMUJICHECVJQGG-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392812817 357235536 /nfs/dbraw/zinc/23/55/36/357235536.db2.gz JDWWRLSLQSVMNU-UHFFFAOYSA-N 2 1 239.363 0.753 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](OC)C1 ZINC000393887395 357305832 /nfs/dbraw/zinc/30/58/32/357305832.db2.gz VCDZRFXZGJOCHM-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](OC)C1 ZINC000393887395 357305838 /nfs/dbraw/zinc/30/58/38/357305838.db2.gz VCDZRFXZGJOCHM-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000393887395 357305842 /nfs/dbraw/zinc/30/58/42/357305842.db2.gz VCDZRFXZGJOCHM-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000393887395 357305847 /nfs/dbraw/zinc/30/58/47/357305847.db2.gz VCDZRFXZGJOCHM-AVGNSLFASA-N 2 1 244.379 0.656 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000582972639 357448004 /nfs/dbraw/zinc/44/80/04/357448004.db2.gz WFVBKAHQYKTMRD-JTQLQIEISA-N 2 1 247.289 0.183 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188727990 357565935 /nfs/dbraw/zinc/56/59/35/357565935.db2.gz ZKOCBNMMTUKKDH-GARJFASQSA-N 2 1 243.326 0.144 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233426475 357723228 /nfs/dbraw/zinc/72/32/28/357723228.db2.gz HUIPHKONPGQQJK-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233427459 357723365 /nfs/dbraw/zinc/72/33/65/357723365.db2.gz HUIPHKONPGQQJK-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000192105906 357823485 /nfs/dbraw/zinc/82/34/85/357823485.db2.gz WANAKIFZQQNHHY-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168516139 134225510 /nfs/dbraw/zinc/22/55/10/134225510.db2.gz PQUZVNXHGPPKLN-MWLCHTKSSA-N 2 1 222.336 0.898 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192471707 357835916 /nfs/dbraw/zinc/83/59/16/357835916.db2.gz DJJWMVKAPKKQIM-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP Cn1cncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000085170873 134224701 /nfs/dbraw/zinc/22/47/01/134224701.db2.gz ZFKXWZREBMTGPR-LLVKDONJSA-N 2 1 222.336 0.981 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398526117 357887379 /nfs/dbraw/zinc/88/73/79/357887379.db2.gz VPTSGEPKCSYDEL-NEPJUHHUSA-N 2 1 232.368 0.296 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398526129 357887512 /nfs/dbraw/zinc/88/75/12/357887512.db2.gz VPTSGEPKCSYDEL-RYUDHWBXSA-N 2 1 232.368 0.296 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398953654 357892022 /nfs/dbraw/zinc/89/20/22/357892022.db2.gz AMXOABIZZOZHGE-NSHDSACASA-N 2 1 236.319 0.435 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000220124589 358018953 /nfs/dbraw/zinc/01/89/53/358018953.db2.gz BHLNYYIYLIYNEH-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CO[C@H]1CN(Cc2cncn2C)[C@](C)(CO)C1 ZINC000640003393 358046382 /nfs/dbraw/zinc/04/63/82/358046382.db2.gz OCUPHRQEUMELDP-NEPJUHHUSA-N 2 1 239.319 0.392 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000584537397 358048407 /nfs/dbraw/zinc/04/84/07/358048407.db2.gz CXPGLCHGYVRDFQ-MNOVXSKESA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220861527 358055471 /nfs/dbraw/zinc/05/54/71/358055471.db2.gz JWRVXONYFBGRIC-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555225 134248509 /nfs/dbraw/zinc/24/85/09/134248509.db2.gz BSWXODMJASWRNM-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555225 134248510 /nfs/dbraw/zinc/24/85/10/134248510.db2.gz BSWXODMJASWRNM-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037477009 358071224 /nfs/dbraw/zinc/07/12/24/358071224.db2.gz VYGGCHDESUDHGN-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484152 358073137 /nfs/dbraw/zinc/07/31/37/358073137.db2.gz OEAOTKUABHNFFP-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555993 134248145 /nfs/dbraw/zinc/24/81/45/134248145.db2.gz BGOUGRJEWZWRTF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555993 134248146 /nfs/dbraw/zinc/24/81/46/134248146.db2.gz BGOUGRJEWZWRTF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP O=C(CC[NH2+]C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000037827049 358095205 /nfs/dbraw/zinc/09/52/05/358095205.db2.gz NWUIBAHXWHTTBJ-UHFFFAOYSA-N 2 1 237.347 0.435 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1cncn1 ZINC000583874754 358093979 /nfs/dbraw/zinc/09/39/79/358093979.db2.gz IAFYDLJCIGTLJL-GMTAPVOTSA-N 2 1 223.324 0.254 20 0 BCADMP Cn1cc([C@H](CO)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000584665236 358125879 /nfs/dbraw/zinc/12/58/79/358125879.db2.gz FNQWTJSUMOPRIA-UTUOFQBUSA-N 2 1 238.335 0.313 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CC)C1 ZINC000640035045 358127794 /nfs/dbraw/zinc/12/77/94/358127794.db2.gz FRUOYVSDDPOEJM-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CC)C1 ZINC000640035045 358127797 /nfs/dbraw/zinc/12/77/97/358127797.db2.gz FRUOYVSDDPOEJM-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640035045 358127800 /nfs/dbraw/zinc/12/78/00/358127800.db2.gz FRUOYVSDDPOEJM-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640035045 358127802 /nfs/dbraw/zinc/12/78/02/358127802.db2.gz FRUOYVSDDPOEJM-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CC)C1 ZINC000640035042 358127876 /nfs/dbraw/zinc/12/78/76/358127876.db2.gz FRUOYVSDDPOEJM-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CC)C1 ZINC000640035042 358127878 /nfs/dbraw/zinc/12/78/78/358127878.db2.gz FRUOYVSDDPOEJM-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640035042 358127880 /nfs/dbraw/zinc/12/78/80/358127880.db2.gz FRUOYVSDDPOEJM-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(CC)C1 ZINC000640035042 358127882 /nfs/dbraw/zinc/12/78/82/358127882.db2.gz FRUOYVSDDPOEJM-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000086068374 358208509 /nfs/dbraw/zinc/20/85/09/358208509.db2.gz UVGQOIGIFNNDDD-QWRGUYRKSA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOC)C1 ZINC000040601615 358243163 /nfs/dbraw/zinc/24/31/63/358243163.db2.gz QSLHTWOJBKYTIH-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000226510825 358341187 /nfs/dbraw/zinc/34/11/87/358341187.db2.gz REWUSLOFFSBSFZ-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000219112212 134274772 /nfs/dbraw/zinc/27/47/72/134274772.db2.gz UPZXAUQVAHOLQQ-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000219112212 134274773 /nfs/dbraw/zinc/27/47/73/134274773.db2.gz UPZXAUQVAHOLQQ-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CC[N@@H+](CC(=O)N1CC([NH+](C)C)C1)C1CC1 ZINC000134923330 325382987 /nfs/dbraw/zinc/38/29/87/325382987.db2.gz XBMOLWOOIQXDHZ-UHFFFAOYSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538757 358390094 /nfs/dbraw/zinc/39/00/94/358390094.db2.gz BHEGQTSVIRLPLG-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539014 358391065 /nfs/dbraw/zinc/39/10/65/358391065.db2.gz VSGTXUYRTWDVAS-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726830 358392559 /nfs/dbraw/zinc/39/25/59/358392559.db2.gz HIAKJRCWKUSBOS-JTQLQIEISA-N 2 1 223.320 0.091 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726821 358552871 /nfs/dbraw/zinc/55/28/71/358552871.db2.gz VIUWAHVYCOLJPD-KOLCDFICSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH2+]CC1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000131832359 358696301 /nfs/dbraw/zinc/69/63/01/358696301.db2.gz LTOIDGWXYMDEQQ-JTQLQIEISA-N 2 1 243.376 0.107 20 0 BCADMP COC(=O)[C@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000050068896 358712496 /nfs/dbraw/zinc/71/24/96/358712496.db2.gz SPLVXLXUQNLBEO-SNVBAGLBSA-N 2 1 239.319 0.932 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000050068896 358712497 /nfs/dbraw/zinc/71/24/97/358712497.db2.gz SPLVXLXUQNLBEO-SNVBAGLBSA-N 2 1 239.319 0.932 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132910653 358739695 /nfs/dbraw/zinc/73/96/95/358739695.db2.gz VVJQTHGYTYXNMY-WDEREUQCSA-N 2 1 225.336 0.468 20 0 BCADMP O[C@H](C[NH2+]C1CSC1)C[NH+]1CCCC1 ZINC000308530393 491136892 /nfs/dbraw/zinc/13/68/92/491136892.db2.gz ZMQBLQLWYXKGPS-SNVBAGLBSA-N 2 1 216.350 0.148 20 0 BCADMP Nc1cc(CSc2nc(N)cc(N)n2)ccn1 ZINC000052756571 358791315 /nfs/dbraw/zinc/79/13/15/358791315.db2.gz QYQKLDZJEYSRRY-UHFFFAOYSA-N 2 1 248.315 0.911 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000219864388 134292091 /nfs/dbraw/zinc/29/20/91/134292091.db2.gz NHBJQKOLQYMOQP-VIFPVBQESA-N 2 1 223.324 0.374 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000516979940 358964892 /nfs/dbraw/zinc/96/48/92/358964892.db2.gz SPJMLRQVTLYJJT-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380732 358932973 /nfs/dbraw/zinc/93/29/73/358932973.db2.gz SQLUEBVYZUPNIM-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000086435743 358977139 /nfs/dbraw/zinc/97/71/39/358977139.db2.gz CEGKMKRMHCBHQH-LBPRGKRZSA-N 2 1 227.352 0.132 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000086435743 358977144 /nfs/dbraw/zinc/97/71/44/358977144.db2.gz CEGKMKRMHCBHQH-LBPRGKRZSA-N 2 1 227.352 0.132 20 0 BCADMP CC(C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000071197140 359074262 /nfs/dbraw/zinc/07/42/62/359074262.db2.gz MKKIGCOBCXVSRC-ZDUSSCGKSA-N 2 1 241.379 0.391 20 0 BCADMP COCC[N@H+](CCC[NH3+])Cc1cccnc1 ZINC000070844092 359065120 /nfs/dbraw/zinc/06/51/20/359065120.db2.gz OWKCJLRFPVDINK-UHFFFAOYSA-N 2 1 223.320 0.879 20 0 BCADMP COCC[N@@H+](CCC[NH3+])Cc1cccnc1 ZINC000070844092 359065123 /nfs/dbraw/zinc/06/51/23/359065123.db2.gz OWKCJLRFPVDINK-UHFFFAOYSA-N 2 1 223.320 0.879 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000423396750 192740161 /nfs/dbraw/zinc/74/01/61/192740161.db2.gz SMDRGMXPLWLSEI-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252611331 359314802 /nfs/dbraw/zinc/31/48/02/359314802.db2.gz VLEHGQDIBFRTEJ-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423782710 192834884 /nfs/dbraw/zinc/83/48/84/192834884.db2.gz ZWRQMBKIDACNDZ-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423782710 192834887 /nfs/dbraw/zinc/83/48/87/192834887.db2.gz ZWRQMBKIDACNDZ-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000578617012 366609057 /nfs/dbraw/zinc/60/90/57/366609057.db2.gz HYOOUIUCQDUYOS-UPJWGTAASA-N 2 1 225.380 0.916 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000578749971 366637553 /nfs/dbraw/zinc/63/75/53/366637553.db2.gz UUHSYAIZGIPWTP-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000578877900 366665099 /nfs/dbraw/zinc/66/50/99/366665099.db2.gz KZLOFSLOKUTXAJ-RKDXNWHRSA-N 2 1 249.305 0.475 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868056 366661772 /nfs/dbraw/zinc/66/17/72/366661772.db2.gz OBDSILKYCFJVMO-FRRDWIJNSA-N 2 1 241.379 0.376 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)[C@H](C)C1 ZINC000090848309 360090712 /nfs/dbraw/zinc/09/07/12/360090712.db2.gz MRLOODQJKKJNHW-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)CC1(C)C ZINC000623472948 360197126 /nfs/dbraw/zinc/19/71/26/360197126.db2.gz CGGIZKBNQPCTOX-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000430802805 192892166 /nfs/dbraw/zinc/89/21/66/192892166.db2.gz OFXGRIOYBZKCSS-UTUOFQBUSA-N 2 1 241.379 0.912 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623478366 360433967 /nfs/dbraw/zinc/43/39/67/360433967.db2.gz JGZHPDWSQYRHIY-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+]CCN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000149105979 360615350 /nfs/dbraw/zinc/61/53/50/360615350.db2.gz LSQOVDMITMQRIY-GFCCVEGCSA-N 2 1 227.352 0.132 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO)C1 ZINC000177823621 219869344 /nfs/dbraw/zinc/86/93/44/219869344.db2.gz RGYMKAZHBQKMNT-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000177823621 219869346 /nfs/dbraw/zinc/86/93/46/219869346.db2.gz RGYMKAZHBQKMNT-NSHDSACASA-N 2 1 200.326 0.642 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000629390665 361045737 /nfs/dbraw/zinc/04/57/37/361045737.db2.gz KWCUHDUMOUFVID-QWHCGFSZSA-N 2 1 239.363 0.727 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000629521487 361118016 /nfs/dbraw/zinc/11/80/16/361118016.db2.gz SWSFQNVSVGQOKA-ONGXEEELSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000629521487 361118020 /nfs/dbraw/zinc/11/80/20/361118020.db2.gz SWSFQNVSVGQOKA-ONGXEEELSA-N 2 1 237.351 0.776 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516084 361109854 /nfs/dbraw/zinc/10/98/54/361109854.db2.gz WZVOEYIJJUVGSA-RYUDHWBXSA-N 3 1 241.379 0.615 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccnc1N ZINC000629516500 361114116 /nfs/dbraw/zinc/11/41/16/361114116.db2.gz ILZYWBZVCGVBII-NXEZZACHSA-N 2 1 220.320 0.833 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000629516448 361114348 /nfs/dbraw/zinc/11/43/48/361114348.db2.gz GAIXHRMQGPTNPY-ONGXEEELSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000629516448 361114353 /nfs/dbraw/zinc/11/43/53/361114353.db2.gz GAIXHRMQGPTNPY-ONGXEEELSA-N 2 1 237.351 0.776 20 0 BCADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000361738908 181324774 /nfs/dbraw/zinc/32/47/74/181324774.db2.gz FYOFBDPWYAEAHR-TUAOUCFPSA-N 2 1 249.358 0.420 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629528496 361136918 /nfs/dbraw/zinc/13/69/18/361136918.db2.gz AMYXYVDGDCGVHG-VXGBXAGGSA-N 3 1 229.368 0.295 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000629528496 361136924 /nfs/dbraw/zinc/13/69/24/361136924.db2.gz AMYXYVDGDCGVHG-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528919 361138762 /nfs/dbraw/zinc/13/87/62/361138762.db2.gz MYTDZTBYENLHDG-QWHCGFSZSA-N 3 1 243.395 0.542 20 0 BCADMP CCN1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528919 361138768 /nfs/dbraw/zinc/13/87/68/361138768.db2.gz MYTDZTBYENLHDG-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000629530742 361145782 /nfs/dbraw/zinc/14/57/82/361145782.db2.gz POWKMQUYYMKOMQ-JTQLQIEISA-N 2 1 227.308 0.870 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629525176 361125490 /nfs/dbraw/zinc/12/54/90/361125490.db2.gz YLSQZOOGABVXDW-DBIOUOCHSA-N 2 1 225.336 0.371 20 0 BCADMP O[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208435 361228035 /nfs/dbraw/zinc/22/80/35/361228035.db2.gz BBQYVGNVSJHSCF-QLFBSQMISA-N 2 1 246.354 0.741 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250839052 181327718 /nfs/dbraw/zinc/32/77/18/181327718.db2.gz LNMUOQDCBUWIJD-NXEZZACHSA-N 2 1 223.320 0.221 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210736 361260357 /nfs/dbraw/zinc/26/03/57/361260357.db2.gz SASXBBQWEXUWDE-XQQFMLRXSA-N 2 1 242.363 0.171 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210724 361261060 /nfs/dbraw/zinc/26/10/60/361261060.db2.gz SASXBBQWEXUWDE-FRRDWIJNSA-N 2 1 242.363 0.171 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227118 366738250 /nfs/dbraw/zinc/73/82/50/366738250.db2.gz MTZCMGMUJCVCRZ-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000428474420 201021954 /nfs/dbraw/zinc/02/19/54/201021954.db2.gz KIIFKSWXOIPIGK-LBPRGKRZSA-N 2 1 249.314 0.127 20 0 BCADMP C[C@H]([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000622045389 370680228 /nfs/dbraw/zinc/68/02/28/370680228.db2.gz QYOVQNXLTALIMF-SDDRHHMPSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000622045389 370680230 /nfs/dbraw/zinc/68/02/30/370680230.db2.gz QYOVQNXLTALIMF-SDDRHHMPSA-N 3 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000622045389 370680235 /nfs/dbraw/zinc/68/02/35/370680235.db2.gz QYOVQNXLTALIMF-SDDRHHMPSA-N 3 1 211.353 0.940 20 0 BCADMP COC[C@H](C)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000579238781 366741730 /nfs/dbraw/zinc/74/17/30/366741730.db2.gz WWVDPJYENQNJQE-MNOVXSKESA-N 2 1 218.316 0.902 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000428728239 201037796 /nfs/dbraw/zinc/03/77/96/201037796.db2.gz KDMDZHYVYMECPY-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950101 201051118 /nfs/dbraw/zinc/05/11/18/201051118.db2.gz DDVVLYLHULQPSB-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000428978117 201054403 /nfs/dbraw/zinc/05/44/03/201054403.db2.gz NLMLVSYQMKALSZ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429033365 201062077 /nfs/dbraw/zinc/06/20/77/201062077.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429033365 201062080 /nfs/dbraw/zinc/06/20/80/201062080.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429033365 201062082 /nfs/dbraw/zinc/06/20/82/201062082.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH2+]C1 ZINC000429098062 201066303 /nfs/dbraw/zinc/06/63/03/201066303.db2.gz JPNOUEIKMQSVIF-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000429239278 201082469 /nfs/dbraw/zinc/08/24/69/201082469.db2.gz QARCOXUGWXDQCW-GFCCVEGCSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000429239280 201084020 /nfs/dbraw/zinc/08/40/20/201084020.db2.gz QARCOXUGWXDQCW-LBPRGKRZSA-N 2 1 227.352 0.572 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265880 201084847 /nfs/dbraw/zinc/08/48/47/201084847.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265880 201084850 /nfs/dbraw/zinc/08/48/50/201084850.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265880 201084851 /nfs/dbraw/zinc/08/48/51/201084851.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265880 201084853 /nfs/dbraw/zinc/08/48/53/201084853.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265880 201084855 /nfs/dbraw/zinc/08/48/55/201084855.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265880 201084858 /nfs/dbraw/zinc/08/48/58/201084858.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265880 201084861 /nfs/dbraw/zinc/08/48/61/201084861.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429408926 201106890 /nfs/dbraw/zinc/10/68/90/201106890.db2.gz XEGFCLBIKJLNAV-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000429360725 201104051 /nfs/dbraw/zinc/10/40/51/201104051.db2.gz BMUNKMZQGMDPIL-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808869 201133000 /nfs/dbraw/zinc/13/30/00/201133000.db2.gz NHHTVXKWICQNAL-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808869 201133004 /nfs/dbraw/zinc/13/30/04/201133004.db2.gz NHHTVXKWICQNAL-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808869 201133008 /nfs/dbraw/zinc/13/30/08/201133008.db2.gz NHHTVXKWICQNAL-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)C[NH2+]1 ZINC000629534984 361408976 /nfs/dbraw/zinc/40/89/76/361408976.db2.gz BJIDHDBZRKWUIE-OUAUKWLOSA-N 2 1 239.363 0.774 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629544723 361423231 /nfs/dbraw/zinc/42/32/31/361423231.db2.gz KMLIQQBINDZTAG-JHJVBQTASA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544723 361423235 /nfs/dbraw/zinc/42/32/35/361423235.db2.gz KMLIQQBINDZTAG-JHJVBQTASA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544734 361424237 /nfs/dbraw/zinc/42/42/37/361424237.db2.gz KMLIQQBINDZTAG-UPJWGTAASA-N 2 1 241.379 0.160 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544986 361424346 /nfs/dbraw/zinc/42/43/46/361424346.db2.gz OTPDZBWQMNYWQN-HBNTYKKESA-N 2 1 223.324 0.397 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544736 361424806 /nfs/dbraw/zinc/42/48/06/361424806.db2.gz KMLIQQBINDZTAG-YNEHKIRRSA-N 2 1 241.379 0.160 20 0 BCADMP O=C1[C@H]([NH2+]C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000629556549 361450333 /nfs/dbraw/zinc/45/03/33/361450333.db2.gz SBRIBOGTHRQKCH-GFCCVEGCSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnn(C)c1 ZINC000629571599 361463135 /nfs/dbraw/zinc/46/31/35/361463135.db2.gz YFAMPTXAVSDJIX-UHFFFAOYSA-N 2 1 226.324 0.088 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000629571857 361463807 /nfs/dbraw/zinc/46/38/07/361463807.db2.gz KOFJLWJJSLUXGG-LBPRGKRZSA-N 3 1 229.368 0.154 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCO[C@@H]1CC1(F)F ZINC000629580688 361469172 /nfs/dbraw/zinc/46/91/72/361469172.db2.gz DNZBKXBICLPYTH-SECBINFHSA-N 2 1 238.278 0.318 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430940646 201160217 /nfs/dbraw/zinc/16/02/17/201160217.db2.gz QELDXBAKVMEJLI-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCn1cccn1)C2 ZINC000629585313 361474485 /nfs/dbraw/zinc/47/44/85/361474485.db2.gz RARVNGUNMDVRFI-BETUJISGSA-N 2 1 234.347 0.815 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCn1cccn1)C2 ZINC000629585313 361474487 /nfs/dbraw/zinc/47/44/87/361474487.db2.gz RARVNGUNMDVRFI-BETUJISGSA-N 2 1 234.347 0.815 20 0 BCADMP CC[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+](C)C ZINC000629612784 361499171 /nfs/dbraw/zinc/49/91/71/361499171.db2.gz HOSPDXQRSVPEDG-JQWIXIFHSA-N 2 1 245.342 0.487 20 0 BCADMP COCCNCC[NH2+]Cc1ccn(C)c1 ZINC000629647706 361537464 /nfs/dbraw/zinc/53/74/64/361537464.db2.gz GAHSFSSWZYMJBZ-UHFFFAOYSA-N 2 1 211.309 0.351 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccn(C)c1 ZINC000629654296 361554275 /nfs/dbraw/zinc/55/42/75/361554275.db2.gz PFLYEDPSDOSFOS-UHFFFAOYSA-N 2 1 225.336 0.693 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629661843 361594355 /nfs/dbraw/zinc/59/43/55/361594355.db2.gz CWMAJGDIYDFEHF-CMPLNLGQSA-N 2 1 212.337 0.818 20 0 BCADMP CC(C)C[C@@H]([NH3+])CNCCOCCC[NH3+] ZINC000629681829 361603116 /nfs/dbraw/zinc/60/31/16/361603116.db2.gz VJGKOLAIGURQDE-LLVKDONJSA-N 2 1 217.357 0.315 20 0 BCADMP CC(C)C[C@H]([NH3+])CNCCOCCC[NH3+] ZINC000629681920 361603308 /nfs/dbraw/zinc/60/33/08/361603308.db2.gz VJGKOLAIGURQDE-NSHDSACASA-N 2 1 217.357 0.315 20 0 BCADMP CCOCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000434633628 201230142 /nfs/dbraw/zinc/23/01/42/201230142.db2.gz JWQWENADBWQTBO-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](COCCOC)C1 ZINC000435879689 201291721 /nfs/dbraw/zinc/29/17/21/201291721.db2.gz DVMXEYRQOLZOCE-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP CC[N@H+](CC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626786 201280054 /nfs/dbraw/zinc/28/00/54/201280054.db2.gz POOJHOZVJDIIEJ-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626786 201280057 /nfs/dbraw/zinc/28/00/57/201280057.db2.gz POOJHOZVJDIIEJ-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000435874470 201293050 /nfs/dbraw/zinc/29/30/50/201293050.db2.gz KOURXWYEDGGKSL-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000435879625 201293451 /nfs/dbraw/zinc/29/34/51/201293451.db2.gz DPWWMXARLULBEX-DTWKUNHWSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000435879625 201293453 /nfs/dbraw/zinc/29/34/53/201293453.db2.gz DPWWMXARLULBEX-DTWKUNHWSA-N 2 1 240.269 0.984 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000155685062 201346470 /nfs/dbraw/zinc/34/64/70/201346470.db2.gz RAIPGGPAACBXRA-RYUDHWBXSA-N 2 1 222.336 0.813 20 0 BCADMP [NH3+]CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261990587 181349584 /nfs/dbraw/zinc/34/95/84/181349584.db2.gz OYNXLWVMGKGVBU-NSHDSACASA-N 2 1 237.278 0.257 20 0 BCADMP [NH3+]CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000335624957 181350239 /nfs/dbraw/zinc/35/02/39/181350239.db2.gz YBNMWCKWEMYLBQ-UHFFFAOYSA-N 2 1 205.261 0.082 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000630408396 364140589 /nfs/dbraw/zinc/14/05/89/364140589.db2.gz LMAJITPUFWYTGS-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(C)[nH+]1 ZINC000630552445 364246714 /nfs/dbraw/zinc/24/67/14/364246714.db2.gz ATVWSOGAWHSUTN-UWVGGRQHSA-N 2 1 204.277 0.644 20 0 BCADMP CN(C)c1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000630556105 364251857 /nfs/dbraw/zinc/25/18/57/364251857.db2.gz QFQAGAMQWZXLKZ-AOOOYVTPSA-N 2 1 233.319 0.483 20 0 BCADMP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951102 364279084 /nfs/dbraw/zinc/27/90/84/364279084.db2.gz CALNDIXVCQKWJW-WNYYMSAVSA-N 3 1 211.353 0.986 20 0 BCADMP COCC[C@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000630585346 364291927 /nfs/dbraw/zinc/29/19/27/364291927.db2.gz BTXCEGCJAWLBOA-JTQLQIEISA-N 2 1 247.302 0.569 20 0 BCADMP CC(=O)N1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398981113 364453765 /nfs/dbraw/zinc/45/37/65/364453765.db2.gz FBESHFFWMXHHKH-GWCFXTLKSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000615042719 364411100 /nfs/dbraw/zinc/41/11/00/364411100.db2.gz YIPMTCIXJMZDJL-LLVKDONJSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC[N@H+]1C ZINC000630714838 364489778 /nfs/dbraw/zinc/48/97/78/364489778.db2.gz AZVDJUYMUDXORG-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000615309116 364684390 /nfs/dbraw/zinc/68/43/90/364684390.db2.gz QJQISWSHBAUOTO-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000167476110 364794564 /nfs/dbraw/zinc/79/45/64/364794564.db2.gz LEKYXOVWQBLCON-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167430234 364793142 /nfs/dbraw/zinc/79/31/42/364793142.db2.gz PMGCEXGLUYZSSI-NWDGAFQWSA-N 2 1 214.353 0.933 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000573499390 364848365 /nfs/dbraw/zinc/84/83/65/364848365.db2.gz TYYAWWDWFYKARQ-UTUOFQBUSA-N 3 1 229.368 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000573499390 364848370 /nfs/dbraw/zinc/84/83/70/364848370.db2.gz TYYAWWDWFYKARQ-UTUOFQBUSA-N 3 1 229.368 0.016 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000573449047 364836455 /nfs/dbraw/zinc/83/64/55/364836455.db2.gz MXSMRLVQWLSUGQ-SECBINFHSA-N 2 1 249.305 0.394 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000573449047 364836457 /nfs/dbraw/zinc/83/64/57/364836457.db2.gz MXSMRLVQWLSUGQ-SECBINFHSA-N 2 1 249.305 0.394 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000328383399 364842803 /nfs/dbraw/zinc/84/28/03/364842803.db2.gz HYHBCVXSNATMFZ-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037023863 181372566 /nfs/dbraw/zinc/37/25/66/181372566.db2.gz QWEZVVVHHNEXEP-MNOVXSKESA-N 2 1 225.336 0.468 20 0 BCADMP COC[C@@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000573812977 364922918 /nfs/dbraw/zinc/92/29/18/364922918.db2.gz OXFFEFGPZYJDGK-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000573812977 364922921 /nfs/dbraw/zinc/92/29/21/364922921.db2.gz OXFFEFGPZYJDGK-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000573941568 364952725 /nfs/dbraw/zinc/95/27/25/364952725.db2.gz XBJBTDCHVGGZGF-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000573941568 364952732 /nfs/dbraw/zinc/95/27/32/364952732.db2.gz XBJBTDCHVGGZGF-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000573941568 364952736 /nfs/dbraw/zinc/95/27/36/364952736.db2.gz XBJBTDCHVGGZGF-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000573941568 364952742 /nfs/dbraw/zinc/95/27/42/364952742.db2.gz XBJBTDCHVGGZGF-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP [NH3+]CCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000367966058 181377705 /nfs/dbraw/zinc/37/77/05/181377705.db2.gz XDZHFOMYGNAERF-VXGBXAGGSA-N 2 1 239.363 0.716 20 0 BCADMP CC[NH2+]CC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000574091456 364986053 /nfs/dbraw/zinc/98/60/53/364986053.db2.gz GKHMUXIKKXXGFD-CYBMUJFWSA-N 2 1 243.395 0.278 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000378186301 181394262 /nfs/dbraw/zinc/39/42/62/181394262.db2.gz WKVRWELZNNLKJE-LBPRGKRZSA-N 2 1 248.330 0.121 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000378186301 181394265 /nfs/dbraw/zinc/39/42/65/181394265.db2.gz WKVRWELZNNLKJE-LBPRGKRZSA-N 2 1 248.330 0.121 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000063178422 181394546 /nfs/dbraw/zinc/39/45/46/181394546.db2.gz PTJPROGLSUNLHD-LLVKDONJSA-N 2 1 225.336 0.183 20 0 BCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237931014 181395350 /nfs/dbraw/zinc/39/53/50/181395350.db2.gz DVFFZCHNPXTMHR-CYBMUJFWSA-N 2 1 247.342 0.726 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814159 365150772 /nfs/dbraw/zinc/15/07/72/365150772.db2.gz CBJPBOVODMKQRT-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814159 365150778 /nfs/dbraw/zinc/15/07/78/365150778.db2.gz CBJPBOVODMKQRT-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+](C)C ZINC000443214384 193014396 /nfs/dbraw/zinc/01/43/96/193014396.db2.gz NOEHCUBAOHXFSH-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000171180636 365175482 /nfs/dbraw/zinc/17/54/82/365175482.db2.gz QPSKHDCRFFLJHH-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000171180636 365175484 /nfs/dbraw/zinc/17/54/84/365175484.db2.gz QPSKHDCRFFLJHH-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)CC(F)(F)C[NH3+] ZINC000574766658 365139773 /nfs/dbraw/zinc/13/97/73/365139773.db2.gz VZQANHKQAUXHNY-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000171377965 365193683 /nfs/dbraw/zinc/19/36/83/365193683.db2.gz KZOZWUJURTVQFS-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000171377965 365193688 /nfs/dbraw/zinc/19/36/88/365193688.db2.gz KZOZWUJURTVQFS-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H]2CC[NH2+]2)[nH+]1 ZINC000444182526 193039443 /nfs/dbraw/zinc/03/94/43/193039443.db2.gz MBGZZVNDUWDVEX-SNVBAGLBSA-N 2 1 234.303 0.280 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444172537 193039613 /nfs/dbraw/zinc/03/96/13/193039613.db2.gz BALAATGFDNSKSL-DGCLKSJQSA-N 2 1 248.330 0.307 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183514 193040025 /nfs/dbraw/zinc/04/00/25/193040025.db2.gz NNLWTDPFCFBRDT-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000444180228 193040047 /nfs/dbraw/zinc/04/00/47/193040047.db2.gz HDBWDEWVJIQZOX-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444193456 193041023 /nfs/dbraw/zinc/04/10/23/193041023.db2.gz RELDJENSIIENGC-NQBHXWOUSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000444191663 193041137 /nfs/dbraw/zinc/04/11/37/193041137.db2.gz XVFYDXGVKXAUFX-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444193457 193041305 /nfs/dbraw/zinc/04/13/05/193041305.db2.gz RELDJENSIIENGC-NTZNESFSSA-N 2 1 237.347 0.196 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444257671 193042395 /nfs/dbraw/zinc/04/23/95/193042395.db2.gz FGWJXMZQQVUOBJ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1nc[nH]c1CNC(=O)c1coc(CN)c1 ZINC000444270337 193043463 /nfs/dbraw/zinc/04/34/63/193043463.db2.gz OVFKMTIPTHYJTN-UHFFFAOYSA-N 2 1 234.259 0.700 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CC[NH2+]1 ZINC000444265738 193044132 /nfs/dbraw/zinc/04/41/32/193044132.db2.gz RCRWWVRIJJELOD-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000575194473 365237607 /nfs/dbraw/zinc/23/76/07/365237607.db2.gz IRENFVKOLISRQS-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000575194473 365237609 /nfs/dbraw/zinc/23/76/09/365237609.db2.gz IRENFVKOLISRQS-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000575194473 365237612 /nfs/dbraw/zinc/23/76/12/365237612.db2.gz IRENFVKOLISRQS-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)CC ZINC000379829930 365286240 /nfs/dbraw/zinc/28/62/40/365286240.db2.gz ZQTPPGVRWORYGK-JTQLQIEISA-N 2 1 211.309 0.758 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)CC ZINC000379829930 365286245 /nfs/dbraw/zinc/28/62/45/365286245.db2.gz ZQTPPGVRWORYGK-JTQLQIEISA-N 2 1 211.309 0.758 20 0 BCADMP O=C(CC[NH2+]C1CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000575934093 365420685 /nfs/dbraw/zinc/42/06/85/365420685.db2.gz CNSGZJOPKUWDBZ-VIFPVBQESA-N 2 1 247.289 0.194 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000575916363 365412257 /nfs/dbraw/zinc/41/22/57/365412257.db2.gz DVJQYVFIIZLJGA-SRVKXCTJSA-N 2 1 241.379 0.641 20 0 BCADMP CC1(C(=O)N2CC[NH2+]Cc3ccccc32)C[NH2+]C1 ZINC000576028947 365455453 /nfs/dbraw/zinc/45/54/53/365455453.db2.gz GGNKMUJCSLFUHP-UHFFFAOYSA-N 2 1 245.326 0.732 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602893 366901136 /nfs/dbraw/zinc/90/11/36/366901136.db2.gz XHGMVVNSVTXQRM-NWDGAFQWSA-N 3 1 229.368 0.018 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000576110992 365491166 /nfs/dbraw/zinc/49/11/66/365491166.db2.gz GMBBQGMXLMPIPN-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CC[C@H]1C2)[NH+](C)C ZINC000615562634 541478226 /nfs/dbraw/zinc/47/82/26/541478226.db2.gz KKXRRMZKMIRAGI-RYUDHWBXSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000579709843 366986966 /nfs/dbraw/zinc/98/69/66/366986966.db2.gz KAVGVNHHIWDKRC-ATZCPNFKSA-N 2 1 231.315 0.130 20 0 BCADMP [NH3+]CC1(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000579946911 367096236 /nfs/dbraw/zinc/09/62/36/367096236.db2.gz FXZZVEQVJLRCHT-MRVPVSSYSA-N 2 1 247.289 0.181 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565150891 325862770 /nfs/dbraw/zinc/86/27/70/325862770.db2.gz MLEFNPWOPKTYRY-DTWKUNHWSA-N 2 1 247.289 0.038 20 0 BCADMP COC[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1C ZINC000581007309 367232959 /nfs/dbraw/zinc/23/29/59/367232959.db2.gz LOWCJOODMLFTGJ-LBPRGKRZSA-N 2 1 241.335 0.569 20 0 BCADMP C[C@H]1OCC[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000380547753 367238812 /nfs/dbraw/zinc/23/88/12/367238812.db2.gz XTSFRDXPGWYJQW-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309963 367338492 /nfs/dbraw/zinc/33/84/92/367338492.db2.gz AIDILBIFBIOVTJ-XQQFMLRXSA-N 3 1 225.380 0.916 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000381073519 367347261 /nfs/dbraw/zinc/34/72/61/367347261.db2.gz PAYAUSQXPDNPRO-RYUDHWBXSA-N 2 1 230.352 0.194 20 0 BCADMP CC[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381110708 367352199 /nfs/dbraw/zinc/35/21/99/367352199.db2.gz ZXKGPFATTPSSTN-NWDGAFQWSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381110708 367352203 /nfs/dbraw/zinc/35/22/03/367352203.db2.gz ZXKGPFATTPSSTN-NWDGAFQWSA-N 2 1 230.352 0.192 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH2+]Cc3ccccc32)CC1 ZINC000581185621 367286473 /nfs/dbraw/zinc/28/64/73/367286473.db2.gz DACHFSDAUUUJSR-UHFFFAOYSA-N 2 1 231.299 0.614 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000581190027 367288966 /nfs/dbraw/zinc/28/89/66/367288966.db2.gz PAIFZQHCBKOAJB-OCCSQVGLSA-N 2 1 249.358 0.364 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000381317799 367379604 /nfs/dbraw/zinc/37/96/04/367379604.db2.gz NQSLFPYWRNOUCG-RKDXNWHRSA-N 2 1 231.365 0.283 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000381438773 367405082 /nfs/dbraw/zinc/40/50/82/367405082.db2.gz YPLUTMYGKNYEDY-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000381438773 367405089 /nfs/dbraw/zinc/40/50/89/367405089.db2.gz YPLUTMYGKNYEDY-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000381245580 367370194 /nfs/dbraw/zinc/37/01/94/367370194.db2.gz NCIWFSKTSKEYHD-ZYHUDNBSSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000381245580 367370203 /nfs/dbraw/zinc/37/02/03/367370203.db2.gz NCIWFSKTSKEYHD-ZYHUDNBSSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000382571536 367542264 /nfs/dbraw/zinc/54/22/64/367542264.db2.gz RNDYNHWBRONDMU-YVECIDJPSA-N 2 1 244.379 0.702 20 0 BCADMP CN(Cc1noc(C[NH3+])n1)C[C@@H]1CCC[N@@H+]1C ZINC000382880601 367564877 /nfs/dbraw/zinc/56/48/77/367564877.db2.gz NBXMPJKMDJMNDP-VIFPVBQESA-N 2 1 239.323 0.054 20 0 BCADMP CN(Cc1noc(C[NH3+])n1)C[C@@H]1CCC[N@H+]1C ZINC000382880601 367564881 /nfs/dbraw/zinc/56/48/81/367564881.db2.gz NBXMPJKMDJMNDP-VIFPVBQESA-N 2 1 239.323 0.054 20 0 BCADMP C[C@H]([N@@H+](C)C[C@H](O)CN(C)C1CC1)C(C)(C)O ZINC000382865948 367565051 /nfs/dbraw/zinc/56/50/51/367565051.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865948 367565054 /nfs/dbraw/zinc/56/50/54/367565054.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865948 367565057 /nfs/dbraw/zinc/56/50/57/367565057.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865948 367565059 /nfs/dbraw/zinc/56/50/59/367565059.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000383141373 367601284 /nfs/dbraw/zinc/60/12/84/367601284.db2.gz JXOAGOQXEVHOCN-KOLCDFICSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000383203754 367606810 /nfs/dbraw/zinc/60/68/10/367606810.db2.gz XLWIDRNFXMRHMP-SECBINFHSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000383486957 367627965 /nfs/dbraw/zinc/62/79/65/367627965.db2.gz BSSCMGKQAMDIKM-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000383486957 367627972 /nfs/dbraw/zinc/62/79/72/367627972.db2.gz BSSCMGKQAMDIKM-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000383496665 367629170 /nfs/dbraw/zinc/62/91/70/367629170.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000383496665 367629172 /nfs/dbraw/zinc/62/91/72/367629172.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000383302657 367611699 /nfs/dbraw/zinc/61/16/99/367611699.db2.gz HSQSWZAJXNQQNB-VHSXEESVSA-N 2 1 239.363 0.726 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000383581373 367640659 /nfs/dbraw/zinc/64/06/59/367640659.db2.gz LZWLEWQSYCBGDC-JHJVBQTASA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000383581373 367640664 /nfs/dbraw/zinc/64/06/64/367640664.db2.gz LZWLEWQSYCBGDC-JHJVBQTASA-N 2 1 242.363 0.335 20 0 BCADMP C[C@H](CC[NH+](C)C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383644572 367645770 /nfs/dbraw/zinc/64/57/70/367645770.db2.gz CDKUAMJBUBDWQD-DGCLKSJQSA-N 2 1 243.395 0.371 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1nccn1C ZINC000383661654 367647156 /nfs/dbraw/zinc/64/71/56/367647156.db2.gz GLAVJXNWZCYLAU-LLVKDONJSA-N 2 1 240.351 0.165 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCOCC1 ZINC000383679957 367649142 /nfs/dbraw/zinc/64/91/42/367649142.db2.gz QMTLHARXRNLIQU-DGCLKSJQSA-N 2 1 244.379 0.704 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccco1)C1CC1 ZINC000383786582 367652831 /nfs/dbraw/zinc/65/28/31/367652831.db2.gz QEHUATOZHTVVRH-LBPRGKRZSA-N 2 1 238.331 0.867 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccco1)C1CC1 ZINC000383786582 367652832 /nfs/dbraw/zinc/65/28/32/367652832.db2.gz QEHUATOZHTVVRH-LBPRGKRZSA-N 2 1 238.331 0.867 20 0 BCADMP CSC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000566108664 325996423 /nfs/dbraw/zinc/99/64/23/325996423.db2.gz XORSYDCXTFSDFX-JTQLQIEISA-N 2 1 218.366 0.394 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000384781567 367731094 /nfs/dbraw/zinc/73/10/94/367731094.db2.gz CEAOVYXCZMRNTM-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000384832571 367738637 /nfs/dbraw/zinc/73/86/37/367738637.db2.gz LMRRWFBRNSNWKV-MXWKQRLJSA-N 2 1 223.320 0.091 20 0 BCADMP CN(C(=O)CCCC[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000566193870 326010082 /nfs/dbraw/zinc/01/00/82/326010082.db2.gz OBYVCLTZLFMZIM-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386140096 367919705 /nfs/dbraw/zinc/91/97/05/367919705.db2.gz QHYQETVYYBALEO-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386533418 367987850 /nfs/dbraw/zinc/98/78/50/367987850.db2.gz BBPWGTOLLKOWKM-QJPTWQEYSA-N 2 1 230.352 0.504 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620886 368003797 /nfs/dbraw/zinc/00/37/97/368003797.db2.gz YEFAKYWGYIPQPM-QJPTWQEYSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]1CC[N@H+](CCNC(=O)c2c[nH+]ccc2N)C1 ZINC000582006114 368128030 /nfs/dbraw/zinc/12/80/30/368128030.db2.gz ZZSGRKYLOLJNQO-JTQLQIEISA-N 2 1 248.330 0.566 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)c2c[nH+]ccc2N)C1 ZINC000582006114 368128035 /nfs/dbraw/zinc/12/80/35/368128035.db2.gz ZZSGRKYLOLJNQO-JTQLQIEISA-N 2 1 248.330 0.566 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505586 368081011 /nfs/dbraw/zinc/08/10/11/368081011.db2.gz HEMOUONEDYQSBL-LLVKDONJSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000615510878 368085067 /nfs/dbraw/zinc/08/50/67/368085067.db2.gz YWSCFMWBRYOLNU-LLVKDONJSA-N 2 1 225.336 0.101 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@H](O)COC(C)C)CC1 ZINC000387423776 368178455 /nfs/dbraw/zinc/17/84/55/368178455.db2.gz OQHAROCBKKCXFG-ZDUSSCGKSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000582010404 368149543 /nfs/dbraw/zinc/14/95/43/368149543.db2.gz YRXGGMJSUYBWBG-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000582010404 368149547 /nfs/dbraw/zinc/14/95/47/368149547.db2.gz YRXGGMJSUYBWBG-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])C1(C[NH3+])CCC1 ZINC000566685971 326074422 /nfs/dbraw/zinc/07/44/22/326074422.db2.gz VGOWTDTXALNSNK-UHFFFAOYSA-N 2 1 235.278 0.310 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000063583349 368589901 /nfs/dbraw/zinc/58/99/01/368589901.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)C1CC1 ZINC000063583349 368589905 /nfs/dbraw/zinc/58/99/05/368589905.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000063583349 368589909 /nfs/dbraw/zinc/58/99/09/368589909.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC1CCOCC1 ZINC000082544618 368692474 /nfs/dbraw/zinc/69/24/74/368692474.db2.gz FNMNBJALGQNRFS-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000067573045 368692501 /nfs/dbraw/zinc/69/25/01/368692501.db2.gz NEIUSYBVYHLWGQ-SNVBAGLBSA-N 2 1 215.341 0.393 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457214695 203020827 /nfs/dbraw/zinc/02/08/27/203020827.db2.gz XLFYEFGBTSGPOV-UHFFFAOYSA-N 2 1 229.368 0.783 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243853 203026106 /nfs/dbraw/zinc/02/61/06/203026106.db2.gz QFAYUCDZIDZHJW-QWRGUYRKSA-N 2 1 241.379 0.641 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631830674 369008993 /nfs/dbraw/zinc/00/89/93/369008993.db2.gz YRLHLTNPCAAXGM-RYUDHWBXSA-N 2 1 230.352 0.579 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000631830673 369009392 /nfs/dbraw/zinc/00/93/92/369009392.db2.gz YRLHLTNPCAAXGM-NWDGAFQWSA-N 2 1 230.352 0.579 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825301 368988522 /nfs/dbraw/zinc/98/85/22/368988522.db2.gz DZPRXPICUOHDDU-VXGBXAGGSA-N 2 1 249.362 0.826 20 0 BCADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838807 369121793 /nfs/dbraw/zinc/12/17/93/369121793.db2.gz VMWGJAGQEDUCEM-WCQYABFASA-N 3 1 225.380 0.903 20 0 BCADMP COC(=O)C[C@H]1CSCC[N@@H+]1CCC[NH3+] ZINC000567451573 326194698 /nfs/dbraw/zinc/19/46/98/326194698.db2.gz MHQSEXMYOXLKAO-VIFPVBQESA-N 2 1 232.349 0.316 20 0 BCADMP COC(=O)C[C@H]1CSCC[N@H+]1CCC[NH3+] ZINC000567451573 326194701 /nfs/dbraw/zinc/19/47/01/326194701.db2.gz MHQSEXMYOXLKAO-VIFPVBQESA-N 2 1 232.349 0.316 20 0 BCADMP CC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000458010179 203126892 /nfs/dbraw/zinc/12/68/92/203126892.db2.gz HTAHPJTUFJDHHR-JTQLQIEISA-N 2 1 230.356 0.187 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843092 369373117 /nfs/dbraw/zinc/37/31/17/369373117.db2.gz JFYGWRKMVIXDPI-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843092 369373119 /nfs/dbraw/zinc/37/31/19/369373119.db2.gz JFYGWRKMVIXDPI-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843366 369374447 /nfs/dbraw/zinc/37/44/47/369374447.db2.gz MVVCZWBBKKFDMO-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843366 369374449 /nfs/dbraw/zinc/37/44/49/369374449.db2.gz MVVCZWBBKKFDMO-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459637198 203326379 /nfs/dbraw/zinc/32/63/79/203326379.db2.gz RVQXKAQWPCNBCJ-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459637198 203326383 /nfs/dbraw/zinc/32/63/83/203326383.db2.gz RVQXKAQWPCNBCJ-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CCC[NH+]1CCOCC1 ZINC000631860898 369470214 /nfs/dbraw/zinc/47/02/14/369470214.db2.gz RGPDRWNOHPSEHN-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000259913058 370952577 /nfs/dbraw/zinc/95/25/77/370952577.db2.gz GODONDJBEMPMLO-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP CC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251853876 369977734 /nfs/dbraw/zinc/97/77/34/369977734.db2.gz NJOQADPZXQXZSN-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000620774684 370000511 /nfs/dbraw/zinc/00/05/11/370000511.db2.gz IGICWTGVCMLHAV-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620774684 370000512 /nfs/dbraw/zinc/00/05/12/370000512.db2.gz IGICWTGVCMLHAV-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000620774684 370000517 /nfs/dbraw/zinc/00/05/17/370000517.db2.gz IGICWTGVCMLHAV-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697293 370116816 /nfs/dbraw/zinc/11/68/16/370116816.db2.gz GNFUOPHEYSOGOD-BBBLOLIVSA-N 2 1 225.336 0.323 20 0 BCADMP [NH3+]Cc1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC000621246190 370180301 /nfs/dbraw/zinc/18/03/01/370180301.db2.gz PWBBOVVOPMHYMY-MRVPVSSYSA-N 2 1 210.281 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252881803 370138047 /nfs/dbraw/zinc/13/80/47/370138047.db2.gz YZAWMINZWHBKMT-FIQHERPVSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621693577 370440016 /nfs/dbraw/zinc/44/00/16/370440016.db2.gz YDWKPPNDACBFIF-WCQYABFASA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)C2)CC1 ZINC000621742289 370502538 /nfs/dbraw/zinc/50/25/38/370502538.db2.gz MOMNPOWVTWQLRN-CYBMUJFWSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCN(C[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776610 370519855 /nfs/dbraw/zinc/51/98/55/370519855.db2.gz PXQGUVUVJBUFJI-NSHDSACASA-N 2 1 211.353 0.622 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784520 370538210 /nfs/dbraw/zinc/53/82/10/370538210.db2.gz QCKVXAZXQOHHMJ-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784520 370538214 /nfs/dbraw/zinc/53/82/14/370538214.db2.gz QCKVXAZXQOHHMJ-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](O)CC ZINC000313115365 370568449 /nfs/dbraw/zinc/56/84/49/370568449.db2.gz PRVOQQKMOLFPLU-XQQFMLRXSA-N 2 1 244.379 0.581 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](O)CC ZINC000313115365 370568451 /nfs/dbraw/zinc/56/84/51/370568451.db2.gz PRVOQQKMOLFPLU-XQQFMLRXSA-N 2 1 244.379 0.581 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000569230409 326395372 /nfs/dbraw/zinc/39/53/72/326395372.db2.gz WNBNJEXCSGXQDN-RHYQMDGZSA-N 2 1 241.379 0.768 20 0 BCADMP [NH3+]CC[C@@H]1CCCCN1Cc1noc(C[NH3+])n1 ZINC000569221447 326395541 /nfs/dbraw/zinc/39/55/41/326395541.db2.gz ITOWXRTUASCRLM-VIFPVBQESA-N 2 1 239.323 0.232 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]21 ZINC000125293421 181586285 /nfs/dbraw/zinc/58/62/85/181586285.db2.gz BMIGAZJTNRHFAK-ZMLRMANQSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000624131807 371333735 /nfs/dbraw/zinc/33/37/35/371333735.db2.gz ZLSMRIMDKKTLFK-NAKRPEOUSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000624131807 371333739 /nfs/dbraw/zinc/33/37/39/371333739.db2.gz ZLSMRIMDKKTLFK-NAKRPEOUSA-N 2 1 225.336 0.323 20 0 BCADMP CC[NH+]1CCC(NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000624333069 371485368 /nfs/dbraw/zinc/48/53/68/371485368.db2.gz HZNICBXPJFLAOD-ZDUSSCGKSA-N 2 1 241.379 0.127 20 0 BCADMP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000171189648 372422190 /nfs/dbraw/zinc/42/21/90/372422190.db2.gz HTNSMSOZLZPUPD-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000171189648 372422196 /nfs/dbraw/zinc/42/21/96/372422196.db2.gz HTNSMSOZLZPUPD-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[NH+](C)C ZINC000171179428 372420758 /nfs/dbraw/zinc/42/07/58/372420758.db2.gz MDGBCRGMABBNML-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000631823485 372600591 /nfs/dbraw/zinc/60/05/91/372600591.db2.gz FRPYSFNQNFVJGD-HBNTYKKESA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000631823485 372600596 /nfs/dbraw/zinc/60/05/96/372600596.db2.gz FRPYSFNQNFVJGD-HBNTYKKESA-N 2 1 214.309 0.071 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821147 372595355 /nfs/dbraw/zinc/59/53/55/372595355.db2.gz QHQIJVNBDSIJPD-RYUDHWBXSA-N 2 1 249.362 0.697 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631826764 372606332 /nfs/dbraw/zinc/60/63/32/372606332.db2.gz WLMTWVDUCFWYTH-RYUDHWBXSA-N 2 1 249.362 0.969 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827789 372607836 /nfs/dbraw/zinc/60/78/36/372607836.db2.gz WTMVAZRVPALQRV-HNCHTBHHSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837289 372626797 /nfs/dbraw/zinc/62/67/97/372626797.db2.gz AAIDUHQJIJKGKS-GXSJLCMTSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@H]1C[N@@H+](CC2(O)CCOCC2)C[C@H]1C[NH3+] ZINC000631837893 372628542 /nfs/dbraw/zinc/62/85/42/372628542.db2.gz XXIVNYINFMNQIX-WDEREUQCSA-N 2 1 228.336 0.055 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840234 372636338 /nfs/dbraw/zinc/63/63/38/372636338.db2.gz AYZJHZQQONHPHK-NOOOWODRSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000631840290 372636762 /nfs/dbraw/zinc/63/67/62/372636762.db2.gz REYRZSSPYIITMK-ZYHUDNBSSA-N 2 1 239.363 0.429 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000631840290 372636766 /nfs/dbraw/zinc/63/67/66/372636766.db2.gz REYRZSSPYIITMK-ZYHUDNBSSA-N 2 1 239.363 0.429 20 0 BCADMP CC(C)OCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864763 372666624 /nfs/dbraw/zinc/66/66/24/372666624.db2.gz UVNCNEBUCJSJQU-UHFFFAOYSA-N 2 1 244.379 0.848 20 0 BCADMP O=C(NCCC[NH+]1CCCC1)[C@H]1CSC[NH2+]1 ZINC000037467338 182167016 /nfs/dbraw/zinc/16/70/16/182167016.db2.gz SYLZYCCMFDIFSN-SNVBAGLBSA-N 2 1 243.376 0.251 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC[N@H+]1C ZINC000634300587 374126800 /nfs/dbraw/zinc/12/68/00/374126800.db2.gz DPRRGHVHPICGGY-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300635 374127057 /nfs/dbraw/zinc/12/70/57/374127057.db2.gz FZPOEWIRTZXUAB-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC1([NH3+])CCC1 ZINC000420229816 206024213 /nfs/dbraw/zinc/02/42/13/206024213.db2.gz OJFSNXZEDVIBDN-UHFFFAOYSA-N 2 1 249.314 0.974 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000424129666 206032558 /nfs/dbraw/zinc/03/25/58/206032558.db2.gz GJVGWLNDALQWTP-QCNOEVLYSA-N 2 1 239.363 0.713 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000062113638 182303098 /nfs/dbraw/zinc/30/30/98/182303098.db2.gz YICSXTPPLUNQRY-UTUOFQBUSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000044726737 182303118 /nfs/dbraw/zinc/30/31/18/182303118.db2.gz VGGFKDOFYXBXAQ-PWSUYJOCSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000251425215 182304676 /nfs/dbraw/zinc/30/46/76/182304676.db2.gz STCNJOBUEJXWHN-TUAOUCFPSA-N 2 1 237.347 0.339 20 0 BCADMP CC[N@@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1CC1 ZINC000457208861 206120816 /nfs/dbraw/zinc/12/08/16/206120816.db2.gz OKQVRLGBIWUQAT-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000166639712 206141044 /nfs/dbraw/zinc/14/10/44/206141044.db2.gz BQXPUPNMWWLLJQ-LLVKDONJSA-N 2 1 229.368 0.690 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259148 169005085 /nfs/dbraw/zinc/00/50/85/169005085.db2.gz UMVNSSLEGJTEJY-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259148 169005086 /nfs/dbraw/zinc/00/50/86/169005086.db2.gz UMVNSSLEGJTEJY-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353383232 169068699 /nfs/dbraw/zinc/06/86/99/169068699.db2.gz IVVGOGWKCZXQPM-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000336658141 169070298 /nfs/dbraw/zinc/07/02/98/169070298.db2.gz INWOZIXGKMOGFM-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000228125890 183203341 /nfs/dbraw/zinc/20/33/41/183203341.db2.gz QYUWWSZHDZZYIO-JHJVBQTASA-N 2 1 224.348 0.689 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357290723 169073968 /nfs/dbraw/zinc/07/39/68/169073968.db2.gz DIDGNZGUYHMXLM-NQBHXWOUSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000336684557 169074312 /nfs/dbraw/zinc/07/43/12/169074312.db2.gz SUDHFCSLBZKAEY-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359253594 169076271 /nfs/dbraw/zinc/07/62/71/169076271.db2.gz RVHMMTSUUNQXGE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359253594 169076272 /nfs/dbraw/zinc/07/62/72/169076272.db2.gz RVHMMTSUUNQXGE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359253594 169076276 /nfs/dbraw/zinc/07/62/76/169076276.db2.gz RVHMMTSUUNQXGE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357234623 169077336 /nfs/dbraw/zinc/07/73/36/169077336.db2.gz CCOAGLCFBMBQAR-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC)C1 ZINC000357925962 169077507 /nfs/dbraw/zinc/07/75/07/169077507.db2.gz CYLNAQHLJBZKMD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000357925962 169077509 /nfs/dbraw/zinc/07/75/09/169077509.db2.gz CYLNAQHLJBZKMD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000357925962 169077511 /nfs/dbraw/zinc/07/75/11/169077511.db2.gz CYLNAQHLJBZKMD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353383229 169067158 /nfs/dbraw/zinc/06/71/58/169067158.db2.gz IVVGOGWKCZXQPM-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357066797 169079548 /nfs/dbraw/zinc/07/95/48/169079548.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 2 1 243.395 0.625 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357066797 169079550 /nfs/dbraw/zinc/07/95/50/169079550.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357066797 169079551 /nfs/dbraw/zinc/07/95/51/169079551.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357066797 169079553 /nfs/dbraw/zinc/07/95/53/169079553.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357066797 169079554 /nfs/dbraw/zinc/07/95/54/169079554.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000340292142 169079659 /nfs/dbraw/zinc/07/96/59/169079659.db2.gz RVSCWFVFVDFWCB-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000340292142 169079661 /nfs/dbraw/zinc/07/96/61/169079661.db2.gz RVSCWFVFVDFWCB-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000340292142 169079662 /nfs/dbraw/zinc/07/96/62/169079662.db2.gz RVSCWFVFVDFWCB-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000340292142 169079664 /nfs/dbraw/zinc/07/96/64/169079664.db2.gz RVSCWFVFVDFWCB-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP O[C@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000339778856 183233466 /nfs/dbraw/zinc/23/34/66/183233466.db2.gz QMKLWXOJDQPFQV-NSHDSACASA-N 2 1 209.293 0.730 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000035140073 169189624 /nfs/dbraw/zinc/18/96/24/169189624.db2.gz SOMDOXRMVAXKTR-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000367650109 169193288 /nfs/dbraw/zinc/19/32/88/169193288.db2.gz CATXLAVWBJOPBV-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@H+](CCn3cncn3)C2)n1 ZINC000267414262 183326618 /nfs/dbraw/zinc/32/66/18/183326618.db2.gz IWGQPCPKABPNSW-LLVKDONJSA-N 2 1 246.318 0.881 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000366322557 169193918 /nfs/dbraw/zinc/19/39/18/169193918.db2.gz JJQLLBMCMZEPKR-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508163 169194837 /nfs/dbraw/zinc/19/48/37/169194837.db2.gz OSKSWZHBPYCDCM-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000336775814 169197203 /nfs/dbraw/zinc/19/72/03/169197203.db2.gz CTHCGNUURKXJEL-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000336775814 169197205 /nfs/dbraw/zinc/19/72/05/169197205.db2.gz CTHCGNUURKXJEL-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236765585 169197979 /nfs/dbraw/zinc/19/79/79/169197979.db2.gz QHJDCFCQQPSESD-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125341544 169223736 /nfs/dbraw/zinc/22/37/36/169223736.db2.gz SOHSSUSWUBRXNG-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651015 169206301 /nfs/dbraw/zinc/20/63/01/169206301.db2.gz YEBJHPPRVQWTDQ-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651017 169206772 /nfs/dbraw/zinc/20/67/72/169206772.db2.gz YEBJHPPRVQWTDQ-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037538988 169219557 /nfs/dbraw/zinc/21/95/57/169219557.db2.gz QEOPPUJUCPGWTD-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037538988 169219559 /nfs/dbraw/zinc/21/95/59/169219559.db2.gz QEOPPUJUCPGWTD-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645517 169221171 /nfs/dbraw/zinc/22/11/71/169221171.db2.gz HOCFGBUJMJYYEL-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645517 169221172 /nfs/dbraw/zinc/22/11/72/169221172.db2.gz HOCFGBUJMJYYEL-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250414056 169246318 /nfs/dbraw/zinc/24/63/18/169246318.db2.gz KRYVVQHIKNMSDU-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250414056 169246321 /nfs/dbraw/zinc/24/63/21/169246321.db2.gz KRYVVQHIKNMSDU-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250414050 169246675 /nfs/dbraw/zinc/24/66/75/169246675.db2.gz KRYVVQHIKNMSDU-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250414050 169246677 /nfs/dbraw/zinc/24/66/77/169246677.db2.gz KRYVVQHIKNMSDU-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336644478 169371066 /nfs/dbraw/zinc/37/10/66/169371066.db2.gz AMIXHBSHCXCMDO-GHMZBOCLSA-N 2 1 200.326 0.831 20 0 BCADMP CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336644478 169371067 /nfs/dbraw/zinc/37/10/67/169371067.db2.gz AMIXHBSHCXCMDO-GHMZBOCLSA-N 2 1 200.326 0.831 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815606 134315840 /nfs/dbraw/zinc/31/58/40/134315840.db2.gz HSDPWMBBRFGBOA-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217558799 535459660 /nfs/dbraw/zinc/45/96/60/535459660.db2.gz KDUOHLRORJAKJP-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217558799 535459661 /nfs/dbraw/zinc/45/96/61/535459661.db2.gz KDUOHLRORJAKJP-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401582 134365151 /nfs/dbraw/zinc/36/51/51/134365151.db2.gz VQPMCPYJSVEYOT-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401582 134365152 /nfs/dbraw/zinc/36/51/52/134365152.db2.gz VQPMCPYJSVEYOT-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226877400 134371387 /nfs/dbraw/zinc/37/13/87/134371387.db2.gz JLIZYVNVYCTDJS-AXFHLTTASA-N 2 1 200.326 0.830 20 0 BCADMP Cc1nn(C)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000227419166 134380828 /nfs/dbraw/zinc/38/08/28/134380828.db2.gz XNIYPOYEWHKTRW-UHFFFAOYSA-N 2 1 222.336 0.960 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[NH3+] ZINC000237078201 383864333 /nfs/dbraw/zinc/86/43/33/383864333.db2.gz GSQCLZYJQMNTAJ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CCCc1c[nH+]cn1C ZINC000315044125 383924293 /nfs/dbraw/zinc/92/42/93/383924293.db2.gz XWFREJXTRLVAHX-MNOVXSKESA-N 2 1 222.336 0.774 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000227712948 134385066 /nfs/dbraw/zinc/38/50/66/134385066.db2.gz LWSFPRUUYGJDQF-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000049314765 383892150 /nfs/dbraw/zinc/89/21/50/383892150.db2.gz GAURMRGQZPZJNU-LLVKDONJSA-N 2 1 208.309 0.554 20 0 BCADMP O=C([C@@H]1CSC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159353972 384002278 /nfs/dbraw/zinc/00/22/78/384002278.db2.gz YPEWXILLWQKYAF-AEJSXWLSSA-N 2 1 241.360 0.002 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC[N@H+]1C ZINC000648127067 383999556 /nfs/dbraw/zinc/99/95/56/383999556.db2.gz ADORDGBZOTZDRG-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP COCC[C@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000309390530 383969908 /nfs/dbraw/zinc/96/99/08/383969908.db2.gz SWPUAQOLNNEPMI-GFCCVEGCSA-N 2 1 230.352 0.722 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357237282 383971637 /nfs/dbraw/zinc/97/16/37/383971637.db2.gz FLJVPDBLBPMSSG-QWRGUYRKSA-N 2 1 227.352 0.381 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816826 384024401 /nfs/dbraw/zinc/02/44/01/384024401.db2.gz BNUQGNRDEBSXHJ-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304753 384064566 /nfs/dbraw/zinc/06/45/66/384064566.db2.gz NJOQADPZXQXZSN-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000528437765 384094065 /nfs/dbraw/zinc/09/40/65/384094065.db2.gz ROGPAUOSCWRAAY-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000528437765 384094072 /nfs/dbraw/zinc/09/40/72/384094072.db2.gz ROGPAUOSCWRAAY-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000074693483 384132566 /nfs/dbraw/zinc/13/25/66/384132566.db2.gz WDUZDOCKPSIFKS-UHFFFAOYSA-N 2 1 225.336 0.246 20 0 BCADMP COC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000081066079 384180281 /nfs/dbraw/zinc/18/02/81/384180281.db2.gz ZJHUSIJOSNJRDT-LBPRGKRZSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000163247712 384189119 /nfs/dbraw/zinc/18/91/19/384189119.db2.gz SWMKWZCZBIUQNE-MFKMUULPSA-N 2 1 247.342 0.955 20 0 BCADMP C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000036300305 384234298 /nfs/dbraw/zinc/23/42/98/384234298.db2.gz VVPCRBMJYCLRIV-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000036300305 384234307 /nfs/dbraw/zinc/23/43/07/384234307.db2.gz VVPCRBMJYCLRIV-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP Cc1cnn(CC[N@@H+](C)CCOCC[NH3+])c1 ZINC000304380160 384238140 /nfs/dbraw/zinc/23/81/40/384238140.db2.gz KONKLTIQADTDDJ-UHFFFAOYSA-N 2 1 226.324 0.099 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000069626449 384247821 /nfs/dbraw/zinc/24/78/21/384247821.db2.gz ZYQICTMNKOMLDY-LLVKDONJSA-N 2 1 222.336 0.981 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000082645528 384253797 /nfs/dbraw/zinc/25/37/97/384253797.db2.gz JJWSVRZDWBYTOT-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082645528 384253803 /nfs/dbraw/zinc/25/38/03/384253803.db2.gz JJWSVRZDWBYTOT-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228470908 384254261 /nfs/dbraw/zinc/25/42/61/384254261.db2.gz DOQZBQIDZFEGDS-YNEHKIRRSA-N 2 1 234.347 0.979 20 0 BCADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CC1 ZINC000335395884 384257041 /nfs/dbraw/zinc/25/70/41/384257041.db2.gz MLRFXKLPPVHHHR-PHIMTYICSA-N 2 1 237.347 0.196 20 0 BCADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000083462284 384305493 /nfs/dbraw/zinc/30/54/93/384305493.db2.gz ANUWIOWNVNSZAB-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000168753064 384310759 /nfs/dbraw/zinc/31/07/59/384310759.db2.gz AJAIETYPBASZIS-NEPJUHHUSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507241 384313303 /nfs/dbraw/zinc/31/33/03/384313303.db2.gz MHKVOUOOVQLBRA-CMPLNLGQSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507241 384313307 /nfs/dbraw/zinc/31/33/07/384313307.db2.gz MHKVOUOOVQLBRA-CMPLNLGQSA-N 3 1 227.352 0.034 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000625568172 384315110 /nfs/dbraw/zinc/31/51/10/384315110.db2.gz RRHNQRLLARBITD-JTQLQIEISA-N 2 1 238.335 0.648 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1CCn2ccnc21 ZINC000294181696 384282089 /nfs/dbraw/zinc/28/20/89/384282089.db2.gz RXRZOAMYCPZFCY-SNVBAGLBSA-N 2 1 208.309 0.869 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CCOCCO ZINC000119743435 384299995 /nfs/dbraw/zinc/29/99/95/384299995.db2.gz SGZDINWQLRSNKZ-UHFFFAOYSA-N 2 1 227.308 0.214 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[C@H](C)[NH3+] ZINC000248485043 384336455 /nfs/dbraw/zinc/33/64/55/384336455.db2.gz KKFZBKHDHSBDCG-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000564993120 384362889 /nfs/dbraw/zinc/36/28/89/384362889.db2.gz XYGPVJVPESPTLB-GFCCVEGCSA-N 2 1 248.330 0.164 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000235742037 384413754 /nfs/dbraw/zinc/41/37/54/384413754.db2.gz OEKKUUMFGWNBMJ-PWSUYJOCSA-N 2 1 225.336 0.183 20 0 BCADMP C[N@@H+](Cc1cccs1)C[C@H](O)C[NH3+] ZINC000035717295 384418291 /nfs/dbraw/zinc/41/82/91/384418291.db2.gz CWKCUZCCZBHCAQ-MRVPVSSYSA-N 2 1 200.307 0.500 20 0 BCADMP C[N@H+](Cc1cccs1)C[C@H](O)C[NH3+] ZINC000035717295 384418298 /nfs/dbraw/zinc/41/82/98/384418298.db2.gz CWKCUZCCZBHCAQ-MRVPVSSYSA-N 2 1 200.307 0.500 20 0 BCADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000405615317 384454696 /nfs/dbraw/zinc/45/46/96/384454696.db2.gz IAAMPQVRGNKIHG-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000122462677 384485103 /nfs/dbraw/zinc/48/51/03/384485103.db2.gz LZWDHOSUQLFYDP-UHFFFAOYSA-N 2 1 237.303 0.524 20 0 BCADMP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000568182545 384464416 /nfs/dbraw/zinc/46/44/16/384464416.db2.gz SIEWCHINXUGJPF-YNEHKIRRSA-N 2 1 246.395 0.686 20 0 BCADMP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000568182545 384464424 /nfs/dbraw/zinc/46/44/24/384464424.db2.gz SIEWCHINXUGJPF-YNEHKIRRSA-N 2 1 246.395 0.686 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000361395402 384466662 /nfs/dbraw/zinc/46/66/62/384466662.db2.gz NVWJUFGCALOZQQ-WOPDTQHZSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000361395402 384466668 /nfs/dbraw/zinc/46/66/68/384466668.db2.gz NVWJUFGCALOZQQ-WOPDTQHZSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000161854212 384534268 /nfs/dbraw/zinc/53/42/68/384534268.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 2 1 222.336 0.767 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CCC1)C1CCCC1 ZINC000148279832 384534871 /nfs/dbraw/zinc/53/48/71/384534871.db2.gz QNCUCFFVWYGUNH-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](O)C1 ZINC000085418198 384521749 /nfs/dbraw/zinc/52/17/49/384521749.db2.gz JUYYVNBMQRTNNE-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](O)C1 ZINC000085418198 384521754 /nfs/dbraw/zinc/52/17/54/384521754.db2.gz JUYYVNBMQRTNNE-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](O)C1 ZINC000085418198 384521761 /nfs/dbraw/zinc/52/17/61/384521761.db2.gz JUYYVNBMQRTNNE-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343497 384533617 /nfs/dbraw/zinc/53/36/17/384533617.db2.gz WVNGFJPWJUQAJQ-MXWKQRLJSA-N 2 1 227.352 0.428 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343497 384533625 /nfs/dbraw/zinc/53/36/25/384533625.db2.gz WVNGFJPWJUQAJQ-MXWKQRLJSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000647522917 384548180 /nfs/dbraw/zinc/54/81/80/384548180.db2.gz WLRKTRDABJKIEZ-RYUDHWBXSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000647522918 384548443 /nfs/dbraw/zinc/54/84/43/384548443.db2.gz WLRKTRDABJKIEZ-VXGBXAGGSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC[N@H+]1C ZINC000648177126 384539909 /nfs/dbraw/zinc/53/99/09/384539909.db2.gz JOCBWCMOFWNNDV-GMTAPVOTSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000306067006 384570562 /nfs/dbraw/zinc/57/05/62/384570562.db2.gz YYWMKFXGOAGNRW-GHMZBOCLSA-N 2 1 245.367 0.197 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CSC[NH2+]1 ZINC000041680232 384632899 /nfs/dbraw/zinc/63/28/99/384632899.db2.gz HAUJXWCNIUWRCK-SNVBAGLBSA-N 2 1 245.392 0.449 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079577 384618502 /nfs/dbraw/zinc/61/85/02/384618502.db2.gz IQTXGGXZOXQELM-DGCLKSJQSA-N 2 1 249.358 0.802 20 0 BCADMP CCN1CCN(c2ccnc(C)n2)CC1 ZINC000172821295 384629089 /nfs/dbraw/zinc/62/90/89/384629089.db2.gz PELIRXSMIYLGHO-UHFFFAOYSA-N 2 1 206.293 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000258678271 384631176 /nfs/dbraw/zinc/63/11/76/384631176.db2.gz TUVDASMWGDUZAW-NSHDSACASA-N 2 1 240.351 0.132 20 0 BCADMP CC[C@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC000309843562 384664234 /nfs/dbraw/zinc/66/42/34/384664234.db2.gz FIYJHYBVUWFGMK-JQWIXIFHSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC000309843562 384664240 /nfs/dbraw/zinc/66/42/40/384664240.db2.gz FIYJHYBVUWFGMK-JQWIXIFHSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)([NH3+])CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000647538106 384664316 /nfs/dbraw/zinc/66/43/16/384664316.db2.gz GAIRIQRZVCLPCN-UHFFFAOYSA-N 2 1 229.368 0.112 20 0 BCADMP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000158260022 384651553 /nfs/dbraw/zinc/65/15/53/384651553.db2.gz YENGLMRLDIUAOG-SRVKXCTJSA-N 2 1 241.379 0.972 20 0 BCADMP C[N@H+](CCO)CC[C@@H]1CCCC[NH+]1C ZINC000049633841 384679255 /nfs/dbraw/zinc/67/92/55/384679255.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[N@@H+](CCO)CC[C@@H]1CCCC[NH+]1C ZINC000049633841 384679263 /nfs/dbraw/zinc/67/92/63/384679263.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000049633841 384679269 /nfs/dbraw/zinc/67/92/69/384679269.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCO)CC[C@@H]1CCCC[N@H+]1C ZINC000049633841 384679274 /nfs/dbraw/zinc/67/92/74/384679274.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444175828 384681102 /nfs/dbraw/zinc/68/11/02/384681102.db2.gz MFUBIUSLUBFCLG-QKCSRTOESA-N 2 1 249.358 0.339 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000104418523 384686157 /nfs/dbraw/zinc/68/61/57/384686157.db2.gz VKZCUHBMWMURGH-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000104418523 384686165 /nfs/dbraw/zinc/68/61/65/384686165.db2.gz VKZCUHBMWMURGH-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236863656 384690552 /nfs/dbraw/zinc/69/05/52/384690552.db2.gz GXBULPJSYAQPBV-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCOC1 ZINC000359427349 384726680 /nfs/dbraw/zinc/72/66/80/384726680.db2.gz PGRYPESBZFOEHF-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1CN(CC[N@@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000313912187 384711182 /nfs/dbraw/zinc/71/11/82/384711182.db2.gz WDGKJDZHKAGRLE-TXEJJXNPSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)CCC[NH3+])C[C@H](C)O1 ZINC000313912187 384711196 /nfs/dbraw/zinc/71/11/96/384711196.db2.gz WDGKJDZHKAGRLE-TXEJJXNPSA-N 2 1 229.368 0.376 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)CCOCC[NH3+] ZINC000314802417 384713715 /nfs/dbraw/zinc/71/37/15/384713715.db2.gz VYSVLZVLVZPIIZ-UHFFFAOYSA-N 2 1 240.351 0.260 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOCC[NH3+] ZINC000314802417 384713721 /nfs/dbraw/zinc/71/37/21/384713721.db2.gz VYSVLZVLVZPIIZ-UHFFFAOYSA-N 3 1 240.351 0.260 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOCC[NH3+] ZINC000314802417 384713728 /nfs/dbraw/zinc/71/37/28/384713728.db2.gz VYSVLZVLVZPIIZ-UHFFFAOYSA-N 3 1 240.351 0.260 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000236873279 384719346 /nfs/dbraw/zinc/71/93/46/384719346.db2.gz WWWRYYREMVSOPO-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP COc1cc(C)[nH+]c(CN(C)CC[NH3+])c1 ZINC000125949643 384722022 /nfs/dbraw/zinc/72/20/22/384722022.db2.gz WVFJVSNHGFNNRF-UHFFFAOYSA-N 2 1 209.293 0.789 20 0 BCADMP CC(C)(C)OCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000308516267 384776833 /nfs/dbraw/zinc/77/68/33/384776833.db2.gz ZCBIESSLUXCVNI-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546373 384728879 /nfs/dbraw/zinc/72/88/79/384728879.db2.gz HTBKSEKWYLKKFK-QJPTWQEYSA-N 3 1 211.353 0.574 20 0 BCADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000647546440 384731043 /nfs/dbraw/zinc/73/10/43/384731043.db2.gz KHCDHFUHAHOZIH-LBPRGKRZSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H]1C[NH2+]C[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000647546945 384732712 /nfs/dbraw/zinc/73/27/12/384732712.db2.gz HXOSKRXLNSKYLP-SFYZADRCSA-N 2 1 207.268 0.168 20 0 BCADMP CCCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546971 384733671 /nfs/dbraw/zinc/73/36/71/384733671.db2.gz IPRGBBRYBXFALX-FRRDWIJNSA-N 2 1 225.380 0.964 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000647546639 384734225 /nfs/dbraw/zinc/73/42/25/384734225.db2.gz TUJVLDPSDZZTQA-QJPTWQEYSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H](CO)[C@H]2CCCOC2)C1 ZINC000647551720 384754536 /nfs/dbraw/zinc/75/45/36/384754536.db2.gz FIUPMURVXOUUJL-WUHRBBMRSA-N 2 1 242.363 0.362 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509227 384762324 /nfs/dbraw/zinc/76/23/24/384762324.db2.gz WVNVYWRJNIDZGF-JQWIXIFHSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509228 384762348 /nfs/dbraw/zinc/76/23/48/384762348.db2.gz WVNVYWRJNIDZGF-PWSUYJOCSA-N 3 1 211.353 0.655 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335064451 384787378 /nfs/dbraw/zinc/78/73/78/384787378.db2.gz DIIBCGGPTSQYAJ-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126978228 384836599 /nfs/dbraw/zinc/83/65/99/384836599.db2.gz MOERWAKBVNUDOM-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1C ZINC000126776725 384804649 /nfs/dbraw/zinc/80/46/49/384804649.db2.gz LZAILBQJFMQUNY-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1C ZINC000126776725 384804654 /nfs/dbraw/zinc/80/46/54/384804654.db2.gz LZAILBQJFMQUNY-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040018 384808905 /nfs/dbraw/zinc/80/89/05/384808905.db2.gz XNJFFPVEXGARQC-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)Cc1nccn1C ZINC000186776292 384880599 /nfs/dbraw/zinc/88/05/99/384880599.db2.gz PFJKEBJFHJQISM-UHFFFAOYSA-N 2 1 222.336 0.946 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000300771824 384880729 /nfs/dbraw/zinc/88/07/29/384880729.db2.gz ACGDHAGIZZKNHY-LLVKDONJSA-N 2 1 222.336 0.898 20 0 BCADMP Cn1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000127298016 384882041 /nfs/dbraw/zinc/88/20/41/384882041.db2.gz CMANKBIIOFAVHV-GFCCVEGCSA-N 2 1 225.336 0.427 20 0 BCADMP C[N@@H+](C[C@H](O)CN[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548012 384952094 /nfs/dbraw/zinc/95/20/94/384952094.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CN[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000644548012 384952099 /nfs/dbraw/zinc/95/20/99/384952099.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@H](O)CN[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000644548012 384952103 /nfs/dbraw/zinc/95/21/03/384952103.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 1 241.379 0.125 20 0 BCADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@@H](O)C[NH3+] ZINC000566230082 384957785 /nfs/dbraw/zinc/95/77/85/384957785.db2.gz GAJRURCRXCEQCG-LBPRGKRZSA-N 2 1 235.331 0.406 20 0 BCADMP C[N@H+](Cc1cccc2c1NCC2)C[C@@H](O)C[NH3+] ZINC000566230082 384957789 /nfs/dbraw/zinc/95/77/89/384957789.db2.gz GAJRURCRXCEQCG-LBPRGKRZSA-N 2 1 235.331 0.406 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000156599495 384903537 /nfs/dbraw/zinc/90/35/37/384903537.db2.gz KKFZBKHDHSBDCG-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000257798691 384926711 /nfs/dbraw/zinc/92/67/11/384926711.db2.gz WLMFTTYNVJCTJP-ZDUSSCGKSA-N 2 1 225.380 0.916 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000226151558 384936834 /nfs/dbraw/zinc/93/68/34/384936834.db2.gz AXDGHBMNLNQISN-TXEJJXNPSA-N 2 1 220.320 0.114 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258884564 384945025 /nfs/dbraw/zinc/94/50/25/384945025.db2.gz USJPFFFPWOYMMN-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000258794034 384945323 /nfs/dbraw/zinc/94/53/23/384945323.db2.gz BZKQTEGNTLSKMS-LBPRGKRZSA-N 2 1 238.331 0.755 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000258794034 384945328 /nfs/dbraw/zinc/94/53/28/384945328.db2.gz BZKQTEGNTLSKMS-LBPRGKRZSA-N 2 1 238.331 0.755 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577303 384966824 /nfs/dbraw/zinc/96/68/24/384966824.db2.gz LESSLMFHVHOEKD-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577303 384966828 /nfs/dbraw/zinc/96/68/28/384966828.db2.gz LESSLMFHVHOEKD-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP CCCC[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310383439 385021385 /nfs/dbraw/zinc/02/13/85/385021385.db2.gz BVUSNWPAZCSPIX-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310383439 385021392 /nfs/dbraw/zinc/02/13/92/385021392.db2.gz BVUSNWPAZCSPIX-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310383439 385021400 /nfs/dbraw/zinc/02/14/00/385021400.db2.gz BVUSNWPAZCSPIX-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310383439 385021408 /nfs/dbraw/zinc/02/14/08/385021408.db2.gz BVUSNWPAZCSPIX-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP Cc1cc(CNC[C@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000644565548 384972025 /nfs/dbraw/zinc/97/20/25/384972025.db2.gz ZYHGVGLZNKBYQH-LBPRGKRZSA-N 2 1 238.335 0.263 20 0 BCADMP Cc1cc(CNC[C@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000644565548 384972031 /nfs/dbraw/zinc/97/20/31/384972031.db2.gz ZYHGVGLZNKBYQH-LBPRGKRZSA-N 2 1 238.335 0.263 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)O ZINC000564845141 384974200 /nfs/dbraw/zinc/97/42/00/384974200.db2.gz QAMLOZJHZAJDKB-VHSXEESVSA-N 2 1 211.309 0.941 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000156915963 385022169 /nfs/dbraw/zinc/02/21/69/385022169.db2.gz VZARLHDVIPQDNU-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000647242333 384990490 /nfs/dbraw/zinc/99/04/90/384990490.db2.gz PTWUQQFONNXJED-YVECIDJPSA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000647242333 384990496 /nfs/dbraw/zinc/99/04/96/384990496.db2.gz PTWUQQFONNXJED-YVECIDJPSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000129440853 384993789 /nfs/dbraw/zinc/99/37/89/384993789.db2.gz UPXNNKPMEBNTSS-VHSXEESVSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226399273 385007628 /nfs/dbraw/zinc/00/76/28/385007628.db2.gz ABJQLUIEUSCPPD-KOLCDFICSA-N 2 1 225.336 0.337 20 0 BCADMP CC[N@@H+](CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000226397391 385007701 /nfs/dbraw/zinc/00/77/01/385007701.db2.gz HSZKXJWUYVRNLY-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000226398163 385007863 /nfs/dbraw/zinc/00/78/63/385007863.db2.gz SPFPNKVGJMNQIU-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226398827 385009498 /nfs/dbraw/zinc/00/94/98/385009498.db2.gz ZGOLJVGELNXKHG-ZWNOBZJWSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310383437 385020365 /nfs/dbraw/zinc/02/03/65/385020365.db2.gz BVUSNWPAZCSPIX-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000310383437 385020373 /nfs/dbraw/zinc/02/03/73/385020373.db2.gz BVUSNWPAZCSPIX-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310383437 385020379 /nfs/dbraw/zinc/02/03/79/385020379.db2.gz BVUSNWPAZCSPIX-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CCCC[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310383437 385020388 /nfs/dbraw/zinc/02/03/88/385020388.db2.gz BVUSNWPAZCSPIX-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH3+])CC2)CC[N@H+]1C ZINC000647638891 385050791 /nfs/dbraw/zinc/05/07/91/385050791.db2.gz WNNQUQRYJJZNHF-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404758701 385051604 /nfs/dbraw/zinc/05/16/04/385051604.db2.gz AZSLQOBWEXZTDR-DCAQKATOSA-N 2 1 241.379 0.863 20 0 BCADMP C[NH2+]CCSCCCN1CC[NH+](C)CC1 ZINC000566184918 385058075 /nfs/dbraw/zinc/05/80/75/385058075.db2.gz SFKCVHSBVHQVKX-UHFFFAOYSA-N 2 1 231.409 0.577 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C1(CO)CCCC1)C1CC1 ZINC000310460206 385080742 /nfs/dbraw/zinc/08/07/42/385080742.db2.gz ARAYOTFQTUQAKI-GFCCVEGCSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C1(CO)CCCC1)C1CC1 ZINC000310460206 385080747 /nfs/dbraw/zinc/08/07/47/385080747.db2.gz ARAYOTFQTUQAKI-GFCCVEGCSA-N 2 1 242.363 0.336 20 0 BCADMP C[C@@H](C(=O)NCc1nccn1C)[NH+]1CC(C)C1 ZINC000557594372 385031878 /nfs/dbraw/zinc/03/18/78/385031878.db2.gz BHNCXROFDNEXAH-JTQLQIEISA-N 2 1 236.319 0.377 20 0 BCADMP CC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000644639713 385042984 /nfs/dbraw/zinc/04/29/84/385042984.db2.gz RDUJBAVSNVKKDE-LBPRGKRZSA-N 2 1 243.395 0.373 20 0 BCADMP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000647460183 385046026 /nfs/dbraw/zinc/04/60/26/385046026.db2.gz NEGSZFZLDCYGRJ-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000647460183 385046034 /nfs/dbraw/zinc/04/60/34/385046034.db2.gz NEGSZFZLDCYGRJ-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000647460183 385046040 /nfs/dbraw/zinc/04/60/40/385046040.db2.gz NEGSZFZLDCYGRJ-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000647460183 385046052 /nfs/dbraw/zinc/04/60/52/385046052.db2.gz NEGSZFZLDCYGRJ-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000157266830 385130683 /nfs/dbraw/zinc/13/06/83/385130683.db2.gz SSHLECNLALBECW-IJLUTSLNSA-N 2 1 237.347 0.434 20 0 BCADMP Cn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404830573 385096729 /nfs/dbraw/zinc/09/67/29/385096729.db2.gz IDWMFJVXEMXTCE-UWVGGRQHSA-N 2 1 208.309 0.636 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100072 /nfs/dbraw/zinc/10/00/72/385100072.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100081 /nfs/dbraw/zinc/10/00/81/385100081.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100086 /nfs/dbraw/zinc/10/00/86/385100086.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100091 /nfs/dbraw/zinc/10/00/91/385100091.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO)CC1 ZINC000177715231 385101312 /nfs/dbraw/zinc/10/13/12/385101312.db2.gz FKPMINCQZHBCMO-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCO)CC1 ZINC000177715231 385101319 /nfs/dbraw/zinc/10/13/19/385101319.db2.gz FKPMINCQZHBCMO-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000530832000 385102692 /nfs/dbraw/zinc/10/26/92/385102692.db2.gz RYEJKSFMPHGGGY-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000647674538 385182348 /nfs/dbraw/zinc/18/23/48/385182348.db2.gz JWTPRLKOQGCOQN-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057947 385199742 /nfs/dbraw/zinc/19/97/42/385199742.db2.gz DCIOSQMSNXEZLB-GARJFASQSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000647018115 385143070 /nfs/dbraw/zinc/14/30/70/385143070.db2.gz FYDZLEVQWPEQFU-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647011698 385146727 /nfs/dbraw/zinc/14/67/27/385146727.db2.gz JAFHMLUIZREBNJ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000157401410 385174859 /nfs/dbraw/zinc/17/48/59/385174859.db2.gz GSPXXSMGUOXOFC-OUAUKWLOSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000364171678 385210135 /nfs/dbraw/zinc/21/01/35/385210135.db2.gz RXTMOJKJBPHTSI-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000364171678 385210138 /nfs/dbraw/zinc/21/01/38/385210138.db2.gz RXTMOJKJBPHTSI-UHFFFAOYSA-N 2 1 225.336 0.245 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647064862 385210268 /nfs/dbraw/zinc/21/02/68/385210268.db2.gz QZMLBHPQQVSGEU-JOYOIKCWSA-N 2 1 243.326 0.144 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)c1csc(C[NH3+])n1 ZINC000647068984 385214405 /nfs/dbraw/zinc/21/44/05/385214405.db2.gz HJJVJFQCMPGPHH-ZCFIWIBFSA-N 2 1 228.321 0.069 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000164668957 385227209 /nfs/dbraw/zinc/22/72/09/385227209.db2.gz BHQPTPZAEVBQJL-UWVGGRQHSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000164668957 385227215 /nfs/dbraw/zinc/22/72/15/385227215.db2.gz BHQPTPZAEVBQJL-UWVGGRQHSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@H+](CCOCCO)CC(C)(C)[NH3+] ZINC000308861320 385227966 /nfs/dbraw/zinc/22/79/66/385227966.db2.gz RNAZZOSIFCPJON-UHFFFAOYSA-N 2 1 204.314 0.055 20 0 BCADMP CC[N@@H+](CCOCCO)CC(C)(C)[NH3+] ZINC000308861320 385227974 /nfs/dbraw/zinc/22/79/74/385227974.db2.gz RNAZZOSIFCPJON-UHFFFAOYSA-N 2 1 204.314 0.055 20 0 BCADMP CC(C)[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C ZINC000108362548 385233345 /nfs/dbraw/zinc/23/33/45/385233345.db2.gz IEKOIBBXPQPZKL-NSHDSACASA-N 2 1 213.369 0.996 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000235154916 385238776 /nfs/dbraw/zinc/23/87/76/385238776.db2.gz NRLUTOWTMYNUHX-VHSXEESVSA-N 2 1 245.392 0.135 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157641541 385239293 /nfs/dbraw/zinc/23/92/93/385239293.db2.gz DOHIBUUHHBWMCR-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237022031 385243451 /nfs/dbraw/zinc/24/34/51/385243451.db2.gz PYGRNUMRGDNOHG-NXEZZACHSA-N 2 1 245.392 0.495 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237022031 385243459 /nfs/dbraw/zinc/24/34/59/385243459.db2.gz PYGRNUMRGDNOHG-NXEZZACHSA-N 2 1 245.392 0.495 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308889823 385244644 /nfs/dbraw/zinc/24/46/44/385244644.db2.gz XDROVKOSZSFAAJ-OPRDCNLKSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308889823 385244646 /nfs/dbraw/zinc/24/46/46/385244646.db2.gz XDROVKOSZSFAAJ-OPRDCNLKSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000336396964 385252549 /nfs/dbraw/zinc/25/25/49/385252549.db2.gz VFEKGVYSJWNQKJ-WPRPVWTQSA-N 2 1 243.376 0.235 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157921001 385311284 /nfs/dbraw/zinc/31/12/84/385311284.db2.gz GZNIJTWFYIPXRY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157921001 385311290 /nfs/dbraw/zinc/31/12/90/385311290.db2.gz GZNIJTWFYIPXRY-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000569254240 385314096 /nfs/dbraw/zinc/31/40/96/385314096.db2.gz HJXYXNGLHGXGLV-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP OCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157939612 385316944 /nfs/dbraw/zinc/31/69/44/385316944.db2.gz RHWNFUPQQNRWHW-NEPJUHHUSA-N 2 1 212.337 0.975 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCO1 ZINC000037889989 385321546 /nfs/dbraw/zinc/32/15/46/385321546.db2.gz VILXUIVPSSVUDU-GARJFASQSA-N 2 1 216.325 0.066 20 0 BCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237037414 385259213 /nfs/dbraw/zinc/25/92/13/385259213.db2.gz OCTFEOQBSKMRND-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000308902933 385274929 /nfs/dbraw/zinc/27/49/29/385274929.db2.gz JKSYKVNKAUJOBA-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157783005 385277782 /nfs/dbraw/zinc/27/77/82/385277782.db2.gz JNABZFOLBXJJQB-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490235 385281503 /nfs/dbraw/zinc/28/15/03/385281503.db2.gz HHAPCEPBYBLBHZ-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP CC[C@H]1C[N@H+](C)CCCN1C(=O)C[NH+](C)C ZINC000647651155 385283422 /nfs/dbraw/zinc/28/34/22/385283422.db2.gz BFDMQFAGCHBLFH-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)C[NH+](C)C ZINC000647651155 385283424 /nfs/dbraw/zinc/28/34/24/385283424.db2.gz BFDMQFAGCHBLFH-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c(N(C)C)n1 ZINC000168332468 385363084 /nfs/dbraw/zinc/36/30/84/385363084.db2.gz RQVISBLCUZEKKO-VIFPVBQESA-N 2 1 223.324 0.810 20 0 BCADMP c1n[nH]cc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309014946 385371067 /nfs/dbraw/zinc/37/10/67/385371067.db2.gz QOZMUWDEEGCADF-PHIMTYICSA-N 2 1 206.293 0.103 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309049626 385383907 /nfs/dbraw/zinc/38/39/07/385383907.db2.gz QDGRGRPAUWHTBH-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309049626 385383910 /nfs/dbraw/zinc/38/39/10/385383910.db2.gz QDGRGRPAUWHTBH-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000405227080 385386943 /nfs/dbraw/zinc/38/69/43/385386943.db2.gz OZIMAQHZKPGYHC-NXEZZACHSA-N 2 1 225.336 0.228 20 0 BCADMP CSC1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000309081089 385400787 /nfs/dbraw/zinc/40/07/87/385400787.db2.gz PRGRSXVYKMTVME-JTQLQIEISA-N 2 1 230.377 0.538 20 0 BCADMP CSC1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000309081089 385400789 /nfs/dbraw/zinc/40/07/89/385400789.db2.gz PRGRSXVYKMTVME-JTQLQIEISA-N 2 1 230.377 0.538 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000257647061 385480767 /nfs/dbraw/zinc/48/07/67/385480767.db2.gz ANCFBPJWDBDUSN-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000257668306 385484452 /nfs/dbraw/zinc/48/44/52/385484452.db2.gz FTMKEICLDQMQDY-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257670653 385485902 /nfs/dbraw/zinc/48/59/02/385485902.db2.gz GINCEYOXQWEWGF-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH3+])CC2)C1 ZINC000257689890 385493265 /nfs/dbraw/zinc/49/32/65/385493265.db2.gz LKGSBWUDJPBSSM-UNXYVOJBSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000408062738 385493897 /nfs/dbraw/zinc/49/38/97/385493897.db2.gz ZYXNCLDZRASBTH-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000408062738 385493899 /nfs/dbraw/zinc/49/38/99/385493899.db2.gz ZYXNCLDZRASBTH-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000408062738 385493902 /nfs/dbraw/zinc/49/39/02/385493902.db2.gz ZYXNCLDZRASBTH-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000408062738 385493906 /nfs/dbraw/zinc/49/39/06/385493906.db2.gz ZYXNCLDZRASBTH-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000257790859 385495377 /nfs/dbraw/zinc/49/53/77/385495377.db2.gz PAXYFSVWBPRPKD-QWHCGFSZSA-N 2 1 225.380 0.868 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000257751326 385495970 /nfs/dbraw/zinc/49/59/70/385495970.db2.gz GPAHGNRGEGCNSD-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000257753627 385496054 /nfs/dbraw/zinc/49/60/54/385496054.db2.gz ZJJNCMUDZBDKDS-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000257750170 385496732 /nfs/dbraw/zinc/49/67/32/385496732.db2.gz YJWXMQLMWYARJP-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CN(C)c1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643031209 385527663 /nfs/dbraw/zinc/52/76/63/385527663.db2.gz JZPNSXCCAPMIIL-MNOVXSKESA-N 2 1 247.346 0.731 20 0 BCADMP Cc1noc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000082475045 385551295 /nfs/dbraw/zinc/55/12/95/385551295.db2.gz KKQIBSRQOMZMHY-QMMMGPOBSA-N 2 1 224.308 0.937 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364990975 385557653 /nfs/dbraw/zinc/55/76/53/385557653.db2.gz XIVRUYOSRKRUJG-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309486732 385613927 /nfs/dbraw/zinc/61/39/27/385613927.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 1 230.352 0.408 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309486732 385613930 /nfs/dbraw/zinc/61/39/30/385613930.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309486508 385614245 /nfs/dbraw/zinc/61/42/45/385614245.db2.gz VQEZVHCJNTXHHD-VXGBXAGGSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309486508 385614249 /nfs/dbraw/zinc/61/42/49/385614249.db2.gz VQEZVHCJNTXHHD-VXGBXAGGSA-N 2 1 230.352 0.314 20 0 BCADMP CCn1nccc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414848526 385610780 /nfs/dbraw/zinc/61/07/80/385610780.db2.gz XCQNKGBLCPQMLX-SNVBAGLBSA-N 2 1 210.325 0.848 20 0 BCADMP CC(=O)NCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108371125 385639755 /nfs/dbraw/zinc/63/97/55/385639755.db2.gz RNVXEOFWJVOMBP-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000337418084 385644139 /nfs/dbraw/zinc/64/41/39/385644139.db2.gz SLLYIOMEUFUXPE-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337433573 385658420 /nfs/dbraw/zinc/65/84/20/385658420.db2.gz BMXSCUASBPLHGH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337433561 385658865 /nfs/dbraw/zinc/65/88/65/385658865.db2.gz BMXSCUASBPLHGH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000337437051 385660154 /nfs/dbraw/zinc/66/01/54/385660154.db2.gz BKJLZSIHYAIEGA-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000337437051 385660157 /nfs/dbraw/zinc/66/01/57/385660157.db2.gz BKJLZSIHYAIEGA-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C(CN1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309536542 385676234 /nfs/dbraw/zinc/67/62/34/385676234.db2.gz FLMIOWCQQKAOGD-QWHCGFSZSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309536542 385676239 /nfs/dbraw/zinc/67/62/39/385676239.db2.gz FLMIOWCQQKAOGD-QWHCGFSZSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309536542 385676243 /nfs/dbraw/zinc/67/62/43/385676243.db2.gz FLMIOWCQQKAOGD-QWHCGFSZSA-N 2 1 223.364 0.909 20 0 BCADMP [NH3+]CC1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000414853276 385685808 /nfs/dbraw/zinc/68/58/08/385685808.db2.gz XIFJGGXBJQWPJT-HTAVTVPLSA-N 2 1 211.353 0.846 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221703708 385688200 /nfs/dbraw/zinc/68/82/00/385688200.db2.gz LKBZZMOWLUCHEL-GARJFASQSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221703708 385688205 /nfs/dbraw/zinc/68/82/05/385688205.db2.gz LKBZZMOWLUCHEL-GARJFASQSA-N 2 1 200.326 0.830 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000336693278 385737943 /nfs/dbraw/zinc/73/79/43/385737943.db2.gz RCNOVXRRIBGWJP-NXEZZACHSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590028 385720959 /nfs/dbraw/zinc/72/09/59/385720959.db2.gz UNLDDVXFPZMMPI-ONGXEEELSA-N 2 1 241.360 0.860 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647801404 385812496 /nfs/dbraw/zinc/81/24/96/385812496.db2.gz UQIIORGLMHURHN-WDEREUQCSA-N 2 1 237.351 0.335 20 0 BCADMP CN(C)c1cc(NC(=O)[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000261726630 385826787 /nfs/dbraw/zinc/82/67/87/385826787.db2.gz NXEVUXAJTHMWIN-JTQLQIEISA-N 2 1 234.303 0.838 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000647842529 385891965 /nfs/dbraw/zinc/89/19/65/385891965.db2.gz OGRXOZANMKCRTH-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000647842529 385891970 /nfs/dbraw/zinc/89/19/70/385891970.db2.gz OGRXOZANMKCRTH-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+][C@@H](C)C2)CCO1 ZINC000647842530 385892083 /nfs/dbraw/zinc/89/20/83/385892083.db2.gz OGRXOZANMKCRTH-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+][C@@H](C)C2)CCO1 ZINC000647842530 385892089 /nfs/dbraw/zinc/89/20/89/385892089.db2.gz OGRXOZANMKCRTH-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647844385 385895622 /nfs/dbraw/zinc/89/56/22/385895622.db2.gz RNPDGQFOAFKAJN-PWSUYJOCSA-N 2 1 235.331 0.554 20 0 BCADMP CC1(C)CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647852856 385905399 /nfs/dbraw/zinc/90/53/99/385905399.db2.gz IWNOQTPAFRFCSG-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP CC1(C)C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000647852856 385905402 /nfs/dbraw/zinc/90/54/02/385905402.db2.gz IWNOQTPAFRFCSG-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335820991 385908804 /nfs/dbraw/zinc/90/88/04/385908804.db2.gz HNRNNKKJZFBCPB-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP C[N@H+](CCC(N)=O)CC[C@H]1CCCC[NH+]1C ZINC000353208839 385909522 /nfs/dbraw/zinc/90/95/22/385909522.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353208839 385909524 /nfs/dbraw/zinc/90/95/24/385909524.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@H]1CCCC[N@H+]1C ZINC000353208839 385909525 /nfs/dbraw/zinc/90/95/25/385909525.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000336721583 385911874 /nfs/dbraw/zinc/91/18/74/385911874.db2.gz DSROZCGHSRTCBS-YFKTTZPYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000336721556 385912516 /nfs/dbraw/zinc/91/25/16/385912516.db2.gz DSROZCGHSRTCBS-QCNOEVLYSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417441058 385921089 /nfs/dbraw/zinc/92/10/89/385921089.db2.gz ABKACNLBNGFRNL-JTQLQIEISA-N 2 1 230.356 0.235 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000647732338 385862091 /nfs/dbraw/zinc/86/20/91/385862091.db2.gz CSVXIZFBCFVSCV-OUAUKWLOSA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414959513 385869051 /nfs/dbraw/zinc/86/90/51/385869051.db2.gz SGZYFNNXYBSNOC-NEPJUHHUSA-N 2 1 230.352 0.770 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836741 385879819 /nfs/dbraw/zinc/87/98/19/385879819.db2.gz OREPBVOCMINYTF-OLZOCXBDSA-N 2 1 225.380 0.917 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1(C)CC1 ZINC000336749177 385992238 /nfs/dbraw/zinc/99/22/38/385992238.db2.gz FBDZIYMZWQRFFC-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(C)CC1 ZINC000336749177 385992241 /nfs/dbraw/zinc/99/22/41/385992241.db2.gz FBDZIYMZWQRFFC-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251145397 385935347 /nfs/dbraw/zinc/93/53/47/385935347.db2.gz XDFLYTPRJATLSD-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445391 385937053 /nfs/dbraw/zinc/93/70/53/385937053.db2.gz GRETWDGVJNTWOV-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cn[nH]c1 ZINC000309012984 385937453 /nfs/dbraw/zinc/93/74/53/385937453.db2.gz PTJIZVFODFHWHR-MWLCHTKSSA-N 2 1 208.309 0.764 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417443967 385947957 /nfs/dbraw/zinc/94/79/57/385947957.db2.gz BMBJOYOOTNGKMX-NXEZZACHSA-N 2 1 230.356 0.363 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417448776 385952538 /nfs/dbraw/zinc/95/25/38/385952538.db2.gz WIVHTUPQAMZBAY-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP CC[NH+](CC)CCC[N@H+](C)[C@]1(CO)CCOC1 ZINC000338303876 385952604 /nfs/dbraw/zinc/95/26/04/385952604.db2.gz OXEMZRGWHINGTJ-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000338303876 385952609 /nfs/dbraw/zinc/95/26/09/385952609.db2.gz OXEMZRGWHINGTJ-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865396 385994177 /nfs/dbraw/zinc/99/41/77/385994177.db2.gz IETFVQRKWSDKRB-QJPTWQEYSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865396 385994180 /nfs/dbraw/zinc/99/41/80/385994180.db2.gz IETFVQRKWSDKRB-QJPTWQEYSA-N 3 1 227.352 0.034 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000338361072 385971453 /nfs/dbraw/zinc/97/14/53/385971453.db2.gz LNZUNADECHUEJH-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1C[C@H]1C ZINC000414125380 385975171 /nfs/dbraw/zinc/97/51/71/385975171.db2.gz QCYLBZDKAINJKN-YTWAJWBKSA-N 2 1 200.326 0.543 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417456668 386000169 /nfs/dbraw/zinc/00/01/69/386000169.db2.gz GXTNLLCHBUUSSP-LLVKDONJSA-N 2 1 244.383 0.705 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000638574997 386002869 /nfs/dbraw/zinc/00/28/69/386002869.db2.gz AUKMUNPAWXGKQV-WDEREUQCSA-N 2 1 236.319 0.448 20 0 BCADMP CCCC[N@@H+](CCO)CCOCC[NH3+] ZINC000336769830 386005594 /nfs/dbraw/zinc/00/55/94/386005594.db2.gz VZALHEIRSQWYCT-UHFFFAOYSA-N 2 1 204.314 0.056 20 0 BCADMP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417459254 386010776 /nfs/dbraw/zinc/01/07/76/386010776.db2.gz IWJWUPYNVLYIKD-LLVKDONJSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CC[NH3+])C(C)C ZINC000417462147 386020460 /nfs/dbraw/zinc/02/04/60/386020460.db2.gz MVZHUJNOVCTBIO-UHFFFAOYSA-N 2 1 230.356 0.317 20 0 BCADMP CC[N@@H+](CCNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417465265 386031376 /nfs/dbraw/zinc/03/13/76/386031376.db2.gz SAYFDVURUGTNCG-UHFFFAOYSA-N 2 1 244.383 0.753 20 0 BCADMP CCCC[C@H](COC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978267 386039445 /nfs/dbraw/zinc/03/94/45/386039445.db2.gz RKHOIBWLBDWJRR-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000054133625 386111282 /nfs/dbraw/zinc/11/12/82/386111282.db2.gz NBPHECWVEZTJFP-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000054133174 386111503 /nfs/dbraw/zinc/11/15/03/386111503.db2.gz IGGPGVLWCAMLJH-LBPRGKRZSA-N 2 1 235.331 0.754 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000414981115 386061333 /nfs/dbraw/zinc/06/13/33/386061333.db2.gz XCQONELGTBLGKE-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981683 386068406 /nfs/dbraw/zinc/06/84/06/386068406.db2.gz YGPVPQORQADGKX-STQMWFEESA-N 2 1 243.395 0.541 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000334440383 386068717 /nfs/dbraw/zinc/06/87/17/386068717.db2.gz WRONTSSIYITCPX-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414651697 386071819 /nfs/dbraw/zinc/07/18/19/386071819.db2.gz FWGVDFJMGSWUFY-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414651697 386071822 /nfs/dbraw/zinc/07/18/22/386071822.db2.gz FWGVDFJMGSWUFY-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676161 386148477 /nfs/dbraw/zinc/14/84/77/386148477.db2.gz UUTFSVVLAXZXLZ-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000346157095 386170731 /nfs/dbraw/zinc/17/07/31/386170731.db2.gz TYUUJOKULKUQEE-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690782 386186317 /nfs/dbraw/zinc/18/63/17/386186317.db2.gz NSUQSTWIHRODOZ-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP CCOCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365504015 386137491 /nfs/dbraw/zinc/13/74/91/386137491.db2.gz AAOYMOUTWPPLKZ-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP CCOCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365504015 386137497 /nfs/dbraw/zinc/13/74/97/386137497.db2.gz AAOYMOUTWPPLKZ-XQQFMLRXSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H](C(=O)NC1CC1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365520816 386142968 /nfs/dbraw/zinc/14/29/68/386142968.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 1 237.347 0.147 20 0 BCADMP Cn1nnc2cc(C[NH2+]C[C@@H]([NH3+])C3CC3)ccc21 ZINC000414896351 386202269 /nfs/dbraw/zinc/20/22/69/386202269.db2.gz OSCORXKHZSFZQH-LLVKDONJSA-N 2 1 245.330 0.795 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697226 386203011 /nfs/dbraw/zinc/20/30/11/386203011.db2.gz IHDABBOUCXOPNV-NEPJUHHUSA-N 2 1 244.379 0.297 20 0 BCADMP COC(=O)[C@@]1(C)CC[N@@H+](CCC[NH3+])C1 ZINC000414702257 386208239 /nfs/dbraw/zinc/20/82/39/386208239.db2.gz IENWKAHBWMABHS-JTQLQIEISA-N 2 1 200.282 0.220 20 0 BCADMP C[C@H](C[NH3+])NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000417507733 386211312 /nfs/dbraw/zinc/21/13/12/386211312.db2.gz OHJPWCFCRWWESP-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131696171 386213830 /nfs/dbraw/zinc/21/38/30/386213830.db2.gz AMEHLEPIADMURA-OUAUKWLOSA-N 2 1 241.379 0.959 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC000343190005 386214812 /nfs/dbraw/zinc/21/48/12/386214812.db2.gz CNADQMDAAXYYPS-SNVBAGLBSA-N 2 1 248.334 0.746 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131790285 386223191 /nfs/dbraw/zinc/22/31/91/386223191.db2.gz ZPKKIYLHSNPHGK-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131790285 386223197 /nfs/dbraw/zinc/22/31/97/386223197.db2.gz ZPKKIYLHSNPHGK-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP CN(C)c1nccc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000347034838 386223875 /nfs/dbraw/zinc/22/38/75/386223875.db2.gz CXZKGEYYXAHYFU-SNVBAGLBSA-N 2 1 235.335 0.323 20 0 BCADMP CN(C)c1nccc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000347034838 386223877 /nfs/dbraw/zinc/22/38/77/386223877.db2.gz CXZKGEYYXAHYFU-SNVBAGLBSA-N 2 1 235.335 0.323 20 0 BCADMP C[NH+](C)C1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000365622053 386232563 /nfs/dbraw/zinc/23/25/63/386232563.db2.gz OFKBFTJNSFGLKR-NSHDSACASA-N 2 1 248.330 0.533 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC(C)(C)CC[NH3+])C1 ZINC000638355130 386247930 /nfs/dbraw/zinc/24/79/30/386247930.db2.gz FWIGKCZZHVVRER-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196131 /nfs/dbraw/zinc/19/61/31/386196131.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196137 /nfs/dbraw/zinc/19/61/37/386196137.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196141 /nfs/dbraw/zinc/19/61/41/386196141.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196145 /nfs/dbraw/zinc/19/61/45/386196145.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196150 /nfs/dbraw/zinc/19/61/50/386196150.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131149549 386197285 /nfs/dbraw/zinc/19/72/85/386197285.db2.gz KFXRMRJVXOCXHG-UHFFFAOYSA-N 2 1 247.342 0.971 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000133029250 386286046 /nfs/dbraw/zinc/28/60/46/386286046.db2.gz HRRZWHHQJCYMPZ-LBPRGKRZSA-N 2 1 243.420 0.719 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347294065 386294913 /nfs/dbraw/zinc/29/49/13/386294913.db2.gz QHNAWDOFTDVWAJ-BETUJISGSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347294065 386294914 /nfs/dbraw/zinc/29/49/14/386294914.db2.gz QHNAWDOFTDVWAJ-BETUJISGSA-N 2 1 244.379 0.536 20 0 BCADMP Cn1cncc1CC[N@H+](C1CC1)C1COC1 ZINC000298172986 386306852 /nfs/dbraw/zinc/30/68/52/386306852.db2.gz UMFCPRUMSWQAKY-UHFFFAOYSA-N 2 1 221.304 0.826 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739964 386318106 /nfs/dbraw/zinc/31/81/06/386318106.db2.gz CNUMLXHXAJGXRF-MDZLAQPJSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH2+]C)c1 ZINC000236875549 386320221 /nfs/dbraw/zinc/32/02/21/386320221.db2.gz ZJGQOBYKAQHBCI-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000236875505 386320674 /nfs/dbraw/zinc/32/06/74/386320674.db2.gz YAFHHFLRMDEXNM-UHFFFAOYSA-N 2 1 235.331 0.713 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336652092 386266062 /nfs/dbraw/zinc/26/60/62/386266062.db2.gz WJIQEXLHWPHMFP-RYUDHWBXSA-N 2 1 212.337 0.906 20 0 BCADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000647987578 386274584 /nfs/dbraw/zinc/27/45/84/386274584.db2.gz FNDNDOZQZFLGTQ-LBPRGKRZSA-N 3 1 229.368 0.018 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336683207 386343459 /nfs/dbraw/zinc/34/34/59/386343459.db2.gz JPNQICYHIAHXNE-VXGBXAGGSA-N 2 1 214.353 0.887 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746203 386344909 /nfs/dbraw/zinc/34/49/09/386344909.db2.gz RUTQQCRPDHRZJG-GRYCIOLGSA-N 2 1 224.348 0.831 20 0 BCADMP CC(C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000335278652 386346752 /nfs/dbraw/zinc/34/67/52/386346752.db2.gz LMBXBIRYJIWQEN-WDEREUQCSA-N 2 1 208.309 0.555 20 0 BCADMP CC(C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000335278652 386346758 /nfs/dbraw/zinc/34/67/58/386346758.db2.gz LMBXBIRYJIWQEN-WDEREUQCSA-N 2 1 208.309 0.555 20 0 BCADMP C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970047 386347464 /nfs/dbraw/zinc/34/74/64/386347464.db2.gz ZFKXSIJTYOOYBC-OCCSQVGLSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417547558 386348026 /nfs/dbraw/zinc/34/80/26/386348026.db2.gz HAXAFPLWDQPYNZ-NXEZZACHSA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000226396706 386386638 /nfs/dbraw/zinc/38/66/38/386386638.db2.gz OASMTCGHOTUGGY-ZJUUUORDSA-N 2 1 215.341 0.570 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335270358 386355583 /nfs/dbraw/zinc/35/55/83/386355583.db2.gz IXHJGENAIPKZSJ-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335270358 386355590 /nfs/dbraw/zinc/35/55/90/386355590.db2.gz IXHJGENAIPKZSJ-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP CO[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1OC ZINC000336692704 386366934 /nfs/dbraw/zinc/36/69/34/386366934.db2.gz HSDNEVWIHNIUQX-RWMBFGLXSA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1OC ZINC000336692704 386366935 /nfs/dbraw/zinc/36/69/35/386366935.db2.gz HSDNEVWIHNIUQX-RWMBFGLXSA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1OC ZINC000336692704 386366936 /nfs/dbraw/zinc/36/69/36/386366936.db2.gz HSDNEVWIHNIUQX-RWMBFGLXSA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1OC ZINC000336692704 386366937 /nfs/dbraw/zinc/36/69/37/386366937.db2.gz HSDNEVWIHNIUQX-RWMBFGLXSA-N 2 1 242.363 0.816 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890091 386368219 /nfs/dbraw/zinc/36/82/19/386368219.db2.gz PJYUTMWPUIFELU-QWRGUYRKSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000276863222 386384651 /nfs/dbraw/zinc/38/46/51/386384651.db2.gz BPVLKXGYMUAAKM-RYUDHWBXSA-N 2 1 249.358 0.970 20 0 BCADMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCC[NH3+] ZINC000414753120 386387574 /nfs/dbraw/zinc/38/75/74/386387574.db2.gz DBBBLSDAXVYNRH-QWRGUYRKSA-N 2 1 244.335 0.378 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414743559 386336206 /nfs/dbraw/zinc/33/62/06/386336206.db2.gz HIDLTOBFFYLGOG-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992609 386448230 /nfs/dbraw/zinc/44/82/30/386448230.db2.gz RIZUEMNSFVPHKA-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992609 386448232 /nfs/dbraw/zinc/44/82/32/386448232.db2.gz RIZUEMNSFVPHKA-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000414753215 386387818 /nfs/dbraw/zinc/38/78/18/386387818.db2.gz LXRPECMORBYHJA-CMPLNLGQSA-N 2 1 227.352 0.557 20 0 BCADMP COC[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647891620 386392756 /nfs/dbraw/zinc/39/27/56/386392756.db2.gz YLFDSOOLOLYILX-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347417952 386398263 /nfs/dbraw/zinc/39/82/63/386398263.db2.gz QHNTVHVSNSQIIM-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000336700916 386402287 /nfs/dbraw/zinc/40/22/87/386402287.db2.gz LOQUQYQMPMMNDM-NSHDSACASA-N 2 1 223.324 0.162 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000336700916 386402289 /nfs/dbraw/zinc/40/22/89/386402289.db2.gz LOQUQYQMPMMNDM-NSHDSACASA-N 2 1 223.324 0.162 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)CC[NH2+]1 ZINC000414759398 386411345 /nfs/dbraw/zinc/41/13/45/386411345.db2.gz OERQXWCSONKEJI-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442664128 386412299 /nfs/dbraw/zinc/41/22/99/386412299.db2.gz VQIKVSLFPZADAZ-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442664128 386412303 /nfs/dbraw/zinc/41/23/03/386412303.db2.gz VQIKVSLFPZADAZ-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414758722 386414538 /nfs/dbraw/zinc/41/45/38/386414538.db2.gz VNMAUARUKOCPPY-DGCLKSJQSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@@H+](CCN1C(=O)CCC1=O)CC(C)(C)C[NH3+] ZINC000093874376 386430847 /nfs/dbraw/zinc/43/08/47/386430847.db2.gz LNOWHQFVCKZJKR-UHFFFAOYSA-N 2 1 241.335 0.052 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]C1 ZINC000414766228 386434072 /nfs/dbraw/zinc/43/40/72/386434072.db2.gz HGUSKSVSVUMTLE-MJBXVCDLSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000299569258 386467277 /nfs/dbraw/zinc/46/72/77/386467277.db2.gz TYPWTGDRTDZLPE-QWRGUYRKSA-N 2 1 236.319 0.482 20 0 BCADMP C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN1C ZINC000299569258 386467282 /nfs/dbraw/zinc/46/72/82/386467282.db2.gz TYPWTGDRTDZLPE-QWRGUYRKSA-N 2 1 236.319 0.482 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417284874 386472832 /nfs/dbraw/zinc/47/28/32/386472832.db2.gz KLBVFHNUYLTPPD-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417285367 386475187 /nfs/dbraw/zinc/47/51/87/386475187.db2.gz LKMCPDMLGXTMTR-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417286446 386475789 /nfs/dbraw/zinc/47/57/89/386475789.db2.gz MXKDHLFRMPPUHX-GHMZBOCLSA-N 2 1 242.367 0.235 20 0 BCADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000417632819 386478097 /nfs/dbraw/zinc/47/80/97/386478097.db2.gz XIWYZYKOGBENLU-DTWKUNHWSA-N 2 1 228.340 0.116 20 0 BCADMP Cn1nnc2cc(C[N@@H+](C)C3CC([NH3+])C3)ccc21 ZINC000414777281 386479367 /nfs/dbraw/zinc/47/93/67/386479367.db2.gz ONGLALKPPPCQSD-UHFFFAOYSA-N 2 1 245.330 0.890 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@]1(C)CCCO1 ZINC000340359290 386481281 /nfs/dbraw/zinc/48/12/81/386481281.db2.gz OMDWXNNHHFKBEZ-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000340359290 386481286 /nfs/dbraw/zinc/48/12/86/386481286.db2.gz OMDWXNNHHFKBEZ-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000339628240 386495720 /nfs/dbraw/zinc/49/57/20/386495720.db2.gz RYLLOOVBQUWUHL-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000339628240 386495725 /nfs/dbraw/zinc/49/57/25/386495725.db2.gz RYLLOOVBQUWUHL-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)CO ZINC000339628240 386495731 /nfs/dbraw/zinc/49/57/31/386495731.db2.gz RYLLOOVBQUWUHL-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000339628240 386495737 /nfs/dbraw/zinc/49/57/37/386495737.db2.gz RYLLOOVBQUWUHL-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062114228 386503428 /nfs/dbraw/zinc/50/34/28/386503428.db2.gz YNBFXLFZBWQIIP-WDEREUQCSA-N 2 1 237.347 0.196 20 0 BCADMP [NH3+]CCC1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000519609691 386506344 /nfs/dbraw/zinc/50/63/44/386506344.db2.gz LGKJJWVQNXQGDZ-SNVBAGLBSA-N 2 1 243.376 0.236 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447622 386513532 /nfs/dbraw/zinc/51/35/32/386513532.db2.gz FGVNDUHRSHXJBX-WDEREUQCSA-N 3 1 209.337 0.409 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447622 386513536 /nfs/dbraw/zinc/51/35/36/386513536.db2.gz FGVNDUHRSHXJBX-WDEREUQCSA-N 3 1 209.337 0.409 20 0 BCADMP Cc1cn[nH]c1CN1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517446 /nfs/dbraw/zinc/51/74/46/386517446.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 1 208.309 0.889 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380738 386455788 /nfs/dbraw/zinc/45/57/88/386455788.db2.gz UXUOYTUWAYEYEF-LBPRGKRZSA-N 2 1 245.367 0.198 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000059931406 386463469 /nfs/dbraw/zinc/46/34/69/386463469.db2.gz RYQYUAPOYWYKQE-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417626999 386465902 /nfs/dbraw/zinc/46/59/02/386465902.db2.gz OXNZSARHDOWBLT-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH3+] ZINC000417698042 386574282 /nfs/dbraw/zinc/57/42/82/386574282.db2.gz IQJOJBPHRCJDIO-NSHDSACASA-N 2 1 242.367 0.509 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000335412047 386575374 /nfs/dbraw/zinc/57/53/74/386575374.db2.gz AOEYGZXBPTYHDF-LLVKDONJSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418730 386587926 /nfs/dbraw/zinc/58/79/26/386587926.db2.gz SXFJPEHXIUBHDT-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902560 386532132 /nfs/dbraw/zinc/53/21/32/386532132.db2.gz LXBXADPUNNTOBY-GXFFZTMASA-N 2 1 237.347 0.339 20 0 BCADMP C[N@@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910529 386533257 /nfs/dbraw/zinc/53/32/57/386533257.db2.gz VCFVIRFWTYHUAN-GFCCVEGCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415056528 386537521 /nfs/dbraw/zinc/53/75/21/386537521.db2.gz QYPBQKUWGPTRCQ-BJDJZHNGSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415056528 386537527 /nfs/dbraw/zinc/53/75/27/386537527.db2.gz QYPBQKUWGPTRCQ-BJDJZHNGSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415056528 386537533 /nfs/dbraw/zinc/53/75/33/386537533.db2.gz QYPBQKUWGPTRCQ-BJDJZHNGSA-N 2 1 211.353 0.796 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000647995357 386539505 /nfs/dbraw/zinc/53/95/05/386539505.db2.gz RBJQQLTWEGLVPV-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519707699 386540619 /nfs/dbraw/zinc/54/06/19/386540619.db2.gz FYUMCHOAHKYGKW-RYUDHWBXSA-N 3 1 213.369 0.949 20 0 BCADMP CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178380 386541377 /nfs/dbraw/zinc/54/13/77/386541377.db2.gz NWMNPVYXQURMMZ-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647995209 386544337 /nfs/dbraw/zinc/54/43/37/386544337.db2.gz FMLHHKZPTUHFEU-VXGBXAGGSA-N 2 1 235.335 0.525 20 0 BCADMP c1cn([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000647995208 386544418 /nfs/dbraw/zinc/54/44/18/386544418.db2.gz FMLHHKZPTUHFEU-RYUDHWBXSA-N 2 1 235.335 0.525 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321346 386547863 /nfs/dbraw/zinc/54/78/63/386547863.db2.gz JIINUHQGBYVVOU-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415068847 386551896 /nfs/dbraw/zinc/55/18/96/386551896.db2.gz NRBKAAFHHPFSCQ-DGCLKSJQSA-N 2 1 244.379 0.691 20 0 BCADMP COC(=O)c1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c[nH]1 ZINC000414792982 386552300 /nfs/dbraw/zinc/55/23/00/386552300.db2.gz JNDYBFWSWSOERK-JTQLQIEISA-N 2 1 239.319 0.874 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417691009 386558464 /nfs/dbraw/zinc/55/84/64/386558464.db2.gz WHGASBCUZGGCSF-SNVBAGLBSA-N 2 1 240.351 0.132 20 0 BCADMP CN(C)c1ncc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000415071681 386564600 /nfs/dbraw/zinc/56/46/00/386564600.db2.gz UGGHCLUKCGLQTI-UHFFFAOYSA-N 2 1 249.362 0.774 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205393 386569006 /nfs/dbraw/zinc/56/90/06/386569006.db2.gz ZFTCZEDJGNXLOT-CYBMUJFWSA-N 2 1 239.363 0.729 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903582 386569483 /nfs/dbraw/zinc/56/94/83/386569483.db2.gz MLVUMULLRUAJGS-STQMWFEESA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903582 386569490 /nfs/dbraw/zinc/56/94/90/386569490.db2.gz MLVUMULLRUAJGS-STQMWFEESA-N 2 1 241.379 0.426 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904263 386655572 /nfs/dbraw/zinc/65/55/72/386655572.db2.gz MRDQLRKOBNALTA-NSHDSACASA-N 2 1 213.325 0.054 20 0 BCADMP COC(=O)C1(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415105634 386625068 /nfs/dbraw/zinc/62/50/68/386625068.db2.gz MUKHFRKOYOMKCC-SECBINFHSA-N 2 1 212.293 0.281 20 0 BCADMP COC[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911779 386655881 /nfs/dbraw/zinc/65/58/81/386655881.db2.gz SMTMZPJSEROMGV-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP COC(=O)[C@@H]1CSCC[N@@H+](CCC[NH3+])C1 ZINC000415143546 386640867 /nfs/dbraw/zinc/64/08/67/386640867.db2.gz SUYHKJJBQRYATA-VIFPVBQESA-N 2 1 232.349 0.173 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042308885 386679398 /nfs/dbraw/zinc/67/93/98/386679398.db2.gz TXZCQXYIKAVAQL-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H](C)[NH3+] ZINC000335478233 386703097 /nfs/dbraw/zinc/70/30/97/386703097.db2.gz QXNKQSPHRKTEBP-GHMZBOCLSA-N 2 1 227.352 0.522 20 0 BCADMP Cn1cc([C@@H]2CC[N@@H+](CCOCC[NH3+])C2)cn1 ZINC000357091051 386714531 /nfs/dbraw/zinc/71/45/31/386714531.db2.gz VTNGYJOLTXOURF-LLVKDONJSA-N 2 1 238.335 0.185 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357253951 386747105 /nfs/dbraw/zinc/74/71/05/386747105.db2.gz XOUNVTPTMWGLGA-ONGXEEELSA-N 2 1 225.336 0.276 20 0 BCADMP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414842042 386747910 /nfs/dbraw/zinc/74/79/10/386747910.db2.gz OSSLPOQBMOSACT-VXGBXAGGSA-N 3 1 211.353 0.718 20 0 BCADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000417801750 386764576 /nfs/dbraw/zinc/76/45/76/386764576.db2.gz CZIJXYGVZNBSKD-MRVPVSSYSA-N 2 1 249.305 0.475 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]21 ZINC000125293197 386790458 /nfs/dbraw/zinc/79/04/58/386790458.db2.gz BMIGAZJTNRHFAK-ADEWGFFLSA-N 2 1 237.347 0.324 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC[NH2+]C ZINC000417806220 386787595 /nfs/dbraw/zinc/78/75/95/386787595.db2.gz AQXFERMRKZEHSY-UHFFFAOYSA-N 2 1 230.356 0.237 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417809259 386787836 /nfs/dbraw/zinc/78/78/36/386787836.db2.gz GSQZHUAHILSNAA-UHFFFAOYSA-N 2 1 244.383 0.755 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418000671 386818147 /nfs/dbraw/zinc/81/81/47/386818147.db2.gz JRPMIOZISLCSCU-MXWKQRLJSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NCCCC[NH3+])CCC[N@H+]1C ZINC000418001876 386819994 /nfs/dbraw/zinc/81/99/94/386819994.db2.gz LHSVKJZYNUJREQ-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000300011576 386802958 /nfs/dbraw/zinc/80/29/58/386802958.db2.gz PBJHKBRSPOEEHF-WCQYABFASA-N 2 1 236.363 0.892 20 0 BCADMP C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@H+]1C ZINC000417995309 386803695 /nfs/dbraw/zinc/80/36/95/386803695.db2.gz DCIWVOPFYACCMP-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)CO ZINC000293388351 386812181 /nfs/dbraw/zinc/81/21/81/386812181.db2.gz KIZTWTKTWDDMLQ-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)CO ZINC000293388351 386812187 /nfs/dbraw/zinc/81/21/87/386812187.db2.gz KIZTWTKTWDDMLQ-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000417994909 386812305 /nfs/dbraw/zinc/81/23/05/386812305.db2.gz CQPGRWNOMIFMQQ-DCAQKATOSA-N 2 1 242.367 0.506 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341002197 386814957 /nfs/dbraw/zinc/81/49/57/386814957.db2.gz NKBHXAJPAHFVHY-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000211764422 386831403 /nfs/dbraw/zinc/83/14/03/386831403.db2.gz DKMIAZCBSZVMSL-VHSXEESVSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000211764422 386831408 /nfs/dbraw/zinc/83/14/08/386831408.db2.gz DKMIAZCBSZVMSL-VHSXEESVSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000331470819 386857999 /nfs/dbraw/zinc/85/79/99/386857999.db2.gz MJOLDJPKBULCTI-UWVGGRQHSA-N 2 1 240.351 0.212 20 0 BCADMP C[NH2+]CCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000418006190 386863013 /nfs/dbraw/zinc/86/30/13/386863013.db2.gz BUMDSJVMNFXCQR-UHFFFAOYSA-N 2 1 240.351 0.157 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006955 386865998 /nfs/dbraw/zinc/86/59/98/386865998.db2.gz QQYHJHWXWYKTAM-GMTAPVOTSA-N 2 1 242.367 0.363 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000334837873 386880619 /nfs/dbraw/zinc/88/06/19/386880619.db2.gz OHYHRYFJSHHSHS-GHMZBOCLSA-N 2 1 229.393 0.375 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334839185 386882256 /nfs/dbraw/zinc/88/22/56/386882256.db2.gz YGNVINVTMFLDOG-ZDUSSCGKSA-N 3 1 223.364 0.801 20 0 BCADMP [NH3+]CC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334839185 386882260 /nfs/dbraw/zinc/88/22/60/386882260.db2.gz YGNVINVTMFLDOG-ZDUSSCGKSA-N 3 1 223.364 0.801 20 0 BCADMP C[NH+]1CCC([NH2+]CCn2cnnc2C2CC2)CC1 ZINC000358053087 386886849 /nfs/dbraw/zinc/88/68/49/386886849.db2.gz ZOELTZCIGLWFHZ-UHFFFAOYSA-N 2 1 249.362 0.839 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000341383494 386897421 /nfs/dbraw/zinc/89/74/21/386897421.db2.gz VPAZBYDMPRWHQB-LBPRGKRZSA-N 2 1 234.347 0.882 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386901986 /nfs/dbraw/zinc/90/19/86/386901986.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386901991 /nfs/dbraw/zinc/90/19/91/386901991.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386901993 /nfs/dbraw/zinc/90/19/93/386901993.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 2 1 224.348 0.927 20 0 BCADMP CN(Cc1nccn1C)c1cc[nH+]cc1C(N)=O ZINC000302241625 386920510 /nfs/dbraw/zinc/92/05/10/386920510.db2.gz YCTSWAPLOAZSRV-UHFFFAOYSA-N 2 1 245.286 0.550 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000341521253 386921112 /nfs/dbraw/zinc/92/11/12/386921112.db2.gz XWIQDKFHRDAXJD-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368003970 386928696 /nfs/dbraw/zinc/92/86/96/386928696.db2.gz ATXZZIPTQPUCFU-SECBINFHSA-N 2 1 249.305 0.394 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000334877926 386938348 /nfs/dbraw/zinc/93/83/48/386938348.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000334877926 386938356 /nfs/dbraw/zinc/93/83/56/386938356.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000334877926 386938360 /nfs/dbraw/zinc/93/83/60/386938360.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000334877926 386938362 /nfs/dbraw/zinc/93/83/62/386938362.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)C[C@@H](C)O1 ZINC000518995657 386979000 /nfs/dbraw/zinc/97/90/00/386979000.db2.gz DXLLQAJZMDKSAM-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000334928486 387003846 /nfs/dbraw/zinc/00/38/46/387003846.db2.gz DPZQWBZWDHLADM-UHFFFAOYSA-N 2 1 240.351 0.215 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336763092 386948464 /nfs/dbraw/zinc/94/84/64/386948464.db2.gz LXQFGKPVMLGAJZ-NEPJUHHUSA-N 2 1 232.368 0.560 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398998476 387035792 /nfs/dbraw/zinc/03/57/92/387035792.db2.gz BKLDRYRWUGVMHR-ZYHUDNBSSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398997404 387037332 /nfs/dbraw/zinc/03/73/32/387037332.db2.gz ATLMNCJNGOLPSY-NSHDSACASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404710 387038625 /nfs/dbraw/zinc/03/86/25/387038625.db2.gz OZVYQKFGUOCYKL-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404710 387038631 /nfs/dbraw/zinc/03/86/31/387038631.db2.gz OZVYQKFGUOCYKL-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399002977 387039085 /nfs/dbraw/zinc/03/90/85/387039085.db2.gz UNPCSBYJPIQQGV-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079619 387054855 /nfs/dbraw/zinc/05/48/55/387054855.db2.gz RGBJSPIUJZSCNR-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000228058591 387064193 /nfs/dbraw/zinc/06/41/93/387064193.db2.gz HKHRDHDGUACDAV-JQWIXIFHSA-N 2 1 228.336 0.210 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)N[C@H](C)C[NH3+])CC1 ZINC000418021421 387015768 /nfs/dbraw/zinc/01/57/68/387015768.db2.gz JIXZSNUXXAGTOL-LLVKDONJSA-N 2 1 240.351 0.285 20 0 BCADMP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333138461 387018724 /nfs/dbraw/zinc/01/87/24/387018724.db2.gz CRHFCXFVPZVQMZ-ZJUUUORDSA-N 2 1 240.351 0.130 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000519139093 387019227 /nfs/dbraw/zinc/01/92/27/387019227.db2.gz VBRYWYIXOULQAK-GFCCVEGCSA-N 2 1 223.364 0.668 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298586 387021530 /nfs/dbraw/zinc/02/15/30/387021530.db2.gz ITWXETUCGMFYHU-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000358842177 387021815 /nfs/dbraw/zinc/02/18/15/387021815.db2.gz WQTQURUGMKKYMM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000519165901 387024411 /nfs/dbraw/zinc/02/44/11/387024411.db2.gz IAOJOXKQWMIUQB-RVMXOQNASA-N 3 1 241.379 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000519165901 387024413 /nfs/dbraw/zinc/02/44/13/387024413.db2.gz IAOJOXKQWMIUQB-RVMXOQNASA-N 2 1 241.379 0.016 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882570 387025392 /nfs/dbraw/zinc/02/53/92/387025392.db2.gz PKUPXOQWRRPMQA-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CN(C)c1[nH+]cc(CN(C)CC[NH+](C)C)n1C ZINC000425378165 387029737 /nfs/dbraw/zinc/02/97/37/387029737.db2.gz IVWJXYAKCJNQOD-UHFFFAOYSA-N 2 1 239.367 0.480 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334983077 387070328 /nfs/dbraw/zinc/07/03/28/387070328.db2.gz CYUBTINZYAVQQZ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334983077 387070329 /nfs/dbraw/zinc/07/03/29/387070329.db2.gz CYUBTINZYAVQQZ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000111380599 387077969 /nfs/dbraw/zinc/07/79/69/387077969.db2.gz RALICVUTQVIZGI-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000228329745 387081258 /nfs/dbraw/zinc/08/12/58/387081258.db2.gz MIVYOKMNSPYMCG-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000228329745 387081262 /nfs/dbraw/zinc/08/12/62/387081262.db2.gz MIVYOKMNSPYMCG-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995259 387086735 /nfs/dbraw/zinc/08/67/35/387086735.db2.gz YNWKQWJRBKSSLJ-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995259 387086738 /nfs/dbraw/zinc/08/67/38/387086738.db2.gz YNWKQWJRBKSSLJ-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000111695940 387087308 /nfs/dbraw/zinc/08/73/08/387087308.db2.gz VGAJAENJJNTYIQ-DCAQKATOSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000111695940 387087314 /nfs/dbraw/zinc/08/73/14/387087314.db2.gz VGAJAENJJNTYIQ-DCAQKATOSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427479 387090072 /nfs/dbraw/zinc/09/00/72/387090072.db2.gz JCUVMXKRIYZZJO-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147686 387094670 /nfs/dbraw/zinc/09/46/70/387094670.db2.gz UFJRPTZJWCJOQR-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147686 387094672 /nfs/dbraw/zinc/09/46/72/387094672.db2.gz UFJRPTZJWCJOQR-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147688 387095346 /nfs/dbraw/zinc/09/53/46/387095346.db2.gz UFJRPTZJWCJOQR-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147688 387095350 /nfs/dbraw/zinc/09/53/50/387095350.db2.gz UFJRPTZJWCJOQR-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC000425970926 387097264 /nfs/dbraw/zinc/09/72/64/387097264.db2.gz KRSZTLJCARMHAO-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC000425970926 387097270 /nfs/dbraw/zinc/09/72/70/387097270.db2.gz KRSZTLJCARMHAO-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC000425970926 387097276 /nfs/dbraw/zinc/09/72/76/387097276.db2.gz KRSZTLJCARMHAO-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH3+])C1CC1 ZINC000417434092 387097897 /nfs/dbraw/zinc/09/78/97/387097897.db2.gz WRBRIWQHXRQOTC-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CC[NH3+])C1CC1 ZINC000417428394 387099167 /nfs/dbraw/zinc/09/91/67/387099167.db2.gz KWULVZBVOBXPRC-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000334946374 387108305 /nfs/dbraw/zinc/10/83/05/387108305.db2.gz WUNYXDADIJLCRZ-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334950558 387113971 /nfs/dbraw/zinc/11/39/71/387113971.db2.gz IFAOGZWYIOLGKR-ONGXEEELSA-N 2 1 246.330 0.067 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074260 387117085 /nfs/dbraw/zinc/11/70/85/387117085.db2.gz HDSXYVSZZGJDBG-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335029397 387123970 /nfs/dbraw/zinc/12/39/70/387123970.db2.gz KBZJHBRAPXRMTG-NEPJUHHUSA-N 2 1 223.364 0.812 20 0 BCADMP C[C@@]1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361257 387192594 /nfs/dbraw/zinc/19/25/94/387192594.db2.gz IACGHLWPEFFECB-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361257 387192597 /nfs/dbraw/zinc/19/25/97/387192597.db2.gz IACGHLWPEFFECB-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP CCC[NH2+]CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000423313497 387152306 /nfs/dbraw/zinc/15/23/06/387152306.db2.gz ULYKANSQSRJLDP-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423319644 387161268 /nfs/dbraw/zinc/16/12/68/387161268.db2.gz CQBPAKHDWOSNJG-WCQYABFASA-N 2 1 241.379 0.295 20 0 BCADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423343257 387193111 /nfs/dbraw/zinc/19/31/11/387193111.db2.gz ZQDQRAUDVJJEML-NXEZZACHSA-N 2 1 246.318 0.660 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000423327478 387169997 /nfs/dbraw/zinc/16/99/97/387169997.db2.gz RQMYRDWBKZLCRY-DLOVCJGASA-N 2 1 211.353 0.654 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000062911906 387173378 /nfs/dbraw/zinc/17/33/78/387173378.db2.gz DPLZWVHRLILAIE-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334053 387181372 /nfs/dbraw/zinc/18/13/72/387181372.db2.gz FLRPIYOICYVCBR-NMKXLXIOSA-N 2 1 249.358 0.481 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261766 387184246 /nfs/dbraw/zinc/18/42/46/387184246.db2.gz CRMCSGUUJVWIQA-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+]CCCN1CC[C@H](N2CCOCC2)C1 ZINC000062973801 387190131 /nfs/dbraw/zinc/19/01/31/387190131.db2.gz AKERNQVAZZFHDL-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986246 387137235 /nfs/dbraw/zinc/13/72/35/387137235.db2.gz JLRNASZCEPXMEN-RYUDHWBXSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986246 387137241 /nfs/dbraw/zinc/13/72/41/387137241.db2.gz JLRNASZCEPXMEN-RYUDHWBXSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000353109430 387139954 /nfs/dbraw/zinc/13/99/54/387139954.db2.gz GWVNPQYRCOYVQW-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423350590 387203812 /nfs/dbraw/zinc/20/38/12/387203812.db2.gz ZUQTYGBNEVJGSZ-SFYZADRCSA-N 2 1 207.268 0.311 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000300418291 387208951 /nfs/dbraw/zinc/20/89/51/387208951.db2.gz MVMGRKJPDCPJBB-ZDEQEGDKSA-N 2 1 244.379 0.966 20 0 BCADMP CN(C)c1nc(N(C)CC[NH+](C)C)cc[nH+]1 ZINC000353469406 387209749 /nfs/dbraw/zinc/20/97/49/387209749.db2.gz BPJPACUSCSJYHP-UHFFFAOYSA-N 2 1 223.324 0.540 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423358472 387210136 /nfs/dbraw/zinc/21/01/36/387210136.db2.gz NKGPZKOINXECST-TUAOUCFPSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000423361702 387213768 /nfs/dbraw/zinc/21/37/68/387213768.db2.gz MMICHEJUQDNEQJ-WYUUTHIRSA-N 2 1 212.337 0.999 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH3+] ZINC000572015996 387213861 /nfs/dbraw/zinc/21/38/61/387213861.db2.gz ZORFQDQTPOVSSP-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CC[N@H+](CC(=O)N1CCN(C)CC1)CC(C)C ZINC000093158939 387217215 /nfs/dbraw/zinc/21/72/15/387217215.db2.gz DMWNCBASRYYQAQ-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423426304 387252932 /nfs/dbraw/zinc/25/29/32/387252932.db2.gz HPHJOAWTOXFGQH-HHHUOAJASA-N 2 1 209.337 0.134 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC(O)C1 ZINC000353500963 387218819 /nfs/dbraw/zinc/21/88/19/387218819.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 2 1 212.337 0.926 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC(O)C1 ZINC000353500963 387218824 /nfs/dbraw/zinc/21/88/24/387218824.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC(O)C1 ZINC000353500963 387218830 /nfs/dbraw/zinc/21/88/30/387218830.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CC(O)C1 ZINC000353500963 387218832 /nfs/dbraw/zinc/21/88/32/387218832.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 2 1 212.337 0.926 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000418204462 387219106 /nfs/dbraw/zinc/21/91/06/387219106.db2.gz PPTTUVNGQDCIAK-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP COC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423426668 387253221 /nfs/dbraw/zinc/25/32/21/387253221.db2.gz NHBXVZFXCKLBOG-OLZOCXBDSA-N 2 1 242.363 0.770 20 0 BCADMP CCN(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147851 387244146 /nfs/dbraw/zinc/24/41/46/387244146.db2.gz RNOAMHLDVAQGKX-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP COC[C@]1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000423422870 387250604 /nfs/dbraw/zinc/25/06/04/387250604.db2.gz ZIZCFOBBZGDCQN-RWMBFGLXSA-N 2 1 242.363 0.912 20 0 BCADMP CC[N@H+]1C[C@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000423347351 387197921 /nfs/dbraw/zinc/19/79/21/387197921.db2.gz QFIBEFHFYGRGMI-IUCAKERBSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@@H+]1C[C@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000423347351 387197924 /nfs/dbraw/zinc/19/79/24/387197924.db2.gz QFIBEFHFYGRGMI-IUCAKERBSA-N 2 1 221.295 0.510 20 0 BCADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)CN ZINC000423349830 387199532 /nfs/dbraw/zinc/19/95/32/387199532.db2.gz XSQFVVWXUKQGKQ-MRVPVSSYSA-N 2 1 209.284 0.688 20 0 BCADMP C[C@H](CCCC[NH3+])NCC(F)(F)C[NH3+] ZINC000423349830 387199540 /nfs/dbraw/zinc/19/95/40/387199540.db2.gz XSQFVVWXUKQGKQ-MRVPVSSYSA-N 2 1 209.284 0.688 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377568 387259516 /nfs/dbraw/zinc/25/95/16/387259516.db2.gz YZHOHFGNCYJXIX-YVECIDJPSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378772 387260950 /nfs/dbraw/zinc/26/09/50/387260950.db2.gz ZVFUBLCUTNALFJ-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378772 387260955 /nfs/dbraw/zinc/26/09/55/387260955.db2.gz ZVFUBLCUTNALFJ-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000352511879 387268124 /nfs/dbraw/zinc/26/81/24/387268124.db2.gz UCDLKMPKGBRVIW-GFCCVEGCSA-N 2 1 239.363 0.812 20 0 BCADMP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@@H+](C)C1CC1 ZINC000423385500 387268508 /nfs/dbraw/zinc/26/85/08/387268508.db2.gz QVAWMYLEFDQWGM-CWSCBRNRSA-N 2 1 237.347 0.337 20 0 BCADMP C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423387838 387272328 /nfs/dbraw/zinc/27/23/28/387272328.db2.gz KEWAWQUWCVOZFK-WISYIIOYSA-N 2 1 213.369 0.913 20 0 BCADMP CC[N@@H+](CCNC(=O)CC1(C[NH3+])CC1)C(C)C ZINC000423392204 387277829 /nfs/dbraw/zinc/27/78/29/387277829.db2.gz LKHSRZHCZFORKO-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP O=C(N1CC[N@H+]2CCC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392335 387278158 /nfs/dbraw/zinc/27/81/58/387278158.db2.gz QFIYQSPKMRTAHL-MDZLAQPJSA-N 2 1 235.331 0.045 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246136 387279503 /nfs/dbraw/zinc/27/95/03/387279503.db2.gz PHCMHIOLXOYVMV-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000572243108 387286486 /nfs/dbraw/zinc/28/64/86/387286486.db2.gz MBYKMUJQKQGDAT-CYBMUJFWSA-N 3 1 225.380 0.917 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423527261 387354989 /nfs/dbraw/zinc/35/49/89/387354989.db2.gz VNWUIQUKRJITJF-QWRGUYRKSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423527263 387356039 /nfs/dbraw/zinc/35/60/39/387356039.db2.gz VNWUIQUKRJITJF-WDEREUQCSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000423532486 387358670 /nfs/dbraw/zinc/35/86/70/387358670.db2.gz ZQOVTZZZCJROAD-NQBHXWOUSA-N 2 1 239.363 0.190 20 0 BCADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643503027 387368695 /nfs/dbraw/zinc/36/86/95/387368695.db2.gz ZEEAMYDBWIMRLE-GHMZBOCLSA-N 2 1 239.363 0.775 20 0 BCADMP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643503027 387368698 /nfs/dbraw/zinc/36/86/98/387368698.db2.gz ZEEAMYDBWIMRLE-GHMZBOCLSA-N 2 1 239.363 0.775 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544422 387368767 /nfs/dbraw/zinc/36/87/67/387368767.db2.gz CZZUSDIUWYTGML-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546997 387371059 /nfs/dbraw/zinc/37/10/59/387371059.db2.gz ZWBCXAWOUQGCPV-DGCLKSJQSA-N 3 1 223.364 0.884 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546996 387371497 /nfs/dbraw/zinc/37/14/97/387371497.db2.gz ZWBCXAWOUQGCPV-AAEUAGOBSA-N 3 1 223.364 0.884 20 0 BCADMP CC[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423479933 387327204 /nfs/dbraw/zinc/32/72/04/387327204.db2.gz VQCVKAFCXLSNMC-JBLDHEPKSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423494395 387337806 /nfs/dbraw/zinc/33/78/06/387337806.db2.gz DDBSQFIOVVPFCR-KXNHARMFSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1(C)CC1 ZINC000423509759 387344495 /nfs/dbraw/zinc/34/44/95/387344495.db2.gz JFKSSZPCZWEZKE-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1(C)CC1 ZINC000423509761 387344838 /nfs/dbraw/zinc/34/48/38/387344838.db2.gz JFKSSZPCZWEZKE-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000423517176 387351261 /nfs/dbraw/zinc/35/12/61/387351261.db2.gz OAXHBBVYYMQCMD-NWDGAFQWSA-N 2 1 229.368 0.151 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@H](C)[NH3+] ZINC000423779061 387425912 /nfs/dbraw/zinc/42/59/12/387425912.db2.gz UMHGEYGTBPUVBB-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP COC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374166305 387427942 /nfs/dbraw/zinc/42/79/42/387427942.db2.gz WOKFMETVZOETEW-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374166305 387427944 /nfs/dbraw/zinc/42/79/44/387427944.db2.gz WOKFMETVZOETEW-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837653 387433964 /nfs/dbraw/zinc/43/39/64/387433964.db2.gz BGEKEDAIMDWROR-PWSUYJOCSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423848658 387434828 /nfs/dbraw/zinc/43/48/28/387434828.db2.gz OIFNUKBAQVDKPH-LLVKDONJSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837567 387435034 /nfs/dbraw/zinc/43/50/34/387435034.db2.gz AOPWKGNJTWYTTQ-SNVBAGLBSA-N 2 1 227.352 0.395 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1([NH3+])CCC1 ZINC000423839260 387435230 /nfs/dbraw/zinc/43/52/30/387435230.db2.gz CXINVZIUMXYFAG-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423842126 387435425 /nfs/dbraw/zinc/43/54/25/387435425.db2.gz GMEZCGOUEPJXPD-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423855060 387436428 /nfs/dbraw/zinc/43/64/28/387436428.db2.gz WNMONYOKIASBCG-JTQLQIEISA-N 2 1 227.352 0.666 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000423855439 387436609 /nfs/dbraw/zinc/43/66/09/387436609.db2.gz XDQMMDZVLJUPOH-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000423852548 387437116 /nfs/dbraw/zinc/43/71/16/387437116.db2.gz SIXVNFMGUQQADI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423855962 387437346 /nfs/dbraw/zinc/43/73/46/387437346.db2.gz XPQYDQDMXQAXFW-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000354985266 387459930 /nfs/dbraw/zinc/45/99/30/387459930.db2.gz SAEMJKADUYFSEO-STQMWFEESA-N 2 1 242.363 0.864 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373860255 387399602 /nfs/dbraw/zinc/39/96/02/387399602.db2.gz SAYNDEVTJBEFFE-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP CCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000354985264 387460540 /nfs/dbraw/zinc/46/05/40/387460540.db2.gz SAEMJKADUYFSEO-OLZOCXBDSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000648123958 387414635 /nfs/dbraw/zinc/41/46/35/387414635.db2.gz MSNCVYZLNSGHKO-KKOKHZNYSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000423769990 387418541 /nfs/dbraw/zinc/41/85/41/387418541.db2.gz GSPXXSMGUOXOFC-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000423773111 387420483 /nfs/dbraw/zinc/42/04/83/387420483.db2.gz MGCOEWMSXBURGS-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122342594 387514131 /nfs/dbraw/zinc/51/41/31/387514131.db2.gz AZNPPFYCNAKKPC-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122342594 387514138 /nfs/dbraw/zinc/51/41/38/387514138.db2.gz AZNPPFYCNAKKPC-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+](CC(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000077418208 387514770 /nfs/dbraw/zinc/51/47/70/387514770.db2.gz UZRFYZVGAKOHFA-ZDUSSCGKSA-N 2 1 247.342 0.597 20 0 BCADMP C[N@@H+](CC(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000077418208 387514772 /nfs/dbraw/zinc/51/47/72/387514772.db2.gz UZRFYZVGAKOHFA-ZDUSSCGKSA-N 2 1 247.342 0.597 20 0 BCADMP C[N@@H+](CCCCCF)CC(=O)N1CC[NH2+]CC1 ZINC000310150471 387534142 /nfs/dbraw/zinc/53/41/42/387534142.db2.gz HAYKELNBUZEUGN-UHFFFAOYSA-N 2 1 245.342 0.490 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422015501 387537736 /nfs/dbraw/zinc/53/77/36/387537736.db2.gz FORQTEIMHFCDQE-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424007343 387465780 /nfs/dbraw/zinc/46/57/80/387465780.db2.gz VGRGZBPXHCQTEH-NEPJUHHUSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]1C[C@@H](NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000643507035 387474132 /nfs/dbraw/zinc/47/41/32/387474132.db2.gz QHDRALUKWTWPNE-ZYHUDNBSSA-N 2 1 223.364 0.953 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000396743060 387487909 /nfs/dbraw/zinc/48/79/09/387487909.db2.gz UJIYVQQKLFPUKQ-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736004 387595057 /nfs/dbraw/zinc/59/50/57/387595057.db2.gz RSALLRSFYKULGN-GVXVVHGQSA-N 2 1 223.364 0.953 20 0 BCADMP C(N[C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000527531326 387601935 /nfs/dbraw/zinc/60/19/35/387601935.db2.gz DWCRGRJSQWVDFH-GFCCVEGCSA-N 2 1 223.364 0.860 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424127892 387604203 /nfs/dbraw/zinc/60/42/03/387604203.db2.gz DQMGAIRZEWIMIR-AXFHLTTASA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636569 387612694 /nfs/dbraw/zinc/61/26/94/387612694.db2.gz NCZGCUWIHLBNOJ-GRYCIOLGSA-N 3 1 229.368 0.267 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000430548571 387627195 /nfs/dbraw/zinc/62/71/95/387627195.db2.gz CEESHXKSFUHDCI-GFCCVEGCSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000430548571 387627197 /nfs/dbraw/zinc/62/71/97/387627197.db2.gz CEESHXKSFUHDCI-GFCCVEGCSA-N 2 1 239.363 0.858 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000426347158 387558191 /nfs/dbraw/zinc/55/81/91/387558191.db2.gz RZTVJVGCYJJCAR-QCNOEVLYSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399634302 387563499 /nfs/dbraw/zinc/56/34/99/387563499.db2.gz HNRNNKUILQIKRC-UTUOFQBUSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399634302 387563504 /nfs/dbraw/zinc/56/35/04/387563504.db2.gz HNRNNKUILQIKRC-UTUOFQBUSA-N 2 1 241.379 0.768 20 0 BCADMP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(C2CC2)C1=O ZINC000430603628 387633353 /nfs/dbraw/zinc/63/33/53/387633353.db2.gz YVXUHQNADADQHY-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(C2CC2)C1=O ZINC000430603628 387633358 /nfs/dbraw/zinc/63/33/58/387633358.db2.gz YVXUHQNADADQHY-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725660 387635377 /nfs/dbraw/zinc/63/53/77/387635377.db2.gz YJTNVIZOFUKESZ-NEPJUHHUSA-N 3 1 225.380 0.916 20 0 BCADMP Cc1cccc(NCCNC(=O)CC[NH3+])[nH+]1 ZINC000430715404 387642918 /nfs/dbraw/zinc/64/29/18/387642918.db2.gz ADLJKGKBDRKTAA-UHFFFAOYSA-N 2 1 222.292 0.267 20 0 BCADMP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738354 387645245 /nfs/dbraw/zinc/64/52/45/387645245.db2.gz JOIBROQQBKTSFF-ADEWGFFLSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738358 387646735 /nfs/dbraw/zinc/64/67/35/387646735.db2.gz JOIBROQQBKTSFF-YUSALJHKSA-N 2 1 211.353 0.939 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000430739474 387647635 /nfs/dbraw/zinc/64/76/35/387647635.db2.gz HMZYIDYEKRSSII-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000430782386 387652626 /nfs/dbraw/zinc/65/26/26/387652626.db2.gz IKYNDNUDLLEAKS-NWDGAFQWSA-N 2 1 241.379 0.770 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)C[NH3+] ZINC000430800157 387653546 /nfs/dbraw/zinc/65/35/46/387653546.db2.gz PFPXQSJCMFYCDB-UHFFFAOYSA-N 2 1 210.281 0.047 20 0 BCADMP CN(C(=O)CC[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430901036 387659190 /nfs/dbraw/zinc/65/91/90/387659190.db2.gz RWQVXNBMDKWMPR-SNVBAGLBSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]1C[N@@H+](CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919580 387659748 /nfs/dbraw/zinc/65/97/48/387659748.db2.gz LRJNCNGQJAOXFF-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430920480 387659993 /nfs/dbraw/zinc/65/99/93/387659993.db2.gz PFQOVQKIFFPYQQ-GRYCIOLGSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430920480 387659998 /nfs/dbraw/zinc/65/99/98/387659998.db2.gz PFQOVQKIFFPYQQ-GRYCIOLGSA-N 2 1 241.379 0.911 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422757860 387660910 /nfs/dbraw/zinc/66/09/10/387660910.db2.gz IIOPZVADWQHJKI-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)[C@H]1CCC[NH2+]1 ZINC000422765116 387666280 /nfs/dbraw/zinc/66/62/80/387666280.db2.gz QFHYMGFGWPJTMD-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431014722 387670250 /nfs/dbraw/zinc/67/02/50/387670250.db2.gz LDFRRBXYLHEUAT-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019072 387670746 /nfs/dbraw/zinc/67/07/46/387670746.db2.gz KPMGYJUXPFQRJC-ONGXEEELSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431014720 387670801 /nfs/dbraw/zinc/67/08/01/387670801.db2.gz LDFRRBXYLHEUAT-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424138564 387672102 /nfs/dbraw/zinc/67/21/02/387672102.db2.gz DGCJQGRONRICKW-YTWAJWBKSA-N 2 1 225.336 0.275 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000431032259 387673396 /nfs/dbraw/zinc/67/33/96/387673396.db2.gz ILQMUVYMCQHWCY-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422777190 387675415 /nfs/dbraw/zinc/67/54/15/387675415.db2.gz FQJLDNMVRDCVCW-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422786550 387687036 /nfs/dbraw/zinc/68/70/36/387687036.db2.gz SMAFJRYAVKQAPL-STQMWFEESA-N 2 1 243.395 0.542 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422787278 387687177 /nfs/dbraw/zinc/68/71/77/387687177.db2.gz UMNJASSIMBJYSK-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP COCCCN(C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422787278 387687178 /nfs/dbraw/zinc/68/71/78/387687178.db2.gz UMNJASSIMBJYSK-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363106244 387688329 /nfs/dbraw/zinc/68/83/29/387688329.db2.gz GAQFPZDZFTZQBC-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422791415 387692356 /nfs/dbraw/zinc/69/23/56/387692356.db2.gz YJBUOAXNECYGDC-NEPJUHHUSA-N 2 1 231.384 0.670 20 0 BCADMP COCCCN(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422791415 387692362 /nfs/dbraw/zinc/69/23/62/387692362.db2.gz YJBUOAXNECYGDC-NEPJUHHUSA-N 2 1 231.384 0.670 20 0 BCADMP CC[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422871472 387748439 /nfs/dbraw/zinc/74/84/39/387748439.db2.gz YZPFMBUKCOGNLH-UTUOFQBUSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(-n2cnnn2)c1 ZINC000643525709 387752696 /nfs/dbraw/zinc/75/26/96/387752696.db2.gz CDSKNXSTZYAFFG-VHSXEESVSA-N 2 1 246.318 0.660 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143906 387754361 /nfs/dbraw/zinc/75/43/61/387754361.db2.gz KCXQGCLFFFSVKN-YFKTTZPYSA-N 2 1 237.347 0.419 20 0 BCADMP CC[N@@H+](CC(=O)NC1CN(C(C)C)C1)C1CC1 ZINC000431394295 387705994 /nfs/dbraw/zinc/70/59/94/387705994.db2.gz XRGGXTGJESNMEJ-UHFFFAOYSA-N 2 1 239.363 0.680 20 0 BCADMP COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000127336694 387710787 /nfs/dbraw/zinc/71/07/87/387710787.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127336694 387710789 /nfs/dbraw/zinc/71/07/89/387710789.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127336694 387710796 /nfs/dbraw/zinc/71/07/96/387710796.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143904 387755392 /nfs/dbraw/zinc/75/53/92/387755392.db2.gz KCXQGCLFFFSVKN-KXNHARMFSA-N 2 1 237.347 0.419 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142007 387719405 /nfs/dbraw/zinc/71/94/05/387719405.db2.gz HQBLYCIDLXBQOU-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143905 387755510 /nfs/dbraw/zinc/75/55/10/387755510.db2.gz KCXQGCLFFFSVKN-QCNOEVLYSA-N 2 1 237.347 0.419 20 0 BCADMP C[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431619110 387721492 /nfs/dbraw/zinc/72/14/92/387721492.db2.gz FSIGCXNUZWXPAK-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422789517 387732916 /nfs/dbraw/zinc/73/29/16/387732916.db2.gz TYZSXDXIFXXUQX-USZNOCQGSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000422848607 387734824 /nfs/dbraw/zinc/73/48/24/387734824.db2.gz AXYINMFMNVBZLU-MXWKQRLJSA-N 2 1 209.337 0.563 20 0 BCADMP C[C@H](C(N)=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129166982 387764163 /nfs/dbraw/zinc/76/41/63/387764163.db2.gz VHXQEZBMLBCMGJ-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422927714 387780127 /nfs/dbraw/zinc/78/01/27/387780127.db2.gz ZWNUTWATGFDFEH-TUAOUCFPSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCOC2)CCCO1 ZINC000432344820 387783478 /nfs/dbraw/zinc/78/34/78/387783478.db2.gz FTJYNKAHMYGPFO-STQMWFEESA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC2)CCCO1 ZINC000432344820 387783483 /nfs/dbraw/zinc/78/34/83/387783483.db2.gz FTJYNKAHMYGPFO-STQMWFEESA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422980506 387790814 /nfs/dbraw/zinc/79/08/14/387790814.db2.gz PYVHPKBOPBRCRQ-ADEWGFFLSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422980414 387791928 /nfs/dbraw/zinc/79/19/28/387791928.db2.gz PJURWBWCSVZRIM-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982687 387793082 /nfs/dbraw/zinc/79/30/82/387793082.db2.gz XOALQIKERPSRCO-YUSALJHKSA-N 2 1 212.337 0.735 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422981609 387793296 /nfs/dbraw/zinc/79/32/96/387793296.db2.gz TXPYLUDXLFFLPZ-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988087 387797993 /nfs/dbraw/zinc/79/79/93/387797993.db2.gz ICTIXDATTJJFBX-LPWJVIDDSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988087 387797997 /nfs/dbraw/zinc/79/79/97/387797997.db2.gz ICTIXDATTJJFBX-LPWJVIDDSA-N 2 1 225.380 0.914 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309488104 387805568 /nfs/dbraw/zinc/80/55/68/387805568.db2.gz XOOKAYUGKGQICU-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309488104 387805574 /nfs/dbraw/zinc/80/55/74/387805574.db2.gz XOOKAYUGKGQICU-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422959841 387811067 /nfs/dbraw/zinc/81/10/67/387811067.db2.gz ABPKXFPVVOCPKM-QWRGUYRKSA-N 2 1 241.379 0.736 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000442667705 387820133 /nfs/dbraw/zinc/82/01/33/387820133.db2.gz ZRDLKLVNBDQFIP-WOPDTQHZSA-N 2 1 213.369 0.996 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1CCCC[NH2+]1 ZINC000422973582 387822699 /nfs/dbraw/zinc/82/26/99/387822699.db2.gz CDAMGGJCKPPXAC-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422973608 387823789 /nfs/dbraw/zinc/82/37/89/387823789.db2.gz CGXXISWLLRKCGK-LNFKQOIKSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423007386 387829431 /nfs/dbraw/zinc/82/94/31/387829431.db2.gz QPFLKGQDLBDNEW-GMTAPVOTSA-N 2 1 200.326 0.593 20 0 BCADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000643459009 387830060 /nfs/dbraw/zinc/83/00/60/387830060.db2.gz DIJFFDUEOXYSNW-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423008953 387831320 /nfs/dbraw/zinc/83/13/20/387831320.db2.gz UXDTYQQPPDBUAA-MNOVXSKESA-N 2 1 214.353 0.983 20 0 BCADMP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423072857 387873283 /nfs/dbraw/zinc/87/32/83/387873283.db2.gz QDVUCOOEBUHNII-STQMWFEESA-N 3 1 243.395 0.685 20 0 BCADMP C[C@H](CO)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423015507 387838219 /nfs/dbraw/zinc/83/82/19/387838219.db2.gz RHDDVKNATFCXCJ-TUAOUCFPSA-N 2 1 214.353 0.983 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160762 387839658 /nfs/dbraw/zinc/83/96/58/387839658.db2.gz UPAJEBBNTMWIGX-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423031331 387846773 /nfs/dbraw/zinc/84/67/73/387846773.db2.gz XBXKOAXTRXBXPO-USZNOCQGSA-N 2 1 239.363 0.489 20 0 BCADMP CC[NH+](CC)CCOCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423029441 387846900 /nfs/dbraw/zinc/84/69/00/387846900.db2.gz AHNONIAUKPBVFO-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H]1N ZINC000423029441 387846905 /nfs/dbraw/zinc/84/69/05/387846905.db2.gz AHNONIAUKPBVFO-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423029442 387847209 /nfs/dbraw/zinc/84/72/09/387847209.db2.gz AHNONIAUKPBVFO-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000423029442 387847212 /nfs/dbraw/zinc/84/72/12/387847212.db2.gz AHNONIAUKPBVFO-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423037179 387850704 /nfs/dbraw/zinc/85/07/04/387850704.db2.gz VPOQEPLEDTUYLG-YTWAJWBKSA-N 2 1 200.326 0.876 20 0 BCADMP CC[NH+](CC)CCOCCN[C@@H](C)C1C[NH2+]C1 ZINC000423037859 387850753 /nfs/dbraw/zinc/85/07/53/387850753.db2.gz NHUGMRWGJNZHHR-LBPRGKRZSA-N 2 1 243.395 0.542 20 0 BCADMP C[C@@H]1[C@@H](NC2CC[NH2+]CC2)CCC[N@H+]1C ZINC000423036415 387851923 /nfs/dbraw/zinc/85/19/23/387851923.db2.gz TZOWDYWYQQUECS-PWSUYJOCSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH2+]CC2)CCCN1C ZINC000423036415 387851928 /nfs/dbraw/zinc/85/19/28/387851928.db2.gz TZOWDYWYQQUECS-PWSUYJOCSA-N 2 1 211.353 0.811 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C1 ZINC000193653143 387857678 /nfs/dbraw/zinc/85/76/78/387857678.db2.gz JDARZCVFFZLCMY-OKILXGFUSA-N 2 1 237.391 0.966 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536231 387867092 /nfs/dbraw/zinc/86/70/92/387867092.db2.gz OVTRGLBLWWYHFQ-UTUOFQBUSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000643536231 387867095 /nfs/dbraw/zinc/86/70/95/387867095.db2.gz OVTRGLBLWWYHFQ-UTUOFQBUSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000648712280 387872317 /nfs/dbraw/zinc/87/23/17/387872317.db2.gz JHISTKSBGRHHLD-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648712280 387872320 /nfs/dbraw/zinc/87/23/20/387872320.db2.gz JHISTKSBGRHHLD-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648712280 387872322 /nfs/dbraw/zinc/87/23/22/387872322.db2.gz JHISTKSBGRHHLD-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000442659391 387814247 /nfs/dbraw/zinc/81/42/47/387814247.db2.gz BMHPGKWBHCYAFI-QWRGUYRKSA-N 2 1 223.324 0.337 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000442659391 387814252 /nfs/dbraw/zinc/81/42/52/387814252.db2.gz BMHPGKWBHCYAFI-QWRGUYRKSA-N 2 1 223.324 0.337 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422968140 387815533 /nfs/dbraw/zinc/81/55/33/387815533.db2.gz QKSGRAQFYVCLCC-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000442660098 387818017 /nfs/dbraw/zinc/81/80/17/387818017.db2.gz LYCAJYHXLQJNHZ-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000442660098 387818021 /nfs/dbraw/zinc/81/80/21/387818021.db2.gz LYCAJYHXLQJNHZ-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CC[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418317944 387819649 /nfs/dbraw/zinc/81/96/49/387819649.db2.gz OEGHKMCOJNOUHX-PHIMTYICSA-N 2 1 242.367 0.330 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000424174996 387879234 /nfs/dbraw/zinc/87/92/34/387879234.db2.gz OZJQLFCDHUBVBL-USZNOCQGSA-N 2 1 237.347 0.276 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424178563 387888521 /nfs/dbraw/zinc/88/85/21/387888521.db2.gz WYOVBVLISIBFKW-MNOVXSKESA-N 2 1 236.319 0.387 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000236945367 387913096 /nfs/dbraw/zinc/91/30/96/387913096.db2.gz GRINEVBNOZFNKF-LLVKDONJSA-N 2 1 229.368 0.960 20 0 BCADMP Cc1nccnc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423139670 387917563 /nfs/dbraw/zinc/91/75/63/387917563.db2.gz WFYHKMJYPOERER-GXFFZTMASA-N 2 1 234.347 0.915 20 0 BCADMP COc1nccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423145314 387922126 /nfs/dbraw/zinc/92/21/26/387922126.db2.gz KBKVNXUWHNBOEG-GXSJLCMTSA-N 2 1 236.319 0.702 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@H+]1CCO ZINC000423149579 387927151 /nfs/dbraw/zinc/92/71/51/387927151.db2.gz XUPNWBODHGOJFY-RWMBFGLXSA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000423149579 387927154 /nfs/dbraw/zinc/92/71/54/387927154.db2.gz XUPNWBODHGOJFY-RWMBFGLXSA-N 2 1 243.395 0.549 20 0 BCADMP C[C@H](CCO)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423148777 387927695 /nfs/dbraw/zinc/92/76/95/387927695.db2.gz WMYCTBMBIZNCOY-SDDRHHMPSA-N 2 1 214.353 0.983 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148845 387927699 /nfs/dbraw/zinc/92/76/99/387927699.db2.gz WRHMMDDWGQXUBF-XQQFMLRXSA-N 2 1 244.379 0.894 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000424258892 387944387 /nfs/dbraw/zinc/94/43/87/387944387.db2.gz CLHIOZLBVIZXAK-CYBMUJFWSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423163611 387946701 /nfs/dbraw/zinc/94/67/01/387946701.db2.gz MZQQMJLIHAPEBA-FIQHERPVSA-N 2 1 212.337 0.735 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000565160347 387949507 /nfs/dbraw/zinc/94/95/07/387949507.db2.gz BWPYTVCFUIYBIG-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000565160347 387949508 /nfs/dbraw/zinc/94/95/08/387949508.db2.gz BWPYTVCFUIYBIG-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000565160347 387949512 /nfs/dbraw/zinc/94/95/12/387949512.db2.gz BWPYTVCFUIYBIG-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000565160347 387949514 /nfs/dbraw/zinc/94/95/14/387949514.db2.gz BWPYTVCFUIYBIG-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000423166997 387949681 /nfs/dbraw/zinc/94/96/81/387949681.db2.gz RRXXLKHXHBZRHQ-YUSALJHKSA-N 2 1 212.337 0.878 20 0 BCADMP c1cn([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000424298375 387957975 /nfs/dbraw/zinc/95/79/75/387957975.db2.gz DBRVWOLQPJOLHE-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453035688 387967037 /nfs/dbraw/zinc/96/70/37/387967037.db2.gz MPZPAJONWRXPOQ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185895 387970604 /nfs/dbraw/zinc/97/06/04/387970604.db2.gz NUUPLMWZJGSOAO-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])CS(C)(=O)=O ZINC000424334261 387978605 /nfs/dbraw/zinc/97/86/05/387978605.db2.gz NPEVWZIAXAMXLP-HBNTYKKESA-N 2 1 248.392 0.527 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423194364 387979499 /nfs/dbraw/zinc/97/94/99/387979499.db2.gz RIFYWLYSTIMCIR-QJPTWQEYSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423190085 387975877 /nfs/dbraw/zinc/97/58/77/387975877.db2.gz NKGPZKOINXECST-GRYCIOLGSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423190086 387976300 /nfs/dbraw/zinc/97/63/00/387976300.db2.gz NKGPZKOINXECST-IJLUTSLNSA-N 2 1 223.364 0.953 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000424364196 387990368 /nfs/dbraw/zinc/99/03/68/387990368.db2.gz DBFFKPOVKTZIID-QWRGUYRKSA-N 3 1 247.333 0.820 20 0 BCADMP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423209625 387992994 /nfs/dbraw/zinc/99/29/94/387992994.db2.gz VISXOPJLMREYSJ-OLZOCXBDSA-N 3 1 240.395 0.012 20 0 BCADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423210016 387995134 /nfs/dbraw/zinc/99/51/34/387995134.db2.gz GVCRQQRUSXLHSE-NWDGAFQWSA-N 2 1 222.336 0.859 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423210605 387995164 /nfs/dbraw/zinc/99/51/64/387995164.db2.gz KCDOZLWINMHELK-IJLUTSLNSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423210605 387995168 /nfs/dbraw/zinc/99/51/68/387995168.db2.gz KCDOZLWINMHELK-IJLUTSLNSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000453095020 387982395 /nfs/dbraw/zinc/98/23/95/387982395.db2.gz GUTBMLKJSXNXIV-JQWIXIFHSA-N 2 1 226.320 0.723 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000453095022 387982740 /nfs/dbraw/zinc/98/27/40/387982740.db2.gz GUTBMLKJSXNXIV-PWSUYJOCSA-N 2 1 226.320 0.723 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423200566 387986030 /nfs/dbraw/zinc/98/60/30/387986030.db2.gz MPOKJXITYDNHQT-GRYCIOLGSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423200566 387986035 /nfs/dbraw/zinc/98/60/35/387986035.db2.gz MPOKJXITYDNHQT-GRYCIOLGSA-N 3 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423200566 387986037 /nfs/dbraw/zinc/98/60/37/387986037.db2.gz MPOKJXITYDNHQT-GRYCIOLGSA-N 3 1 213.369 0.914 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371886 387997478 /nfs/dbraw/zinc/99/74/78/387997478.db2.gz VWWGONXHUCBQST-OLZOCXBDSA-N 2 1 249.362 0.915 20 0 BCADMP C1CC2(C1)[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000423219930 387999327 /nfs/dbraw/zinc/99/93/27/387999327.db2.gz WYLODCWLDMEPTI-IRCOFANPSA-N 2 1 222.332 0.896 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000424375579 388000045 /nfs/dbraw/zinc/00/00/45/388000045.db2.gz KLYSDBZKQFKOJP-GHMZBOCLSA-N 2 1 248.392 0.399 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423222221 388001526 /nfs/dbraw/zinc/00/15/26/388001526.db2.gz AGGZSVGZUHACJC-HBNTYKKESA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423222220 388002432 /nfs/dbraw/zinc/00/24/32/388002432.db2.gz AGGZSVGZUHACJC-GARJFASQSA-N 2 1 211.353 0.939 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645889488 388006617 /nfs/dbraw/zinc/00/66/17/388006617.db2.gz LLHKRUSUVVLDEE-MNOVXSKESA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257205 388019514 /nfs/dbraw/zinc/01/95/14/388019514.db2.gz CXGXMNBAPXYCGX-SNVBAGLBSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000423237441 388020888 /nfs/dbraw/zinc/02/08/88/388020888.db2.gz DGXJLFMROHAVLE-JTQLQIEISA-N 2 1 223.320 0.830 20 0 BCADMP C[C@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248760 388032325 /nfs/dbraw/zinc/03/23/25/388032325.db2.gz NSOBSFVEBKUXGH-SRVKXCTJSA-N 2 1 211.353 0.716 20 0 BCADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423249467 388032382 /nfs/dbraw/zinc/03/23/82/388032382.db2.gz SEHQMCXGAJOIEV-HBNTYKKESA-N 2 1 228.336 0.773 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250492 388033155 /nfs/dbraw/zinc/03/31/55/388033155.db2.gz QJIOSZOGKDGSFE-WOPDTQHZSA-N 3 1 211.353 0.574 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423252690 388036037 /nfs/dbraw/zinc/03/60/37/388036037.db2.gz YAPFMJFYFWWYCU-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423256202 388037233 /nfs/dbraw/zinc/03/72/33/388037233.db2.gz BMMSIJQCHRXKFI-DRZSPHRISA-N 2 1 241.379 0.199 20 0 BCADMP COC[C@H]([NH2+][C@H](C[NH3+])C1CC1)C(C)C ZINC000423275608 388056227 /nfs/dbraw/zinc/05/62/27/388056227.db2.gz LXSGKXBOVBRVNZ-MNOVXSKESA-N 2 1 200.326 0.984 20 0 BCADMP C[NH2+]CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000440581909 388056929 /nfs/dbraw/zinc/05/69/29/388056929.db2.gz SRDBCYHNHXWNFU-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000083834591 388063608 /nfs/dbraw/zinc/06/36/08/388063608.db2.gz LNMUOQDCBUWIJD-ZJUUUORDSA-N 2 1 223.320 0.221 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000423284885 388069078 /nfs/dbraw/zinc/06/90/78/388069078.db2.gz XIVUBDKXMLUFGW-MVWJERBFSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286470 388071688 /nfs/dbraw/zinc/07/16/88/388071688.db2.gz HOALSQHSCUDTSM-ONGXEEELSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423286470 388071691 /nfs/dbraw/zinc/07/16/91/388071691.db2.gz HOALSQHSCUDTSM-ONGXEEELSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286468 388071869 /nfs/dbraw/zinc/07/18/69/388071869.db2.gz HOALSQHSCUDTSM-KOLCDFICSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423286468 388071871 /nfs/dbraw/zinc/07/18/71/388071871.db2.gz HOALSQHSCUDTSM-KOLCDFICSA-N 2 1 211.353 0.796 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000447435992 388072166 /nfs/dbraw/zinc/07/21/66/388072166.db2.gz SPHCUXKLWDOOBJ-NSHDSACASA-N 2 1 245.367 0.197 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447518317 388074648 /nfs/dbraw/zinc/07/46/48/388074648.db2.gz NOPSEHKJKZRKSY-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447518316 388074657 /nfs/dbraw/zinc/07/46/57/388074657.db2.gz NOPSEHKJKZRKSY-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000463215165 388088699 /nfs/dbraw/zinc/08/86/99/388088699.db2.gz NVWJUFGCALOZQQ-QJPTWQEYSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000463215165 388088701 /nfs/dbraw/zinc/08/87/01/388088701.db2.gz NVWJUFGCALOZQQ-QJPTWQEYSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C\C[N@H+](C)C[C@@H](C)O ZINC000463355460 388091748 /nfs/dbraw/zinc/09/17/48/388091748.db2.gz WOQQEXFDSULKBT-GKKDLHFNSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648718259 388104882 /nfs/dbraw/zinc/10/48/82/388104882.db2.gz ZJMIZQYJNSLQCZ-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000086932301 388111420 /nfs/dbraw/zinc/11/14/20/388111420.db2.gz FTGYNEFEGFUWFR-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449241289 388160673 /nfs/dbraw/zinc/16/06/73/388160673.db2.gz AJLQGIBHWYYWCV-AAEUAGOBSA-N 2 1 238.331 0.867 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449241289 388160675 /nfs/dbraw/zinc/16/06/75/388160675.db2.gz AJLQGIBHWYYWCV-AAEUAGOBSA-N 2 1 238.331 0.867 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449241291 388160877 /nfs/dbraw/zinc/16/08/77/388160877.db2.gz AJLQGIBHWYYWCV-WCQYABFASA-N 2 1 238.331 0.867 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449241291 388160878 /nfs/dbraw/zinc/16/08/78/388160878.db2.gz AJLQGIBHWYYWCV-WCQYABFASA-N 2 1 238.331 0.867 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449241290 388160996 /nfs/dbraw/zinc/16/09/96/388160996.db2.gz AJLQGIBHWYYWCV-DGCLKSJQSA-N 2 1 238.331 0.867 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449241290 388160997 /nfs/dbraw/zinc/16/09/97/388160997.db2.gz AJLQGIBHWYYWCV-DGCLKSJQSA-N 2 1 238.331 0.867 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000646210405 388165660 /nfs/dbraw/zinc/16/56/60/388165660.db2.gz IVDITEBHJLRDHJ-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000646042438 388131131 /nfs/dbraw/zinc/13/11/31/388131131.db2.gz WNBRFNUAVLPLCR-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000646042438 388131132 /nfs/dbraw/zinc/13/11/32/388131132.db2.gz WNBRFNUAVLPLCR-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCCC2)CC[N@H+]1C ZINC000648718911 388133040 /nfs/dbraw/zinc/13/30/40/388133040.db2.gz KQQAXPMOZVIBSM-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000449098793 388141994 /nfs/dbraw/zinc/14/19/94/388141994.db2.gz KYELVDVFYVSVNJ-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP COCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102782 388142936 /nfs/dbraw/zinc/14/29/36/388142936.db2.gz REKKXZMCENGRPU-UHFFFAOYSA-N 2 1 228.336 0.429 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)CC ZINC000449120238 388145383 /nfs/dbraw/zinc/14/53/83/388145383.db2.gz CJYSRRKYMYLQGG-SNVBAGLBSA-N 2 1 215.341 0.442 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449148486 388149393 /nfs/dbraw/zinc/14/93/93/388149393.db2.gz TWVMDNAFDHJIBU-IJLUTSLNSA-N 2 1 241.379 0.973 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646139364 388154303 /nfs/dbraw/zinc/15/43/03/388154303.db2.gz QCGMDQPMIUBLBM-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP COCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261528794 135154022 /nfs/dbraw/zinc/15/40/22/135154022.db2.gz NXNVPZMDUXONJN-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449571382 388235784 /nfs/dbraw/zinc/23/57/84/388235784.db2.gz KDDUTXCFHGOMKD-UMNHJUIQSA-N 2 1 245.342 0.520 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000490456458 388239354 /nfs/dbraw/zinc/23/93/54/388239354.db2.gz ZXYDIWSJCXTRNQ-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608566 388241505 /nfs/dbraw/zinc/24/15/05/388241505.db2.gz IKABFTBXTUWDAO-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000491869757 388325559 /nfs/dbraw/zinc/32/55/59/388325559.db2.gz NLIDYCWPODPNJP-HWPRWLFBSA-N 2 1 239.363 0.562 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000491880166 388325868 /nfs/dbraw/zinc/32/58/68/388325868.db2.gz BZISLKLBPTZCTI-DOGVGXBMSA-N 2 1 225.336 0.172 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CCC[N@@H+](C)CC1 ZINC000491883834 388326226 /nfs/dbraw/zinc/32/62/26/388326226.db2.gz LWNBGBBPJMYGRF-XQRVVYSFSA-N 2 1 225.336 0.268 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)/C=C\C[NH+](C)C ZINC000492058493 388333222 /nfs/dbraw/zinc/33/32/22/388333222.db2.gz PMDNNLNTZFNHCZ-FPLPWBNLSA-N 2 1 241.379 0.952 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336366 388262069 /nfs/dbraw/zinc/26/20/69/388262069.db2.gz QAXLCNYODHNZRA-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336367 388262459 /nfs/dbraw/zinc/26/24/59/388262459.db2.gz QAXLCNYODHNZRA-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000645953494 388269085 /nfs/dbraw/zinc/26/90/85/388269085.db2.gz VXAYRTCAQMYRTD-NSHDSACASA-N 2 1 237.347 0.468 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC(n3ccnc3)C2)CC[N@H+]1C ZINC000648785327 388354278 /nfs/dbraw/zinc/35/42/78/388354278.db2.gz DZBFSEGBYUSQAH-ZYHUDNBSSA-N 2 1 248.330 0.607 20 0 BCADMP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000646430771 388358420 /nfs/dbraw/zinc/35/84/20/388358420.db2.gz HMIQZYRYLICGKW-NSHDSACASA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCc2c[nH]cn2)CC[N@H+]1C ZINC000648791523 388359803 /nfs/dbraw/zinc/35/98/03/388359803.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 1 222.292 0.366 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCc2cnc[nH]2)CC[N@@H+]1C ZINC000648791523 388359804 /nfs/dbraw/zinc/35/98/04/388359804.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 1 222.292 0.366 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCc2cnc[nH]2)CC[N@H+]1C ZINC000648791523 388359805 /nfs/dbraw/zinc/35/98/05/388359805.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 1 222.292 0.366 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572644113 388363626 /nfs/dbraw/zinc/36/36/26/388363626.db2.gz NYBGNOMJDOIDRV-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH3+])CC1)C(C)C ZINC000236856205 388384802 /nfs/dbraw/zinc/38/48/02/388384802.db2.gz QUEXXCHAIXKYHT-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237275198 388392427 /nfs/dbraw/zinc/39/24/27/388392427.db2.gz MYZBHAQFDQBIBM-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](CNC(=O)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000237395528 388394326 /nfs/dbraw/zinc/39/43/26/388394326.db2.gz SLVQHXDSVMZHBA-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000237508543 388395595 /nfs/dbraw/zinc/39/55/95/388395595.db2.gz HEAQAZYBATYVOQ-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572975694 388401084 /nfs/dbraw/zinc/40/10/84/388401084.db2.gz YKYRZNGEARXPSW-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC000572974243 388401631 /nfs/dbraw/zinc/40/16/31/388401631.db2.gz PNGDIXVOOCRXLF-VIFPVBQESA-N 2 1 224.308 0.306 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCC[C@H]1O ZINC000336904829 388442331 /nfs/dbraw/zinc/44/23/31/388442331.db2.gz WLJOBFGDMUATQM-GHMZBOCLSA-N 2 1 200.326 0.818 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCC[C@@H]1O ZINC000336904830 388442505 /nfs/dbraw/zinc/44/25/05/388442505.db2.gz WLJOBFGDMUATQM-MNOVXSKESA-N 2 1 200.326 0.818 20 0 BCADMP C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000646733296 388443991 /nfs/dbraw/zinc/44/39/91/388443991.db2.gz CPQZKQQZMGKQOT-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000322837663 388448798 /nfs/dbraw/zinc/44/87/98/388448798.db2.gz DXAFSOYUMXZNDN-CHWSQXEVSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@](C)(C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837663 388448799 /nfs/dbraw/zinc/44/87/99/388448799.db2.gz DXAFSOYUMXZNDN-CHWSQXEVSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000335663460 388454550 /nfs/dbraw/zinc/45/45/50/388454550.db2.gz PYCQIEIAPXJIRZ-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000526026301 388454688 /nfs/dbraw/zinc/45/46/88/388454688.db2.gz QGGBCJHWGBVGMV-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000526026301 388454691 /nfs/dbraw/zinc/45/46/91/388454691.db2.gz QGGBCJHWGBVGMV-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000526026301 388454692 /nfs/dbraw/zinc/45/46/92/388454692.db2.gz QGGBCJHWGBVGMV-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP CCNC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000193823263 388466180 /nfs/dbraw/zinc/46/61/80/388466180.db2.gz ZZSAGUUEXYUIAX-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469293 /nfs/dbraw/zinc/46/92/93/388469293.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469294 /nfs/dbraw/zinc/46/92/94/388469294.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469296 /nfs/dbraw/zinc/46/92/96/388469296.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469297 /nfs/dbraw/zinc/46/92/97/388469297.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469298 /nfs/dbraw/zinc/46/92/98/388469298.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](O)C1(C)C)C1CC1 ZINC000336722001 388469300 /nfs/dbraw/zinc/46/93/00/388469300.db2.gz SQLZRINPPSRMLM-NEPJUHHUSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000573121497 388421586 /nfs/dbraw/zinc/42/15/86/388421586.db2.gz FYNXSOZNDSTJRC-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000573121500 388421762 /nfs/dbraw/zinc/42/17/62/388421762.db2.gz FYNXSOZNDSTJRC-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC1(C)C ZINC000573263285 388437136 /nfs/dbraw/zinc/43/71/36/388437136.db2.gz QUGOAOACRXHFSN-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC1(C)C ZINC000573263285 388437138 /nfs/dbraw/zinc/43/71/38/388437138.db2.gz QUGOAOACRXHFSN-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC1(C)C ZINC000573263285 388437142 /nfs/dbraw/zinc/43/71/42/388437142.db2.gz QUGOAOACRXHFSN-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC1(C)C ZINC000573263285 388437145 /nfs/dbraw/zinc/43/71/45/388437145.db2.gz QUGOAOACRXHFSN-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926888 388540009 /nfs/dbraw/zinc/54/00/09/388540009.db2.gz YNDHUIAPPASACH-ZGVCCVRISA-N 2 1 242.363 0.551 20 0 BCADMP COC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926888 388540012 /nfs/dbraw/zinc/54/00/12/388540012.db2.gz YNDHUIAPPASACH-ZGVCCVRISA-N 2 1 242.363 0.551 20 0 BCADMP COC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352926888 388540015 /nfs/dbraw/zinc/54/00/15/388540015.db2.gz YNDHUIAPPASACH-ZGVCCVRISA-N 2 1 242.363 0.551 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000261535281 388550744 /nfs/dbraw/zinc/55/07/44/388550744.db2.gz XUXYCUZWUVKJSZ-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP Cc1nocc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000339347630 388483007 /nfs/dbraw/zinc/48/30/07/388483007.db2.gz CUZACURKSYPPJQ-LLVKDONJSA-N 2 1 225.292 0.139 20 0 BCADMP CCCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000244219131 388488649 /nfs/dbraw/zinc/48/86/49/388488649.db2.gz VYUHIDJQXLLQIM-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000244219131 388488652 /nfs/dbraw/zinc/48/86/52/388488652.db2.gz VYUHIDJQXLLQIM-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000340357314 388489785 /nfs/dbraw/zinc/48/97/85/388489785.db2.gz DDNSAKBUDQZHQG-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000340357314 388489787 /nfs/dbraw/zinc/48/97/87/388489787.db2.gz DDNSAKBUDQZHQG-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277105 388499891 /nfs/dbraw/zinc/49/98/91/388499891.db2.gz DDMZDWSIJZVERM-KKOKHZNYSA-N 2 1 237.347 0.337 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378853561 388522226 /nfs/dbraw/zinc/52/22/26/388522226.db2.gz WXTURGVIWPLNCJ-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378853561 388522229 /nfs/dbraw/zinc/52/22/29/388522229.db2.gz WXTURGVIWPLNCJ-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000517030431 388533369 /nfs/dbraw/zinc/53/33/69/388533369.db2.gz OCXKTKYMYXVBKQ-IJLUTSLNSA-N 3 1 211.353 0.846 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308229 388594625 /nfs/dbraw/zinc/59/46/25/388594625.db2.gz VNUAOXWSGRCXIB-IQIPOGNMSA-N 2 1 235.331 0.090 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649310585 388596293 /nfs/dbraw/zinc/59/62/93/388596293.db2.gz XBGPDOSISNNTBI-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328312192 388598996 /nfs/dbraw/zinc/59/89/96/388598996.db2.gz BULUOHPFJMZSQS-UHTWSYAYSA-N 2 1 247.342 0.535 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328312192 388598998 /nfs/dbraw/zinc/59/89/98/388598998.db2.gz BULUOHPFJMZSQS-UHTWSYAYSA-N 2 1 247.342 0.535 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297731 388575480 /nfs/dbraw/zinc/57/54/80/388575480.db2.gz UGMBHUNOFOMPQF-JZRPKSSGSA-N 2 1 249.358 0.195 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298191 388576301 /nfs/dbraw/zinc/57/63/01/388576301.db2.gz YTRITYBZONFODO-QCNOEVLYSA-N 2 1 237.347 0.195 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298190 388576312 /nfs/dbraw/zinc/57/63/12/388576312.db2.gz YTRITYBZONFODO-KKOKHZNYSA-N 2 1 237.347 0.195 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298008 388576366 /nfs/dbraw/zinc/57/63/66/388576366.db2.gz JORVXXBUMSIFHD-WFFHOREQSA-N 2 1 249.358 0.337 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245448164 388580427 /nfs/dbraw/zinc/58/04/27/388580427.db2.gz MQOAUEWEEMPEBI-QWRGUYRKSA-N 2 1 200.326 0.905 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248145363 388673920 /nfs/dbraw/zinc/67/39/20/388673920.db2.gz QCTKLCXRMOBWIJ-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP NC(=O)c1coc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000522014637 388674686 /nfs/dbraw/zinc/67/46/86/388674686.db2.gz WUJVQMWJXMPMQD-UWVGGRQHSA-N 2 1 237.303 0.738 20 0 BCADMP NC(=O)c1coc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000522014636 388675095 /nfs/dbraw/zinc/67/50/95/388675095.db2.gz WUJVQMWJXMPMQD-NXEZZACHSA-N 2 1 237.303 0.738 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000521627179 388620284 /nfs/dbraw/zinc/62/02/84/388620284.db2.gz ZTZVYGHSHYAWIX-LLVKDONJSA-N 3 1 213.369 0.949 20 0 BCADMP CCC[NH+]1CCC(NC[C@@H]2COCC[NH2+]2)CC1 ZINC000530180779 388622408 /nfs/dbraw/zinc/62/24/08/388622408.db2.gz AKTQCZXGHLJZTC-CYBMUJFWSA-N 2 1 241.379 0.439 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246253360 388627216 /nfs/dbraw/zinc/62/72/16/388627216.db2.gz JSUDFTXQTLKFAK-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246253360 388627218 /nfs/dbraw/zinc/62/72/18/388627218.db2.gz JSUDFTXQTLKFAK-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530222951 388634196 /nfs/dbraw/zinc/63/41/96/388634196.db2.gz IUIZWDKGAVBJDH-TUAOUCFPSA-N 2 1 227.352 0.082 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226243 388635122 /nfs/dbraw/zinc/63/51/22/388635122.db2.gz ZEJCUWPKNAPPIP-NXEZZACHSA-N 2 1 225.336 0.385 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCO)[C@@H](C)C1 ZINC000246418470 388635417 /nfs/dbraw/zinc/63/54/17/388635417.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCO)[C@@H](C)C1 ZINC000246418470 388635418 /nfs/dbraw/zinc/63/54/18/388635418.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCO)[C@@H](C)C1 ZINC000246418470 388635420 /nfs/dbraw/zinc/63/54/20/388635420.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226164 388635639 /nfs/dbraw/zinc/63/56/39/388635639.db2.gz NVFWSGPIMVCXNC-JTQLQIEISA-N 2 1 200.326 0.674 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000551921753 388647657 /nfs/dbraw/zinc/64/76/57/388647657.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000551921753 388647658 /nfs/dbraw/zinc/64/76/58/388647658.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000551921753 388647661 /nfs/dbraw/zinc/64/76/61/388647661.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 1 248.330 0.335 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223755307 388657828 /nfs/dbraw/zinc/65/78/28/388657828.db2.gz QSBFKHVZQFYNGZ-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223755307 388657831 /nfs/dbraw/zinc/65/78/31/388657831.db2.gz QSBFKHVZQFYNGZ-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299191 388745183 /nfs/dbraw/zinc/74/51/83/388745183.db2.gz HHRVXZNVTQOLSG-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000648730521 388751975 /nfs/dbraw/zinc/75/19/75/388751975.db2.gz FWKPFTKBXCIZMG-HBNTYKKESA-N 2 1 227.352 0.393 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000127250262 388718762 /nfs/dbraw/zinc/71/87/62/388718762.db2.gz QSBFKHVZQFYNGZ-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000127250262 388718764 /nfs/dbraw/zinc/71/87/64/388718764.db2.gz QSBFKHVZQFYNGZ-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000127250021 388718875 /nfs/dbraw/zinc/71/88/75/388718875.db2.gz QSBFKHVZQFYNGZ-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000127250021 388718876 /nfs/dbraw/zinc/71/88/76/388718876.db2.gz QSBFKHVZQFYNGZ-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP COC[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H](C)O1 ZINC000252012480 388760288 /nfs/dbraw/zinc/76/02/88/388760288.db2.gz XUBLANXCDVFTIR-RYUDHWBXSA-N 2 1 239.319 0.619 20 0 BCADMP COC[C@@H]1CN(CCn2ccnc2)C[C@H](C)O1 ZINC000252012480 388760292 /nfs/dbraw/zinc/76/02/92/388760292.db2.gz XUBLANXCDVFTIR-RYUDHWBXSA-N 2 1 239.319 0.619 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572536791 388768203 /nfs/dbraw/zinc/76/82/03/388768203.db2.gz ALAZXQDJQIHIKR-BDAKNGLRSA-N 2 1 247.289 0.323 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000555530837 388853586 /nfs/dbraw/zinc/85/35/86/388853586.db2.gz VLHKSBMLASFGBJ-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000555530837 388853588 /nfs/dbraw/zinc/85/35/88/388853588.db2.gz VLHKSBMLASFGBJ-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000555530837 388853591 /nfs/dbraw/zinc/85/35/91/388853591.db2.gz VLHKSBMLASFGBJ-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000555530837 388853594 /nfs/dbraw/zinc/85/35/94/388853594.db2.gz VLHKSBMLASFGBJ-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP CSC[C@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000564844073 388893040 /nfs/dbraw/zinc/89/30/40/388893040.db2.gz IEMWQSLYADBPCK-LLVKDONJSA-N 2 1 243.376 0.895 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(N)=O ZINC000564844432 388893471 /nfs/dbraw/zinc/89/34/71/388893471.db2.gz IQWVUYLIIBDZEJ-VIFPVBQESA-N 2 1 224.308 0.293 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CC1)Cc1ccccc1 ZINC000262153065 388906901 /nfs/dbraw/zinc/90/69/01/388906901.db2.gz RWODPFPAQJMDJE-UHFFFAOYSA-N 2 1 247.342 0.726 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000565046101 388911886 /nfs/dbraw/zinc/91/18/86/388911886.db2.gz CCXUBDWZBMWZCR-GFCCVEGCSA-N 2 1 236.363 0.894 20 0 BCADMP CC[N@@H+](CC1CC1)C[C@](C)(O)C[NH2+]C ZINC000565095784 388913818 /nfs/dbraw/zinc/91/38/18/388913818.db2.gz RSXHRLVMHHIILI-LLVKDONJSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000565206364 388926207 /nfs/dbraw/zinc/92/62/07/388926207.db2.gz BPXSBYDRGJZNCK-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000565206364 388926210 /nfs/dbraw/zinc/92/62/10/388926210.db2.gz BPXSBYDRGJZNCK-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCCCO)C1CC1 ZINC000565606746 388958892 /nfs/dbraw/zinc/95/88/92/388958892.db2.gz IQRVJPPTNIGYPM-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCCCO)C1CC1 ZINC000565606746 388958889 /nfs/dbraw/zinc/95/88/89/388958889.db2.gz IQRVJPPTNIGYPM-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCCCO)C1CC1 ZINC000565606746 388958894 /nfs/dbraw/zinc/95/88/94/388958894.db2.gz IQRVJPPTNIGYPM-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCCCO)C1CC1 ZINC000565606746 388958898 /nfs/dbraw/zinc/95/88/98/388958898.db2.gz IQRVJPPTNIGYPM-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000565421705 388942879 /nfs/dbraw/zinc/94/28/79/388942879.db2.gz ARTSYSFZRJCPMP-OLZOCXBDSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000565480211 388949026 /nfs/dbraw/zinc/94/90/26/388949026.db2.gz BGSDRZOCRNZMBA-UPJWGTAASA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000565886989 388976770 /nfs/dbraw/zinc/97/67/70/388976770.db2.gz JBYXKUVAVRIJAO-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000493897161 533260568 /nfs/dbraw/zinc/26/05/68/533260568.db2.gz LZGLAXVLZSQYIF-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000259245517 533363343 /nfs/dbraw/zinc/36/33/43/533363343.db2.gz LXOLXEONCZUKFL-CYBMUJFWSA-N 2 1 239.363 0.004 20 0 BCADMP C([NH2+][C@@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC000335640824 533368372 /nfs/dbraw/zinc/36/83/72/533368372.db2.gz AKHZZDPXCZBEHQ-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP Cc1cc(N2CC[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000052783309 132228841 /nfs/dbraw/zinc/22/88/41/132228841.db2.gz ZNFTULAHTFQIHV-SECBINFHSA-N 2 1 206.293 0.892 20 0 BCADMP Cc1cc(N2CC[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000052783310 132228997 /nfs/dbraw/zinc/22/89/97/132228997.db2.gz ZNFTULAHTFQIHV-VIFPVBQESA-N 2 1 206.293 0.892 20 0 BCADMP CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000054855754 132365152 /nfs/dbraw/zinc/36/51/52/132365152.db2.gz YVUTZMNAHTXENP-UHFFFAOYSA-N 2 1 235.335 0.338 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335930961 134010537 /nfs/dbraw/zinc/01/05/37/134010537.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335930961 134010538 /nfs/dbraw/zinc/01/05/38/134010538.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335930961 134010539 /nfs/dbraw/zinc/01/05/39/134010539.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335957372 134023686 /nfs/dbraw/zinc/02/36/86/134023686.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335957372 134023687 /nfs/dbraw/zinc/02/36/87/134023687.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335957372 134023688 /nfs/dbraw/zinc/02/36/88/134023688.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352022743 134037457 /nfs/dbraw/zinc/03/74/57/134037457.db2.gz QQNBFYYOBPUHOR-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352022743 134037458 /nfs/dbraw/zinc/03/74/58/134037458.db2.gz QQNBFYYOBPUHOR-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)C ZINC000336003230 134048107 /nfs/dbraw/zinc/04/81/07/134048107.db2.gz JJWBDPDEGAZBFO-LLVKDONJSA-N 2 1 227.352 0.347 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167793817 134153702 /nfs/dbraw/zinc/15/37/02/134153702.db2.gz NEMHTLDGFULRLU-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167793817 134153703 /nfs/dbraw/zinc/15/37/03/134153703.db2.gz NEMHTLDGFULRLU-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553488 134248202 /nfs/dbraw/zinc/24/82/02/134248202.db2.gz LBUOIZNILFZBKD-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553488 134248203 /nfs/dbraw/zinc/24/82/03/134248203.db2.gz LBUOIZNILFZBKD-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218882759 134265543 /nfs/dbraw/zinc/26/55/43/134265543.db2.gz AOEJIMFSALFFOE-VHSXEESVSA-N 2 1 215.341 0.428 20 0 BCADMP [NH3+]CCCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747914 134310887 /nfs/dbraw/zinc/31/08/87/134310887.db2.gz LDCRAJKJMQGDMW-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCOC)[C@H](C)C1 ZINC000178632096 134312438 /nfs/dbraw/zinc/31/24/38/134312438.db2.gz QZJFFPBONKKYDV-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178866978 134315641 /nfs/dbraw/zinc/31/56/41/134315641.db2.gz AEDKBIUBNWOWIL-HLTSFMKQSA-N 2 1 211.309 0.075 20 0 BCADMP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000178885282 134315938 /nfs/dbraw/zinc/31/59/38/134315938.db2.gz APUPXQINVOAZAB-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178866990 134315951 /nfs/dbraw/zinc/31/59/51/134315951.db2.gz AEDKBIUBNWOWIL-IWSPIJDZSA-N 2 1 211.309 0.075 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223939102 134343321 /nfs/dbraw/zinc/34/33/21/134343321.db2.gz HASOKZOYZWMUNY-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223939102 134343322 /nfs/dbraw/zinc/34/33/22/134343322.db2.gz HASOKZOYZWMUNY-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000225959351 134358044 /nfs/dbraw/zinc/35/80/44/134358044.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000225959351 134358045 /nfs/dbraw/zinc/35/80/45/134358045.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000225959351 134358046 /nfs/dbraw/zinc/35/80/46/134358046.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401578 134365097 /nfs/dbraw/zinc/36/50/97/134365097.db2.gz VQPMCPYJSVEYOT-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401578 134365098 /nfs/dbraw/zinc/36/50/98/134365098.db2.gz VQPMCPYJSVEYOT-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401307 134365270 /nfs/dbraw/zinc/36/52/70/134365270.db2.gz LMHOWJKNZPHOAM-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401307 134365271 /nfs/dbraw/zinc/36/52/71/134365271.db2.gz LMHOWJKNZPHOAM-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(N)=O ZINC000227734818 134385855 /nfs/dbraw/zinc/38/58/55/134385855.db2.gz GVIYEDAWJYBCIP-IUCAKERBSA-N 2 1 201.314 0.165 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(N)=O ZINC000227734818 134385856 /nfs/dbraw/zinc/38/58/56/134385856.db2.gz GVIYEDAWJYBCIP-IUCAKERBSA-N 2 1 201.314 0.165 20 0 BCADMP C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248662296 135018690 /nfs/dbraw/zinc/01/86/90/135018690.db2.gz YGRFFFNXUVEJEC-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251071580 135062223 /nfs/dbraw/zinc/06/22/23/135062223.db2.gz YQSFJRPGJDSKRB-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251071580 135062224 /nfs/dbraw/zinc/06/22/24/135062224.db2.gz YQSFJRPGJDSKRB-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC3)CC[N@H+]2C1 ZINC000251099793 135064413 /nfs/dbraw/zinc/06/44/13/135064413.db2.gz JSZXLGPKWCXSBP-SDDRHHMPSA-N 2 1 210.321 0.992 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCO1 ZINC000251325715 135068101 /nfs/dbraw/zinc/06/81/01/135068101.db2.gz OQDMYZADAXSOJT-XQQFMLRXSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000251646531 135073195 /nfs/dbraw/zinc/07/31/95/135073195.db2.gz GEIDDZKMQLSEPV-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000251646531 135073197 /nfs/dbraw/zinc/07/31/97/135073197.db2.gz GEIDDZKMQLSEPV-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251706477 135074686 /nfs/dbraw/zinc/07/46/86/135074686.db2.gz JEDOTZQUTDJMHG-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251799549 135078337 /nfs/dbraw/zinc/07/83/37/135078337.db2.gz NWPSSCNPVYZVNX-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CCCO1 ZINC000086435709 135084003 /nfs/dbraw/zinc/08/40/03/135084003.db2.gz TYUYKELUMQRZGY-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638490 135091530 /nfs/dbraw/zinc/09/15/30/135091530.db2.gz VYFJIOAEKJJEDO-VIFPVBQESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638490 135091531 /nfs/dbraw/zinc/09/15/31/135091531.db2.gz VYFJIOAEKJJEDO-VIFPVBQESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638492 135092169 /nfs/dbraw/zinc/09/21/69/135092169.db2.gz VYFJIOAEKJJEDO-SECBINFHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638492 135092171 /nfs/dbraw/zinc/09/21/71/135092171.db2.gz VYFJIOAEKJJEDO-SECBINFHSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701721 135094925 /nfs/dbraw/zinc/09/49/25/135094925.db2.gz JBJCQHSREXXTSE-LBPRGKRZSA-N 2 1 212.337 0.954 20 0 BCADMP C[S@](=O)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703338 135097847 /nfs/dbraw/zinc/09/78/47/135097847.db2.gz WQBGQSDNBSSOLL-MKBNYLNASA-N 2 1 244.404 0.971 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000252715021 135101605 /nfs/dbraw/zinc/10/16/05/135101605.db2.gz UIQRIJGOWMEQOL-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cccn1 ZINC000252730607 135103835 /nfs/dbraw/zinc/10/38/35/135103835.db2.gz MCNNNBBLNLQEJE-VXGBXAGGSA-N 2 1 222.336 0.813 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cccn1 ZINC000252730606 135103897 /nfs/dbraw/zinc/10/38/97/135103897.db2.gz MCNNNBBLNLQEJE-NWDGAFQWSA-N 2 1 222.336 0.813 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000252777392 135108280 /nfs/dbraw/zinc/10/82/80/135108280.db2.gz OTWOFXRTKHIRNT-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000252777392 135108281 /nfs/dbraw/zinc/10/82/81/135108281.db2.gz OTWOFXRTKHIRNT-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCCO ZINC000252769204 135108391 /nfs/dbraw/zinc/10/83/91/135108391.db2.gz HJWWAFUBFJRFOT-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252781611 135110224 /nfs/dbraw/zinc/11/02/24/135110224.db2.gz RKCMJLMYYJVBQO-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252781611 135110227 /nfs/dbraw/zinc/11/02/27/135110227.db2.gz RKCMJLMYYJVBQO-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416246 135132788 /nfs/dbraw/zinc/13/27/88/135132788.db2.gz IZQHUBGGEJFXMT-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000257697833 135139987 /nfs/dbraw/zinc/13/99/87/135139987.db2.gz NLFJEJOSPQIOQD-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257727221 135140496 /nfs/dbraw/zinc/14/04/96/135140496.db2.gz QLBRLKOBZIZWMU-LBPRGKRZSA-N 2 1 209.337 0.376 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257728806 135140951 /nfs/dbraw/zinc/14/09/51/135140951.db2.gz WSTMMRUMTGXMSA-CYBMUJFWSA-N 2 1 234.347 0.914 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257728806 135140952 /nfs/dbraw/zinc/14/09/52/135140952.db2.gz WSTMMRUMTGXMSA-CYBMUJFWSA-N 2 1 234.347 0.914 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257764749 135142106 /nfs/dbraw/zinc/14/21/06/135142106.db2.gz ZAAZEKDLPIQTJR-ZDUSSCGKSA-N 2 1 249.362 0.198 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261545664 135150046 /nfs/dbraw/zinc/15/00/46/135150046.db2.gz GFZVJNNRUBDUNA-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000261528987 135154736 /nfs/dbraw/zinc/15/47/36/135154736.db2.gz YWMQCGATGJQOSN-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP C[C@@H]1C[N@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000261530916 135159013 /nfs/dbraw/zinc/15/90/13/135159013.db2.gz DMFAPJDNPNZWDV-RKDXNWHRSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000261530916 135159014 /nfs/dbraw/zinc/15/90/14/135159014.db2.gz DMFAPJDNPNZWDV-RKDXNWHRSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261534182 135167029 /nfs/dbraw/zinc/16/70/29/135167029.db2.gz OEKKUUMFGWNBMJ-CMPLNLGQSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261535019 135168911 /nfs/dbraw/zinc/16/89/11/135168911.db2.gz VRLOOPGQJUZZKL-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261535019 135168912 /nfs/dbraw/zinc/16/89/12/135168912.db2.gz VRLOOPGQJUZZKL-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000261535475 135169779 /nfs/dbraw/zinc/16/97/79/135169779.db2.gz ZJAGLBAFOSSRIK-ZYHUDNBSSA-N 2 1 222.336 0.632 20 0 BCADMP C[N@@H+](CCn1cncn1)CC(C)(C)C[NH3+] ZINC000261536469 135172303 /nfs/dbraw/zinc/17/23/03/135172303.db2.gz RVLFESZMVLXKAZ-UHFFFAOYSA-N 2 1 211.313 0.195 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261536562 135172385 /nfs/dbraw/zinc/17/23/85/135172385.db2.gz SDJOGFZMHCMNMW-MRVPVSSYSA-N 2 1 210.281 0.045 20 0 BCADMP Cn1nccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538760 135177095 /nfs/dbraw/zinc/17/70/95/135177095.db2.gz ZFHQCFQWHNZYNM-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP Cn1nccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538760 135177097 /nfs/dbraw/zinc/17/70/97/135177097.db2.gz ZFHQCFQWHNZYNM-NSHDSACASA-N 2 1 208.309 0.591 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000261540385 135179325 /nfs/dbraw/zinc/17/93/25/135179325.db2.gz GIOFIMSFRWTMTO-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000261540385 135179326 /nfs/dbraw/zinc/17/93/26/135179326.db2.gz GIOFIMSFRWTMTO-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261541471 135181036 /nfs/dbraw/zinc/18/10/36/135181036.db2.gz GADIZCQTGUNUAJ-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000261541471 135181037 /nfs/dbraw/zinc/18/10/37/135181037.db2.gz GADIZCQTGUNUAJ-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000261544484 135185195 /nfs/dbraw/zinc/18/51/95/135185195.db2.gz YRGDUHRTSZKUQO-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCC1CCOCC1 ZINC000261544215 135185399 /nfs/dbraw/zinc/18/53/99/135185399.db2.gz IPWKSIYYSNKCDC-UHFFFAOYSA-N 2 1 230.352 0.710 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261544761 135186154 /nfs/dbraw/zinc/18/61/54/135186154.db2.gz ZSEQYQPJPCQJJA-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261544761 135186155 /nfs/dbraw/zinc/18/61/55/135186155.db2.gz ZSEQYQPJPCQJJA-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000261551020 135190160 /nfs/dbraw/zinc/19/01/60/135190160.db2.gz LUDZPQCSBNOYPO-ZDUSSCGKSA-N 2 1 234.347 0.648 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261552413 135191028 /nfs/dbraw/zinc/19/10/28/135191028.db2.gz RJZZNEZGHVSIBX-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CN ZINC000261555497 135195388 /nfs/dbraw/zinc/19/53/88/135195388.db2.gz VBYBWGADLDPPID-GHMZBOCLSA-N 2 1 215.341 0.021 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CN ZINC000261555497 135195390 /nfs/dbraw/zinc/19/53/90/135195390.db2.gz VBYBWGADLDPPID-GHMZBOCLSA-N 3 1 215.341 0.021 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261560501 135201234 /nfs/dbraw/zinc/20/12/34/135201234.db2.gz URQMMTDSDVPPIW-GXFFZTMASA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261560501 135201236 /nfs/dbraw/zinc/20/12/36/135201236.db2.gz URQMMTDSDVPPIW-GXFFZTMASA-N 2 1 241.379 0.960 20 0 BCADMP c1cnn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261564167 135206374 /nfs/dbraw/zinc/20/63/74/135206374.db2.gz XNRSRLFSIKAPTD-UHFFFAOYSA-N 2 1 234.347 0.959 20 0 BCADMP CC1(C)C[N@@H+](CCn2ccnc2)C[C@H](CO)O1 ZINC000163846798 135208555 /nfs/dbraw/zinc/20/85/55/135208555.db2.gz PSUZJTLLFMJKIB-LLVKDONJSA-N 2 1 239.319 0.355 20 0 BCADMP CC1(C)CN(CCn2ccnc2)C[C@H](CO)O1 ZINC000163846798 135208557 /nfs/dbraw/zinc/20/85/57/135208557.db2.gz PSUZJTLLFMJKIB-LLVKDONJSA-N 2 1 239.319 0.355 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261568405 135210532 /nfs/dbraw/zinc/21/05/32/135210532.db2.gz FNYIBWDCGUCQCL-NSHDSACASA-N 2 1 208.309 0.889 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261568405 135210533 /nfs/dbraw/zinc/21/05/33/135210533.db2.gz FNYIBWDCGUCQCL-NSHDSACASA-N 2 1 208.309 0.889 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000164123496 135213043 /nfs/dbraw/zinc/21/30/43/135213043.db2.gz RRKHONOHMNEOPY-SRVKXCTJSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000164123496 135213045 /nfs/dbraw/zinc/21/30/45/135213045.db2.gz RRKHONOHMNEOPY-SRVKXCTJSA-N 2 1 237.351 0.739 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261572004 135214044 /nfs/dbraw/zinc/21/40/44/135214044.db2.gz HYJUGLMDBHIESU-WCBMZHEXSA-N 2 1 208.309 0.887 20 0 BCADMP CN(CC(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000261583034 135223976 /nfs/dbraw/zinc/22/39/76/135223976.db2.gz OUIATQINKXTFQI-NSHDSACASA-N 2 1 211.353 0.892 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261590311 135231294 /nfs/dbraw/zinc/23/12/94/135231294.db2.gz UMFQIVHIEUBDHO-GFCCVEGCSA-N 2 1 220.320 0.569 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261597526 135236453 /nfs/dbraw/zinc/23/64/53/135236453.db2.gz ZEMRZGKWEQUHJS-MNOVXSKESA-N 2 1 223.324 0.337 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261547479 135239927 /nfs/dbraw/zinc/23/99/27/135239927.db2.gz IEIJKIOZDVAECH-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000261547480 135240407 /nfs/dbraw/zinc/24/04/07/135240407.db2.gz IEIJKIOZDVAECH-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687606 135246198 /nfs/dbraw/zinc/24/61/98/135246198.db2.gz AQLOHXXXPTZXNY-PWSUYJOCSA-N 2 1 225.336 0.183 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695206 135246930 /nfs/dbraw/zinc/24/69/30/135246930.db2.gz BSOYQCOTAYUEIJ-PWSUYJOCSA-N 2 1 227.352 0.300 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716675 135247683 /nfs/dbraw/zinc/24/76/83/135247683.db2.gz FFKNHJZTGJLLBK-CHWSQXEVSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@]1(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)CC[NH2+]C1 ZINC000261742009 135248900 /nfs/dbraw/zinc/24/89/00/135248900.db2.gz IMRXBEGYBZRGSJ-CYBMUJFWSA-N 2 1 248.330 0.128 20 0 BCADMP C[C@@]1(C[N@H+]2CCc3n[nH]c(=O)cc3C2)CC[NH2+]C1 ZINC000261742009 135248901 /nfs/dbraw/zinc/24/89/01/135248901.db2.gz IMRXBEGYBZRGSJ-CYBMUJFWSA-N 2 1 248.330 0.128 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000084420028 135249503 /nfs/dbraw/zinc/24/95/03/135249503.db2.gz PJFGHNFMVLPFMH-NXEZZACHSA-N 2 1 243.376 0.202 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000084420031 135249555 /nfs/dbraw/zinc/24/95/55/135249555.db2.gz PJFGHNFMVLPFMH-VHSXEESVSA-N 2 1 243.376 0.202 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763308 135250367 /nfs/dbraw/zinc/25/03/67/135250367.db2.gz RJWZCSDWSCFEJG-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC1=[NH+]CCCN1 ZINC000261765827 135251388 /nfs/dbraw/zinc/25/13/88/135251388.db2.gz MANYVWBCJSJFCX-NSHDSACASA-N 2 1 224.352 0.800 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]CCCN1 ZINC000261765823 135251969 /nfs/dbraw/zinc/25/19/69/135251969.db2.gz MANYVWBCJSJFCX-LLVKDONJSA-N 2 1 224.352 0.800 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[NH3+] ZINC000261782405 135252375 /nfs/dbraw/zinc/25/23/75/135252375.db2.gz JQIOJXDBYKOFOP-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]1c2nncn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261809589 135254272 /nfs/dbraw/zinc/25/42/72/135254272.db2.gz HQBXSVLONCPZBY-SNVBAGLBSA-N 2 1 235.335 0.654 20 0 BCADMP C[C@@H]1c2nncn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261809589 135254273 /nfs/dbraw/zinc/25/42/73/135254273.db2.gz HQBXSVLONCPZBY-SNVBAGLBSA-N 2 1 235.335 0.654 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000261826371 135256293 /nfs/dbraw/zinc/25/62/93/135256293.db2.gz ISTJNHUCAZSBBE-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@]1(C[N@@H+]2CCN3CCOC[C@@H]3C2)CC[NH2+]C1 ZINC000261877458 135259313 /nfs/dbraw/zinc/25/93/13/135259313.db2.gz QEYZISZHTPMUCL-STQMWFEESA-N 2 1 239.363 0.002 20 0 BCADMP C[C@]1(C[N@H+]2CCN3CCOC[C@@H]3C2)CC[NH2+]C1 ZINC000261877458 135259314 /nfs/dbraw/zinc/25/93/14/135259314.db2.gz QEYZISZHTPMUCL-STQMWFEESA-N 2 1 239.363 0.002 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261887171 135259876 /nfs/dbraw/zinc/25/98/76/135259876.db2.gz SDQKUAVJQIPMDX-WCQYABFASA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261943115 135265111 /nfs/dbraw/zinc/26/51/11/135265111.db2.gz NVNCJDMYTLVMIH-JFGNBEQYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@]1(C[N@H+]2CCSC[C@H]2CCO)CC[NH2+]C1 ZINC000261986604 135269985 /nfs/dbraw/zinc/26/99/85/135269985.db2.gz JTNDUOPDFVIFNV-NEPJUHHUSA-N 2 1 244.404 0.786 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261999383 135271706 /nfs/dbraw/zinc/27/17/06/135271706.db2.gz LELBTJJVJWJBKL-CMPLNLGQSA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262030014 135274085 /nfs/dbraw/zinc/27/40/85/135274085.db2.gz BMHIVURRARWBLT-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054574 135276561 /nfs/dbraw/zinc/27/65/61/135276561.db2.gz WZDQOYVFWXDRPL-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262056036 135277025 /nfs/dbraw/zinc/27/70/25/135277025.db2.gz XLHQMSFZUNQTJC-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP O=C1C[N@@H+](CC2CC[NH2+]CC2)CCN1C1CC1 ZINC000262228335 135286628 /nfs/dbraw/zinc/28/66/28/135286628.db2.gz NMFGARAIMBZPPI-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262269969 135288662 /nfs/dbraw/zinc/28/86/62/135288662.db2.gz SIAIZFXACWTDSI-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000262338323 135294114 /nfs/dbraw/zinc/29/41/14/135294114.db2.gz HOMLMPPIGYMTLL-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000262384003 135298355 /nfs/dbraw/zinc/29/83/55/135298355.db2.gz NGBPQSCLAKEBHU-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)[C@H](C)C1 ZINC000262451775 135300349 /nfs/dbraw/zinc/30/03/49/135300349.db2.gz WCRNBTVJZKDERB-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)[C@H](C)C1 ZINC000262451770 135300361 /nfs/dbraw/zinc/30/03/61/135300361.db2.gz WCRNBTVJZKDERB-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000262451683 135300512 /nfs/dbraw/zinc/30/05/12/135300512.db2.gz WAGGJXMEOHBUOW-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262484057 135301570 /nfs/dbraw/zinc/30/15/70/135301570.db2.gz ZWKDAFUINGZCAS-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262484051 135301696 /nfs/dbraw/zinc/30/16/96/135301696.db2.gz ZWKDAFUINGZCAS-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP COc1cc[nH+]c(N2CCN(CC[NH3+])CC2)c1 ZINC000262904033 135322968 /nfs/dbraw/zinc/32/29/68/135322968.db2.gz DXIZANTXFNZCLK-UHFFFAOYSA-N 2 1 236.319 0.171 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221669 135340432 /nfs/dbraw/zinc/34/04/32/135340432.db2.gz LYQGPCPBIBJDIO-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263221668 135340436 /nfs/dbraw/zinc/34/04/36/135340436.db2.gz LYQGPCPBIBJDIO-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000334606721 135783985 /nfs/dbraw/zinc/78/39/85/135783985.db2.gz ODFKKBRKHZNIKC-NXEZZACHSA-N 2 1 243.376 0.236 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000335183343 135965322 /nfs/dbraw/zinc/96/53/22/135965322.db2.gz BKVSOVRJCGCDDH-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285056 136002279 /nfs/dbraw/zinc/00/22/79/136002279.db2.gz IOVCTQMLLVIIPY-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335342237 136064882 /nfs/dbraw/zinc/06/48/82/136064882.db2.gz SHGBLGQWULCCAZ-GXSJLCMTSA-N 2 1 231.315 0.002 20 0 BCADMP [NH3+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335375221 136085418 /nfs/dbraw/zinc/08/54/18/136085418.db2.gz MMCYFLBMAGOKIO-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389126 136090213 /nfs/dbraw/zinc/09/02/13/136090213.db2.gz JKFPRTNMMRCHQN-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257729155 397828237 /nfs/dbraw/zinc/82/82/37/397828237.db2.gz UVOKNFSUSABJTK-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000309253043 397854554 /nfs/dbraw/zinc/85/45/54/397854554.db2.gz FPFKKAYRHFHMIG-ZCFIWIBFSA-N 2 1 223.267 0.070 20 0 BCADMP CO[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182171646 397824766 /nfs/dbraw/zinc/82/47/66/397824766.db2.gz FXUPILFFBFSEIT-GHMZBOCLSA-N 2 1 200.326 0.905 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000054133118 397903410 /nfs/dbraw/zinc/90/34/10/397903410.db2.gz IGUKUUJIKMXMCJ-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CC[N@@H+](CCC[NH2+]C)C[C@@H]1CCOC1 ZINC000389910198 397997792 /nfs/dbraw/zinc/99/77/92/397997792.db2.gz ITQVCVBRRLLSKH-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953163 398009648 /nfs/dbraw/zinc/00/96/48/398009648.db2.gz FVGXRAPNDJIGBH-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCO)C1 ZINC000373116480 398013747 /nfs/dbraw/zinc/01/37/47/398013747.db2.gz WLTQUWLJZJOMGF-NSHDSACASA-N 2 1 223.320 0.982 20 0 BCADMP CC[C@@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336732890 398029096 /nfs/dbraw/zinc/02/90/96/398029096.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336732890 398029098 /nfs/dbraw/zinc/02/90/98/398029098.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336732890 398029100 /nfs/dbraw/zinc/02/91/00/398029100.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336732890 398029102 /nfs/dbraw/zinc/02/91/02/398029102.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 2 1 244.379 0.534 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637863276 398032298 /nfs/dbraw/zinc/03/22/98/398032298.db2.gz WTVXNZNRGMCOAE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688271 398036209 /nfs/dbraw/zinc/03/62/09/398036209.db2.gz YDICYVBLCJBUGJ-UHFFFAOYSA-N 2 1 213.325 0.102 20 0 BCADMP CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688271 398036213 /nfs/dbraw/zinc/03/62/13/398036213.db2.gz YDICYVBLCJBUGJ-UHFFFAOYSA-N 2 1 213.325 0.102 20 0 BCADMP C[NH+](C)CCN1CC[N@H+](CC2CC2)CC1=O ZINC000649686926 398036395 /nfs/dbraw/zinc/03/63/95/398036395.db2.gz BBINDPQPQBIFQI-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP C[NH+](C)CCN1CC[N@@H+](CC2CC2)CC1=O ZINC000649686926 398036398 /nfs/dbraw/zinc/03/63/98/398036398.db2.gz BBINDPQPQBIFQI-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP COC[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341741 398043421 /nfs/dbraw/zinc/04/34/21/398043421.db2.gz FXPPIFGYPVPKKG-VHSXEESVSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000389708045 397987500 /nfs/dbraw/zinc/98/75/00/397987500.db2.gz LJYQNXWRVDUPJP-GXSJLCMTSA-N 2 1 208.309 0.621 20 0 BCADMP CC[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)C(C)C ZINC000491853677 398075384 /nfs/dbraw/zinc/07/53/84/398075384.db2.gz VVZUAUCIUAQZTK-FPLPWBNLSA-N 2 1 241.379 0.951 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638189580 398078872 /nfs/dbraw/zinc/07/88/72/398078872.db2.gz DFBBTKBBIQOVSC-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCN(C)C1=O)C2 ZINC000116391117 398089981 /nfs/dbraw/zinc/08/99/81/398089981.db2.gz BGRQSJZIQHHKGG-WDEREUQCSA-N 2 1 248.330 0.327 20 0 BCADMP C[C@@H](c1ccncc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000383992576 398054713 /nfs/dbraw/zinc/05/47/13/398054713.db2.gz UZUXNBUPIUIXIQ-ONGXEEELSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000383992576 398054716 /nfs/dbraw/zinc/05/47/16/398054716.db2.gz UZUXNBUPIUIXIQ-ONGXEEELSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000414923816 398099876 /nfs/dbraw/zinc/09/98/76/398099876.db2.gz IBYRHEADMFEGAQ-LOWDOPEQSA-N 3 1 225.380 0.962 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC(C)(C)C)C1 ZINC000336656760 173163944 /nfs/dbraw/zinc/16/39/44/173163944.db2.gz OWLLXIYZOJPQBV-NSHDSACASA-N 2 1 200.326 0.689 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CC(C)(C)C)C1 ZINC000336656760 173163945 /nfs/dbraw/zinc/16/39/45/173163945.db2.gz OWLLXIYZOJPQBV-NSHDSACASA-N 2 1 200.326 0.689 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000341948522 167094059 /nfs/dbraw/zinc/09/40/59/167094059.db2.gz UNSWLUFNMHXQBW-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000086852929 487569035 /nfs/dbraw/zinc/56/90/35/487569035.db2.gz DSIUFMAKFPIANZ-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000238208651 487570068 /nfs/dbraw/zinc/57/00/68/487570068.db2.gz ISZAZYDTLREEDA-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020419999 487574709 /nfs/dbraw/zinc/57/47/09/487574709.db2.gz PCPDZFIERRQRGP-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020419999 487574714 /nfs/dbraw/zinc/57/47/14/487574714.db2.gz PCPDZFIERRQRGP-JTQLQIEISA-N 2 1 229.368 0.960 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419994 487574592 /nfs/dbraw/zinc/57/45/92/487574592.db2.gz MNFOIZOAJPVYEW-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419994 487574594 /nfs/dbraw/zinc/57/45/94/487574594.db2.gz MNFOIZOAJPVYEW-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000082241803 487580307 /nfs/dbraw/zinc/58/03/07/487580307.db2.gz GQMGFBSQPFHNER-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393762186 487580376 /nfs/dbraw/zinc/58/03/76/487580376.db2.gz OEVVNZOULWSLLP-GRYCIOLGSA-N 2 1 214.353 0.887 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393762186 487580383 /nfs/dbraw/zinc/58/03/83/487580383.db2.gz OEVVNZOULWSLLP-GRYCIOLGSA-N 2 1 214.353 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000393762186 487580398 /nfs/dbraw/zinc/58/03/98/487580398.db2.gz OEVVNZOULWSLLP-GRYCIOLGSA-N 2 1 214.353 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000393762186 487580400 /nfs/dbraw/zinc/58/04/00/487580400.db2.gz OEVVNZOULWSLLP-GRYCIOLGSA-N 2 1 214.353 0.887 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000082241657 487580471 /nfs/dbraw/zinc/58/04/71/487580471.db2.gz UMWGNOMXJPGYNW-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP OCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000238659036 487590096 /nfs/dbraw/zinc/59/00/96/487590096.db2.gz HDKJLGAUJWLBNT-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263400 409555342 /nfs/dbraw/zinc/55/53/42/409555342.db2.gz ARNAOUXCCJMYKQ-IJLUTSLNSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266321 409564056 /nfs/dbraw/zinc/56/40/56/409564056.db2.gz LZKVBSZIELGXRV-QJPTWQEYSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@](CN)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248024 409543567 /nfs/dbraw/zinc/54/35/67/409543567.db2.gz RARBYVWQOLUBFU-RYUDHWBXSA-N 2 1 239.363 0.224 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662318217 409636581 /nfs/dbraw/zinc/63/65/81/409636581.db2.gz XVCQSPAMKIOFDK-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC ZINC000662273210 409581325 /nfs/dbraw/zinc/58/13/25/409581325.db2.gz KGMFJKAGJMZWNQ-SRVKXCTJSA-N 2 1 228.336 0.332 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277205 409588875 /nfs/dbraw/zinc/58/88/75/409588875.db2.gz NGYXNFMNCRDPIB-QWRGUYRKSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@@H]1OCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662276406 409589050 /nfs/dbraw/zinc/58/90/50/409589050.db2.gz IKPNATXARAVSBI-SDDRHHMPSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662280892 409601208 /nfs/dbraw/zinc/60/12/08/409601208.db2.gz GWGCIFPWLORMLS-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000662513936 409741480 /nfs/dbraw/zinc/74/14/80/409741480.db2.gz HKGRBBWGYGIMEH-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000662513937 409741636 /nfs/dbraw/zinc/74/16/36/409741636.db2.gz HKGRBBWGYGIMEH-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+](CC)CCCNc1nc(N)nc(N)[nH+]1 ZINC000100719067 409781017 /nfs/dbraw/zinc/78/10/17/409781017.db2.gz VDFCRTSUOFEUKD-UHFFFAOYSA-N 2 1 239.327 0.180 20 0 BCADMP CCC[NH2+]CCNC(=O)CC(F)(F)C[NH3+] ZINC000653126952 409835799 /nfs/dbraw/zinc/83/57/99/409835799.db2.gz QFRIGWNRBZRQLN-UHFFFAOYSA-N 2 1 223.267 0.086 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623445 409794156 /nfs/dbraw/zinc/79/41/56/409794156.db2.gz XWPWGSRFFRJJLX-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653104816 409797933 /nfs/dbraw/zinc/79/79/33/409797933.db2.gz WEDWRHGYAXPBAZ-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000653142853 409867655 /nfs/dbraw/zinc/86/76/55/409867655.db2.gz ZDVSOMMQSAKREJ-MRVPVSSYSA-N 2 1 247.289 0.229 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)CN(C[C@@H](C)O)C1CC1 ZINC000660925706 409975029 /nfs/dbraw/zinc/97/50/29/409975029.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000660925706 409975036 /nfs/dbraw/zinc/97/50/36/409975036.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000660925706 409975040 /nfs/dbraw/zinc/97/50/40/409975040.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889749 409938233 /nfs/dbraw/zinc/93/82/33/409938233.db2.gz FMSKDOGKSDVPFF-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000662839413 409948007 /nfs/dbraw/zinc/94/80/07/409948007.db2.gz QNXLPZNDGAFTQC-WDEREUQCSA-N 2 1 237.347 0.611 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309013591 487612937 /nfs/dbraw/zinc/61/29/37/487612937.db2.gz QBTHYYJPHZBXBS-KXUCPTDWSA-N 2 1 213.325 0.193 20 0 BCADMP CCn1nccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000663514849 410285494 /nfs/dbraw/zinc/28/54/94/410285494.db2.gz UTFTZPJUYMDOPD-LBPRGKRZSA-N 2 1 222.336 0.992 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748504 410389953 /nfs/dbraw/zinc/38/99/53/410389953.db2.gz VLNYSNSIZBHPCM-MNOVXSKESA-N 3 1 211.353 0.703 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761728 410409568 /nfs/dbraw/zinc/40/95/68/410409568.db2.gz IQGAYQZLOFWUIV-WCQYABFASA-N 3 1 225.380 0.964 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000335597414 410450620 /nfs/dbraw/zinc/45/06/20/410450620.db2.gz VJJIHUJUYKASQR-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000309222517 410459258 /nfs/dbraw/zinc/45/92/58/410459258.db2.gz YOVULUROVXCTKM-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000655460169 410571684 /nfs/dbraw/zinc/57/16/84/410571684.db2.gz WZAVSKWGLYYNCD-JQWIXIFHSA-N 2 1 248.330 0.162 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070087282 410589980 /nfs/dbraw/zinc/58/99/80/410589980.db2.gz NRWOKLFLOPXGIK-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000665297217 410815291 /nfs/dbraw/zinc/81/52/91/410815291.db2.gz BGIRCNATIUYEKC-ZJUUUORDSA-N 2 1 225.340 0.599 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000665297215 410813859 /nfs/dbraw/zinc/81/38/59/410813859.db2.gz BGIRCNATIUYEKC-UWVGGRQHSA-N 2 1 225.340 0.599 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673761 410886684 /nfs/dbraw/zinc/88/66/84/410886684.db2.gz KQCICCNIEJTDAY-PWSUYJOCSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673740 410886444 /nfs/dbraw/zinc/88/64/44/410886444.db2.gz BUGMXZPNYNZRFL-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332697877 167033860 /nfs/dbraw/zinc/03/38/60/167033860.db2.gz LSOCAKSKBHCTGH-GMTAPVOTSA-N 2 1 225.336 0.465 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000128930843 167044383 /nfs/dbraw/zinc/04/43/83/167044383.db2.gz LVOXDRIPWAIJOE-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645408 167052170 /nfs/dbraw/zinc/05/21/70/167052170.db2.gz SDNONRDWZXDJLL-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645408 167052171 /nfs/dbraw/zinc/05/21/71/167052171.db2.gz SDNONRDWZXDJLL-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP COCCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309257280 410911910 /nfs/dbraw/zinc/91/19/10/410911910.db2.gz OOOJEXLDZLWGNN-LBPRGKRZSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309257280 410911913 /nfs/dbraw/zinc/91/19/13/410911913.db2.gz OOOJEXLDZLWGNN-LBPRGKRZSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309257280 410911921 /nfs/dbraw/zinc/91/19/21/410911921.db2.gz OOOJEXLDZLWGNN-LBPRGKRZSA-N 2 1 232.368 0.656 20 0 BCADMP COCCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309257280 410911924 /nfs/dbraw/zinc/91/19/24/410911924.db2.gz OOOJEXLDZLWGNN-LBPRGKRZSA-N 2 1 232.368 0.656 20 0 BCADMP OC[C@@H](CCF)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000652018496 410991698 /nfs/dbraw/zinc/99/16/98/410991698.db2.gz VBBJJNGNKDUCQF-LLVKDONJSA-N 2 1 230.327 0.923 20 0 BCADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)[NH3+] ZINC000399692548 411059541 /nfs/dbraw/zinc/05/95/41/411059541.db2.gz YMKBNQUSGLNPRO-UTUOFQBUSA-N 2 1 241.379 0.816 20 0 BCADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000652025227 411081083 /nfs/dbraw/zinc/08/10/83/411081083.db2.gz WTEHPTSLSAXHIF-SRVKXCTJSA-N 2 1 230.327 0.923 20 0 BCADMP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400910193 411162900 /nfs/dbraw/zinc/16/29/00/411162900.db2.gz BEILLCFCZPTBOV-IJLUTSLNSA-N 2 1 249.362 0.633 20 0 BCADMP Cc1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000400910193 411162905 /nfs/dbraw/zinc/16/29/05/411162905.db2.gz BEILLCFCZPTBOV-IJLUTSLNSA-N 2 1 249.362 0.633 20 0 BCADMP CCc1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000044514340 411137312 /nfs/dbraw/zinc/13/73/12/411137312.db2.gz KCNUGMMMOBELBU-UHFFFAOYSA-N 2 1 224.308 0.803 20 0 BCADMP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400910190 411163742 /nfs/dbraw/zinc/16/37/42/411163742.db2.gz BEILLCFCZPTBOV-GRYCIOLGSA-N 2 1 249.362 0.633 20 0 BCADMP Cc1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000400910190 411163744 /nfs/dbraw/zinc/16/37/44/411163744.db2.gz BEILLCFCZPTBOV-GRYCIOLGSA-N 2 1 249.362 0.633 20 0 BCADMP C[C@H]1C[C@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891117 411149146 /nfs/dbraw/zinc/14/91/46/411149146.db2.gz IDBISTPIVBFLIZ-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[C@H]1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891117 411149147 /nfs/dbraw/zinc/14/91/47/411149147.db2.gz IDBISTPIVBFLIZ-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP Cc1noc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000655948849 411161727 /nfs/dbraw/zinc/16/17/27/411161727.db2.gz GKDOOMPIWGPKLA-JTQLQIEISA-N 2 1 224.308 0.809 20 0 BCADMP Cc1noc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000655948849 411161733 /nfs/dbraw/zinc/16/17/33/411161733.db2.gz GKDOOMPIWGPKLA-JTQLQIEISA-N 2 1 224.308 0.809 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH3+] ZINC000652201592 411170702 /nfs/dbraw/zinc/17/07/02/411170702.db2.gz KDIFZTNFPUAGJG-UHFFFAOYSA-N 2 1 230.356 0.222 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000401028557 411173700 /nfs/dbraw/zinc/17/37/00/411173700.db2.gz BGFKIRPSVVMRPS-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132956117 411177679 /nfs/dbraw/zinc/17/76/79/411177679.db2.gz MMOYFRJKGAWXFH-AXFHLTTASA-N 2 1 227.352 0.569 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133566 411243631 /nfs/dbraw/zinc/24/36/31/411243631.db2.gz MYCWSMXIWAGCOP-LLVKDONJSA-N 2 1 229.368 0.816 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000656193165 411199381 /nfs/dbraw/zinc/19/93/81/411199381.db2.gz WJCHGNPZGLXFAL-GRYCIOLGSA-N 3 1 211.353 0.988 20 0 BCADMP Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000656193949 411199476 /nfs/dbraw/zinc/19/94/76/411199476.db2.gz ZWBLEXPAQYLSOY-NXEZZACHSA-N 2 1 235.335 0.014 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338479 411204203 /nfs/dbraw/zinc/20/42/03/411204203.db2.gz ICPMTHOPRFDOEU-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000652337580 411204888 /nfs/dbraw/zinc/20/48/88/411204888.db2.gz WKZOECWNYJFEQK-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000652337580 411204890 /nfs/dbraw/zinc/20/48/90/411204890.db2.gz WKZOECWNYJFEQK-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200263 411205159 /nfs/dbraw/zinc/20/51/59/411205159.db2.gz KPDREHRSEJMFBA-FVCCEPFGSA-N 3 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000652341826 411205414 /nfs/dbraw/zinc/20/54/14/411205414.db2.gz XZFZWYVQWRIHNN-KBPBESRZSA-N 2 1 249.358 0.841 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029136 411205379 /nfs/dbraw/zinc/20/53/79/411205379.db2.gz GOZNTCUDPHZNFG-WODVXLOZSA-N 2 1 249.362 0.881 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000652341828 411205699 /nfs/dbraw/zinc/20/56/99/411205699.db2.gz XZFZWYVQWRIHNN-UONOGXRCSA-N 2 1 249.358 0.841 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000652341541 411207271 /nfs/dbraw/zinc/20/72/71/411207271.db2.gz XPJFQJPCRPSFIO-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)[C@H]1CCC[NH2+]1 ZINC000656201878 411207676 /nfs/dbraw/zinc/20/76/76/411207676.db2.gz UBMDHEMSOPQDFW-HBNTYKKESA-N 2 1 249.362 0.403 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347020 411209027 /nfs/dbraw/zinc/20/90/27/411209027.db2.gz OFXUJESIWMJSBK-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000077302150 411217710 /nfs/dbraw/zinc/21/77/10/411217710.db2.gz ZKXKAYRTOWQEIQ-LBPRGKRZSA-N 2 1 208.305 0.481 20 0 BCADMP C[N@@H+](CCc1ccccc1)C[C@H](O)C[NH3+] ZINC000077302147 411217837 /nfs/dbraw/zinc/21/78/37/411217837.db2.gz ZKXKAYRTOWQEIQ-GFCCVEGCSA-N 2 1 208.305 0.481 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310184168 411219006 /nfs/dbraw/zinc/21/90/06/411219006.db2.gz XATILWADOYJSTQ-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310184168 411219008 /nfs/dbraw/zinc/21/90/08/411219008.db2.gz XATILWADOYJSTQ-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653904191 411219297 /nfs/dbraw/zinc/21/92/97/411219297.db2.gz OURLZMAWVAEQKU-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653904191 411219300 /nfs/dbraw/zinc/21/93/00/411219300.db2.gz OURLZMAWVAEQKU-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653904191 411219304 /nfs/dbraw/zinc/21/93/04/411219304.db2.gz OURLZMAWVAEQKU-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653904191 411219306 /nfs/dbraw/zinc/21/93/06/411219306.db2.gz OURLZMAWVAEQKU-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP O=C1NCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658052739 411219869 /nfs/dbraw/zinc/21/98/69/411219869.db2.gz GMVVHJUOAUUCHB-GFCCVEGCSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H](CO)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310219040 411225424 /nfs/dbraw/zinc/22/54/24/411225424.db2.gz FRHACTDBEXXNMT-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CO)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310219040 411225427 /nfs/dbraw/zinc/22/54/27/411225427.db2.gz FRHACTDBEXXNMT-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655785698 411228013 /nfs/dbraw/zinc/22/80/13/411228013.db2.gz NDUVEUHFGMHDGG-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000655786039 411228975 /nfs/dbraw/zinc/22/89/75/411228975.db2.gz NRNCSEKGEKOION-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(CCC[NH3+])nn1 ZINC000656435807 411247696 /nfs/dbraw/zinc/24/76/96/411247696.db2.gz KHDYMLZJSVLGTM-UHFFFAOYSA-N 2 1 234.307 0.434 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000310422137 411236084 /nfs/dbraw/zinc/23/60/84/411236084.db2.gz QVIBSFNSRAYOOJ-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000310422137 411236088 /nfs/dbraw/zinc/23/60/88/411236088.db2.gz QVIBSFNSRAYOOJ-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000310422137 411236090 /nfs/dbraw/zinc/23/60/90/411236090.db2.gz QVIBSFNSRAYOOJ-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CO[C@H]1CCCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542884 411240523 /nfs/dbraw/zinc/24/05/23/411240523.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728956 411240633 /nfs/dbraw/zinc/24/06/33/411240633.db2.gz CKCPMNKWIADHHO-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]n1 ZINC000400958377 411166668 /nfs/dbraw/zinc/16/66/68/411166668.db2.gz IAQDIEQPOWKAHX-HBNTYKKESA-N 2 1 220.320 0.887 20 0 BCADMP CC(C)(O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711438 411265399 /nfs/dbraw/zinc/26/53/99/411265399.db2.gz JGMBQXVDSBVCSJ-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP CCc1[nH+]ccn1Cc1cn(C[C@H](C)[NH3+])nn1 ZINC000656456885 411265806 /nfs/dbraw/zinc/26/58/06/411265806.db2.gz NGDXPOOFXKWXQH-VIFPVBQESA-N 2 1 234.307 0.433 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062858945 411327231 /nfs/dbraw/zinc/32/72/31/411327231.db2.gz XMLZEYSQEANKNE-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](C[NH3+])n1cc(C[NH+]2CCCCC2)nn1 ZINC000656457435 411266400 /nfs/dbraw/zinc/26/64/00/411266400.db2.gz ANTCEGAHZOGIBL-SNVBAGLBSA-N 2 1 223.324 0.784 20 0 BCADMP Cc1cncc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000402596413 411270072 /nfs/dbraw/zinc/27/00/72/411270072.db2.gz OLQLHRWNVOMMPB-RYUDHWBXSA-N 2 1 232.331 0.479 20 0 BCADMP C[C@@H]([NH3+])Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000656463973 411271768 /nfs/dbraw/zinc/27/17/68/411271768.db2.gz RJZLGEQNPCUFIJ-SNVBAGLBSA-N 2 1 223.324 0.611 20 0 BCADMP CCCc1[nH+]ccn1C[C@H]1C[NH2+]CCO1 ZINC000070649676 411283182 /nfs/dbraw/zinc/28/31/82/411283182.db2.gz WDYIFFHHXLAKTD-SNVBAGLBSA-N 2 1 209.293 0.824 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889752 411284702 /nfs/dbraw/zinc/28/47/02/411284702.db2.gz JDEAINBFTLYSDT-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889752 411284704 /nfs/dbraw/zinc/28/47/04/411284704.db2.gz JDEAINBFTLYSDT-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919203 411286339 /nfs/dbraw/zinc/28/63/39/411286339.db2.gz CAPUMUUZOIIBLW-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000654007606 411311469 /nfs/dbraw/zinc/31/14/69/411311469.db2.gz BKQCLFHNDOAUKW-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000654007606 411311471 /nfs/dbraw/zinc/31/14/71/411311471.db2.gz BKQCLFHNDOAUKW-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259667 411318162 /nfs/dbraw/zinc/31/81/62/411318162.db2.gz NGGNMRYGWZBUBD-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+](C)CCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440148 411257123 /nfs/dbraw/zinc/25/71/23/411257123.db2.gz ASSGZLCVQCGRBO-UHFFFAOYSA-N 2 1 217.276 0.766 20 0 BCADMP [NH3+]CCCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441293 411259591 /nfs/dbraw/zinc/25/95/91/411259591.db2.gz XXFLIBTWRSVUGD-UHFFFAOYSA-N 2 1 203.249 0.554 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660616466 411355640 /nfs/dbraw/zinc/35/56/40/411355640.db2.gz LOGFAQXVXXSOFM-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660616466 411355641 /nfs/dbraw/zinc/35/56/41/411355641.db2.gz LOGFAQXVXXSOFM-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660616466 411355643 /nfs/dbraw/zinc/35/56/43/411355643.db2.gz LOGFAQXVXXSOFM-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000216194594 411360480 /nfs/dbraw/zinc/36/04/80/411360480.db2.gz FEUHBORYGQBLEG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000216194594 411360484 /nfs/dbraw/zinc/36/04/84/411360484.db2.gz FEUHBORYGQBLEG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000656786848 411365405 /nfs/dbraw/zinc/36/54/05/411365405.db2.gz BGNLKSPPRADHQK-ZDUSSCGKSA-N 2 1 249.362 0.600 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786836 411366105 /nfs/dbraw/zinc/36/61/05/411366105.db2.gz AZINWEUWBLLRMF-CHWSQXEVSA-N 2 1 249.362 0.600 20 0 BCADMP C[N@H+](C[C@H]1COCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000656790760 411371185 /nfs/dbraw/zinc/37/11/85/411371185.db2.gz NXBOXDCGIFCSRM-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000656790760 411371187 /nfs/dbraw/zinc/37/11/87/411371187.db2.gz NXBOXDCGIFCSRM-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@H](c1cccnc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148534 411334707 /nfs/dbraw/zinc/33/47/07/411334707.db2.gz VUCQDVMFMSZMGR-CYBMUJFWSA-N 2 1 248.374 0.980 20 0 BCADMP C[C@H](c1ccccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148827 411334781 /nfs/dbraw/zinc/33/47/81/411334781.db2.gz MTVSCYDYFXGYSA-CYBMUJFWSA-N 2 1 248.374 0.980 20 0 BCADMP C[C@@H](c1cccnc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148532 411334887 /nfs/dbraw/zinc/33/48/87/411334887.db2.gz VUCQDVMFMSZMGR-ZDUSSCGKSA-N 2 1 248.374 0.980 20 0 BCADMP FC1(F)C[C@@H]1OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849012 411340470 /nfs/dbraw/zinc/34/04/70/411340470.db2.gz DRBNGZDLLOGYKX-AEJSXWLSSA-N 2 1 232.274 0.562 20 0 BCADMP FC1(F)C[C@@H]1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849012 411340473 /nfs/dbraw/zinc/34/04/73/411340473.db2.gz DRBNGZDLLOGYKX-AEJSXWLSSA-N 2 1 232.274 0.562 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(C)CC1 ZINC000167428524 411340707 /nfs/dbraw/zinc/34/07/07/411340707.db2.gz VUGLBZSEMZHWBO-UWVGGRQHSA-N 2 1 200.326 0.687 20 0 BCADMP FC1(F)C[C@@H]1OCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659849013 411341756 /nfs/dbraw/zinc/34/17/56/411341756.db2.gz DRBNGZDLLOGYKX-BBBLOLIVSA-N 2 1 232.274 0.562 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404299756 411389921 /nfs/dbraw/zinc/38/99/21/411389921.db2.gz FQDBWCQZGCUONP-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404299754 411390239 /nfs/dbraw/zinc/39/02/39/411390239.db2.gz FQDBWCQZGCUONP-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404274338 411387759 /nfs/dbraw/zinc/38/77/59/411387759.db2.gz AGDRLJLLPLQPKX-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404274338 411387761 /nfs/dbraw/zinc/38/77/61/411387761.db2.gz AGDRLJLLPLQPKX-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404436056 411396232 /nfs/dbraw/zinc/39/62/32/411396232.db2.gz RKDUCOVTRWDPMU-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)C ZINC000657071594 411402267 /nfs/dbraw/zinc/40/22/67/411402267.db2.gz RVPDLCDJXQUQSR-NSHDSACASA-N 2 1 244.383 0.530 20 0 BCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)C ZINC000657071594 411402268 /nfs/dbraw/zinc/40/22/68/411402268.db2.gz RVPDLCDJXQUQSR-NSHDSACASA-N 2 1 244.383 0.530 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CCO)CC(C)(C)C ZINC000653553910 411420584 /nfs/dbraw/zinc/42/05/84/411420584.db2.gz ISTWCTPZNYOUKH-GFCCVEGCSA-N 2 1 246.395 0.639 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CC(C)(C)C ZINC000653553910 411420585 /nfs/dbraw/zinc/42/05/85/411420585.db2.gz ISTWCTPZNYOUKH-GFCCVEGCSA-N 2 1 246.395 0.639 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)CC(C)(C)C ZINC000653553910 411420589 /nfs/dbraw/zinc/42/05/89/411420589.db2.gz ISTWCTPZNYOUKH-GFCCVEGCSA-N 2 1 246.395 0.639 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564747 411424216 /nfs/dbraw/zinc/42/42/16/411424216.db2.gz KFKMETUCRZJPBS-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564747 411424219 /nfs/dbraw/zinc/42/42/19/411424219.db2.gz KFKMETUCRZJPBS-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000653564747 411424221 /nfs/dbraw/zinc/42/42/21/411424221.db2.gz KFKMETUCRZJPBS-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1COC ZINC000653564747 411424225 /nfs/dbraw/zinc/42/42/25/411424225.db2.gz KFKMETUCRZJPBS-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000659551555 411434678 /nfs/dbraw/zinc/43/46/78/411434678.db2.gz VFRPCCOGCWUXQE-VWYCJHECSA-N 2 1 242.367 0.506 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCCF)C[C@H]1C[NH3+] ZINC000405626301 411437315 /nfs/dbraw/zinc/43/73/15/411437315.db2.gz XNEGLWRGLICWNH-NXEZZACHSA-N 2 1 204.289 0.642 20 0 BCADMP CCO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000405638930 411437823 /nfs/dbraw/zinc/43/78/23/411437823.db2.gz CBRFZHDXDMSXFV-VXGBXAGGSA-N 2 1 238.335 0.216 20 0 BCADMP CCO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000405638930 411437825 /nfs/dbraw/zinc/43/78/25/411437825.db2.gz CBRFZHDXDMSXFV-VXGBXAGGSA-N 2 1 238.335 0.216 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C[NH3+] ZINC000405696666 411439139 /nfs/dbraw/zinc/43/91/39/411439139.db2.gz PGHTTYZJFFFAEE-VXGBXAGGSA-N 2 1 230.352 0.707 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000659609175 411441248 /nfs/dbraw/zinc/44/12/48/411441248.db2.gz IIGMRUJOBVTQPI-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611149 411441600 /nfs/dbraw/zinc/44/16/00/411441600.db2.gz PTOWBAKJDYTUGX-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611150 411441697 /nfs/dbraw/zinc/44/16/97/411441697.db2.gz PTOWBAKJDYTUGX-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632235 411452758 /nfs/dbraw/zinc/45/27/58/411452758.db2.gz LJFKXYHUHQQDPS-YVECIDJPSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632235 411452764 /nfs/dbraw/zinc/45/27/64/411452764.db2.gz LJFKXYHUHQQDPS-YVECIDJPSA-N 2 1 244.379 0.533 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632235 411452768 /nfs/dbraw/zinc/45/27/68/411452768.db2.gz LJFKXYHUHQQDPS-YVECIDJPSA-N 2 1 244.379 0.533 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632235 411452771 /nfs/dbraw/zinc/45/27/71/411452771.db2.gz LJFKXYHUHQQDPS-YVECIDJPSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000653632234 411453035 /nfs/dbraw/zinc/45/30/35/411453035.db2.gz LJFKXYHUHQQDPS-WZRBSPASSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000653632234 411453038 /nfs/dbraw/zinc/45/30/38/411453038.db2.gz LJFKXYHUHQQDPS-WZRBSPASSA-N 2 1 244.379 0.533 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529223 411486203 /nfs/dbraw/zinc/48/62/03/411486203.db2.gz APCMFEGNZWIHBA-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP COC[C@@](C)(CO)NCc1cnc(C)n1C ZINC000657389059 411491651 /nfs/dbraw/zinc/49/16/51/411491651.db2.gz JIWXDVQXOQUEGV-LLVKDONJSA-N 2 1 227.308 0.216 20 0 BCADMP CC(C)(C)C[N@@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000309484570 411498936 /nfs/dbraw/zinc/49/89/36/411498936.db2.gz FSXYODLXEAXJNU-LLVKDONJSA-N 2 1 214.353 0.936 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544196 411511994 /nfs/dbraw/zinc/51/19/94/411511994.db2.gz QYVQZXZWNALZMO-PGLGOXFNSA-N 2 1 240.351 0.285 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000336752555 411513765 /nfs/dbraw/zinc/51/37/65/411513765.db2.gz GZOQSMARTQDPQX-GARJFASQSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000336752553 411513958 /nfs/dbraw/zinc/51/39/58/411513958.db2.gz GZOQSMARTQDPQX-DCAQKATOSA-N 2 1 214.353 0.933 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000037484139 170006647 /nfs/dbraw/zinc/00/66/47/170006647.db2.gz JFVYFTFLUKUYRZ-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999703 170009851 /nfs/dbraw/zinc/00/98/51/170009851.db2.gz UFJRPAWHTQKHSN-JHJVBQTASA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999703 170009852 /nfs/dbraw/zinc/00/98/52/170009852.db2.gz UFJRPAWHTQKHSN-JHJVBQTASA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)C[C@H]1C ZINC000357254784 170009890 /nfs/dbraw/zinc/00/98/90/170009890.db2.gz ZIZFDQJRGKEUBT-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH3+])[C@@H](C)C1 ZINC000246262661 170010569 /nfs/dbraw/zinc/01/05/69/170010569.db2.gz LDJYNLHXHYCWKM-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000236846672 170010732 /nfs/dbraw/zinc/01/07/32/170010732.db2.gz PFISQAIHJLOXSU-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C)[C@@H](C)C1 ZINC000308864806 170011973 /nfs/dbraw/zinc/01/19/73/170011973.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864806 170011974 /nfs/dbraw/zinc/01/19/74/170011974.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864806 170011975 /nfs/dbraw/zinc/01/19/75/170011975.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335150627 170013353 /nfs/dbraw/zinc/01/33/53/170013353.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335150627 170013355 /nfs/dbraw/zinc/01/33/55/170013355.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335150627 170013356 /nfs/dbraw/zinc/01/33/56/170013356.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464018 170015757 /nfs/dbraw/zinc/01/57/57/170015757.db2.gz IGDRZIASAYLXKY-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044802666 170015787 /nfs/dbraw/zinc/01/57/87/170015787.db2.gz YFKAYFBHZIUWDY-NEPJUHHUSA-N 2 1 241.379 0.675 20 0 BCADMP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236903793 170015926 /nfs/dbraw/zinc/01/59/26/170015926.db2.gz AIPDSPBCYCTRQA-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236903793 170015927 /nfs/dbraw/zinc/01/59/27/170015927.db2.gz AIPDSPBCYCTRQA-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH3+])[C@@H](C)C1 ZINC000246262641 170016605 /nfs/dbraw/zinc/01/66/05/170016605.db2.gz LDJYNLHXHYCWKM-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000250361149 170017111 /nfs/dbraw/zinc/01/71/11/170017111.db2.gz UAJSUKJGWPIBRH-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])C[C@H]1C ZINC000357253135 170018303 /nfs/dbraw/zinc/01/83/03/170018303.db2.gz WRUGUOCSNKKDDI-UTUOFQBUSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](COC)OC)[C@@H](C)C1 ZINC000358428909 170020159 /nfs/dbraw/zinc/02/01/59/170020159.db2.gz DWKKBHSVJCZMOF-AVGNSLFASA-N 2 1 244.379 0.968 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000358225810 170021097 /nfs/dbraw/zinc/02/10/97/170021097.db2.gz MRLOODQJKKJNHW-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH2+]C ZINC000367641900 170023918 /nfs/dbraw/zinc/02/39/18/170023918.db2.gz FZDGTDHBFBFXEF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332639664 170040514 /nfs/dbraw/zinc/04/05/14/170040514.db2.gz AMCSLWQRJGQBFH-BBBLOLIVSA-N 2 1 211.309 0.077 20 0 BCADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000657543831 411547212 /nfs/dbraw/zinc/54/72/12/411547212.db2.gz NCZSFDBWMJQTRF-DGCLKSJQSA-N 2 1 242.363 0.722 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368311492 170206341 /nfs/dbraw/zinc/20/63/41/170206341.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368311492 170206342 /nfs/dbraw/zinc/20/63/42/170206342.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368311492 170206343 /nfs/dbraw/zinc/20/63/43/170206343.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368311492 170206344 /nfs/dbraw/zinc/20/63/44/170206344.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724275 170218495 /nfs/dbraw/zinc/21/84/95/170218495.db2.gz KXDVLSWITFRCIZ-SNVBAGLBSA-N 2 1 214.309 0.610 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)CC1(CO)CC1 ZINC000660374917 411575451 /nfs/dbraw/zinc/57/54/51/411575451.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000660374917 411575453 /nfs/dbraw/zinc/57/54/53/411575453.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000660374917 411575455 /nfs/dbraw/zinc/57/54/55/411575455.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000660374917 411575457 /nfs/dbraw/zinc/57/54/57/411575457.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000660374917 411575459 /nfs/dbraw/zinc/57/54/59/411575459.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836916 411609430 /nfs/dbraw/zinc/60/94/30/411609430.db2.gz XVHBZMZDPSBIGG-VXGBXAGGSA-N 2 1 249.362 0.741 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840716 411609859 /nfs/dbraw/zinc/60/98/59/411609859.db2.gz VLRAAQKQJHREQH-UPJWGTAASA-N 2 1 249.362 0.883 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657845558 411610686 /nfs/dbraw/zinc/61/06/86/411610686.db2.gz MAMNZJMLZMMKJH-NSHDSACASA-N 2 1 248.334 0.851 20 0 BCADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCO)C2 ZINC000660654084 411613644 /nfs/dbraw/zinc/61/36/44/411613644.db2.gz FQONITGEDPXPIP-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCO)C2 ZINC000660654084 411613645 /nfs/dbraw/zinc/61/36/45/411613645.db2.gz FQONITGEDPXPIP-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCO)C2 ZINC000660654084 411613646 /nfs/dbraw/zinc/61/36/46/411613646.db2.gz FQONITGEDPXPIP-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP CNC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656834 411614257 /nfs/dbraw/zinc/61/42/57/411614257.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656834 411614259 /nfs/dbraw/zinc/61/42/59/411614259.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656834 411614260 /nfs/dbraw/zinc/61/42/60/411614260.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876348 411614687 /nfs/dbraw/zinc/61/46/87/411614687.db2.gz LLTUXHBFPMUWBX-NEPJUHHUSA-N 2 1 237.351 0.598 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657876358 411614739 /nfs/dbraw/zinc/61/47/39/411614739.db2.gz LLTUXHBFPMUWBX-VXGBXAGGSA-N 2 1 237.351 0.598 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500169 411682974 /nfs/dbraw/zinc/68/29/74/411682974.db2.gz YNBRDQGLNLHHAL-MDZLAQPJSA-N 3 1 223.364 0.574 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499586 411683036 /nfs/dbraw/zinc/68/30/36/411683036.db2.gz YWZSAEHLEPINCY-BMQDGWLCSA-N 2 1 225.336 0.195 20 0 BCADMP c1cc(NC2C[NH2+]C2)nc(N2CCCCC2)[nH+]1 ZINC000580414483 411700080 /nfs/dbraw/zinc/70/00/80/411700080.db2.gz ZTNOIHLBWXPKKL-UHFFFAOYSA-N 2 1 233.319 0.851 20 0 BCADMP C[C@@H]([NH3+])CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000634808916 411818520 /nfs/dbraw/zinc/81/85/20/411818520.db2.gz GNBYJJOHLFCVJA-SFYZADRCSA-N 2 1 225.296 0.028 20 0 BCADMP CC1([NH3+])CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647530978 411890983 /nfs/dbraw/zinc/89/09/83/411890983.db2.gz SVSJDAMNWABKMM-UHFFFAOYSA-N 2 1 220.320 0.977 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661828719 411894031 /nfs/dbraw/zinc/89/40/31/411894031.db2.gz VPPZRKKGIPEBOL-UTUOFQBUSA-N 2 1 242.363 0.192 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661828717 411894413 /nfs/dbraw/zinc/89/44/13/411894413.db2.gz VPPZRKKGIPEBOL-GRYCIOLGSA-N 2 1 242.363 0.192 20 0 BCADMP C[NH+](C)CCC[N@H+](C)CCNc1cccnn1 ZINC000664247619 411898123 /nfs/dbraw/zinc/89/81/23/411898123.db2.gz DRIABNWYRPZAOJ-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP C[NH+](C)CCC[N@@H+](C)CCNc1cccnn1 ZINC000664247619 411898126 /nfs/dbraw/zinc/89/81/26/411898126.db2.gz DRIABNWYRPZAOJ-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000415121390 411906427 /nfs/dbraw/zinc/90/64/27/411906427.db2.gz GZKOTZGVOFPUCS-RKDXNWHRSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000415121390 411906432 /nfs/dbraw/zinc/90/64/32/411906432.db2.gz GZKOTZGVOFPUCS-RKDXNWHRSA-N 2 1 240.376 1.142 20 0 BCADMP CN(CC1CN(C)C1)c1ncnc2c1OCCN2 ZINC000664331570 411923306 /nfs/dbraw/zinc/92/33/06/411923306.db2.gz YJHLQPNKPNAUSN-UHFFFAOYSA-N 2 1 249.318 0.279 20 0 BCADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000568983425 411930146 /nfs/dbraw/zinc/93/01/46/411930146.db2.gz JLVYPHFQSCXGCX-CBAPKCEASA-N 2 1 226.349 0.813 20 0 BCADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N)nc2)CC[NH2+]1 ZINC000647547092 411931736 /nfs/dbraw/zinc/93/17/36/411931736.db2.gz NLWPGOZMGHVLGO-GXSJLCMTSA-N 2 1 220.320 0.894 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cnc(N)s1 ZINC000629665701 411875645 /nfs/dbraw/zinc/87/56/45/411875645.db2.gz OCOMPFWAZDGRLC-UHFFFAOYSA-N 2 1 230.337 0.132 20 0 BCADMP C[N@@H+](Cc1ccnc(N)c1)CC(C)(C)C[NH3+] ZINC000420298306 411880760 /nfs/dbraw/zinc/88/07/60/411880760.db2.gz ZVLNJGKAVMCVOB-UHFFFAOYSA-N 2 1 222.336 1.081 20 0 BCADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153616 412008621 /nfs/dbraw/zinc/00/86/21/412008621.db2.gz ASCOIGAUIVVIDP-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152193 412009407 /nfs/dbraw/zinc/00/94/07/412009407.db2.gz QQPPZHGNQQITJY-YPMHNXCESA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152193 412009412 /nfs/dbraw/zinc/00/94/12/412009412.db2.gz QQPPZHGNQQITJY-YPMHNXCESA-N 2 1 242.363 0.552 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C)[NH3+] ZINC000664719868 412014747 /nfs/dbraw/zinc/01/47/47/412014747.db2.gz GPIANRCFAYQLMD-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH2+]C ZINC000664720259 412014938 /nfs/dbraw/zinc/01/49/38/412014938.db2.gz JORYNTLBDBLOHP-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP Nc1cc(C[NH2+]CC2([NH3+])CCC2)ccn1 ZINC000572243689 411944802 /nfs/dbraw/zinc/94/48/02/411944802.db2.gz COLUZRRCYDTZSL-UHFFFAOYSA-N 2 1 206.293 0.635 20 0 BCADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC000662235567 412033624 /nfs/dbraw/zinc/03/36/24/412033624.db2.gz RHLDFCSXGYHMLL-MRVPVSSYSA-N 2 1 223.324 0.845 20 0 BCADMP Cc1nnc([C@H](C)[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC000662235572 412035858 /nfs/dbraw/zinc/03/58/58/412035858.db2.gz RHLDFCSXGYHMLL-QMMMGPOBSA-N 2 1 223.324 0.845 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662236130 412035994 /nfs/dbraw/zinc/03/59/94/412035994.db2.gz CTOBERMAZZOJAD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662236130 412035998 /nfs/dbraw/zinc/03/59/98/412035998.db2.gz CTOBERMAZZOJAD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662243737 412039333 /nfs/dbraw/zinc/03/93/33/412039333.db2.gz JULGXPPJJXFMPO-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662243737 412039337 /nfs/dbraw/zinc/03/93/37/412039337.db2.gz JULGXPPJJXFMPO-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662243739 412039705 /nfs/dbraw/zinc/03/97/05/412039705.db2.gz JULGXPPJJXFMPO-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662243739 412039707 /nfs/dbraw/zinc/03/97/07/412039707.db2.gz JULGXPPJJXFMPO-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CC[C@@H]1[NH3+] ZINC000662269802 412059606 /nfs/dbraw/zinc/05/96/06/412059606.db2.gz FRDNNVSTZYVLIB-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CC[C@@H]1[NH3+] ZINC000662269802 412059609 /nfs/dbraw/zinc/05/96/09/412059609.db2.gz FRDNNVSTZYVLIB-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@](C)(CN)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247873 412045241 /nfs/dbraw/zinc/04/52/41/412045241.db2.gz NNGIJSGLGCVFLL-RYUDHWBXSA-N 2 1 241.379 0.470 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248113 412047608 /nfs/dbraw/zinc/04/76/08/412047608.db2.gz UBMPHNYTDVGOHM-LLVKDONJSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255085 412048933 /nfs/dbraw/zinc/04/89/33/412048933.db2.gz OGBBCQBRIRIMII-GHMZBOCLSA-N 2 1 210.321 0.992 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255079 412049329 /nfs/dbraw/zinc/04/93/29/412049329.db2.gz OFXHTDIAXWOQQN-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254625 412049562 /nfs/dbraw/zinc/04/95/62/412049562.db2.gz QVVOCDWDHYXCID-MNOVXSKESA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255259 412051460 /nfs/dbraw/zinc/05/14/60/412051460.db2.gz BOCLAASHNSJMQA-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP CCC[N@@H+](C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662262969 412053313 /nfs/dbraw/zinc/05/33/13/412053313.db2.gz JHYBAJFGQQRVQS-CYBMUJFWSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265799 412058301 /nfs/dbraw/zinc/05/83/01/412058301.db2.gz ZLKVWCLVMPSHID-NSHDSACASA-N 2 1 236.319 0.363 20 0 BCADMP C[N@@H+](CCO[C@H]1CC1(F)F)C1CC([NH3+])C1 ZINC000662272024 412062357 /nfs/dbraw/zinc/06/23/57/412062357.db2.gz BMZQLKDHSCFNEV-HACHORDNSA-N 2 1 220.263 0.832 20 0 BCADMP COC[C@@H](C[N@H+](C)[C@@H](CN)C1CC1)OC ZINC000662272303 412062521 /nfs/dbraw/zinc/06/25/21/412062521.db2.gz DPCYJICPMMPUCN-MNOVXSKESA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@@H+](C)[C@@H](CN)C1CC1)OC ZINC000662272303 412062523 /nfs/dbraw/zinc/06/25/23/412062523.db2.gz DPCYJICPMMPUCN-MNOVXSKESA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)OC ZINC000662272303 412062526 /nfs/dbraw/zinc/06/25/26/412062526.db2.gz DPCYJICPMMPUCN-MNOVXSKESA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)OC ZINC000662272303 412062529 /nfs/dbraw/zinc/06/25/29/412062529.db2.gz DPCYJICPMMPUCN-MNOVXSKESA-N 2 1 216.325 0.317 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000370767544 171099100 /nfs/dbraw/zinc/09/91/00/171099100.db2.gz VBWBZBCTJAYUKF-QJPTWQEYSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000353473816 171149184 /nfs/dbraw/zinc/14/91/84/171149184.db2.gz VOXBXTADWROICB-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)OC ZINC000662278492 412070844 /nfs/dbraw/zinc/07/08/44/412070844.db2.gz YNSPEEGNOLJSJC-NXEZZACHSA-N 2 1 218.341 0.611 20 0 BCADMP CC[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000361091083 171221808 /nfs/dbraw/zinc/22/18/08/171221808.db2.gz IYNJUDDDWMRXBX-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000341826332 171223717 /nfs/dbraw/zinc/22/37/17/171223717.db2.gz RZSDEJLIWSQCGW-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC000341826332 171223720 /nfs/dbraw/zinc/22/37/20/171223720.db2.gz RZSDEJLIWSQCGW-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000341826329 171223874 /nfs/dbraw/zinc/22/38/74/171223874.db2.gz RZSDEJLIWSQCGW-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000341826329 171223877 /nfs/dbraw/zinc/22/38/77/171223877.db2.gz RZSDEJLIWSQCGW-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000356873021 171223960 /nfs/dbraw/zinc/22/39/60/171223960.db2.gz JZCGHJOQKREARC-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000356873021 171223961 /nfs/dbraw/zinc/22/39/61/171223961.db2.gz JZCGHJOQKREARC-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000356873015 171224489 /nfs/dbraw/zinc/22/44/89/171224489.db2.gz JZCGHJOQKREARC-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000356873015 171224490 /nfs/dbraw/zinc/22/44/90/171224490.db2.gz JZCGHJOQKREARC-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000358709971 171226463 /nfs/dbraw/zinc/22/64/63/171226463.db2.gz AZGHITOUICTBLW-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000358709971 171226464 /nfs/dbraw/zinc/22/64/64/171226464.db2.gz AZGHITOUICTBLW-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545225 171244322 /nfs/dbraw/zinc/24/43/22/171244322.db2.gz PIFDNISZUWOLLE-LNFKQOIKSA-N 2 1 225.336 0.310 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251249976 171245474 /nfs/dbraw/zinc/24/54/74/171245474.db2.gz VMHLYPMSNLJYHU-LPEHRKFASA-N 2 1 213.325 0.310 20 0 BCADMP CC[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037173269 171272923 /nfs/dbraw/zinc/27/29/23/171272923.db2.gz WIHWHIUXXVMMAL-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OC ZINC000662284201 412075587 /nfs/dbraw/zinc/07/55/87/412075587.db2.gz GATFSVOTRIGTND-AVGNSLFASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662300784 412085770 /nfs/dbraw/zinc/08/57/70/412085770.db2.gz JOGMMXWECHYYKH-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248969667 171305625 /nfs/dbraw/zinc/30/56/25/171305625.db2.gz DAWQYIOGZSYFEG-HBNTYKKESA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248969666 171306208 /nfs/dbraw/zinc/30/62/08/171306208.db2.gz DAWQYIOGZSYFEG-DCAQKATOSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246564656 171306628 /nfs/dbraw/zinc/30/66/28/171306628.db2.gz UOOUDDNTGMASSD-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C ZINC000226396682 171307057 /nfs/dbraw/zinc/30/70/57/171307057.db2.gz FBNZSNCVCFUJBT-VIFPVBQESA-N 2 1 201.314 0.052 20 0 BCADMP CC[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304754 171319788 /nfs/dbraw/zinc/31/97/88/171319788.db2.gz NJOQADPZXQXZSN-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)[C@H]1CC[NH3+] ZINC000662286624 412078469 /nfs/dbraw/zinc/07/84/69/412078469.db2.gz SMBWFADGKKPOLA-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286624 412078474 /nfs/dbraw/zinc/07/84/74/412078474.db2.gz SMBWFADGKKPOLA-AGIUHOORSA-N 2 1 241.379 0.424 20 0 BCADMP c1cn(C[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662294339 412081153 /nfs/dbraw/zinc/08/11/53/412081153.db2.gz ASADYMGSPUSFTL-STQMWFEESA-N 2 1 249.362 0.600 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399483 171371741 /nfs/dbraw/zinc/37/17/41/171371741.db2.gz PVXFZGHFFQRGIC-HOSYDEDBSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812620 171394757 /nfs/dbraw/zinc/39/47/57/171394757.db2.gz MIRHUBURNMQKPO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133403 171395157 /nfs/dbraw/zinc/39/51/57/171395157.db2.gz UONFLPAJNFMHRA-QWRGUYRKSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503492 171396830 /nfs/dbraw/zinc/39/68/30/171396830.db2.gz SRCSQMGRXBSMRJ-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000662388265 412140559 /nfs/dbraw/zinc/14/05/59/412140559.db2.gz OZZKXKNZHFMMEK-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000662306246 412091255 /nfs/dbraw/zinc/09/12/55/412091255.db2.gz PPVTUFQRXJGJPB-UNXYVOJBSA-N 3 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000662306246 412091259 /nfs/dbraw/zinc/09/12/59/412091259.db2.gz PPVTUFQRXJGJPB-UNXYVOJBSA-N 2 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000662306246 412091262 /nfs/dbraw/zinc/09/12/62/412091262.db2.gz PPVTUFQRXJGJPB-UNXYVOJBSA-N 2 1 209.337 0.409 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662311483 412091603 /nfs/dbraw/zinc/09/16/03/412091603.db2.gz SSNQIYHEVOJCFI-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC2CC1(C[NH3+])C2 ZINC000662306875 412092450 /nfs/dbraw/zinc/09/24/50/412092450.db2.gz URUXENWXWOKPMM-UHFFFAOYSA-N 2 1 234.347 0.776 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000662390116 412141598 /nfs/dbraw/zinc/14/15/98/412141598.db2.gz IBDKYBYFDNYUHY-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000662312160 412094065 /nfs/dbraw/zinc/09/40/65/412094065.db2.gz HCFPEPMUPSDUMJ-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP COCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316613 412099093 /nfs/dbraw/zinc/09/90/93/412099093.db2.gz KKRUYXBESMGSGY-LBPRGKRZSA-N 2 1 230.352 0.675 20 0 BCADMP COCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316613 412099097 /nfs/dbraw/zinc/09/90/97/412099097.db2.gz KKRUYXBESMGSGY-LBPRGKRZSA-N 2 1 230.352 0.675 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000662390112 412141911 /nfs/dbraw/zinc/14/19/11/412141911.db2.gz IBDKYBYFDNYUHY-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322945 412099953 /nfs/dbraw/zinc/09/99/53/412099953.db2.gz JWOJEBBNQJSAPO-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CC1(C)C ZINC000662330827 412104634 /nfs/dbraw/zinc/10/46/34/412104634.db2.gz ILUNCFJNHNAQRU-GFCCVEGCSA-N 2 1 225.380 0.870 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC1=CCSC1 ZINC000662326812 412104825 /nfs/dbraw/zinc/10/48/25/412104825.db2.gz CPPMHCUIXGELOI-UHFFFAOYSA-N 2 1 216.350 0.567 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662332458 412106377 /nfs/dbraw/zinc/10/63/77/412106377.db2.gz WDQNDNVLTIOYIX-CMPLNLGQSA-N 2 1 214.353 0.935 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000662447458 412177529 /nfs/dbraw/zinc/17/75/29/412177529.db2.gz WJOAYGAWVJYMAE-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450913 412180303 /nfs/dbraw/zinc/18/03/03/412180303.db2.gz FLZWTPUXXBEIAS-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662498168 412196488 /nfs/dbraw/zinc/19/64/88/412196488.db2.gz PBBITJRCSBZPCK-ZMLRMANQSA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000662513935 412201792 /nfs/dbraw/zinc/20/17/92/412201792.db2.gz HKGRBBWGYGIMEH-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662539668 412209152 /nfs/dbraw/zinc/20/91/52/412209152.db2.gz HBKWPWNDDNTXHU-UTLUCORTSA-N 2 1 225.336 0.336 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCCCn1cc[nH+]c1C ZINC000662394496 412145036 /nfs/dbraw/zinc/14/50/36/412145036.db2.gz YQBVWLWOXAGBNY-LLVKDONJSA-N 2 1 238.335 0.696 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000662401577 412148891 /nfs/dbraw/zinc/14/88/91/412148891.db2.gz WZQCIMNSCJMVLO-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@H+]1C ZINC000361980187 412159178 /nfs/dbraw/zinc/15/91/78/412159178.db2.gz HZBRUZUAGDHFTP-VXGBXAGGSA-N 2 1 249.362 0.961 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662650584 412257295 /nfs/dbraw/zinc/25/72/95/412257295.db2.gz BOHCFGKKIBXZRR-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704215 412276827 /nfs/dbraw/zinc/27/68/27/412276827.db2.gz WRMDXHLUVHFRIH-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662721474 412283437 /nfs/dbraw/zinc/28/34/37/412283437.db2.gz WXZXXCZDJLXEHV-UHFFFAOYSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH2+]C ZINC000237031891 171607169 /nfs/dbraw/zinc/60/71/69/171607169.db2.gz VJWBCGUERNZPQK-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP COC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277687 412221573 /nfs/dbraw/zinc/22/15/73/412221573.db2.gz IIQSEXMCKNPYAA-ZYXZCXLHSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H](C)O1 ZINC000665280066 412224789 /nfs/dbraw/zinc/22/47/89/412224789.db2.gz SDRBDRGUNSBZME-UREMCVEQSA-N 2 1 210.321 0.894 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H](C)O1 ZINC000665280065 412225081 /nfs/dbraw/zinc/22/50/81/412225081.db2.gz SDRBDRGUNSBZME-TZMBILIQSA-N 2 1 210.321 0.894 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000662585143 412231121 /nfs/dbraw/zinc/23/11/21/412231121.db2.gz IAHRSZHZCAMRHW-SECBINFHSA-N 2 1 222.292 0.368 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593622 412234226 /nfs/dbraw/zinc/23/42/26/412234226.db2.gz PQACUYZOGJMESC-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662609475 412239718 /nfs/dbraw/zinc/23/97/18/412239718.db2.gz ZQMRWJUCVDJAQI-UHFFFAOYSA-N 2 1 215.341 0.524 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000665296666 412242793 /nfs/dbraw/zinc/24/27/93/412242793.db2.gz WCJGXVKCNCGIJQ-DCAQKATOSA-N 2 1 211.353 0.809 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804642 412306172 /nfs/dbraw/zinc/30/61/72/412306172.db2.gz GEJVKOHQBGSQEI-QWRGUYRKSA-N 2 1 237.347 0.420 20 0 BCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840080 412318277 /nfs/dbraw/zinc/31/82/77/412318277.db2.gz XNKDHWHFMXNZTH-IJLUTSLNSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840083 412318793 /nfs/dbraw/zinc/31/87/93/412318793.db2.gz XNKDHWHFMXNZTH-UTUOFQBUSA-N 2 1 237.347 0.481 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914089 412343487 /nfs/dbraw/zinc/34/34/87/412343487.db2.gz WSKGXKWLRBOQEV-GMTAPVOTSA-N 2 1 225.336 0.324 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000662911471 412343734 /nfs/dbraw/zinc/34/37/34/412343734.db2.gz UEECCSUXHLTYNJ-KKOKHZNYSA-N 2 1 237.347 0.337 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000132904999 412351010 /nfs/dbraw/zinc/35/10/10/412351010.db2.gz QHKNBDVDOOMGAJ-QJPTWQEYSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000662966054 412358044 /nfs/dbraw/zinc/35/80/44/412358044.db2.gz OHXXCLDDAISLGQ-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000662965730 412358058 /nfs/dbraw/zinc/35/80/58/412358058.db2.gz MRJBZXPBZJYLLZ-VIFPVBQESA-N 2 1 201.314 0.052 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[N@H+]1C ZINC000132941120 412368069 /nfs/dbraw/zinc/36/80/69/412368069.db2.gz HTUDXGYCEJBVNO-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744641 412289754 /nfs/dbraw/zinc/28/97/54/412289754.db2.gz BFDJADRTJMQATN-GMTAPVOTSA-N 2 1 225.336 0.182 20 0 BCADMP C[NH2+]CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000420161679 412290292 /nfs/dbraw/zinc/29/02/92/412290292.db2.gz WQWCZEYEGUAMFI-UHFFFAOYSA-N 2 1 235.335 1.098 20 0 BCADMP CN(C)c1cc(NC(=O)CC2([NH3+])CC2)cc[nH+]1 ZINC000662750987 412291650 /nfs/dbraw/zinc/29/16/50/412291650.db2.gz QXLHVHSOXWMXJH-UHFFFAOYSA-N 2 1 234.303 0.968 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000663013107 412371246 /nfs/dbraw/zinc/37/12/46/412371246.db2.gz JHOOLNJQJMBYDS-FOGDFJRCSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CC[N@H+]1C ZINC000132971456 412378223 /nfs/dbraw/zinc/37/82/23/412378223.db2.gz HQYFURLOBGHIJY-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP Cn1ncc2c1CCC[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000663188750 412392236 /nfs/dbraw/zinc/39/22/36/412392236.db2.gz VNKIVXSCLHIMBW-GXTWGEPZSA-N 2 1 246.358 0.778 20 0 BCADMP Cn1ncc2c1CCC[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000663188750 412392237 /nfs/dbraw/zinc/39/22/37/412392237.db2.gz VNKIVXSCLHIMBW-GXTWGEPZSA-N 2 1 246.358 0.778 20 0 BCADMP NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663234443 412396487 /nfs/dbraw/zinc/39/64/87/412396487.db2.gz SJAPDZPZATXLKE-SNVBAGLBSA-N 2 1 210.325 0.591 20 0 BCADMP COc1c(N)[nH+]cnc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000663242393 412399567 /nfs/dbraw/zinc/39/95/67/412399567.db2.gz OKDMAKKQGSRTRH-RITPCOANSA-N 2 1 211.269 0.215 20 0 BCADMP CCn1nccc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000358154617 172271656 /nfs/dbraw/zinc/27/16/56/172271656.db2.gz DTGJUOOHTXQPHQ-GFCCVEGCSA-N 2 1 238.335 0.059 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CCC[N@@H+](C)CC1 ZINC000265627211 172398477 /nfs/dbraw/zinc/39/84/77/172398477.db2.gz LWNBGBBPJMYGRF-GQCTYLIASA-N 2 1 225.336 0.268 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000265599051 172399062 /nfs/dbraw/zinc/39/90/62/172399062.db2.gz BZISLKLBPTZCTI-ZWNMCFTASA-N 2 1 225.336 0.172 20 0 BCADMP CN(CC[NH2+]C(C)(C)C)CC[NH+]1CCOCC1 ZINC000053661237 172743628 /nfs/dbraw/zinc/74/36/28/172743628.db2.gz CKQAAKIKTCFPTH-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](CO)[C@H]2CCOC2)CC1 ZINC000341372996 172995712 /nfs/dbraw/zinc/99/57/12/172995712.db2.gz OVRTUVHQERINTA-NWDGAFQWSA-N 2 1 242.363 0.315 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000038060146 172995878 /nfs/dbraw/zinc/99/58/78/172995878.db2.gz SKOYIYIJBAWIIL-NSHDSACASA-N 2 1 214.309 0.086 20 0 BCADMP C[N@H+]1CCCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000020217858 173011760 /nfs/dbraw/zinc/01/17/60/173011760.db2.gz GBPONUSIWFWORS-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000020217846 173012091 /nfs/dbraw/zinc/01/20/91/173012091.db2.gz QTPYOFSGVOGFGN-CYBMUJFWSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000020217846 173012093 /nfs/dbraw/zinc/01/20/93/173012093.db2.gz QTPYOFSGVOGFGN-CYBMUJFWSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037479425 173012546 /nfs/dbraw/zinc/01/25/46/173012546.db2.gz NIWXBPFFXYSWIV-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042165847 173012605 /nfs/dbraw/zinc/01/26/05/173012605.db2.gz UBBQALBAKWMWJB-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000020246676 173013808 /nfs/dbraw/zinc/01/38/08/173013808.db2.gz XZAUPJHEAXQEKS-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000309459997 173023819 /nfs/dbraw/zinc/02/38/19/173023819.db2.gz NPWPZHLULAZALO-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000358700478 173026346 /nfs/dbraw/zinc/02/63/46/173026346.db2.gz XPNGYUABLWFWFH-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394276 173030832 /nfs/dbraw/zinc/03/08/32/173030832.db2.gz DUWILBOACWSFKA-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000224049418 173031425 /nfs/dbraw/zinc/03/14/25/173031425.db2.gz MFZWWGKTALPSFD-OLZOCXBDSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000224049418 173031427 /nfs/dbraw/zinc/03/14/27/173031427.db2.gz MFZWWGKTALPSFD-OLZOCXBDSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639455 173034103 /nfs/dbraw/zinc/03/41/03/173034103.db2.gz FGSVOIOORKWNDE-NEPJUHHUSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018900 173034284 /nfs/dbraw/zinc/03/42/84/173034284.db2.gz DQVCAQJQDKLCRB-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018900 173034287 /nfs/dbraw/zinc/03/42/87/173034287.db2.gz DQVCAQJQDKLCRB-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000044538747 173040634 /nfs/dbraw/zinc/04/06/34/173040634.db2.gz OGDTZUNTFXOYIE-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000044538747 173040638 /nfs/dbraw/zinc/04/06/38/173040638.db2.gz OGDTZUNTFXOYIE-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302228203 173041155 /nfs/dbraw/zinc/04/11/55/173041155.db2.gz QQKLXCOUKQZXKV-SNVBAGLBSA-N 2 1 248.330 0.934 20 0 BCADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302228203 173041158 /nfs/dbraw/zinc/04/11/58/173041158.db2.gz QQKLXCOUKQZXKV-SNVBAGLBSA-N 2 1 248.330 0.934 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937270 173052893 /nfs/dbraw/zinc/05/28/93/173052893.db2.gz LKXKQPDLCOLJFF-JTQLQIEISA-N 2 1 240.351 0.261 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394540 173053702 /nfs/dbraw/zinc/05/37/02/173053702.db2.gz XIFDBFJSWFKFHA-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224046013 173053760 /nfs/dbraw/zinc/05/37/60/173053760.db2.gz VXOXKBZQPKPTBB-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639460 173058539 /nfs/dbraw/zinc/05/85/39/173058539.db2.gz FGSVOIOORKWNDE-RYUDHWBXSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058915 /nfs/dbraw/zinc/05/89/15/173058915.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058917 /nfs/dbraw/zinc/05/89/17/173058917.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058918 /nfs/dbraw/zinc/05/89/18/173058918.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262372 173059683 /nfs/dbraw/zinc/05/96/83/173059683.db2.gz LGEQTKZOYYBGFR-WDEREUQCSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000037482635 173066910 /nfs/dbraw/zinc/06/69/10/173066910.db2.gz PFYJZQQIXFDYFG-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+](CCNC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000352744719 173068380 /nfs/dbraw/zinc/06/83/80/173068380.db2.gz QEFVSDXJPWWJHY-UHFFFAOYSA-N 2 1 240.351 0.038 20 0 BCADMP C[N@@H+](CCNC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000352744719 173068383 /nfs/dbraw/zinc/06/83/83/173068383.db2.gz QEFVSDXJPWWJHY-UHFFFAOYSA-N 2 1 240.351 0.038 20 0 BCADMP Cn1cccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309552668 173138691 /nfs/dbraw/zinc/13/86/91/173138691.db2.gz ISURRVAGHVWKHU-GFCCVEGCSA-N 2 1 223.320 0.181 20 0 BCADMP Cn1cccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309552668 173138692 /nfs/dbraw/zinc/13/86/92/173138692.db2.gz ISURRVAGHVWKHU-GFCCVEGCSA-N 2 1 223.320 0.181 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335642442 173138834 /nfs/dbraw/zinc/13/88/34/173138834.db2.gz FREOYVBCBKEBQX-DGCLKSJQSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335642442 173138837 /nfs/dbraw/zinc/13/88/37/173138837.db2.gz FREOYVBCBKEBQX-DGCLKSJQSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250608887 173145002 /nfs/dbraw/zinc/14/50/02/173145002.db2.gz MBBQDJNVFBUZSD-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134505133 173145267 /nfs/dbraw/zinc/14/52/67/173145267.db2.gz BCIHCFKUGXWGME-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037484950 173145542 /nfs/dbraw/zinc/14/55/42/173145542.db2.gz IXIYURBNIVTHQW-LLVKDONJSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@@H]21 ZINC000368609470 173152304 /nfs/dbraw/zinc/15/23/04/173152304.db2.gz YMXZYHZFCVVZSR-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccs2)C1 ZINC000308969324 173164772 /nfs/dbraw/zinc/16/47/72/173164772.db2.gz YCVJIVDSBHEQSA-NSHDSACASA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccs2)C1 ZINC000308969324 173164774 /nfs/dbraw/zinc/16/47/74/173164774.db2.gz YCVJIVDSBHEQSA-NSHDSACASA-N 2 1 226.345 0.904 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000336756420 173165246 /nfs/dbraw/zinc/16/52/46/173165246.db2.gz HANIANQPSFWIRM-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000336756420 173165248 /nfs/dbraw/zinc/16/52/48/173165248.db2.gz HANIANQPSFWIRM-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCOCC2)C1 ZINC000309465807 173165878 /nfs/dbraw/zinc/16/58/78/173165878.db2.gz PGBJLZIQNSGIPF-NEPJUHHUSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCOCC2)C1 ZINC000309465807 173165880 /nfs/dbraw/zinc/16/58/80/173165880.db2.gz PGBJLZIQNSGIPF-NEPJUHHUSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCO)C2)C1 ZINC000308988979 173166452 /nfs/dbraw/zinc/16/64/52/173166452.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCO)C2)C1 ZINC000308988979 173166455 /nfs/dbraw/zinc/16/64/55/173166455.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCO)C2)C1 ZINC000308988979 173166457 /nfs/dbraw/zinc/16/64/57/173166457.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000336714620 173194807 /nfs/dbraw/zinc/19/48/07/173194807.db2.gz PEMNCFUCSOABPD-IJLUTSLNSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597068 173197670 /nfs/dbraw/zinc/19/76/70/173197670.db2.gz KXQIJELNNDEKMN-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597068 173197672 /nfs/dbraw/zinc/19/76/72/173197672.db2.gz KXQIJELNNDEKMN-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597068 173197675 /nfs/dbraw/zinc/19/76/75/173197675.db2.gz KXQIJELNNDEKMN-RNJOBUHISA-N 2 1 224.348 0.783 20 0 BCADMP CNC(=O)[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000270873215 173293658 /nfs/dbraw/zinc/29/36/58/173293658.db2.gz MFQCZRRLCWFLFJ-JTQLQIEISA-N 2 1 238.335 0.505 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270873215 173293659 /nfs/dbraw/zinc/29/36/59/173293659.db2.gz MFQCZRRLCWFLFJ-JTQLQIEISA-N 2 1 238.335 0.505 20 0 BCADMP CNC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000341867804 173296863 /nfs/dbraw/zinc/29/68/63/173296863.db2.gz DUGSPBDKODVUDS-NSHDSACASA-N 2 1 238.335 0.552 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250378465 173297491 /nfs/dbraw/zinc/29/74/91/173297491.db2.gz LGGGKUOWSRGQOQ-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250378465 173297492 /nfs/dbraw/zinc/29/74/92/173297492.db2.gz LGGGKUOWSRGQOQ-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250378464 173306280 /nfs/dbraw/zinc/30/62/80/173306280.db2.gz LGGGKUOWSRGQOQ-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250378464 173306281 /nfs/dbraw/zinc/30/62/81/173306281.db2.gz LGGGKUOWSRGQOQ-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250386474 173307247 /nfs/dbraw/zinc/30/72/47/173307247.db2.gz NTYSISXMQXHZIY-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250386474 173307248 /nfs/dbraw/zinc/30/72/48/173307248.db2.gz NTYSISXMQXHZIY-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]C1CC[NH+](CCOCCOC)CC1 ZINC000044725548 173323150 /nfs/dbraw/zinc/32/31/50/173323150.db2.gz RKZPEYZEQUEGRD-UHFFFAOYSA-N 2 1 216.325 0.333 20 0 BCADMP C[NH2+]CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000237224187 173328656 /nfs/dbraw/zinc/32/86/56/173328656.db2.gz ITTYFNKFXQNPQI-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237221745 173329138 /nfs/dbraw/zinc/32/91/38/173329138.db2.gz HVWULPSBPKVGOL-TXEJJXNPSA-N 2 1 241.379 0.690 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018052 173331454 /nfs/dbraw/zinc/33/14/54/173331454.db2.gz VJSYQUHCYILAFU-CYBMUJFWSA-N 2 1 247.342 0.597 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000375911486 173339157 /nfs/dbraw/zinc/33/91/57/173339157.db2.gz GXDVNVORBMOYBC-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000375911564 173339591 /nfs/dbraw/zinc/33/95/91/173339591.db2.gz GXDVNVORBMOYBC-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000262484498 173342261 /nfs/dbraw/zinc/34/22/61/173342261.db2.gz ZZAZYZYIAOKKHQ-UHFFFAOYSA-N 2 1 222.292 0.696 20 0 BCADMP C[NH2+]CCCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000237114547 173343464 /nfs/dbraw/zinc/34/34/64/173343464.db2.gz JUOZUTDKRJLPMV-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649677 173344696 /nfs/dbraw/zinc/34/46/96/173344696.db2.gz DMMPZQFCGHTPAH-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000377126193 173347869 /nfs/dbraw/zinc/34/78/69/173347869.db2.gz JDARYMWKNDEDBH-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000237147544 173362465 /nfs/dbraw/zinc/36/24/65/173362465.db2.gz GMAORGXHHLVFIS-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000092137023 173362719 /nfs/dbraw/zinc/36/27/19/173362719.db2.gz SCNVJQKAEOTOIZ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399303 173362894 /nfs/dbraw/zinc/36/28/94/173362894.db2.gz OXJOGNMJFLIZEY-NXEZZACHSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000234403958 173370415 /nfs/dbraw/zinc/37/04/15/173370415.db2.gz BTGLCLMIZDFQNZ-VIFPVBQESA-N 2 1 222.279 0.809 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000234403958 173370416 /nfs/dbraw/zinc/37/04/16/173370416.db2.gz BTGLCLMIZDFQNZ-VIFPVBQESA-N 2 1 222.279 0.809 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000053031618 173371327 /nfs/dbraw/zinc/37/13/27/173371327.db2.gz BQWVGTLOWZYGQZ-NSHDSACASA-N 2 1 208.309 0.424 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000092137022 173373872 /nfs/dbraw/zinc/37/38/72/173373872.db2.gz SCNVJQKAEOTOIZ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000040601382 173378405 /nfs/dbraw/zinc/37/84/05/173378405.db2.gz JWROTNGSVGDZOI-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000040601382 173378406 /nfs/dbraw/zinc/37/84/06/173378406.db2.gz JWROTNGSVGDZOI-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000071146043 173381513 /nfs/dbraw/zinc/38/15/13/173381513.db2.gz CFCHIHOXWBEOGL-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000071146043 173381514 /nfs/dbraw/zinc/38/15/14/173381514.db2.gz CFCHIHOXWBEOGL-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP COCC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309451109 174083081 /nfs/dbraw/zinc/08/30/81/174083081.db2.gz PYSIFDWSNIRUAQ-LLVKDONJSA-N 2 1 230.352 0.456 20 0 BCADMP COCC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309451109 174083082 /nfs/dbraw/zinc/08/30/82/174083082.db2.gz PYSIFDWSNIRUAQ-LLVKDONJSA-N 2 1 230.352 0.456 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000339430635 174224783 /nfs/dbraw/zinc/22/47/83/174224783.db2.gz HNDPARFDKLYRFB-GFCCVEGCSA-N 2 1 230.352 0.317 20 0 BCADMP COCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115547356 174229220 /nfs/dbraw/zinc/22/92/20/174229220.db2.gz XEWDTPWIEVERSR-UHFFFAOYSA-N 2 1 244.379 0.802 20 0 BCADMP COCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115547356 174229223 /nfs/dbraw/zinc/22/92/23/174229223.db2.gz XEWDTPWIEVERSR-UHFFFAOYSA-N 2 1 244.379 0.802 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234649199 174278868 /nfs/dbraw/zinc/27/88/68/174278868.db2.gz NXNVPZMDUXONJN-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070026700 174354133 /nfs/dbraw/zinc/35/41/33/174354133.db2.gz VPBQYZYYLYLHDU-NEPJUHHUSA-N 2 1 230.352 0.709 20 0 BCADMP COCCOCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485010 174355589 /nfs/dbraw/zinc/35/55/89/174355589.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485010 174355591 /nfs/dbraw/zinc/35/55/91/174355591.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366485010 174355593 /nfs/dbraw/zinc/35/55/93/174355593.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485010 174355595 /nfs/dbraw/zinc/35/55/95/174355595.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000044725566 174355779 /nfs/dbraw/zinc/35/57/79/174355779.db2.gz AIJDHQCDPHCIMZ-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000044694155 174358261 /nfs/dbraw/zinc/35/82/61/174358261.db2.gz DPXLNJSONYAWPQ-JHJVBQTASA-N 2 1 244.379 0.968 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237677304 176070822 /nfs/dbraw/zinc/07/08/22/176070822.db2.gz UQVTYVMGWLAOJI-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CCC[NH3+])C1 ZINC000237400108 176097392 /nfs/dbraw/zinc/09/73/92/176097392.db2.gz NRTRYSGCMVDPFZ-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298709 176108799 /nfs/dbraw/zinc/10/87/99/176108799.db2.gz SMJINBQERKGVIA-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000332006910 176185100 /nfs/dbraw/zinc/18/51/00/176185100.db2.gz PFJDBXVATKZVEO-BDAKNGLRSA-N 2 1 221.295 0.558 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226402490 176266620 /nfs/dbraw/zinc/26/66/20/176266620.db2.gz DSOQFNRTYZOZSM-NXEZZACHSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226402490 176266622 /nfs/dbraw/zinc/26/66/22/176266622.db2.gz DSOQFNRTYZOZSM-NXEZZACHSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000235456030 176267099 /nfs/dbraw/zinc/26/70/99/176267099.db2.gz OQTAITCEPKNWGJ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000235456030 176267100 /nfs/dbraw/zinc/26/71/00/176267100.db2.gz OQTAITCEPKNWGJ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000346853839 176269102 /nfs/dbraw/zinc/26/91/02/176269102.db2.gz BECLACMLCCJGMF-NEPJUHHUSA-N 2 1 237.351 0.598 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000309119912 176269366 /nfs/dbraw/zinc/26/93/66/176269366.db2.gz NEAIWQNCEHJAIE-VGMNWLOBSA-N 2 1 222.279 0.542 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1ccnn1 ZINC000346853842 176270979 /nfs/dbraw/zinc/27/09/79/176270979.db2.gz BECLACMLCCJGMF-VXGBXAGGSA-N 2 1 237.351 0.598 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000358113496 176271593 /nfs/dbraw/zinc/27/15/93/176271593.db2.gz SSWBFNVSIVCQBE-GRYCIOLGSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000358113496 176271595 /nfs/dbraw/zinc/27/15/95/176271595.db2.gz SSWBFNVSIVCQBE-GRYCIOLGSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390421 176272886 /nfs/dbraw/zinc/27/28/86/176272886.db2.gz SMNAERXXTSQEFF-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000362740279 176275963 /nfs/dbraw/zinc/27/59/63/176275963.db2.gz HXWWWPLYMZSOIC-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000362765442 176276360 /nfs/dbraw/zinc/27/63/60/176276360.db2.gz KAFCQAQRXWUMTK-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000362765442 176276361 /nfs/dbraw/zinc/27/63/61/176276361.db2.gz KAFCQAQRXWUMTK-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000362765442 176276362 /nfs/dbraw/zinc/27/63/62/176276362.db2.gz KAFCQAQRXWUMTK-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000362765442 176276363 /nfs/dbraw/zinc/27/63/63/176276363.db2.gz KAFCQAQRXWUMTK-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605720 176277769 /nfs/dbraw/zinc/27/77/69/176277769.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 2 1 223.364 0.788 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000300357258 176278389 /nfs/dbraw/zinc/27/83/89/176278389.db2.gz WQWRWMRROWRHED-DOLQZWNJSA-N 2 1 236.306 0.931 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000310184918 176279168 /nfs/dbraw/zinc/27/91/68/176279168.db2.gz YFKZHERDDMVSAV-KKOKHZNYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000300357261 176279214 /nfs/dbraw/zinc/27/92/14/176279214.db2.gz WQWRWMRROWRHED-ZYUZMQFOSA-N 2 1 236.306 0.931 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCO ZINC000036908333 176279409 /nfs/dbraw/zinc/27/94/09/176279409.db2.gz VMAMVINEFZCCMW-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000300357260 176279962 /nfs/dbraw/zinc/27/99/62/176279962.db2.gz WQWRWMRROWRHED-KYXWUPHJSA-N 2 1 236.306 0.931 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747275 176282149 /nfs/dbraw/zinc/28/21/49/176282149.db2.gz DQQJYCPQHCJWNC-MWLCHTKSSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC[NH+](C)C ZINC000309102221 176282361 /nfs/dbraw/zinc/28/23/61/176282361.db2.gz GJEPOEXOGMFSGK-ZYHUDNBSSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH+](C)C ZINC000309102221 176282362 /nfs/dbraw/zinc/28/23/62/176282362.db2.gz GJEPOEXOGMFSGK-ZYHUDNBSSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000094341356 176302897 /nfs/dbraw/zinc/30/28/97/176302897.db2.gz YSZPSDPUPQQCQH-MFKMUULPSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000086884306 176310375 /nfs/dbraw/zinc/31/03/75/176310375.db2.gz LUFQCEQHBSMZDK-KOLCDFICSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000086884306 176310376 /nfs/dbraw/zinc/31/03/76/176310376.db2.gz LUFQCEQHBSMZDK-KOLCDFICSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546498 176322521 /nfs/dbraw/zinc/32/25/21/176322521.db2.gz QRVWWBVCEYQBPX-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000094446934 176322657 /nfs/dbraw/zinc/32/26/57/176322657.db2.gz BJBZIUQQOFKTFN-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000227433221 176330157 /nfs/dbraw/zinc/33/01/57/176330157.db2.gz QTPVTWDRJBJFMP-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000227433221 176330159 /nfs/dbraw/zinc/33/01/59/176330159.db2.gz QTPVTWDRJBJFMP-OUAUKWLOSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336780540 176339934 /nfs/dbraw/zinc/33/99/34/176339934.db2.gz RPJBMDRMNCFGBC-PWSUYJOCSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310176999 176341700 /nfs/dbraw/zinc/34/17/00/176341700.db2.gz VVHUUGRBLBTSPV-WXHSDQCUSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310176999 176341702 /nfs/dbraw/zinc/34/17/02/176341702.db2.gz VVHUUGRBLBTSPV-WXHSDQCUSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131745014 176367349 /nfs/dbraw/zinc/36/73/49/176367349.db2.gz YEHVNTFGBDBODS-PWSUYJOCSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000122294925 176367715 /nfs/dbraw/zinc/36/77/15/176367715.db2.gz ZFRNJLJPPWDPFY-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)CC[N@H+]1C ZINC000336724631 176375411 /nfs/dbraw/zinc/37/54/11/176375411.db2.gz USGLFFNXSZESFI-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC[N@H+]1C ZINC000126488615 176375658 /nfs/dbraw/zinc/37/56/58/176375658.db2.gz VUBMUPVRGAHKPN-NEPJUHHUSA-N 2 1 237.351 0.741 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC000309746372 176376702 /nfs/dbraw/zinc/37/67/02/176376702.db2.gz FRDLVZYGQVJFNL-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC000309746372 176376704 /nfs/dbraw/zinc/37/67/04/176376704.db2.gz FRDLVZYGQVJFNL-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259722 176376903 /nfs/dbraw/zinc/37/69/03/176376903.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259722 176376905 /nfs/dbraw/zinc/37/69/05/176376905.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259722 176376906 /nfs/dbraw/zinc/37/69/06/176376906.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)CC[N@@H+]1C ZINC000309314544 176378927 /nfs/dbraw/zinc/37/89/27/176378927.db2.gz FUDQSOGLAKAZGU-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)CC[N@H+]1C ZINC000309314544 176378928 /nfs/dbraw/zinc/37/89/28/176378928.db2.gz FUDQSOGLAKAZGU-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000062896514 176522439 /nfs/dbraw/zinc/52/24/39/176522439.db2.gz BOEVAAIKRRNEBM-CYBMUJFWSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H]1CC(=O)NCCN1CC[C@H]1CCC[N@H+]1C ZINC000371199028 177062731 /nfs/dbraw/zinc/06/27/31/177062731.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247190 177072187 /nfs/dbraw/zinc/07/21/87/177072187.db2.gz GKYCLXOOCJTTQD-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247190 177072188 /nfs/dbraw/zinc/07/21/88/177072188.db2.gz GKYCLXOOCJTTQD-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000237459951 177075256 /nfs/dbraw/zinc/07/52/56/177075256.db2.gz GKTJZADZFFNCFZ-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCC[NH3+] ZINC000246225916 177099177 /nfs/dbraw/zinc/09/91/77/177099177.db2.gz HDYMTIVZIOGJAC-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226402496 177232302 /nfs/dbraw/zinc/23/23/02/177232302.db2.gz DSOQFNRTYZOZSM-VHSXEESVSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226402496 177232303 /nfs/dbraw/zinc/23/23/03/177232303.db2.gz DSOQFNRTYZOZSM-VHSXEESVSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)C1C[NH2+]C1 ZINC000235725424 177232601 /nfs/dbraw/zinc/23/26/01/177232601.db2.gz BYBNNXBHDUHYSS-VHSXEESVSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)C1C[NH2+]C1 ZINC000235725424 177232604 /nfs/dbraw/zinc/23/26/04/177232604.db2.gz BYBNNXBHDUHYSS-VHSXEESVSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375782 177233539 /nfs/dbraw/zinc/23/35/39/177233539.db2.gz MFKXOAYZFLRGRN-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211578 177237391 /nfs/dbraw/zinc/23/73/91/177237391.db2.gz OQRQOELTDFZCQL-CMPLNLGQSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747273 177241826 /nfs/dbraw/zinc/24/18/26/177241826.db2.gz DQQJYCPQHCJWNC-GXSJLCMTSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000037482541 177250650 /nfs/dbraw/zinc/25/06/50/177250650.db2.gz OFMRHJSDEBGZPX-TXEJJXNPSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000235598630 177253354 /nfs/dbraw/zinc/25/33/54/177253354.db2.gz DMFAPJDNPNZWDV-IUCAKERBSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000235598630 177253356 /nfs/dbraw/zinc/25/33/56/177253356.db2.gz DMFAPJDNPNZWDV-IUCAKERBSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410380 177279739 /nfs/dbraw/zinc/27/97/39/177279739.db2.gz NWPSSCNPVYZVNX-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251694022 177280055 /nfs/dbraw/zinc/28/00/55/177280055.db2.gz ILZJCSCUHIDZHP-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH3+] ZINC000246184695 177312667 /nfs/dbraw/zinc/31/26/67/177312667.db2.gz CMAYYLCLMHMSAT-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637795 177313337 /nfs/dbraw/zinc/31/33/37/177313337.db2.gz NQGWWFAHDKQRTL-WHOHXGKFSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC1CCCC1 ZINC000131794212 177323705 /nfs/dbraw/zinc/32/37/05/177323705.db2.gz NGXYDVJEWIKJFO-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC1CCCC1 ZINC000131794212 177323707 /nfs/dbraw/zinc/32/37/07/177323707.db2.gz NGXYDVJEWIKJFO-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncn1C ZINC000122328004 177324461 /nfs/dbraw/zinc/32/44/61/177324461.db2.gz AKQJKWNQLARQEY-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncn1C ZINC000122328004 177324462 /nfs/dbraw/zinc/32/44/62/177324462.db2.gz AKQJKWNQLARQEY-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000178831655 177328246 /nfs/dbraw/zinc/32/82/46/177328246.db2.gz QYWSQJFQXSKTNP-WCQYABFASA-N 2 1 247.342 0.724 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)CC[N@H+]1C ZINC000133414234 177330438 /nfs/dbraw/zinc/33/04/38/177330438.db2.gz IVGVVPQKVCXQFA-QWRGUYRKSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000178831640 177366904 /nfs/dbraw/zinc/36/69/04/177366904.db2.gz QYWSQJFQXSKTNP-AAEUAGOBSA-N 2 1 247.342 0.724 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1C ZINC000132954539 177368046 /nfs/dbraw/zinc/36/80/46/177368046.db2.gz NNQNOGPJOOQIFP-HBNTYKKESA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566490 487640185 /nfs/dbraw/zinc/64/01/85/487640185.db2.gz BFEGSOKYICAOMD-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566490 487640188 /nfs/dbraw/zinc/64/01/88/487640188.db2.gz BFEGSOKYICAOMD-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566490 487640193 /nfs/dbraw/zinc/64/01/93/487640193.db2.gz BFEGSOKYICAOMD-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000383566490 487640197 /nfs/dbraw/zinc/64/01/97/487640197.db2.gz BFEGSOKYICAOMD-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C\c1ccncc1 ZINC000487577117 225316255 /nfs/dbraw/zinc/31/62/55/225316255.db2.gz QUGZXZYTZDAPKD-ZRUQZJFASA-N 2 1 249.358 0.997 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493900432 226259031 /nfs/dbraw/zinc/25/90/31/226259031.db2.gz LYTXZHCGHVXMCU-WDCWCFNPSA-N 2 1 239.363 0.569 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400335043 226341001 /nfs/dbraw/zinc/34/10/01/226341001.db2.gz FTLYIYSGZJMVTM-RYUDHWBXSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400438625 226343745 /nfs/dbraw/zinc/34/37/45/226343745.db2.gz LVOABESDBLMUGI-NEPJUHHUSA-N 3 1 229.368 0.295 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400466964 226344376 /nfs/dbraw/zinc/34/43/76/226344376.db2.gz TXPYLUDXLFFLPZ-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000400508587 226345437 /nfs/dbraw/zinc/34/54/37/226345437.db2.gz IQAVECNZMLNOMG-BDAKNGLRSA-N 2 1 222.279 0.998 20 0 BCADMP Cc1[nH+]ccn1CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634271 226348038 /nfs/dbraw/zinc/34/80/38/226348038.db2.gz MHKXAYREPSGWMM-PWSUYJOCSA-N 2 1 222.336 0.922 20 0 BCADMP Cc1[nH+]ccn1CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400634264 226348075 /nfs/dbraw/zinc/34/80/75/226348075.db2.gz MHKXAYREPSGWMM-CMPLNLGQSA-N 2 1 222.336 0.922 20 0 BCADMP Cc1[nH+]ccn1CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400634272 226348205 /nfs/dbraw/zinc/34/82/05/226348205.db2.gz MHKXAYREPSGWMM-ZYHUDNBSSA-N 2 1 222.336 0.922 20 0 BCADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400735994 226350646 /nfs/dbraw/zinc/35/06/46/226350646.db2.gz RSALLRSFYKULGN-DMDPSCGWSA-N 2 1 223.364 0.953 20 0 BCADMP C[N@@H+](CCOCC1CC1)C[C@H]1CC[NH2+]C1 ZINC000087399727 487653163 /nfs/dbraw/zinc/65/31/63/487653163.db2.gz QJPIEVMTNBALRM-LBPRGKRZSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC/C=C/C[NH3+] ZINC000669588492 487656981 /nfs/dbraw/zinc/65/69/81/487656981.db2.gz NBWNQCMADNMVAP-QRGHLMKCSA-N 2 1 242.367 0.529 20 0 BCADMP O[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329313 487657757 /nfs/dbraw/zinc/65/77/57/487657757.db2.gz HAKBZMWXOBCITC-RVMXOQNASA-N 2 1 224.348 0.689 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669589259 487660437 /nfs/dbraw/zinc/66/04/37/487660437.db2.gz GITSAWXUUIPVNJ-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669589260 487660445 /nfs/dbraw/zinc/66/04/45/487660445.db2.gz GITSAWXUUIPVNJ-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@@H](C)COC)C[NH+](C)C ZINC000896880177 583845211 /nfs/dbraw/zinc/84/52/11/583845211.db2.gz PZRVBSCRRITYSB-NEPJUHHUSA-N 2 1 232.368 0.825 20 0 BCADMP C[C@H]1CN(CCCc2c[nH+]cn2C)CC[NH2+]1 ZINC000315075872 487670767 /nfs/dbraw/zinc/67/07/67/487670767.db2.gz MKELUCKZGWJKQN-NSHDSACASA-N 2 1 222.336 0.646 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cnn(C)c1 ZINC000227258065 487681221 /nfs/dbraw/zinc/68/12/21/487681221.db2.gz RCOGPLZKTGRXSY-CMPLNLGQSA-N 2 1 222.336 0.774 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073607 487682155 /nfs/dbraw/zinc/68/21/55/487682155.db2.gz VTGTYPJGAXWSJR-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP Cc1cncc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000228619413 487695132 /nfs/dbraw/zinc/69/51/32/487695132.db2.gz UZINJQRMIGCJRC-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000088051092 487696411 /nfs/dbraw/zinc/69/64/11/487696411.db2.gz KMYHOJWSXSZPMC-UHFFFAOYSA-N 2 1 211.309 0.078 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397480992 262926157 /nfs/dbraw/zinc/92/61/57/262926157.db2.gz NLNOEPKAXXFYJJ-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397480992 262926158 /nfs/dbraw/zinc/92/61/58/262926158.db2.gz NLNOEPKAXXFYJJ-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000088026343 487699688 /nfs/dbraw/zinc/69/96/88/487699688.db2.gz SZUIUDFKMBVJGQ-SNVBAGLBSA-N 2 1 231.315 0.133 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000082645532 487704739 /nfs/dbraw/zinc/70/47/39/487704739.db2.gz LZDDNILQISKDIQ-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP CCC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403289 487705810 /nfs/dbraw/zinc/70/58/10/487705810.db2.gz SAVZGSVERLYBBY-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403191 487706157 /nfs/dbraw/zinc/70/61/57/487706157.db2.gz OIVNJJXMLQYDDI-MNOVXSKESA-N 2 1 242.367 0.363 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707023 /nfs/dbraw/zinc/70/70/23/487707023.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707029 /nfs/dbraw/zinc/70/70/29/487707029.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707038 /nfs/dbraw/zinc/70/70/38/487707038.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707043 /nfs/dbraw/zinc/70/70/43/487707043.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 2 1 230.352 0.143 20 0 BCADMP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH3+] ZINC000088193938 487709362 /nfs/dbraw/zinc/70/93/62/487709362.db2.gz XQLSOWADFWNUNA-UHFFFAOYSA-N 2 1 235.331 0.236 20 0 BCADMP CCc1nc(NC[C@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC000394759094 487709935 /nfs/dbraw/zinc/70/99/35/487709935.db2.gz KSMBPPKHEVEKOE-LLVKDONJSA-N 2 1 249.362 0.663 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000082667296 487713444 /nfs/dbraw/zinc/71/34/44/487713444.db2.gz BWIDMVONSNJOJF-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336714126 487721196 /nfs/dbraw/zinc/72/11/96/487721196.db2.gz VVOQXJQEHMYUTL-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669406691 487726183 /nfs/dbraw/zinc/72/61/83/487726183.db2.gz UOIGGHORXWWJAX-MNOVXSKESA-N 2 1 242.367 0.365 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581044 487735889 /nfs/dbraw/zinc/73/58/89/487735889.db2.gz FZSMXPNFUIHNHQ-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC(C)(C)[NH3+] ZINC000226407170 487736892 /nfs/dbraw/zinc/73/68/92/487736892.db2.gz CRFCAHMMLAEWRM-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662851703 487737267 /nfs/dbraw/zinc/73/72/67/487737267.db2.gz CDMJARQJMIABCZ-JTQLQIEISA-N 2 1 239.363 0.857 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000675499166 487742699 /nfs/dbraw/zinc/74/26/99/487742699.db2.gz OELLZQIZOWJLEQ-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000675499166 487742701 /nfs/dbraw/zinc/74/27/01/487742701.db2.gz OELLZQIZOWJLEQ-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675499166 487742703 /nfs/dbraw/zinc/74/27/03/487742703.db2.gz OELLZQIZOWJLEQ-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000675499166 487742704 /nfs/dbraw/zinc/74/27/04/487742704.db2.gz OELLZQIZOWJLEQ-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651451584 487744586 /nfs/dbraw/zinc/74/45/86/487744586.db2.gz PZJKXMURGVIAKH-CYBMUJFWSA-N 2 1 233.315 0.645 20 0 BCADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226438352 487747110 /nfs/dbraw/zinc/74/71/10/487747110.db2.gz VMPRFNNERROOSI-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438299 487747201 /nfs/dbraw/zinc/74/72/01/487747201.db2.gz VJDFQPGMRPFVAZ-MNOVXSKESA-N 2 1 225.336 0.054 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000384894029 487754283 /nfs/dbraw/zinc/75/42/83/487754283.db2.gz LQDKPSIXIBWUHG-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000384894029 487754288 /nfs/dbraw/zinc/75/42/88/487754288.db2.gz LQDKPSIXIBWUHG-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000384894029 487754295 /nfs/dbraw/zinc/75/42/95/487754295.db2.gz LQDKPSIXIBWUHG-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000384894029 487754301 /nfs/dbraw/zinc/75/43/01/487754301.db2.gz LQDKPSIXIBWUHG-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000069634181 487757311 /nfs/dbraw/zinc/75/73/11/487757311.db2.gz LNMFBSZPCLLRMY-UHFFFAOYSA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000393850320 487776545 /nfs/dbraw/zinc/77/65/45/487776545.db2.gz QYCQDJVJRQWUFC-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000393850320 487776555 /nfs/dbraw/zinc/77/65/55/487776555.db2.gz QYCQDJVJRQWUFC-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000393850320 487776557 /nfs/dbraw/zinc/77/65/57/487776557.db2.gz QYCQDJVJRQWUFC-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@H+](CCCO)C[C@H](O)C[NH+](C)C(C)C ZINC000309231811 487800600 /nfs/dbraw/zinc/80/06/00/487800600.db2.gz IRFQCJRVZMPXNV-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC[N@@H+](CCCO)C[C@H](O)C[NH+](C)C(C)C ZINC000309231811 487800604 /nfs/dbraw/zinc/80/06/04/487800604.db2.gz IRFQCJRVZMPXNV-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000309231811 487800609 /nfs/dbraw/zinc/80/06/09/487800609.db2.gz IRFQCJRVZMPXNV-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309231811 487800613 /nfs/dbraw/zinc/80/06/13/487800613.db2.gz IRFQCJRVZMPXNV-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862866 487803662 /nfs/dbraw/zinc/80/36/62/487803662.db2.gz SYUOJAKGDKADJN-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862866 487803666 /nfs/dbraw/zinc/80/36/66/487803666.db2.gz SYUOJAKGDKADJN-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)CC[N@H+]1C ZINC000156095397 487813318 /nfs/dbraw/zinc/81/33/18/487813318.db2.gz PEAUOWBMRUJLTF-USWWRNFRSA-N 2 1 212.337 0.830 20 0 BCADMP [NH3+]CCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000414692630 487817835 /nfs/dbraw/zinc/81/78/35/487817835.db2.gz CXHSKYJFKFYVBP-CYBMUJFWSA-N 2 1 220.316 0.927 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000414737662 487820325 /nfs/dbraw/zinc/82/03/25/487820325.db2.gz HNYMAEFRDYWAIP-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000414737662 487820331 /nfs/dbraw/zinc/82/03/31/487820331.db2.gz HNYMAEFRDYWAIP-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@H]1C[NH2+]CCO1 ZINC000252581759 487827139 /nfs/dbraw/zinc/82/71/39/487827139.db2.gz UANDYZQIPHZHPZ-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000252599361 487827864 /nfs/dbraw/zinc/82/78/64/487827864.db2.gz KRZNIQOLKGCAMM-DCAQKATOSA-N 2 1 225.336 0.195 20 0 BCADMP CN(CC[S@](C)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827878464 587407268 /nfs/dbraw/zinc/40/72/68/587407268.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 1 232.393 0.639 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494699596 528500124 /nfs/dbraw/zinc/50/01/24/528500124.db2.gz QJVWSSFZILVPQR-ZMLRMANQSA-N 2 1 239.363 0.569 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000389891710 487844622 /nfs/dbraw/zinc/84/46/22/487844622.db2.gz OAPRNXBACKJOBY-IUCAKERBSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000062620416 487847094 /nfs/dbraw/zinc/84/70/94/487847094.db2.gz OKKINFVUDNEBPR-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CNCCO2)C[C@H](C)S1 ZINC000226682833 487857616 /nfs/dbraw/zinc/85/76/16/487857616.db2.gz GXPMSKBXEJMHPY-OUAUKWLOSA-N 2 1 230.377 0.801 20 0 BCADMP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H](C)S1 ZINC000226682833 487857621 /nfs/dbraw/zinc/85/76/21/487857621.db2.gz GXPMSKBXEJMHPY-OUAUKWLOSA-N 2 1 230.377 0.801 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)CC[NH3+] ZINC000652225336 487883541 /nfs/dbraw/zinc/88/35/41/487883541.db2.gz WMAHVFYAZSVVBE-UHFFFAOYSA-N 2 1 244.383 0.564 20 0 BCADMP CSC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923383178 644393277 /nfs/dbraw/zinc/39/32/77/644393277.db2.gz XUGJCHKSVJVKKT-SNVBAGLBSA-N 2 1 230.377 0.538 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669451458 487896359 /nfs/dbraw/zinc/89/63/59/487896359.db2.gz HAXUPNLVWOZWKM-UWVGGRQHSA-N 2 1 230.356 0.363 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000157211248 487907045 /nfs/dbraw/zinc/90/70/45/487907045.db2.gz SZHOSNJOPBWCLC-TUAOUCFPSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000669462778 487909502 /nfs/dbraw/zinc/90/95/02/487909502.db2.gz FQKHNRIEGSQXEY-BDAKNGLRSA-N 2 1 228.340 0.116 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000157726881 487918970 /nfs/dbraw/zinc/91/89/70/487918970.db2.gz IEVOZWRWVGXTGM-GHMZBOCLSA-N 2 1 237.347 0.611 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157800124 487921388 /nfs/dbraw/zinc/92/13/88/487921388.db2.gz RXSKOXKTZIQRGW-VXGBXAGGSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C)C1 ZINC000652335870 487924534 /nfs/dbraw/zinc/92/45/34/487924534.db2.gz MXKXLARGEDZUMG-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C)C1 ZINC000652335871 487924549 /nfs/dbraw/zinc/92/45/49/487924549.db2.gz MXKXLARGEDZUMG-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000679354762 487927235 /nfs/dbraw/zinc/92/72/35/487927235.db2.gz ZNHZVHLGTLQRJQ-SDDRHHMPSA-N 2 1 239.363 0.489 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(O)cc2)C1 ZINC000682407117 487950756 /nfs/dbraw/zinc/95/07/56/487950756.db2.gz XTKHSAVGJALDMO-ZDUSSCGKSA-N 2 1 236.315 0.548 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(O)cc2)C1 ZINC000682407117 487950764 /nfs/dbraw/zinc/95/07/64/487950764.db2.gz XTKHSAVGJALDMO-ZDUSSCGKSA-N 2 1 236.315 0.548 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000566620015 323007337 /nfs/dbraw/zinc/00/73/37/323007337.db2.gz XKVLFEWUKFWBIL-WHOHXGKFSA-N 2 1 237.347 0.195 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565225992 323034548 /nfs/dbraw/zinc/03/45/48/323034548.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 3 1 241.379 0.522 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000569817763 323041724 /nfs/dbraw/zinc/04/17/24/323041724.db2.gz YACXIUPNAGPLIC-WDEREUQCSA-N 2 1 230.377 0.802 20 0 BCADMP C[NH2+]CCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000569817763 323041725 /nfs/dbraw/zinc/04/17/25/323041725.db2.gz YACXIUPNAGPLIC-WDEREUQCSA-N 2 1 230.377 0.802 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000569938103 323044930 /nfs/dbraw/zinc/04/49/30/323044930.db2.gz SFWJSRACXGTVNB-NXEZZACHSA-N 2 1 214.309 0.751 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH2+]CC1 ZINC000569967003 323046007 /nfs/dbraw/zinc/04/60/07/323046007.db2.gz BGUZCDGRTMRHFM-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000570570892 323063609 /nfs/dbraw/zinc/06/36/09/323063609.db2.gz JNYBEPOHZVZATO-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)CC(F)(F)C[NH3+] ZINC000570734043 323069023 /nfs/dbraw/zinc/06/90/23/323069023.db2.gz QFMAICKPXAUDNR-SSDOTTSWSA-N 2 1 223.267 0.085 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])CC[N@H+]1C ZINC000157876509 323071040 /nfs/dbraw/zinc/07/10/40/323071040.db2.gz MLPBAVRJPGXXPH-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000570840801 323072349 /nfs/dbraw/zinc/07/23/49/323072349.db2.gz IQAKMCPLHGMOEH-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(F)C1 ZINC000572659707 323072697 /nfs/dbraw/zinc/07/26/97/323072697.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 1 218.316 0.733 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000516771539 323088744 /nfs/dbraw/zinc/08/87/44/323088744.db2.gz MUQZNXKLFKDTKT-LBPRGKRZSA-N 2 1 248.330 0.293 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105726 323092717 /nfs/dbraw/zinc/09/27/17/323092717.db2.gz RGZBEKFHMJJLFK-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109162 323093041 /nfs/dbraw/zinc/09/30/41/323093041.db2.gz ZMFXUZICBYECDK-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000563142865 323095195 /nfs/dbraw/zinc/09/51/95/323095195.db2.gz QHFJXXLKIIYDQK-AEJSXWLSSA-N 2 1 243.376 0.153 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000563209039 323101996 /nfs/dbraw/zinc/10/19/96/323101996.db2.gz LBOZZGDERLQWAJ-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000563209038 323102034 /nfs/dbraw/zinc/10/20/34/323102034.db2.gz LBOZZGDERLQWAJ-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563211233 323102042 /nfs/dbraw/zinc/10/20/42/323102042.db2.gz VGPMKMBQJILKRP-PHIMTYICSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nnc2n1CCC2 ZINC000563215667 323103003 /nfs/dbraw/zinc/10/30/03/323103003.db2.gz VDIWZSGCVBSUID-NSHDSACASA-N 2 1 249.362 0.656 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1nnc2n1CCC2 ZINC000563215667 323103004 /nfs/dbraw/zinc/10/30/04/323103004.db2.gz VDIWZSGCVBSUID-NSHDSACASA-N 2 1 249.362 0.656 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000571058033 323106186 /nfs/dbraw/zinc/10/61/86/323106186.db2.gz KPGKRGGBUKXLOR-AVGNSLFASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000563363516 323121028 /nfs/dbraw/zinc/12/10/28/323121028.db2.gz IYVPSJSYIGZNMP-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000563363516 323121029 /nfs/dbraw/zinc/12/10/29/323121029.db2.gz IYVPSJSYIGZNMP-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000563363516 323121030 /nfs/dbraw/zinc/12/10/30/323121030.db2.gz IYVPSJSYIGZNMP-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000563363516 323121031 /nfs/dbraw/zinc/12/10/31/323121031.db2.gz IYVPSJSYIGZNMP-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622004 323132042 /nfs/dbraw/zinc/13/20/42/323132042.db2.gz CBIPRZAJRSBBRG-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622004 323132043 /nfs/dbraw/zinc/13/20/43/323132043.db2.gz CBIPRZAJRSBBRG-XQQFMLRXSA-N 3 1 223.364 0.527 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132444 /nfs/dbraw/zinc/13/24/44/323132444.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)C2CC2)C1 ZINC000563629824 323132650 /nfs/dbraw/zinc/13/26/50/323132650.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000563629824 323132651 /nfs/dbraw/zinc/13/26/51/323132651.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000571521914 323146810 /nfs/dbraw/zinc/14/68/10/323146810.db2.gz BTAJPTVOGXAADG-STQMWFEESA-N 2 1 242.363 0.853 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000571573340 323148218 /nfs/dbraw/zinc/14/82/18/323148218.db2.gz ZDAIGEMWWAWZBW-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH+](C)C ZINC000571579715 323148348 /nfs/dbraw/zinc/14/83/48/323148348.db2.gz KJWJCBVAORVXAV-NWDGAFQWSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579717 323148464 /nfs/dbraw/zinc/14/84/64/323148464.db2.gz KJWJCBVAORVXAV-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP CCN(C)C(=O)CC[NH+]1CCC([NH2+]C)CC1 ZINC000563811888 323178688 /nfs/dbraw/zinc/17/86/88/323178688.db2.gz YTMXLMYYGWOEBK-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000563813224 323178816 /nfs/dbraw/zinc/17/88/16/323178816.db2.gz AGVRNAYILYPUCM-CHWSQXEVSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]1 ZINC000530219328 323217982 /nfs/dbraw/zinc/21/79/82/323217982.db2.gz JCFJSWMPXJWOJP-ZYGVAYEYSA-N 2 1 210.321 0.896 20 0 BCADMP [NH3+]Cc1nc(C(=O)NC[C@H]([NH3+])C2CC2)cs1 ZINC000572119036 323542426 /nfs/dbraw/zinc/54/24/26/323542426.db2.gz FZOLVACYLUPUGI-ZETCQYMHSA-N 2 1 240.332 0.069 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CC ZINC000130577624 325067731 /nfs/dbraw/zinc/06/77/31/325067731.db2.gz JEXPBPLRXJLOTC-SNVBAGLBSA-N 2 1 215.341 0.572 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130602011 325071899 /nfs/dbraw/zinc/07/18/99/325071899.db2.gz IAVMYAIXWWZNCE-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000545873148 325241145 /nfs/dbraw/zinc/24/11/45/325241145.db2.gz JYLHPJMCXONRNL-UWVGGRQHSA-N 2 1 248.330 0.497 20 0 BCADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1C ZINC000545873148 325241148 /nfs/dbraw/zinc/24/11/48/325241148.db2.gz JYLHPJMCXONRNL-UWVGGRQHSA-N 2 1 248.330 0.497 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132937372 325254655 /nfs/dbraw/zinc/25/46/55/325254655.db2.gz DIDCVDIMUICVEU-NEPJUHHUSA-N 2 1 241.379 0.973 20 0 BCADMP CN(CC[NH+](C)C)c1cc[nH+]cc1C(N)=O ZINC000546577568 325287962 /nfs/dbraw/zinc/28/79/62/325287962.db2.gz MAACQWIEWIBWED-UHFFFAOYSA-N 2 1 222.292 0.178 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134809096 325377677 /nfs/dbraw/zinc/37/76/77/325377677.db2.gz HXWDTMBLRKGART-RVMXOQNASA-N 2 1 224.348 0.853 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134809096 325377679 /nfs/dbraw/zinc/37/76/79/325377679.db2.gz HXWDTMBLRKGART-RVMXOQNASA-N 2 1 224.348 0.853 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000135018676 325388690 /nfs/dbraw/zinc/38/86/90/325388690.db2.gz YHSJCFOFOYUOGZ-UHFFFAOYSA-N 2 1 213.325 0.099 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566290049 326029796 /nfs/dbraw/zinc/02/97/96/326029796.db2.gz ZSGJGTVWMGBOAA-AOOOYVTPSA-N 2 1 213.325 0.180 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC1(C[NH3+])CCCC1 ZINC000566402538 326039111 /nfs/dbraw/zinc/03/91/11/326039111.db2.gz BIRRXWGJLLXHJP-UHFFFAOYSA-N 2 1 235.278 0.358 20 0 BCADMP C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@@H]1[NH3+] ZINC000566404936 326040258 /nfs/dbraw/zinc/04/02/58/326040258.db2.gz RVRBIYYADUXTOH-YUMQZZPRSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412294 326041150 /nfs/dbraw/zinc/04/11/50/326041150.db2.gz DWSPMIBWYDANHM-XQQFMLRXSA-N 2 1 241.379 0.519 20 0 BCADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000566614111 326068011 /nfs/dbraw/zinc/06/80/11/326068011.db2.gz LGFHTRQDOOIWCB-IJLUTSLNSA-N 3 1 211.353 0.846 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1([NH3+])CC1 ZINC000566797420 326083945 /nfs/dbraw/zinc/08/39/45/326083945.db2.gz HLTRGXONRUTLDL-UHFFFAOYSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC(F)(F)C[NH3+] ZINC000567057620 326108116 /nfs/dbraw/zinc/10/81/16/326108116.db2.gz RTHFGQGOAFTJTE-JGVFFNPUSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000567275528 326154750 /nfs/dbraw/zinc/15/47/50/326154750.db2.gz PCYMLEPBLIOMRM-MMWGEVLESA-N 2 1 237.347 0.465 20 0 BCADMP C[C@]1([NH3+])CCCC[C@H]1c1nc(C[NH3+])no1 ZINC000309755503 326163224 /nfs/dbraw/zinc/16/32/24/326163224.db2.gz HMHKOSFBDSIRRZ-XVKPBYJWSA-N 2 1 210.281 0.903 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310250751 326187835 /nfs/dbraw/zinc/18/78/35/326187835.db2.gz NZJXIZZAWVUTME-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000567652878 326239339 /nfs/dbraw/zinc/23/93/39/326239339.db2.gz FCBAWFDMPVDZNE-RYUDHWBXSA-N 2 1 237.351 0.788 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567914676 326282958 /nfs/dbraw/zinc/28/29/58/326282958.db2.gz DVDKLIIBKNDGLO-RKDXNWHRSA-N 2 1 247.289 0.194 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000157773698 326295502 /nfs/dbraw/zinc/29/55/02/326295502.db2.gz MQWAQSMXWVGPHU-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000568050837 326300744 /nfs/dbraw/zinc/30/07/44/326300744.db2.gz IMEDRCLAXRCHJN-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000568050837 326300747 /nfs/dbraw/zinc/30/07/47/326300747.db2.gz IMEDRCLAXRCHJN-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158656898 326335646 /nfs/dbraw/zinc/33/56/46/326335646.db2.gz AGQBJCSMCKNRAW-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158656898 326335647 /nfs/dbraw/zinc/33/56/47/326335647.db2.gz AGQBJCSMCKNRAW-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158656898 326335649 /nfs/dbraw/zinc/33/56/49/326335649.db2.gz AGQBJCSMCKNRAW-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@]1(C[NH3+])CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000568525519 326362895 /nfs/dbraw/zinc/36/28/95/326362895.db2.gz SPSPWSHYGVKBHX-VIFPVBQESA-N 2 1 235.278 0.168 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000568529098 326363744 /nfs/dbraw/zinc/36/37/44/326363744.db2.gz CCYXSIKFCYSACT-WOPDTQHZSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH2+]CCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000568745900 326374466 /nfs/dbraw/zinc/37/44/66/326374466.db2.gz FWZFZRKXBOUFIR-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1C[C@@H](c2nc(C[NH3+])no2)CC[N@@H+]1C ZINC000569102445 326390113 /nfs/dbraw/zinc/39/01/13/326390113.db2.gz POTPBNCXQVGTIU-YUMQZZPRSA-N 2 1 210.281 0.726 20 0 BCADMP C[C@H]1C[C@@H](c2nc(C[NH3+])no2)CC[N@H+]1C ZINC000569102445 326390114 /nfs/dbraw/zinc/39/01/14/326390114.db2.gz POTPBNCXQVGTIU-YUMQZZPRSA-N 2 1 210.281 0.726 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCCC[NH3+] ZINC000569248145 326397768 /nfs/dbraw/zinc/39/77/68/326397768.db2.gz HTTNYSAILYMVIN-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396554975 487972755 /nfs/dbraw/zinc/97/27/55/487972755.db2.gz GFDPPAONRXSFPA-VWYCJHECSA-N 2 1 200.326 0.999 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000677171056 487987882 /nfs/dbraw/zinc/98/78/82/487987882.db2.gz CBKXMXPHIZQKGW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000677171056 487987887 /nfs/dbraw/zinc/98/78/87/487987887.db2.gz CBKXMXPHIZQKGW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000677171056 487987889 /nfs/dbraw/zinc/98/78/89/487987889.db2.gz CBKXMXPHIZQKGW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000677171056 487987893 /nfs/dbraw/zinc/98/78/93/487987893.db2.gz CBKXMXPHIZQKGW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134537012 487988530 /nfs/dbraw/zinc/98/85/30/487988530.db2.gz GEOQCBJKXFMHQQ-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677184080 487993180 /nfs/dbraw/zinc/99/31/80/487993180.db2.gz JSYBXSVPSNJDCQ-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677184080 487993181 /nfs/dbraw/zinc/99/31/81/487993181.db2.gz JSYBXSVPSNJDCQ-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740790 488004273 /nfs/dbraw/zinc/00/42/73/488004273.db2.gz PSHGXIVELLKIKV-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000388072671 488020166 /nfs/dbraw/zinc/02/01/66/488020166.db2.gz QUZZDKQDCRKBRE-VXGBXAGGSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000388072671 488020172 /nfs/dbraw/zinc/02/01/72/488020172.db2.gz QUZZDKQDCRKBRE-VXGBXAGGSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388072671 488020176 /nfs/dbraw/zinc/02/01/76/488020176.db2.gz QUZZDKQDCRKBRE-VXGBXAGGSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388072671 488020181 /nfs/dbraw/zinc/02/01/81/488020181.db2.gz QUZZDKQDCRKBRE-VXGBXAGGSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000147487628 488029388 /nfs/dbraw/zinc/02/93/88/488029388.db2.gz KFUSVCMDECNJGF-NEPJUHHUSA-N 2 1 222.336 0.942 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147485914 488029465 /nfs/dbraw/zinc/02/94/65/488029465.db2.gz CXYSGKWJHJUDNK-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147485914 488029469 /nfs/dbraw/zinc/02/94/69/488029469.db2.gz CXYSGKWJHJUDNK-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000084166801 488031507 /nfs/dbraw/zinc/03/15/07/488031507.db2.gz IXIHMSBWESZINM-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034051 /nfs/dbraw/zinc/03/40/51/488034051.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034059 /nfs/dbraw/zinc/03/40/59/488034059.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034063 /nfs/dbraw/zinc/03/40/63/488034063.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034069 /nfs/dbraw/zinc/03/40/69/488034069.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 2 1 230.352 0.000 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000310503667 488035142 /nfs/dbraw/zinc/03/51/42/488035142.db2.gz IQBRBEWPRVRIQQ-CHWSQXEVSA-N 2 1 246.395 0.948 20 0 BCADMP Cc1ncc(C[N@H+]2CCC[C@H]2CO)n1C ZINC000667552867 488042650 /nfs/dbraw/zinc/04/26/50/488042650.db2.gz XEAMDHVXTOBDSD-JTQLQIEISA-N 2 1 209.293 0.685 20 0 BCADMP CN(C(=O)C1([NH+](C)C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000669178371 488043599 /nfs/dbraw/zinc/04/35/99/488043599.db2.gz XFABTGWEUFAMEE-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)C1([NH+](C)C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000669178371 488043602 /nfs/dbraw/zinc/04/36/02/488043602.db2.gz XFABTGWEUFAMEE-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000663494722 488044026 /nfs/dbraw/zinc/04/40/26/488044026.db2.gz QRSYPXKXBCUNTR-RVMXOQNASA-N 3 1 223.364 0.574 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669490897 488053045 /nfs/dbraw/zinc/05/30/45/488053045.db2.gz DJRGPWUVTNAXKJ-MWLCHTKSSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309217113 488060007 /nfs/dbraw/zinc/06/00/07/488060007.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309217113 488060012 /nfs/dbraw/zinc/06/00/12/488060012.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309217113 488060016 /nfs/dbraw/zinc/06/00/16/488060016.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309217113 488060020 /nfs/dbraw/zinc/06/00/20/488060020.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148929 488078533 /nfs/dbraw/zinc/07/85/33/488078533.db2.gz IXNFCBDTORKHLA-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138402 488078235 /nfs/dbraw/zinc/07/82/35/488078235.db2.gz GMDGKFLGXDIRHB-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000257698334 488082782 /nfs/dbraw/zinc/08/27/82/488082782.db2.gz NNJYCXGRGOTARH-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257725145 488084392 /nfs/dbraw/zinc/08/43/92/488084392.db2.gz UFRIXOUISSHKGJ-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000226378603 488084831 /nfs/dbraw/zinc/08/48/31/488084831.db2.gz JWLCDKKTDYOORW-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000257702547 488085418 /nfs/dbraw/zinc/08/54/18/488085418.db2.gz ONZMFAQDVNMUSH-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000257751325 488087360 /nfs/dbraw/zinc/08/73/60/488087360.db2.gz GPAHGNRGEGCNSD-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC(C)(C)[NH3+] ZINC000237079388 488100707 /nfs/dbraw/zinc/10/07/07/488100707.db2.gz NIDZXYRSIWLCLF-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)C1 ZINC000389568953 488102547 /nfs/dbraw/zinc/10/25/47/488102547.db2.gz AGSMDHWRIWUOCL-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634341 488103659 /nfs/dbraw/zinc/10/36/59/488103659.db2.gz IVSIBLWENSRBGX-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647345 488104683 /nfs/dbraw/zinc/10/46/83/488104683.db2.gz NAFPFLJLLPMJEW-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715618 488108647 /nfs/dbraw/zinc/10/86/47/488108647.db2.gz GKPHVWFXSWIWBY-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000397316370 488110712 /nfs/dbraw/zinc/11/07/12/488110712.db2.gz LGYPPPUGPURIIQ-QWHCGFSZSA-N 2 1 244.379 0.702 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000237189069 488113500 /nfs/dbraw/zinc/11/35/00/488113500.db2.gz QZGBXOWTVDIACE-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000160335937 488123263 /nfs/dbraw/zinc/12/32/63/488123263.db2.gz XXXZBBWWRRQJPX-IJLUTSLNSA-N 2 1 237.347 0.196 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882520 487541798 /nfs/dbraw/zinc/54/17/98/487541798.db2.gz XFFAZMUCYDEWBM-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CC[NH2+]C1 ZINC000382755723 487550418 /nfs/dbraw/zinc/55/04/18/487550418.db2.gz NFBRNKNJMGOHLK-GFCCVEGCSA-N 2 1 222.336 0.815 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000674289834 487551483 /nfs/dbraw/zinc/55/14/83/487551483.db2.gz XBENFMBNQYXGDJ-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)(C)[NH2+]CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405314945 487482160 /nfs/dbraw/zinc/48/21/60/487482160.db2.gz QUQHRZWXLXDTJK-NWDGAFQWSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484602 487486495 /nfs/dbraw/zinc/48/64/95/487486495.db2.gz DADCJTVNAQCXIC-ZJUUUORDSA-N 2 1 202.342 0.920 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000086188755 487489181 /nfs/dbraw/zinc/48/91/81/487489181.db2.gz WVWUAEAWLQNHQH-NEPJUHHUSA-N 2 1 211.353 0.622 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393963675 487493815 /nfs/dbraw/zinc/49/38/15/487493815.db2.gz JSZHLFOOGXZGRS-NWDGAFQWSA-N 2 1 246.395 0.684 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657973106 487496611 /nfs/dbraw/zinc/49/66/11/487496611.db2.gz BNVHLXJJEHUXAE-NWDGAFQWSA-N 2 1 240.347 0.354 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657973106 487496618 /nfs/dbraw/zinc/49/66/18/487496618.db2.gz BNVHLXJJEHUXAE-NWDGAFQWSA-N 2 1 240.347 0.354 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657973102 487497114 /nfs/dbraw/zinc/49/71/14/487497114.db2.gz BNVHLXJJEHUXAE-NEPJUHHUSA-N 2 1 240.347 0.354 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657973102 487497118 /nfs/dbraw/zinc/49/71/18/487497118.db2.gz BNVHLXJJEHUXAE-NEPJUHHUSA-N 2 1 240.347 0.354 20 0 BCADMP O[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000107153158 487507566 /nfs/dbraw/zinc/50/75/66/487507566.db2.gz XPVLHGJSWJJHRV-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808882 487508469 /nfs/dbraw/zinc/50/84/69/487508469.db2.gz QNXVJQNQPJJPIU-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP CN(C)C(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283327 488155714 /nfs/dbraw/zinc/15/57/14/488155714.db2.gz IMXIWCNFUSDXIC-PHIMTYICSA-N 2 1 225.336 0.006 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085365059 488163455 /nfs/dbraw/zinc/16/34/55/488163455.db2.gz NRNQIYXRAOIHOW-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420026 487575732 /nfs/dbraw/zinc/57/57/32/487575732.db2.gz VPJWXKPIRLZNCU-ZJUUUORDSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420026 487575733 /nfs/dbraw/zinc/57/57/33/487575733.db2.gz VPJWXKPIRLZNCU-ZJUUUORDSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000669520164 488136681 /nfs/dbraw/zinc/13/66/81/488136681.db2.gz RIHSPFUOTUDPFI-LLVKDONJSA-N 2 1 243.326 0.418 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259031274 488146736 /nfs/dbraw/zinc/14/67/36/488146736.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 2 1 225.380 0.870 20 0 BCADMP C[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745725 488150442 /nfs/dbraw/zinc/15/04/42/488150442.db2.gz SVZJUDGDKRFLAY-JQWIXIFHSA-N 2 1 222.336 0.632 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCc1cnn(C)c1 ZINC000230775396 488156916 /nfs/dbraw/zinc/15/69/16/488156916.db2.gz SJEMBBQZRVYWNZ-UHFFFAOYSA-N 2 1 210.325 0.504 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccnn1C ZINC000230775534 488157064 /nfs/dbraw/zinc/15/70/64/488157064.db2.gz BOXPYVJGXXTONR-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230774589 488157104 /nfs/dbraw/zinc/15/71/04/488157104.db2.gz QCXZVPMLORCSNJ-LLVKDONJSA-N 2 1 222.336 0.504 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000085369512 488164652 /nfs/dbraw/zinc/16/46/52/488164652.db2.gz AJLZXKLKNZHYJO-NWDGAFQWSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCCO ZINC000380077594 488171379 /nfs/dbraw/zinc/17/13/79/488171379.db2.gz DHPDKBZCQNSOSU-ZDUSSCGKSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCCCO ZINC000380077594 488171381 /nfs/dbraw/zinc/17/13/81/488171381.db2.gz DHPDKBZCQNSOSU-ZDUSSCGKSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCCO ZINC000380077594 488171382 /nfs/dbraw/zinc/17/13/82/488171382.db2.gz DHPDKBZCQNSOSU-ZDUSSCGKSA-N 2 1 246.395 0.782 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990308 488178329 /nfs/dbraw/zinc/17/83/29/488178329.db2.gz HCOOTCNJKGDFRC-YVECIDJPSA-N 2 1 224.348 0.831 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658053 488183538 /nfs/dbraw/zinc/18/35/38/488183538.db2.gz OEKLIGVBHPNHIR-NSHDSACASA-N 2 1 239.363 0.572 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322415696 488187143 /nfs/dbraw/zinc/18/71/43/488187143.db2.gz KDEVQZRPDIEGOL-OFLUOSHYSA-N 2 1 225.336 0.336 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000398051524 488197762 /nfs/dbraw/zinc/19/77/62/488197762.db2.gz DNTYCZABSOMGKO-WDEREUQCSA-N 2 1 237.347 0.611 20 0 BCADMP OC(CN1CC=CCC1)C[N@@H+]1CC=CCC1 ZINC000683668978 488206434 /nfs/dbraw/zinc/20/64/34/488206434.db2.gz HCCRVONPHOQVPP-UHFFFAOYSA-N 2 1 222.332 0.871 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063044 488206398 /nfs/dbraw/zinc/20/63/98/488206398.db2.gz CJYLTOLQWUMKBB-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]C1(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000398115800 488211271 /nfs/dbraw/zinc/21/12/71/488211271.db2.gz ZBTKAPBUVKGNGM-JTQLQIEISA-N 2 1 237.347 0.468 20 0 BCADMP Cn1cc(CCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000683790643 488223247 /nfs/dbraw/zinc/22/32/47/488223247.db2.gz OEKIODHZQRDTOZ-OKILXGFUSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cc(CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000683790643 488223249 /nfs/dbraw/zinc/22/32/49/488223249.db2.gz OEKIODHZQRDTOZ-OKILXGFUSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cc(CCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000683790643 488223253 /nfs/dbraw/zinc/22/32/53/488223253.db2.gz OEKIODHZQRDTOZ-OKILXGFUSA-N 2 1 248.374 0.846 20 0 BCADMP CCc1nc(NCC[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000336686169 490101541 /nfs/dbraw/zinc/10/15/41/490101541.db2.gz KWRCPDGSEFEIER-MRVPVSSYSA-N 2 1 208.309 1.497 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000054129009 490106787 /nfs/dbraw/zinc/10/67/87/490106787.db2.gz CGAGWLWDCSEKRE-VIFPVBQESA-N 2 1 201.314 0.038 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000054128945 490106690 /nfs/dbraw/zinc/10/66/90/490106690.db2.gz KPRUXQZETOWVGR-SNVBAGLBSA-N 2 1 215.341 0.285 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078698753 490219231 /nfs/dbraw/zinc/21/92/31/490219231.db2.gz MGNQAMUHMVOTNS-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000078747799 490225145 /nfs/dbraw/zinc/22/51/45/490225145.db2.gz VDBCWYAESJDGDW-RYUDHWBXSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000078747799 490225150 /nfs/dbraw/zinc/22/51/50/490225150.db2.gz VDBCWYAESJDGDW-RYUDHWBXSA-N 2 1 241.379 0.735 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080993516 490667849 /nfs/dbraw/zinc/66/78/49/490667849.db2.gz YVDANPJWJZASCM-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP Cc1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000086552455 491063127 /nfs/dbraw/zinc/06/31/27/491063127.db2.gz LNLYRLHINZHSGX-RYUDHWBXSA-N 2 1 220.320 0.380 20 0 BCADMP Cn1c[nH+]cc1CCCn1cc(CCC[NH3+])nn1 ZINC000314666874 491087218 /nfs/dbraw/zinc/08/72/18/491087218.db2.gz HZXXFVDKBZGKRS-UHFFFAOYSA-N 2 1 248.334 0.536 20 0 BCADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544540 491088945 /nfs/dbraw/zinc/08/89/45/491088945.db2.gz IZMCIKSAGALAGM-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000082254670 491107662 /nfs/dbraw/zinc/10/76/62/491107662.db2.gz ALOVEUXNTXLDGV-GFCCVEGCSA-N 2 1 247.342 0.678 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000082254670 491107663 /nfs/dbraw/zinc/10/76/63/491107663.db2.gz ALOVEUXNTXLDGV-GFCCVEGCSA-N 2 1 247.342 0.678 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000049559649 491128819 /nfs/dbraw/zinc/12/88/19/491128819.db2.gz IIUHVPMDWRTBKN-IUCAKERBSA-N 2 1 231.365 0.105 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000309069966 491143967 /nfs/dbraw/zinc/14/39/67/491143967.db2.gz BAGSUJQGXNYOIX-UHFFFAOYSA-N 2 1 206.293 0.761 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000335390538 535495433 /nfs/dbraw/zinc/49/54/33/535495433.db2.gz PMNYNSJBEIBSLH-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]1 ZINC000400356292 533840570 /nfs/dbraw/zinc/84/05/70/533840570.db2.gz APNKZGOWMWJQEZ-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000496898570 534084765 /nfs/dbraw/zinc/08/47/65/534084765.db2.gz AHKGPOWDXYEUSC-MNOVXSKESA-N 2 1 241.335 0.416 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173744861 535813755 /nfs/dbraw/zinc/81/37/55/535813755.db2.gz UDNHERKTVFTECZ-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695201 536344706 /nfs/dbraw/zinc/34/47/06/536344706.db2.gz BSOYQCOTAYUEIJ-JQWIXIFHSA-N 2 1 227.352 0.300 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000309066339 526330570 /nfs/dbraw/zinc/33/05/70/526330570.db2.gz ZPUVQDFRMDNZRS-VSQXVHSFSA-N 2 1 212.337 0.997 20 0 BCADMP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000258909156 535032035 /nfs/dbraw/zinc/03/20/35/535032035.db2.gz FRGQADNIMFZKRA-NSHDSACASA-N 2 1 214.353 0.935 20 0 BCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261923317 535072697 /nfs/dbraw/zinc/07/26/97/535072697.db2.gz BWGQOWNSNDRGCL-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261869162 535129072 /nfs/dbraw/zinc/12/90/72/535129072.db2.gz QIEXGJJUAGSVNN-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262254662 535194206 /nfs/dbraw/zinc/19/42/06/535194206.db2.gz QMFFUGHHVNTNSQ-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000261908128 535247338 /nfs/dbraw/zinc/24/73/38/535247338.db2.gz XMXHADZKHKFJOV-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596318 535363854 /nfs/dbraw/zinc/36/38/54/535363854.db2.gz SCBALBYPHXCTLF-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167326526 535485744 /nfs/dbraw/zinc/48/57/44/535485744.db2.gz BCJDSSFXBIFODY-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000335396950 535475739 /nfs/dbraw/zinc/47/57/39/535475739.db2.gz BPNDORWXPQBAGG-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929265 535504537 /nfs/dbraw/zinc/50/45/37/535504537.db2.gz YRZLHLMXRNVANT-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261535888 535650059 /nfs/dbraw/zinc/65/00/59/535650059.db2.gz POFBENCOGWPCPX-LLVKDONJSA-N 2 1 214.309 0.610 20 0 BCADMP CC[N@@H+](CCC(=O)OC)C[C@@]1(C)CC[NH2+]C1 ZINC000262009254 535711077 /nfs/dbraw/zinc/71/10/77/535711077.db2.gz MEDGXKKWZUNGLQ-LBPRGKRZSA-N 2 1 228.336 0.871 20 0 BCADMP CCC[C@H]1CN(CC[NH3+])CC[N@H+]1CCOC ZINC000261568721 535740110 /nfs/dbraw/zinc/74/01/10/535740110.db2.gz FUDDCQGKBDRDKZ-LBPRGKRZSA-N 2 1 229.368 0.378 20 0 BCADMP CC[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000086435417 535834454 /nfs/dbraw/zinc/83/44/54/535834454.db2.gz RBXKQNOXGNMOHW-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342655548 535836408 /nfs/dbraw/zinc/83/64/08/535836408.db2.gz QSZCUBOUCMPDCJ-VIFPVBQESA-N 2 1 249.305 0.299 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347783059 535945318 /nfs/dbraw/zinc/94/53/18/535945318.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 2 1 236.363 0.846 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251102222 535994835 /nfs/dbraw/zinc/99/48/35/535994835.db2.gz RNIOBQQSIHGYID-WOPDTQHZSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000086435399 536151542 /nfs/dbraw/zinc/15/15/42/536151542.db2.gz SHGMHZUQWOYZJZ-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000086435399 536151546 /nfs/dbraw/zinc/15/15/46/536151546.db2.gz SHGMHZUQWOYZJZ-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP CN1CCC2(CC[NH+](CC(C)(C)[NH3+])CC2)C1=O ZINC000261956383 536349457 /nfs/dbraw/zinc/34/94/57/536349457.db2.gz OTEIDZJPYJLQTL-UHFFFAOYSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354544 /nfs/dbraw/zinc/35/45/44/536354544.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354545 /nfs/dbraw/zinc/35/45/45/536354545.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354549 /nfs/dbraw/zinc/35/45/49/536354549.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCOCC1 ZINC000348068002 536370180 /nfs/dbraw/zinc/37/01/80/536370180.db2.gz FLXPNIAEKZZXST-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033513 536372733 /nfs/dbraw/zinc/37/27/33/536372733.db2.gz OHVKHFMMAPPJKV-STQMWFEESA-N 2 1 239.363 0.444 20 0 BCADMP C[N@@H+](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000261799550 536376333 /nfs/dbraw/zinc/37/63/33/536376333.db2.gz QUGQGMAGZUNXLX-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)[NH3+] ZINC000261531124 536448225 /nfs/dbraw/zinc/44/82/25/536448225.db2.gz FHBMDILLCFKVCD-ZJUUUORDSA-N 2 1 200.326 0.817 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893305631 583095643 /nfs/dbraw/zinc/09/56/43/583095643.db2.gz WMNXFCKGZJUZFK-SNVBAGLBSA-N 2 1 226.320 0.790 20 0 BCADMP [NH3+]CCc1ccc(CNC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853245700 588728461 /nfs/dbraw/zinc/72/84/61/588728461.db2.gz BRCJQAIVUWHSLB-GJZGRUSLSA-N 2 1 245.370 0.887 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853245247 588728588 /nfs/dbraw/zinc/72/85/88/588728588.db2.gz JAHOKGBBCAPDLJ-JWURUJNWSA-N 3 1 235.375 0.940 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853245247 588728589 /nfs/dbraw/zinc/72/85/89/588728589.db2.gz JAHOKGBBCAPDLJ-JWURUJNWSA-N 3 1 235.375 0.940 20 0 BCADMP C[N@@H+](C[C@]12C[C@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245761 588728632 /nfs/dbraw/zinc/72/86/32/588728632.db2.gz CJGIEMFRNGQSAA-YWPUVAFDSA-N 3 1 223.364 0.798 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000891489097 582692506 /nfs/dbraw/zinc/69/25/06/582692506.db2.gz DYYUXWONLLIWIY-GFCCVEGCSA-N 2 1 239.363 0.668 20 0 BCADMP OCc1c[nH+]ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891781231 582720626 /nfs/dbraw/zinc/72/06/26/582720626.db2.gz HGWZXMVGJGQOJU-LLVKDONJSA-N 2 1 247.342 0.892 20 0 BCADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000891992027 582755255 /nfs/dbraw/zinc/75/52/55/582755255.db2.gz AVGRZVQOQXUVKB-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP Cc1cc(N)nc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000892028091 582765272 /nfs/dbraw/zinc/76/52/72/582765272.db2.gz KQGLNKTVSNOKEL-QMMMGPOBSA-N 2 1 209.297 0.729 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892147831 582801314 /nfs/dbraw/zinc/80/13/14/582801314.db2.gz WZFXSJCQAAOHFF-NXEZZACHSA-N 2 1 242.367 0.458 20 0 BCADMP Cn1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C1CC1 ZINC000892253139 582813751 /nfs/dbraw/zinc/81/37/51/582813751.db2.gz WDDQRCZHZZUPIC-RYUDHWBXSA-N 2 1 246.358 0.949 20 0 BCADMP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987001 582817867 /nfs/dbraw/zinc/81/78/67/582817867.db2.gz DKZZIGSXPUYKTD-ZJUUUORDSA-N 2 1 212.341 0.993 20 0 BCADMP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848986999 582818247 /nfs/dbraw/zinc/81/82/47/582818247.db2.gz DKZZIGSXPUYKTD-VHSXEESVSA-N 2 1 212.341 0.993 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992427 582819856 /nfs/dbraw/zinc/81/98/56/582819856.db2.gz ABSXFJYCXQCVRV-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP CN(C(=[NH2+])NCC[N@H+](C)C1CC1)C1CC1 ZINC000848997465 582820902 /nfs/dbraw/zinc/82/09/02/582820902.db2.gz JULIZMNCQGQCIM-UHFFFAOYSA-N 2 1 210.325 0.699 20 0 BCADMP CN(C(=[NH2+])NCC[N@@H+](C)C1CC1)C1CC1 ZINC000848997465 582820904 /nfs/dbraw/zinc/82/09/04/582820904.db2.gz JULIZMNCQGQCIM-UHFFFAOYSA-N 2 1 210.325 0.699 20 0 BCADMP Cc1cc(N)nc(N2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000892288931 582828919 /nfs/dbraw/zinc/82/89/19/582828919.db2.gz YZFBVATVYJMXNI-SNVBAGLBSA-N 2 1 235.335 0.898 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612923 582929485 /nfs/dbraw/zinc/92/94/85/582929485.db2.gz GJWCHJKJCYGLPW-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH+]1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892859156 582999181 /nfs/dbraw/zinc/99/91/81/582999181.db2.gz AGMBUFIEWVKRQI-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893305630 583095723 /nfs/dbraw/zinc/09/57/23/583095723.db2.gz WMNXFCKGZJUZFK-JTQLQIEISA-N 2 1 226.320 0.790 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000893694482 583202475 /nfs/dbraw/zinc/20/24/75/583202475.db2.gz VSISALBFKZOPCZ-ZDUSSCGKSA-N 2 1 249.362 0.867 20 0 BCADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000894067362 583293547 /nfs/dbraw/zinc/29/35/47/583293547.db2.gz QQRQNFKCXFJQFC-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000894184732 583332659 /nfs/dbraw/zinc/33/26/59/583332659.db2.gz FGFMPUNUQXPBSP-CYBMUJFWSA-N 2 1 239.363 0.526 20 0 BCADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000726691165 583368858 /nfs/dbraw/zinc/36/88/58/583368858.db2.gz AOEYCYRHGUHESE-GFCCVEGCSA-N 2 1 240.347 0.966 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000894279464 583407393 /nfs/dbraw/zinc/40/73/93/583407393.db2.gz DOLDOXANAHVJSM-GFCCVEGCSA-N 2 1 230.327 0.735 20 0 BCADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c[nH]cn1 ZINC000894399003 583448742 /nfs/dbraw/zinc/44/87/42/583448742.db2.gz BWUVFENJTRGFTH-LBPRGKRZSA-N 2 1 240.351 0.856 20 0 BCADMP Cc1ccnc(N)c1C[N@H+](C)C[C@H](C)O ZINC000894450578 583463602 /nfs/dbraw/zinc/46/36/02/583463602.db2.gz LLDNGUBDHRSXKW-VIFPVBQESA-N 2 1 209.293 0.785 20 0 BCADMP Cc1ccnc(N)c1CN(C)C[C@H](C)O ZINC000894450578 583463605 /nfs/dbraw/zinc/46/36/05/583463605.db2.gz LLDNGUBDHRSXKW-VIFPVBQESA-N 2 1 209.293 0.785 20 0 BCADMP Cc1ccnc(N)c1C[N@H+](C)[C@@H](C)CO ZINC000894770415 583517160 /nfs/dbraw/zinc/51/71/60/583517160.db2.gz MNCPEPRNKNOTMM-VIFPVBQESA-N 2 1 209.293 0.785 20 0 BCADMP Cc1ccnc(N)c1CN(C)[C@@H](C)CO ZINC000894770415 583517161 /nfs/dbraw/zinc/51/71/61/583517161.db2.gz MNCPEPRNKNOTMM-VIFPVBQESA-N 2 1 209.293 0.785 20 0 BCADMP Cc1cc(N)nc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000895021695 583569220 /nfs/dbraw/zinc/56/92/20/583569220.db2.gz IMJGWKCJCCDHOU-MNOVXSKESA-N 2 1 247.346 0.898 20 0 BCADMP Cc1cc(N)nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000895021694 583569529 /nfs/dbraw/zinc/56/95/29/583569529.db2.gz IMJGWKCJCCDHOU-GHMZBOCLSA-N 2 1 247.346 0.898 20 0 BCADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000895162556 583610904 /nfs/dbraw/zinc/61/09/04/583610904.db2.gz WXLONYLTSIXOAO-NSHDSACASA-N 2 1 221.304 0.502 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895429521 583669035 /nfs/dbraw/zinc/66/90/35/583669035.db2.gz OYWDBSPUKIIFAD-UWVGGRQHSA-N 2 1 216.325 0.868 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000895669251 583706123 /nfs/dbraw/zinc/70/61/23/583706123.db2.gz XDWRJIBLEATLGM-VXGBXAGGSA-N 2 1 238.331 0.433 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCCC1 ZINC000895685128 583709511 /nfs/dbraw/zinc/70/95/11/583709511.db2.gz KDUVPXSWGBIIQB-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCO[C@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+](C)C ZINC000896879743 583844850 /nfs/dbraw/zinc/84/48/50/583844850.db2.gz HALXKHSPRCOLLE-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP CCO[C@H](C[NH2+]C1CC(OC)C1)C[NH+](C)C ZINC000896880501 583845571 /nfs/dbraw/zinc/84/55/71/583845571.db2.gz WVLOWDNNPWEFOF-HTAVTVPLSA-N 2 1 230.352 0.720 20 0 BCADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000897297549 583911290 /nfs/dbraw/zinc/91/12/90/583911290.db2.gz JAQPXBKHQBURAP-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000897297549 583911291 /nfs/dbraw/zinc/91/12/91/583911291.db2.gz JAQPXBKHQBURAP-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897297549 583911293 /nfs/dbraw/zinc/91/12/93/583911293.db2.gz JAQPXBKHQBURAP-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897297549 583911294 /nfs/dbraw/zinc/91/12/94/583911294.db2.gz JAQPXBKHQBURAP-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000864464848 584007842 /nfs/dbraw/zinc/00/78/42/584007842.db2.gz JGAAMBZEUNEUAR-QWRGUYRKSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000864464848 584007843 /nfs/dbraw/zinc/00/78/43/584007843.db2.gz JGAAMBZEUNEUAR-QWRGUYRKSA-N 2 1 222.336 0.771 20 0 BCADMP CC[N@@H+](CCNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000858385690 588950133 /nfs/dbraw/zinc/95/01/33/588950133.db2.gz YCSFXGIQANJEOI-UHFFFAOYSA-N 2 1 239.327 0.178 20 0 BCADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897845448 584054152 /nfs/dbraw/zinc/05/41/52/584054152.db2.gz QJQISWSHBAUOTO-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC000898183779 584093454 /nfs/dbraw/zinc/09/34/54/584093454.db2.gz NEARCJXDTIOYIC-NEPJUHHUSA-N 2 1 230.327 0.733 20 0 BCADMP Nc1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000873213351 584127261 /nfs/dbraw/zinc/12/72/61/584127261.db2.gz WFDAYWADWKESPM-DTWKUNHWSA-N 2 1 221.308 0.418 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898613299 584146142 /nfs/dbraw/zinc/14/61/42/584146142.db2.gz AQQFRKTZMWVHKV-UHFFFAOYSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H](NC(=[NH2+])NCC[N@H+](C)C1CC1)C1CC1 ZINC000899264727 584188882 /nfs/dbraw/zinc/18/88/82/584188882.db2.gz JZLYEKHIRVOCMI-SECBINFHSA-N 2 1 224.352 0.993 20 0 BCADMP C[C@@H](NC(=[NH2+])NCC[N@@H+](C)C1CC1)C1CC1 ZINC000899264727 584188885 /nfs/dbraw/zinc/18/88/85/584188885.db2.gz JZLYEKHIRVOCMI-SECBINFHSA-N 2 1 224.352 0.993 20 0 BCADMP C[C@H](NC(=[NH2+])NCC[NH+]1CCC1)C1CC1 ZINC000899271517 584191692 /nfs/dbraw/zinc/19/16/92/584191692.db2.gz YXICEFHFIUEGNW-VIFPVBQESA-N 2 1 210.325 0.605 20 0 BCADMP C[C@@H](NC(=[NH2+])NCC1([NH+](C)C)CC1)C1CC1 ZINC000899272851 584191913 /nfs/dbraw/zinc/19/19/13/584191913.db2.gz OWNVJHBENFPCLR-SECBINFHSA-N 2 1 224.352 0.993 20 0 BCADMP Cc1[nH+]c(N)ccc1-c1cnn(C)c1C[NH3+] ZINC000899323387 584196616 /nfs/dbraw/zinc/19/66/16/584196616.db2.gz NOEUYOBMWNZWLU-UHFFFAOYSA-N 2 1 217.276 0.831 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(C2([NH3+])CC2)no1 ZINC000900017738 584266549 /nfs/dbraw/zinc/26/65/49/584266549.db2.gz RWVFHHQEGPIKBK-HTQZYQBOSA-N 2 1 222.292 0.415 20 0 BCADMP C[C@]1(c2nc(C3([NH3+])CC3)no2)CCC[NH2+]1 ZINC000900017743 584266916 /nfs/dbraw/zinc/26/69/16/584266916.db2.gz SEHBJNYGSOQYBH-SECBINFHSA-N 2 1 208.265 0.616 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900590965 584329565 /nfs/dbraw/zinc/32/95/65/584329565.db2.gz RAQNQPUECVCYSQ-SECBINFHSA-N 2 1 222.292 0.163 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694845 584338860 /nfs/dbraw/zinc/33/88/60/584338860.db2.gz KUFJLGTUSKRGJF-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP CN(C(=O)Cc1cnc[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000900830209 584355222 /nfs/dbraw/zinc/35/52/22/584355222.db2.gz NYFSEYRICHYQHT-LLVKDONJSA-N 2 1 236.319 0.505 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000901284414 584421559 /nfs/dbraw/zinc/42/15/59/584421559.db2.gz CJIBLTLEKYNYSN-UTUOFQBUSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000901284414 584421561 /nfs/dbraw/zinc/42/15/61/584421561.db2.gz CJIBLTLEKYNYSN-UTUOFQBUSA-N 2 1 241.379 0.878 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000902325855 584560187 /nfs/dbraw/zinc/56/01/87/584560187.db2.gz AIBFYIXKOLMUQT-JTQLQIEISA-N 2 1 248.392 0.399 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393238 584584017 /nfs/dbraw/zinc/58/40/17/584584017.db2.gz NXECPNPGETYBMF-MNOVXSKESA-N 3 1 213.369 0.949 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000902397021 584585618 /nfs/dbraw/zinc/58/56/18/584585618.db2.gz LUVTUYHBMIRFBM-NEPJUHHUSA-N 2 1 241.379 0.343 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCON)[C@H]2CCC[C@@H]21 ZINC000902416639 584590628 /nfs/dbraw/zinc/59/06/28/584590628.db2.gz VHXOMWCDVUICFB-WOPDTQHZSA-N 2 1 227.352 0.729 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CC1 ZINC000902417995 584591346 /nfs/dbraw/zinc/59/13/46/584591346.db2.gz UFIFXLDWWALHRW-GXSJLCMTSA-N 2 1 209.337 0.550 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902417995 584591348 /nfs/dbraw/zinc/59/13/48/584591348.db2.gz UFIFXLDWWALHRW-GXSJLCMTSA-N 2 1 209.337 0.550 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1NC1CCC([NH3+])CC1 ZINC000902445232 584599080 /nfs/dbraw/zinc/59/90/80/584599080.db2.gz PIKNECUBWMUQTK-ILDUYXDCSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1C ZINC000902474254 584602062 /nfs/dbraw/zinc/60/20/62/584602062.db2.gz DHRBAWBGBKNTPX-NJMOYASZSA-N 2 1 223.364 0.952 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451320 584606528 /nfs/dbraw/zinc/60/65/28/584606528.db2.gz WKKZGSJDROUPKC-GMTAPVOTSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452122 584607127 /nfs/dbraw/zinc/60/71/27/584607127.db2.gz IVYWIOMIVUMCKG-YNRVRDPVSA-N 2 1 222.332 0.892 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454226 584608507 /nfs/dbraw/zinc/60/85/07/584608507.db2.gz RILZKIRONMTJJY-OWSRUXPGSA-N 2 1 222.332 0.892 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000902456257 584610302 /nfs/dbraw/zinc/61/03/02/584610302.db2.gz NXZGOYRNHWFAOV-MWLCHTKSSA-N 2 1 238.335 0.646 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000902486339 584625208 /nfs/dbraw/zinc/62/52/08/584625208.db2.gz FBHGAGSIFVHUSJ-IJLUTSLNSA-N 2 1 223.364 0.988 20 0 BCADMP N[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902487187 584626075 /nfs/dbraw/zinc/62/60/75/584626075.db2.gz JKOFUNPLSSFXBF-NAKRPEOUSA-N 2 1 209.337 0.583 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903058180 584722470 /nfs/dbraw/zinc/72/24/70/584722470.db2.gz HHYDXLGDOIRCIW-OLZOCXBDSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426438 584760934 /nfs/dbraw/zinc/76/09/34/584760934.db2.gz IVUGKEHPXJYDLW-WYUUTHIRSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426438 584760936 /nfs/dbraw/zinc/76/09/36/584760936.db2.gz IVUGKEHPXJYDLW-WYUUTHIRSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000903432845 584762262 /nfs/dbraw/zinc/76/22/62/584762262.db2.gz NJUBYBQWBFUSFY-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000903432845 584762263 /nfs/dbraw/zinc/76/22/63/584762263.db2.gz NJUBYBQWBFUSFY-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP COCCOC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439063 584762711 /nfs/dbraw/zinc/76/27/11/584762711.db2.gz CEQPDZNQFQTXQM-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439063 584762712 /nfs/dbraw/zinc/76/27/12/584762712.db2.gz CEQPDZNQFQTXQM-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COCCOC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439064 584762820 /nfs/dbraw/zinc/76/28/20/584762820.db2.gz CEQPDZNQFQTXQM-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439064 584762821 /nfs/dbraw/zinc/76/28/21/584762821.db2.gz CEQPDZNQFQTXQM-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903440391 584763097 /nfs/dbraw/zinc/76/30/97/584763097.db2.gz WKUYOSKTZUOKMY-GRYCIOLGSA-N 2 1 239.363 0.701 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCSC[C@H]2CCO)C1 ZINC000903441444 584763838 /nfs/dbraw/zinc/76/38/38/584763838.db2.gz SGEXRTNSCPFDMA-QJPTWQEYSA-N 2 1 244.404 0.914 20 0 BCADMP C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000903422439 584764184 /nfs/dbraw/zinc/76/41/84/584764184.db2.gz CUDKNFOYLSUPMS-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP CON1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903425057 584765552 /nfs/dbraw/zinc/76/55/52/584765552.db2.gz QDGFVMNJHSFUOK-MXWKQRLJSA-N 2 1 241.335 0.208 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000903425057 584765553 /nfs/dbraw/zinc/76/55/53/584765553.db2.gz QDGFVMNJHSFUOK-MXWKQRLJSA-N 2 1 241.335 0.208 20 0 BCADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOC1CC1)C2 ZINC000903464208 584767260 /nfs/dbraw/zinc/76/72/60/584767260.db2.gz DFGKYCSDNMUSIQ-ZYHUDNBSSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOC1CC1)C2 ZINC000903464208 584767261 /nfs/dbraw/zinc/76/72/61/584767261.db2.gz DFGKYCSDNMUSIQ-ZYHUDNBSSA-N 2 1 210.321 0.979 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455331 584774132 /nfs/dbraw/zinc/77/41/32/584774132.db2.gz UNPIDHGYNNUFFS-QJPTWQEYSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455332 584774197 /nfs/dbraw/zinc/77/41/97/584774197.db2.gz UNPIDHGYNNUFFS-SDDRHHMPSA-N 2 1 211.353 0.763 20 0 BCADMP [NH3+]CC(F)(F)CNC[C@H]([NH3+])CC(F)F ZINC000903918581 584822381 /nfs/dbraw/zinc/82/23/81/584822381.db2.gz BZKFNORPLFQRBK-RXMQYKEDSA-N 2 1 217.210 0.153 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000903474210 584776571 /nfs/dbraw/zinc/77/65/71/584776571.db2.gz IXHSEGTXOFWELI-WOPDTQHZSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000903475915 584776918 /nfs/dbraw/zinc/77/69/18/584776918.db2.gz HSOYLOYNGQCCNG-UMSGYPCISA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000903475915 584776919 /nfs/dbraw/zinc/77/69/19/584776919.db2.gz HSOYLOYNGQCCNG-UMSGYPCISA-N 3 1 223.364 0.940 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000903476464 584777121 /nfs/dbraw/zinc/77/71/21/584777121.db2.gz XREFVPAVLOKUOX-UPJWGTAASA-N 2 1 223.364 0.764 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000903499666 584780281 /nfs/dbraw/zinc/78/02/81/584780281.db2.gz XUHGLVHJMOJUCC-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491210 584781133 /nfs/dbraw/zinc/78/11/33/584781133.db2.gz ZIKHYRDNBAZQMC-NGZCFLSTSA-N 2 1 212.293 0.219 20 0 BCADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1N ZINC000903556987 584783098 /nfs/dbraw/zinc/78/30/98/584783098.db2.gz JBMZWQQVHAOTRK-WDEREUQCSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556987 584783099 /nfs/dbraw/zinc/78/30/99/584783099.db2.gz JBMZWQQVHAOTRK-WDEREUQCSA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556987 584783100 /nfs/dbraw/zinc/78/31/00/584783100.db2.gz JBMZWQQVHAOTRK-WDEREUQCSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556987 584783101 /nfs/dbraw/zinc/78/31/01/584783101.db2.gz JBMZWQQVHAOTRK-WDEREUQCSA-N 2 1 211.353 0.655 20 0 BCADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000903716986 584792262 /nfs/dbraw/zinc/79/22/62/584792262.db2.gz FVDUXXGWDIKAJM-GFCCVEGCSA-N 2 1 240.347 0.477 20 0 BCADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000903716988 584792498 /nfs/dbraw/zinc/79/24/98/584792498.db2.gz FVDUXXGWDIKAJM-LBPRGKRZSA-N 2 1 240.347 0.477 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732596 584792879 /nfs/dbraw/zinc/79/28/79/584792879.db2.gz GRQJPWQFXKPTSR-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903712556 584792990 /nfs/dbraw/zinc/79/29/90/584792990.db2.gz NTTVQAJOYAHCFY-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712933 584793765 /nfs/dbraw/zinc/79/37/65/584793765.db2.gz VPNAACSISLSICX-MNOVXSKESA-N 2 1 216.300 0.391 20 0 BCADMP COCC(COC)[NH2+]CC1([NH3+])CCC1 ZINC000903743001 584796813 /nfs/dbraw/zinc/79/68/13/584796813.db2.gz FPLKPSJZETXPIK-UHFFFAOYSA-N 2 1 202.298 0.119 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763003 584797227 /nfs/dbraw/zinc/79/72/27/584797227.db2.gz GORKFAZZJOEQJS-FRRDWIJNSA-N 2 1 240.347 0.212 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765453 584797372 /nfs/dbraw/zinc/79/73/72/584797372.db2.gz HKAFTLYXVMGMLX-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776552 584798955 /nfs/dbraw/zinc/79/89/55/584798955.db2.gz UNKDGOJKVULRKA-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776552 584798957 /nfs/dbraw/zinc/79/89/57/584798957.db2.gz UNKDGOJKVULRKA-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903823201 584804479 /nfs/dbraw/zinc/80/44/79/584804479.db2.gz DCHKWBZVSUIMOR-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903823201 584804480 /nfs/dbraw/zinc/80/44/80/584804480.db2.gz DCHKWBZVSUIMOR-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903826323 584804866 /nfs/dbraw/zinc/80/48/66/584804866.db2.gz IELMYXWXOBCUSM-MDZLAQPJSA-N 2 1 237.347 0.183 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CC[NH2+]C1 ZINC000903827426 584804944 /nfs/dbraw/zinc/80/49/44/584804944.db2.gz SHXBRCBDRGIWGB-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000903830162 584805763 /nfs/dbraw/zinc/80/57/63/584805763.db2.gz VIBHFQORZRJQLA-DCAQKATOSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833450 584805975 /nfs/dbraw/zinc/80/59/75/584805975.db2.gz WVOAHQBNXYJEFB-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@H]1CCOCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833808 584805983 /nfs/dbraw/zinc/80/59/83/584805983.db2.gz YEGFTCLQPRYJIA-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833804 584805986 /nfs/dbraw/zinc/80/59/86/584805986.db2.gz YEGFTCLQPRYJIA-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP COCC[C@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903838494 584806433 /nfs/dbraw/zinc/80/64/33/584806433.db2.gz YMCWGFJTGFVEBW-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000903838494 584806435 /nfs/dbraw/zinc/80/64/35/584806435.db2.gz YMCWGFJTGFVEBW-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000903837217 584806843 /nfs/dbraw/zinc/80/68/43/584806843.db2.gz FXYMLLIIVHCVBH-CYBMUJFWSA-N 2 1 243.395 0.816 20 0 BCADMP COCC[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000903837217 584806844 /nfs/dbraw/zinc/80/68/44/584806844.db2.gz FXYMLLIIVHCVBH-CYBMUJFWSA-N 2 1 243.395 0.816 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC[NH2+]C1CC1)C2 ZINC000903839023 584807361 /nfs/dbraw/zinc/80/73/61/584807361.db2.gz HHPQIVOVHGVPPP-GVXVVHGQSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000903839023 584807362 /nfs/dbraw/zinc/80/73/62/584807362.db2.gz HHPQIVOVHGVPPP-GVXVVHGQSA-N 3 1 223.364 0.940 20 0 BCADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850133 584808232 /nfs/dbraw/zinc/80/82/32/584808232.db2.gz KWAJNJBSVOBTFJ-OLZOCXBDSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850133 584808233 /nfs/dbraw/zinc/80/82/33/584808233.db2.gz KWAJNJBSVOBTFJ-OLZOCXBDSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850133 584808235 /nfs/dbraw/zinc/80/82/35/584808235.db2.gz KWAJNJBSVOBTFJ-OLZOCXBDSA-N 3 1 223.364 0.799 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000903856825 584809095 /nfs/dbraw/zinc/80/90/95/584809095.db2.gz BFVFENAMWDGYCU-DMDPSCGWSA-N 2 1 247.346 0.579 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCc2ncnn21 ZINC000903856825 584809096 /nfs/dbraw/zinc/80/90/96/584809096.db2.gz BFVFENAMWDGYCU-DMDPSCGWSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000903856825 584809097 /nfs/dbraw/zinc/80/90/97/584809097.db2.gz BFVFENAMWDGYCU-DMDPSCGWSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCc2ncnn21 ZINC000903856825 584809098 /nfs/dbraw/zinc/80/90/98/584809098.db2.gz BFVFENAMWDGYCU-DMDPSCGWSA-N 2 1 247.346 0.579 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])OC ZINC000903857357 584809844 /nfs/dbraw/zinc/80/98/44/584809844.db2.gz DJXPUDCDANMQCB-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])OC ZINC000903857357 584809845 /nfs/dbraw/zinc/80/98/45/584809845.db2.gz DJXPUDCDANMQCB-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCOC1CC1 ZINC000903857893 584809856 /nfs/dbraw/zinc/80/98/56/584809856.db2.gz GIODUTOWLNQIKP-PWSUYJOCSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCOC1CC1 ZINC000903857893 584809857 /nfs/dbraw/zinc/80/98/57/584809857.db2.gz GIODUTOWLNQIKP-PWSUYJOCSA-N 2 1 210.321 0.979 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858940 584810695 /nfs/dbraw/zinc/81/06/95/584810695.db2.gz KINLJNNOEFMUST-YPMHNXCESA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858940 584810696 /nfs/dbraw/zinc/81/06/96/584810696.db2.gz KINLJNNOEFMUST-YPMHNXCESA-N 2 1 234.347 0.776 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCc1cn[nH]c1 ZINC000903859368 584810751 /nfs/dbraw/zinc/81/07/51/584810751.db2.gz MVFUHHIJTURRJK-VXGBXAGGSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCc1cn[nH]c1 ZINC000903859368 584810752 /nfs/dbraw/zinc/81/07/52/584810752.db2.gz MVFUHHIJTURRJK-VXGBXAGGSA-N 2 1 220.320 0.765 20 0 BCADMP NC[C@@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861217 584811618 /nfs/dbraw/zinc/81/16/18/584811618.db2.gz WFONAOPRHVIMDU-NDBYEHHHSA-N 2 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861217 584811619 /nfs/dbraw/zinc/81/16/19/584811619.db2.gz WFONAOPRHVIMDU-NDBYEHHHSA-N 3 1 223.364 0.927 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861217 584811620 /nfs/dbraw/zinc/81/16/20/584811620.db2.gz WFONAOPRHVIMDU-NDBYEHHHSA-N 3 1 223.364 0.927 20 0 BCADMP C[C@@H]1CNCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874043 584816088 /nfs/dbraw/zinc/81/60/88/584816088.db2.gz RBHJUDDZONOGLY-ODWCKFRGSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874043 584816089 /nfs/dbraw/zinc/81/60/89/584816089.db2.gz RBHJUDDZONOGLY-ODWCKFRGSA-N 2 1 223.364 0.811 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903883469 584818418 /nfs/dbraw/zinc/81/84/18/584818418.db2.gz WTABLLIPTAUXFG-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903883469 584818419 /nfs/dbraw/zinc/81/84/19/584818419.db2.gz WTABLLIPTAUXFG-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+](CCC(=O)OC)C[C@H]([NH3+])CC(F)F ZINC000903885661 584818907 /nfs/dbraw/zinc/81/89/07/584818907.db2.gz ILTOUWOYTXIOGR-MRVPVSSYSA-N 2 1 238.278 0.854 20 0 BCADMP CC[N@@H+](CCC(=O)OC)C[C@H]([NH3+])CC(F)F ZINC000903885661 584818908 /nfs/dbraw/zinc/81/89/08/584818908.db2.gz ILTOUWOYTXIOGR-MRVPVSSYSA-N 2 1 238.278 0.854 20 0 BCADMP CC[N@H+](CCC(=O)OC)C[C@@H]([NH3+])CC(F)F ZINC000903885662 584818917 /nfs/dbraw/zinc/81/89/17/584818917.db2.gz ILTOUWOYTXIOGR-QMMMGPOBSA-N 2 1 238.278 0.854 20 0 BCADMP CC[N@@H+](CCC(=O)OC)C[C@@H]([NH3+])CC(F)F ZINC000903885662 584818918 /nfs/dbraw/zinc/81/89/18/584818918.db2.gz ILTOUWOYTXIOGR-QMMMGPOBSA-N 2 1 238.278 0.854 20 0 BCADMP C[C@H]1C[C@@H](O)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914774 584819157 /nfs/dbraw/zinc/81/91/57/584819157.db2.gz WDSBODRDOHHABI-OFIBSPLFSA-N 2 1 224.348 0.972 20 0 BCADMP CC(C)(CCO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903899179 584820434 /nfs/dbraw/zinc/82/04/34/584820434.db2.gz QIGGAYWDDILTGY-ZETCQYMHSA-N 2 1 210.268 0.720 20 0 BCADMP COCCC[N@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903915465 584820659 /nfs/dbraw/zinc/82/06/59/584820659.db2.gz ZCEYCSQGFHWYGS-VIFPVBQESA-N 2 1 240.294 0.300 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903915465 584820661 /nfs/dbraw/zinc/82/06/61/584820661.db2.gz ZCEYCSQGFHWYGS-VIFPVBQESA-N 2 1 240.294 0.300 20 0 BCADMP CC[N@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000903908749 584821934 /nfs/dbraw/zinc/82/19/34/584821934.db2.gz PCOMVSLSUIPZEZ-UHFFFAOYSA-N 2 1 247.342 0.640 20 0 BCADMP CC[N@@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000903908749 584821936 /nfs/dbraw/zinc/82/19/36/584821936.db2.gz PCOMVSLSUIPZEZ-UHFFFAOYSA-N 2 1 247.342 0.640 20 0 BCADMP C(N[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918567 584822575 /nfs/dbraw/zinc/82/25/75/584822575.db2.gz BULVFLRPDOKVCO-FGNRJIRKSA-N 2 1 209.337 0.469 20 0 BCADMP CC1(C[NH2+]C[C@@H](N)CC(F)F)CC[NH2+]CC1 ZINC000903920594 584822909 /nfs/dbraw/zinc/82/29/09/584822909.db2.gz WHPMNEXEFDTYHG-VIFPVBQESA-N 2 1 235.322 0.948 20 0 BCADMP CC[N@@H+](CCN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934431 584825644 /nfs/dbraw/zinc/82/56/44/584825644.db2.gz HDCQSSGTWXKYIA-YOGCLGLASA-N 2 1 211.353 0.798 20 0 BCADMP CCN(CC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934431 584825645 /nfs/dbraw/zinc/82/56/45/584825645.db2.gz HDCQSSGTWXKYIA-YOGCLGLASA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]CCC(C)(C)[NH3+] ZINC000903939668 584828837 /nfs/dbraw/zinc/82/88/37/584828837.db2.gz KWDXXOVLZZJOFS-SNVBAGLBSA-N 3 1 201.358 0.934 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903963865 584834112 /nfs/dbraw/zinc/83/41/12/584834112.db2.gz IANKLUDQANPRPV-YVECIDJPSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903964748 584834729 /nfs/dbraw/zinc/83/47/29/584834729.db2.gz POLDFPNEWQJIQX-NZEXEKPDSA-N 2 1 223.364 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903964750 584834748 /nfs/dbraw/zinc/83/47/48/584834748.db2.gz POLDFPNEWQJIQX-UJPOAAIJSA-N 2 1 223.364 0.572 20 0 BCADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964874 584834751 /nfs/dbraw/zinc/83/47/51/584834751.db2.gz SVGGVHVQZAWOEM-MNOVXSKESA-N 2 1 236.363 0.928 20 0 BCADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967995 584835120 /nfs/dbraw/zinc/83/51/20/584835120.db2.gz OKDGXFHZKCFFKI-VOAKCMCISA-N 3 1 225.380 0.962 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000903987576 584836149 /nfs/dbraw/zinc/83/61/49/584836149.db2.gz HHXUOYTWHFAGTG-NSHDSACASA-N 2 1 213.325 0.183 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299473 584860476 /nfs/dbraw/zinc/86/04/76/584860476.db2.gz FKPGNAUKMZZHKE-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299670 584860601 /nfs/dbraw/zinc/86/06/01/584860601.db2.gz LKDRJMCYYJFHKI-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299670 584860602 /nfs/dbraw/zinc/86/06/02/584860602.db2.gz LKDRJMCYYJFHKI-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299671 584860818 /nfs/dbraw/zinc/86/08/18/584860818.db2.gz LKDRJMCYYJFHKI-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299671 584860819 /nfs/dbraw/zinc/86/08/19/584860819.db2.gz LKDRJMCYYJFHKI-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904301144 584861543 /nfs/dbraw/zinc/86/15/43/584861543.db2.gz HQLNOXIYBMCYNA-KXNHARMFSA-N 3 1 209.337 0.550 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904301144 584861544 /nfs/dbraw/zinc/86/15/44/584861544.db2.gz HQLNOXIYBMCYNA-KXNHARMFSA-N 3 1 209.337 0.550 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302062 584862279 /nfs/dbraw/zinc/86/22/79/584862279.db2.gz UNQOULOQJNUJCH-WYUUTHIRSA-N 2 1 211.353 0.783 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308481 584862786 /nfs/dbraw/zinc/86/27/86/584862786.db2.gz QUXOYKYJZFHTCF-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904309285 584862908 /nfs/dbraw/zinc/86/29/08/584862908.db2.gz GNEZIPWLNYQCAB-BBBLOLIVSA-N 2 1 212.293 0.219 20 0 BCADMP CC[N@@H+](CCC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313708 584863720 /nfs/dbraw/zinc/86/37/20/584863720.db2.gz YERSFIUJMUDFDB-AOOOYVTPSA-N 2 1 214.309 0.609 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](CCO)C2)C1 ZINC000904318493 584864089 /nfs/dbraw/zinc/86/40/89/584864089.db2.gz QUDVOZWZRZMDFG-UTUOFQBUSA-N 2 1 212.337 0.818 20 0 BCADMP COC(=O)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904320533 584864232 /nfs/dbraw/zinc/86/42/32/584864232.db2.gz KHUXXCGOGKRKCZ-PHIMTYICSA-N 2 1 228.336 0.997 20 0 BCADMP CCS(=O)(=O)CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322453 584864627 /nfs/dbraw/zinc/86/46/27/584864627.db2.gz CFPQSYVMXZMGGW-AOOOYVTPSA-N 2 1 234.365 0.090 20 0 BCADMP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321661 584864862 /nfs/dbraw/zinc/86/48/62/584864862.db2.gz BBKZXQOFSJCEKH-DBIOUOCHSA-N 2 1 248.392 0.477 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325968 584865191 /nfs/dbraw/zinc/86/51/91/584865191.db2.gz AMFDDXOEBBQILB-BBBLOLIVSA-N 2 1 213.325 0.038 20 0 BCADMP CC[C@@H](CO)[NH+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324762 584865436 /nfs/dbraw/zinc/86/54/36/584865436.db2.gz KWUSQLRICJMNEM-XQQFMLRXSA-N 2 1 241.379 0.112 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325998 584865636 /nfs/dbraw/zinc/86/56/36/584865636.db2.gz BGEMYYJTUAAVQX-MXWKQRLJSA-N 2 1 225.336 0.311 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325969 584865676 /nfs/dbraw/zinc/86/56/76/584865676.db2.gz AMFDDXOEBBQILB-LPEHRKFASA-N 2 1 213.325 0.038 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329073 584865864 /nfs/dbraw/zinc/86/58/64/584865864.db2.gz VBORNSOZTMVKEW-PWSUYJOCSA-N 2 1 240.351 0.119 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329073 584865865 /nfs/dbraw/zinc/86/58/65/584865865.db2.gz VBORNSOZTMVKEW-PWSUYJOCSA-N 2 1 240.351 0.119 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000904328808 584866031 /nfs/dbraw/zinc/86/60/31/584866031.db2.gz SRJBVXHNPQCTRH-RWMBFGLXSA-N 2 1 249.362 0.727 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000904334389 584866346 /nfs/dbraw/zinc/86/63/46/584866346.db2.gz UTFSWKXPEIUKTK-XQQFMLRXSA-N 3 1 223.364 0.799 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000904333967 584866446 /nfs/dbraw/zinc/86/64/46/584866446.db2.gz HVVMPIBQRCTHTL-JTQLQIEISA-N 2 1 235.335 0.620 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000904334362 584866782 /nfs/dbraw/zinc/86/67/82/584866782.db2.gz UIOUMTMZJPNLLE-BKUVIOGVSA-N 2 1 209.337 0.550 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000904334362 584866783 /nfs/dbraw/zinc/86/67/83/584866783.db2.gz UIOUMTMZJPNLLE-BKUVIOGVSA-N 2 1 209.337 0.550 20 0 BCADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340574 584866834 /nfs/dbraw/zinc/86/68/34/584866834.db2.gz JOIHZNVOKYFBCT-GRYCIOLGSA-N 2 1 212.337 0.961 20 0 BCADMP CC(C)OC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904341552 584867211 /nfs/dbraw/zinc/86/72/11/584867211.db2.gz OYYSLRAVLQSDEU-XQQFMLRXSA-N 2 1 242.363 0.850 20 0 BCADMP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341186 584867366 /nfs/dbraw/zinc/86/73/66/584867366.db2.gz KBWSJOVQHUIDQM-TUAOUCFPSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904346817 584868117 /nfs/dbraw/zinc/86/81/17/584868117.db2.gz ZZPZQHWJMJFMRT-CYBMUJFWSA-N 2 1 244.379 0.707 20 0 BCADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC(O)C1 ZINC000904345803 584868229 /nfs/dbraw/zinc/86/82/29/584868229.db2.gz NLXHHSDUTNVWDB-HTAVTVPLSA-N 2 1 212.337 0.831 20 0 BCADMP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347949 584868396 /nfs/dbraw/zinc/86/83/96/584868396.db2.gz LBGOBSJRFYWESM-HGCLJGPKSA-N 2 1 237.347 0.310 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@](F)(CO)C2)C1 ZINC000904350392 584869065 /nfs/dbraw/zinc/86/90/65/584869065.db2.gz KIFIZQZKOMCTSB-KXUCPTDWSA-N 2 1 202.273 0.130 20 0 BCADMP NC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000904351340 584869440 /nfs/dbraw/zinc/86/94/40/584869440.db2.gz YBQFZOVBTDZJMT-CYBMUJFWSA-N 2 1 219.332 0.972 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000904351340 584869442 /nfs/dbraw/zinc/86/94/42/584869442.db2.gz YBQFZOVBTDZJMT-CYBMUJFWSA-N 3 1 219.332 0.972 20 0 BCADMP NC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000904351341 584869614 /nfs/dbraw/zinc/86/96/14/584869614.db2.gz YBQFZOVBTDZJMT-ZDUSSCGKSA-N 2 1 219.332 0.972 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000904351341 584869615 /nfs/dbraw/zinc/86/96/15/584869615.db2.gz YBQFZOVBTDZJMT-ZDUSSCGKSA-N 3 1 219.332 0.972 20 0 BCADMP Nc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)nn1 ZINC000904353245 584869980 /nfs/dbraw/zinc/86/99/80/584869980.db2.gz JTERCMLTJUUEGB-VIFPVBQESA-N 2 1 221.308 0.148 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354285 584870140 /nfs/dbraw/zinc/87/01/40/584870140.db2.gz DKXHFJOEMKNENF-ZJUUUORDSA-N 3 1 207.321 0.971 20 0 BCADMP C[C@]1(C[NH2+]Cc2ccc(N)nn2)CCC[NH2+]C1 ZINC000904354737 584870646 /nfs/dbraw/zinc/87/06/46/584870646.db2.gz DNSGTRCHOQJWPJ-LBPRGKRZSA-N 2 1 235.335 0.538 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904354822 584870836 /nfs/dbraw/zinc/87/08/36/584870836.db2.gz HDSLJBBJIPTOCX-AGIUHOORSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@@H](O)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368589 584872695 /nfs/dbraw/zinc/87/26/95/584872695.db2.gz LRSVQTZYQMNVRL-LPWJVIDDSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@@H](O)C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368589 584872696 /nfs/dbraw/zinc/87/26/96/584872696.db2.gz LRSVQTZYQMNVRL-LPWJVIDDSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368589 584872697 /nfs/dbraw/zinc/87/26/97/584872697.db2.gz LRSVQTZYQMNVRL-LPWJVIDDSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904371874 584873376 /nfs/dbraw/zinc/87/33/76/584873376.db2.gz VGLZQGDCXRFDRO-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904371874 584873377 /nfs/dbraw/zinc/87/33/77/584873377.db2.gz VGLZQGDCXRFDRO-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372744 584873781 /nfs/dbraw/zinc/87/37/81/584873781.db2.gz IDZQAZBULKWYLS-KKOKHZNYSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1csnn1 ZINC000904373116 584873929 /nfs/dbraw/zinc/87/39/29/584873929.db2.gz LDVUVFRDVLJLIO-KKMMWDRVSA-N 2 1 212.322 0.926 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000904388787 584874862 /nfs/dbraw/zinc/87/48/62/584874862.db2.gz BALJVDLUEYSHLS-DGCLKSJQSA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380132 584876597 /nfs/dbraw/zinc/87/65/97/584876597.db2.gz IQRQAANOVLTQTI-WISYIIOYSA-N 3 1 209.337 0.537 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380132 584876598 /nfs/dbraw/zinc/87/65/98/584876598.db2.gz IQRQAANOVLTQTI-WISYIIOYSA-N 2 1 209.337 0.537 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380132 584876599 /nfs/dbraw/zinc/87/65/99/584876599.db2.gz IQRQAANOVLTQTI-WISYIIOYSA-N 2 1 209.337 0.537 20 0 BCADMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383911 584877205 /nfs/dbraw/zinc/87/72/05/584877205.db2.gz CWWRSAVOJZCHDX-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383911 584877206 /nfs/dbraw/zinc/87/72/06/584877206.db2.gz CWWRSAVOJZCHDX-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP COC(=O)[C@@]1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904384272 584877260 /nfs/dbraw/zinc/87/72/60/584877260.db2.gz IOZLJDHBQDSTHN-KQXIARHKSA-N 2 1 240.347 0.855 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877399 /nfs/dbraw/zinc/87/73/99/584877399.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 2 1 223.364 0.750 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877401 /nfs/dbraw/zinc/87/74/01/584877401.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877403 /nfs/dbraw/zinc/87/74/03/584877403.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877404 /nfs/dbraw/zinc/87/74/04/584877404.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877406 /nfs/dbraw/zinc/87/74/06/584877406.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 3 1 223.364 0.750 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407600 584878857 /nfs/dbraw/zinc/87/88/57/584878857.db2.gz XITKNMYMCXFWBM-BDAKNGLRSA-N 3 1 221.295 0.640 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407600 584878858 /nfs/dbraw/zinc/87/88/58/584878858.db2.gz XITKNMYMCXFWBM-BDAKNGLRSA-N 3 1 221.295 0.640 20 0 BCADMP N[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407600 584878860 /nfs/dbraw/zinc/87/88/60/584878860.db2.gz XITKNMYMCXFWBM-BDAKNGLRSA-N 2 1 221.295 0.640 20 0 BCADMP N[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407600 584878862 /nfs/dbraw/zinc/87/88/62/584878862.db2.gz XITKNMYMCXFWBM-BDAKNGLRSA-N 2 1 221.295 0.640 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410584 584878919 /nfs/dbraw/zinc/87/89/19/584878919.db2.gz PAXIPLQQJDAOOW-MNOVXSKESA-N 3 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@H+](CC2(CN)CC2)CC[C@H]1C[NH3+] ZINC000904410584 584878921 /nfs/dbraw/zinc/87/89/21/584878921.db2.gz PAXIPLQQJDAOOW-MNOVXSKESA-N 2 1 211.353 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(CN)CC2)CC[C@H]1C[NH3+] ZINC000904410584 584878922 /nfs/dbraw/zinc/87/89/22/584878922.db2.gz PAXIPLQQJDAOOW-MNOVXSKESA-N 2 1 211.353 0.642 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409842 584879045 /nfs/dbraw/zinc/87/90/45/584879045.db2.gz JSIHHBJGDZLGKL-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410585 584879192 /nfs/dbraw/zinc/87/91/92/584879192.db2.gz PAXIPLQQJDAOOW-QWRGUYRKSA-N 3 1 211.353 0.642 20 0 BCADMP C[C@H]1C[N@H+](CC2(CN)CC2)CC[C@H]1C[NH3+] ZINC000904410585 584879193 /nfs/dbraw/zinc/87/91/93/584879193.db2.gz PAXIPLQQJDAOOW-QWRGUYRKSA-N 2 1 211.353 0.642 20 0 BCADMP C[C@H]1C[N@@H+](CC2(CN)CC2)CC[C@H]1C[NH3+] ZINC000904410585 584879195 /nfs/dbraw/zinc/87/91/95/584879195.db2.gz PAXIPLQQJDAOOW-QWRGUYRKSA-N 2 1 211.353 0.642 20 0 BCADMP Nc1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904407353 584879291 /nfs/dbraw/zinc/87/92/91/584879291.db2.gz UJGLELFAFPSEDU-VIFPVBQESA-N 2 1 221.308 0.230 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC000904411229 584879482 /nfs/dbraw/zinc/87/94/82/584879482.db2.gz KEHIRVHIURTROZ-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1C[NH3+] ZINC000904411715 584879884 /nfs/dbraw/zinc/87/98/84/584879884.db2.gz WVTPQNCETFJIEJ-XQHKEYJVSA-N 3 1 223.364 0.513 20 0 BCADMP C[C@@]1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420210 584882172 /nfs/dbraw/zinc/88/21/72/584882172.db2.gz GSRBURJZWXSSRT-BFHYXJOUSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420210 584882173 /nfs/dbraw/zinc/88/21/73/584882173.db2.gz GSRBURJZWXSSRT-BFHYXJOUSA-N 3 1 237.391 0.917 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421023 584882201 /nfs/dbraw/zinc/88/22/01/584882201.db2.gz LNMVICLXJSWYAP-CMPLNLGQSA-N 2 1 220.320 0.759 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421023 584882202 /nfs/dbraw/zinc/88/22/02/584882202.db2.gz LNMVICLXJSWYAP-CMPLNLGQSA-N 2 1 220.320 0.759 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876727531 584886863 /nfs/dbraw/zinc/88/68/63/584886863.db2.gz MVAYFELHHYVWDL-GMTAPVOTSA-N 2 1 239.363 0.428 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876727533 584886913 /nfs/dbraw/zinc/88/69/13/584886913.db2.gz MVAYFELHHYVWDL-OUAUKWLOSA-N 2 1 239.363 0.428 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000820756919 585014626 /nfs/dbraw/zinc/01/46/26/585014626.db2.gz VQQXYSNLLCYOCO-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000820756919 585014627 /nfs/dbraw/zinc/01/46/27/585014627.db2.gz VQQXYSNLLCYOCO-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749655 585106340 /nfs/dbraw/zinc/10/63/40/585106340.db2.gz JEHFCGMWYMUTII-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749654 585106396 /nfs/dbraw/zinc/10/63/96/585106396.db2.gz JEHFCGMWYMUTII-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP COCCOCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000750825796 585220361 /nfs/dbraw/zinc/22/03/61/585220361.db2.gz KWJOUHDCUMQBHQ-UHFFFAOYSA-N 2 1 244.379 0.923 20 0 BCADMP CN(C)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000760832568 585398291 /nfs/dbraw/zinc/39/82/91/585398291.db2.gz FBEKMNOQOKSNLS-UHFFFAOYSA-N 2 1 213.369 0.822 20 0 BCADMP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762652797 585434912 /nfs/dbraw/zinc/43/49/12/585434912.db2.gz ZFZURZAOYYVXKP-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762652797 585434913 /nfs/dbraw/zinc/43/49/13/585434913.db2.gz ZFZURZAOYYVXKP-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CCN(CC[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC000767364919 585517768 /nfs/dbraw/zinc/51/77/68/585517768.db2.gz XTSSFYMUIYBTOW-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000769933164 585566079 /nfs/dbraw/zinc/56/60/79/585566079.db2.gz FDAOHGMTDOCEMU-LLVKDONJSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(C=O)CC1)C1CC1 ZINC000774133329 585651348 /nfs/dbraw/zinc/65/13/48/585651348.db2.gz YSYFGLFLVZZXCP-ZDUSSCGKSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774169593 585652572 /nfs/dbraw/zinc/65/25/72/585652572.db2.gz SMXPBRASTZKIGL-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774169593 585652573 /nfs/dbraw/zinc/65/25/73/585652573.db2.gz SMXPBRASTZKIGL-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](CN1CCOCC1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000774736586 585664649 /nfs/dbraw/zinc/66/46/49/585664649.db2.gz FYHTZPUICUUYAF-QWHCGFSZSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@H](CN1CCOCC1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000774736586 585664650 /nfs/dbraw/zinc/66/46/50/585664650.db2.gz FYHTZPUICUUYAF-QWHCGFSZSA-N 2 1 241.379 0.343 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000777601252 585715999 /nfs/dbraw/zinc/71/59/99/585715999.db2.gz XTZQBPPSGHBVAO-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000777601252 585716000 /nfs/dbraw/zinc/71/60/00/585716000.db2.gz XTZQBPPSGHBVAO-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CC3OCCO3)CC[C@@H]21 ZINC000777601252 585716001 /nfs/dbraw/zinc/71/60/01/585716001.db2.gz XTZQBPPSGHBVAO-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3OCCO3)CC[C@@H]21 ZINC000777601252 585716002 /nfs/dbraw/zinc/71/60/02/585716002.db2.gz XTZQBPPSGHBVAO-RYUDHWBXSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000777601254 585716022 /nfs/dbraw/zinc/71/60/22/585716022.db2.gz XTZQBPPSGHBVAO-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000777601254 585716023 /nfs/dbraw/zinc/71/60/23/585716023.db2.gz XTZQBPPSGHBVAO-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3OCCO3)CC[C@H]21 ZINC000777601254 585716024 /nfs/dbraw/zinc/71/60/24/585716024.db2.gz XTZQBPPSGHBVAO-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3OCCO3)CC[C@H]21 ZINC000777601254 585716025 /nfs/dbraw/zinc/71/60/25/585716025.db2.gz XTZQBPPSGHBVAO-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000779341462 585751730 /nfs/dbraw/zinc/75/17/30/585751730.db2.gz HWUNDEWRINTJIE-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)[C@H]1[C@@H]2C[N@H+](CCn3ccnc3)C[C@@H]21 ZINC000794975549 586060254 /nfs/dbraw/zinc/06/02/54/586060254.db2.gz YYMBMGGAHZHIID-URLYPYJESA-N 2 1 235.287 0.234 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CCO)C1CC1)C1CC1 ZINC000809976796 586528252 /nfs/dbraw/zinc/52/82/52/586528252.db2.gz VUOOFVDOESHNOJ-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CCO)C1CC1)C1CC1 ZINC000809976796 586528253 /nfs/dbraw/zinc/52/82/53/586528253.db2.gz VUOOFVDOESHNOJ-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CCO)C1CC1)C1CC1 ZINC000809976794 586528288 /nfs/dbraw/zinc/52/82/88/586528288.db2.gz VUOOFVDOESHNOJ-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CCO)C1CC1)C1CC1 ZINC000809976794 586528289 /nfs/dbraw/zinc/52/82/89/586528289.db2.gz VUOOFVDOESHNOJ-CHWSQXEVSA-N 2 1 242.363 0.192 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)C1 ZINC000817890316 586831756 /nfs/dbraw/zinc/83/17/56/586831756.db2.gz RTRNBQWFCPFDKG-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C)C1 ZINC000817890316 586831757 /nfs/dbraw/zinc/83/17/57/586831757.db2.gz RTRNBQWFCPFDKG-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000817914335 586839859 /nfs/dbraw/zinc/83/98/59/586839859.db2.gz VHZMJPJHHPUHOQ-GRYCIOLGSA-N 2 1 211.353 0.940 20 0 BCADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000818973472 586919062 /nfs/dbraw/zinc/91/90/62/586919062.db2.gz XHALZFWLYZOOPI-GXFFZTMASA-N 2 1 224.348 0.831 20 0 BCADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000820258340 587038919 /nfs/dbraw/zinc/03/89/19/587038919.db2.gz KZYIGANYWSKLTL-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[NH+]1CCCC1 ZINC000823753467 587239900 /nfs/dbraw/zinc/23/99/00/587239900.db2.gz PEEOQKBYCYLKCB-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829475529 587499724 /nfs/dbraw/zinc/49/97/24/587499724.db2.gz YJBRODKMHYPJTH-GFCCVEGCSA-N 2 1 245.342 0.536 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970498 587639874 /nfs/dbraw/zinc/63/98/74/587639874.db2.gz HKTOYUYZSLSCDS-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000831971480 587640430 /nfs/dbraw/zinc/64/04/30/587640430.db2.gz YQOGUYCESHXULJ-SNVBAGLBSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970318 587640481 /nfs/dbraw/zinc/64/04/81/587640481.db2.gz CHQHUCVAGAHJDB-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000832452826 587660711 /nfs/dbraw/zinc/66/07/11/587660711.db2.gz XNVLGVZKCDKMPE-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC(=O)N(C)C[C@H]2C)CC[NH2+]1 ZINC000841020307 587935277 /nfs/dbraw/zinc/93/52/77/587935277.db2.gz WDZPAPZGWGMHDZ-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983082 587988067 /nfs/dbraw/zinc/98/80/67/587988067.db2.gz YVXCZLCFZFHUOT-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000842477844 588030145 /nfs/dbraw/zinc/03/01/45/588030145.db2.gz BTHCVHUVBJSOTF-ZDUSSCGKSA-N 3 1 243.395 0.945 20 0 BCADMP NC[C@H]1C[N@H+](CCCCCCC[NH3+])CCCO1 ZINC000842477844 588030146 /nfs/dbraw/zinc/03/01/46/588030146.db2.gz BTHCVHUVBJSOTF-ZDUSSCGKSA-N 2 1 243.395 0.945 20 0 BCADMP NC[C@H]1C[N@@H+](CCCCCCC[NH3+])CCCO1 ZINC000842477844 588030148 /nfs/dbraw/zinc/03/01/48/588030148.db2.gz BTHCVHUVBJSOTF-ZDUSSCGKSA-N 2 1 243.395 0.945 20 0 BCADMP [NH3+]CCCCCCCN1CCCO[C@@H](C[NH3+])C1 ZINC000842477844 588030150 /nfs/dbraw/zinc/03/01/50/588030150.db2.gz BTHCVHUVBJSOTF-ZDUSSCGKSA-N 2 1 243.395 0.945 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH3+] ZINC000842510800 588032451 /nfs/dbraw/zinc/03/24/51/588032451.db2.gz VPMJULHBNOIHEV-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842667673 588050877 /nfs/dbraw/zinc/05/08/77/588050877.db2.gz BGFUCUYQTNTLED-NWDGAFQWSA-N 2 1 230.352 0.722 20 0 BCADMP C[NH+](C)Cc1cnc(CN2CC[C@@H]([NH3+])C2)s1 ZINC000843045564 588076353 /nfs/dbraw/zinc/07/63/53/588076353.db2.gz VEHMEYIPZVISBH-SECBINFHSA-N 2 1 240.376 0.738 20 0 BCADMP C[C@H](C[NH3+])N(C)Cc1ncc(C[NH+](C)C)s1 ZINC000843051495 588077131 /nfs/dbraw/zinc/07/71/31/588077131.db2.gz JKKASOSTSUOGLB-SECBINFHSA-N 2 1 242.392 0.984 20 0 BCADMP Cn1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843120167 588083856 /nfs/dbraw/zinc/08/38/56/588083856.db2.gz GPLPHDAMTUICHI-UHFFFAOYSA-N 2 1 234.347 0.996 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCOC1=O ZINC000843356294 588102976 /nfs/dbraw/zinc/10/29/76/588102976.db2.gz TVGJNACOPNGINI-LLVKDONJSA-N 2 1 229.324 0.402 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000843356613 588103973 /nfs/dbraw/zinc/10/39/73/588103973.db2.gz YQSNNJPBJHGSGE-QWHCGFSZSA-N 3 1 243.395 0.944 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000843356613 588103974 /nfs/dbraw/zinc/10/39/74/588103974.db2.gz YQSNNJPBJHGSGE-QWHCGFSZSA-N 3 1 243.395 0.944 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000843469941 588113226 /nfs/dbraw/zinc/11/32/26/588113226.db2.gz BXCVPLBACRKYRU-UWVGGRQHSA-N 2 1 238.335 0.860 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843475150 588113781 /nfs/dbraw/zinc/11/37/81/588113781.db2.gz ZZOONRUBXINICA-GFCCVEGCSA-N 2 1 248.330 0.164 20 0 BCADMP CC(C)([NH3+])CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481131 588114575 /nfs/dbraw/zinc/11/45/75/588114575.db2.gz OLQOIKVVXROQHU-MRVPVSSYSA-N 2 1 249.305 0.569 20 0 BCADMP CC[NH2+]CC(=O)NCCCn1cc[nH+]c1C ZINC000844171474 588170682 /nfs/dbraw/zinc/17/06/82/588170682.db2.gz JEINOKZFJUIXIS-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000844183041 588172142 /nfs/dbraw/zinc/17/21/42/588172142.db2.gz OGWFEFDFCPVSRX-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000844179286 588172198 /nfs/dbraw/zinc/17/21/98/588172198.db2.gz BBZHALWXRGDPTP-GDNZZTSVSA-N 2 1 239.363 0.298 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000844191052 588172611 /nfs/dbraw/zinc/17/26/11/588172611.db2.gz PJJWPMHAWYMIST-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000844190512 588173010 /nfs/dbraw/zinc/17/30/10/588173010.db2.gz JFHGSKQBXWEJDG-VHSXEESVSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)[NH+](C)C ZINC000844197849 588173341 /nfs/dbraw/zinc/17/33/41/588173341.db2.gz YROUEFACRYYICU-YUMQZZPRSA-N 2 1 235.278 0.002 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846227115 588261545 /nfs/dbraw/zinc/26/15/45/588261545.db2.gz GTAXPVKGGUGGAH-HRDYMLBCSA-N 2 1 220.263 0.154 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846227115 588261546 /nfs/dbraw/zinc/26/15/46/588261546.db2.gz GTAXPVKGGUGGAH-HRDYMLBCSA-N 2 1 220.263 0.154 20 0 BCADMP c1c[nH+]c(N2CCN(CC[NH+]3CCCC3)CC2)[nH]1 ZINC000846878391 588294822 /nfs/dbraw/zinc/29/48/22/588294822.db2.gz QCLMWVLCGAQOIL-UHFFFAOYSA-N 2 1 249.362 0.628 20 0 BCADMP CNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987832 588426085 /nfs/dbraw/zinc/42/60/85/588426085.db2.gz FSZBBVKBDPDKRV-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987689 588426282 /nfs/dbraw/zinc/42/62/82/588426282.db2.gz QRTSXHQTEKIKCY-NSHDSACASA-N 2 1 244.383 0.866 20 0 BCADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000849001758 588431096 /nfs/dbraw/zinc/43/10/96/588431096.db2.gz AHALKFOZGWPGCK-JTQLQIEISA-N 2 1 228.340 0.231 20 0 BCADMP CCCC[N@@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849005417 588432300 /nfs/dbraw/zinc/43/23/00/588432300.db2.gz CZEVCHOOVDFINB-UHFFFAOYSA-N 2 1 212.341 0.948 20 0 BCADMP CCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039160 588446596 /nfs/dbraw/zinc/44/65/96/588446596.db2.gz KUNFIRZCNSBWHY-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000849041864 588448454 /nfs/dbraw/zinc/44/84/54/588448454.db2.gz YNEMIYDCAYHSNB-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000849216121 588462143 /nfs/dbraw/zinc/46/21/43/588462143.db2.gz VIXVOQTYYPLANH-LLVKDONJSA-N 2 1 224.352 0.657 20 0 BCADMP [NH3+]CCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000849350734 588474769 /nfs/dbraw/zinc/47/47/69/588474769.db2.gz ULYNGOGIISRFTL-UHFFFAOYSA-N 2 1 209.293 0.205 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)OC)[C@@H](C)C1 ZINC000850480358 588551198 /nfs/dbraw/zinc/55/11/98/588551198.db2.gz QGXLQAALRPQFES-NWDGAFQWSA-N 2 1 229.368 0.800 20 0 BCADMP FC(F)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000851732222 588619425 /nfs/dbraw/zinc/61/94/25/588619425.db2.gz LYPQHHQYCWNMCY-OCAPTIKFSA-N 2 1 206.236 0.377 20 0 BCADMP FC(F)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000851732222 588619426 /nfs/dbraw/zinc/61/94/26/588619426.db2.gz LYPQHHQYCWNMCY-OCAPTIKFSA-N 2 1 206.236 0.377 20 0 BCADMP C[N@@H+](C[C@H]1CNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782208 588627869 /nfs/dbraw/zinc/62/78/69/588627869.db2.gz OHTYFECSRYQJCL-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@H]1CNC(=O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000851782208 588627870 /nfs/dbraw/zinc/62/78/70/588627870.db2.gz OHTYFECSRYQJCL-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@H]1CNC(=O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000851782208 588627871 /nfs/dbraw/zinc/62/78/71/588627871.db2.gz OHTYFECSRYQJCL-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@@H+](C[C@H]1CNCCO1)C1CCC([NH3+])CC1 ZINC000852741624 588698416 /nfs/dbraw/zinc/69/84/16/588698416.db2.gz XBZVHHRDVMNMNY-HTAVTVPLSA-N 2 1 227.352 0.177 20 0 BCADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)nc1 ZINC000852750223 588699870 /nfs/dbraw/zinc/69/98/70/588699870.db2.gz ONISAQTVKNWIBH-OLZOCXBDSA-N 2 1 247.342 0.859 20 0 BCADMP c1ccc([C@@H]2CCN(C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750223 588699871 /nfs/dbraw/zinc/69/98/71/588699871.db2.gz ONISAQTVKNWIBH-OLZOCXBDSA-N 2 1 247.342 0.859 20 0 BCADMP O=C1OCCN1[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852755221 588700428 /nfs/dbraw/zinc/70/04/28/588700428.db2.gz HVQWULWAYGWONE-QWRGUYRKSA-N 2 1 239.319 0.122 20 0 BCADMP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852755222 588700710 /nfs/dbraw/zinc/70/07/10/588700710.db2.gz HVQWULWAYGWONE-WDEREUQCSA-N 2 1 239.319 0.122 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864269 588709141 /nfs/dbraw/zinc/70/91/41/588709141.db2.gz QROOERNIMHCFPU-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP C[N@H+]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852876375 588710525 /nfs/dbraw/zinc/71/05/25/588710525.db2.gz ZPNYCMMKWLSDKF-UHFFFAOYSA-N 2 1 237.347 0.460 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000861565082 589168422 /nfs/dbraw/zinc/16/84/22/589168422.db2.gz FJWUICPETYPSJE-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000861575819 589169039 /nfs/dbraw/zinc/16/90/39/589169039.db2.gz RNUHDMOFSVQDGS-SECBINFHSA-N 2 1 228.340 0.069 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861632528 589171203 /nfs/dbraw/zinc/17/12/03/589171203.db2.gz GEYDDTXOGFBSOQ-QWRGUYRKSA-N 2 1 244.383 0.704 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000863542354 589296865 /nfs/dbraw/zinc/29/68/65/589296865.db2.gz QCGOJDWLQCEWBC-USWWRNFRSA-N 2 1 238.331 0.978 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000863542350 589297000 /nfs/dbraw/zinc/29/70/00/589297000.db2.gz QCGOJDWLQCEWBC-ADEWGFFLSA-N 2 1 238.331 0.978 20 0 BCADMP CON(C)C(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000863546902 589298143 /nfs/dbraw/zinc/29/81/43/589298143.db2.gz HKEDGZSMRSGVGN-NFLHVTIKSA-N 2 1 241.335 0.267 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000864463954 589369918 /nfs/dbraw/zinc/36/99/18/589369918.db2.gz NZPUOKBTBBHGKI-UTLUCORTSA-N 2 1 233.319 0.720 20 0 BCADMP Nc1ccc2c(c1)OCC[N@@H+](CCC[NH3+])C2 ZINC000866688909 589512458 /nfs/dbraw/zinc/51/24/58/589512458.db2.gz CGMBSSIXBZEIBW-UHFFFAOYSA-N 2 1 221.304 0.812 20 0 BCADMP Nc1ccc2c(c1)OCC[N@H+](CCC[NH3+])C2 ZINC000866688909 589512459 /nfs/dbraw/zinc/51/24/59/589512459.db2.gz CGMBSSIXBZEIBW-UHFFFAOYSA-N 2 1 221.304 0.812 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000866697827 589512536 /nfs/dbraw/zinc/51/25/36/589512536.db2.gz ZKQITLRKIFGMEG-LLVKDONJSA-N 2 1 249.362 0.839 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000866697827 589512537 /nfs/dbraw/zinc/51/25/37/589512537.db2.gz ZKQITLRKIFGMEG-LLVKDONJSA-N 2 1 249.362 0.839 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866704392 589513290 /nfs/dbraw/zinc/51/32/90/589513290.db2.gz SYYMFMHJQQGDDO-NEPJUHHUSA-N 2 1 230.352 0.323 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704729 589513748 /nfs/dbraw/zinc/51/37/48/589513748.db2.gz XDOAQMJBUJKQSI-MNOVXSKESA-N 2 1 230.377 0.647 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000866706297 589514422 /nfs/dbraw/zinc/51/44/22/589514422.db2.gz HEASAFPCIXDBRH-ZWNOBZJWSA-N 2 1 239.363 0.572 20 0 BCADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723967 589516030 /nfs/dbraw/zinc/51/60/30/589516030.db2.gz KLTKMMORSBSOTD-AVGNSLFASA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723967 589516031 /nfs/dbraw/zinc/51/60/31/589516031.db2.gz KLTKMMORSBSOTD-AVGNSLFASA-N 3 1 223.364 0.812 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000870866235 589692254 /nfs/dbraw/zinc/69/22/54/589692254.db2.gz OVLWCLIQVQONAC-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000870872410 589693197 /nfs/dbraw/zinc/69/31/97/589693197.db2.gz UVENNRBTZBHIBE-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000870892830 589695281 /nfs/dbraw/zinc/69/52/81/589695281.db2.gz NDMSVVJZWIYGER-GMTAPVOTSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000870928965 589697559 /nfs/dbraw/zinc/69/75/59/589697559.db2.gz NICAIGMHNQUEJZ-OPRDCNLKSA-N 2 1 225.336 0.465 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970824 589703044 /nfs/dbraw/zinc/70/30/44/589703044.db2.gz LJNDTMSRZVPTSV-MGCOHNPYSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970432 589703095 /nfs/dbraw/zinc/70/30/95/589703095.db2.gz VJDAZHPAXDQWQO-MGCOHNPYSA-N 2 1 213.325 0.180 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981487 589703149 /nfs/dbraw/zinc/70/31/49/589703149.db2.gz IXTCKXWOFKATSV-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980851 589704484 /nfs/dbraw/zinc/70/44/84/589704484.db2.gz CZYYWVFPBZAHOE-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981595 589704780 /nfs/dbraw/zinc/70/47/80/589704780.db2.gz JOMIBEZKXVQGRG-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980850 589704843 /nfs/dbraw/zinc/70/48/43/589704843.db2.gz CZYYWVFPBZAHOE-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH3+])CC[C@H]21 ZINC000870981583 589704934 /nfs/dbraw/zinc/70/49/34/589704934.db2.gz JMNYILXVKBHVBP-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982663 589705050 /nfs/dbraw/zinc/70/50/50/589705050.db2.gz OITBNNSUGFSMAR-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983779 589705080 /nfs/dbraw/zinc/70/50/80/589705080.db2.gz YFASWWKFKCNEDL-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983279 589705205 /nfs/dbraw/zinc/70/52/05/589705205.db2.gz URCQBMKJBQECQS-TUAOUCFPSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983126 589705210 /nfs/dbraw/zinc/70/52/10/589705210.db2.gz SWDDEGQPUDOTFE-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000870983627 589705295 /nfs/dbraw/zinc/70/52/95/589705295.db2.gz WYNDQZZZEHZDEV-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983781 589705498 /nfs/dbraw/zinc/70/54/98/589705498.db2.gz YFASWWKFKCNEDL-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123552829 589751167 /nfs/dbraw/zinc/75/11/67/589751167.db2.gz CREQXJORFYEBFQ-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N(C)CCOC)C1 ZINC000871604147 589774436 /nfs/dbraw/zinc/77/44/36/589774436.db2.gz VWFKVNDUWDVPCY-LLVKDONJSA-N 2 1 242.367 0.431 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123748337 589792547 /nfs/dbraw/zinc/79/25/47/589792547.db2.gz BDBSWYVFPIZQOV-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872143562 589883673 /nfs/dbraw/zinc/88/36/73/589883673.db2.gz SREYIFYZPNHEML-WDEREUQCSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872143562 589883677 /nfs/dbraw/zinc/88/36/77/589883677.db2.gz SREYIFYZPNHEML-WDEREUQCSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872145725 589884502 /nfs/dbraw/zinc/88/45/02/589884502.db2.gz WJBIQNQVVXDKQS-LBPRGKRZSA-N 2 1 242.363 0.853 20 0 BCADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(C)=O)CC1 ZINC000872146683 589884960 /nfs/dbraw/zinc/88/49/60/589884960.db2.gz UXWOGICYEKTUQM-LBPRGKRZSA-N 2 1 228.336 0.258 20 0 BCADMP CCn1cc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000872154737 589886016 /nfs/dbraw/zinc/88/60/16/589886016.db2.gz XTGPNTWQICHJJD-UONOGXRCSA-N 2 1 248.374 0.987 20 0 BCADMP CCn1cc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000872154737 589886017 /nfs/dbraw/zinc/88/60/17/589886017.db2.gz XTGPNTWQICHJJD-UONOGXRCSA-N 2 1 248.374 0.987 20 0 BCADMP CS[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872224334 589897527 /nfs/dbraw/zinc/89/75/27/589897527.db2.gz AKSVTGOCRGQFCZ-YUSALJHKSA-N 2 1 244.404 0.925 20 0 BCADMP CS[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872224334 589897529 /nfs/dbraw/zinc/89/75/29/589897529.db2.gz AKSVTGOCRGQFCZ-YUSALJHKSA-N 2 1 244.404 0.925 20 0 BCADMP Nc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000873201559 589992832 /nfs/dbraw/zinc/99/28/32/589992832.db2.gz LJVUJLKDHMEYQP-ZMLRMANQSA-N 2 1 247.346 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000873201559 589992834 /nfs/dbraw/zinc/99/28/34/589992834.db2.gz LJVUJLKDHMEYQP-ZMLRMANQSA-N 2 1 247.346 0.618 20 0 BCADMP C([N@H+]1CCC2(C1)CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873210614 589995504 /nfs/dbraw/zinc/99/55/04/589995504.db2.gz LZSKWHYYIMYNQY-UHFFFAOYSA-N 3 1 235.375 0.814 20 0 BCADMP C(N1CCC2(C1)CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873210614 589995507 /nfs/dbraw/zinc/99/55/07/589995507.db2.gz LZSKWHYYIMYNQY-UHFFFAOYSA-N 2 1 235.375 0.814 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000873217680 589998454 /nfs/dbraw/zinc/99/84/54/589998454.db2.gz OPHOZFDSADBOAW-ISCIKXKRSA-N 2 1 236.359 0.997 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000873217679 589998480 /nfs/dbraw/zinc/99/84/80/589998480.db2.gz OPHOZFDSADBOAW-BUWWMVEJSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000873221847 589999789 /nfs/dbraw/zinc/99/97/89/589999789.db2.gz RNEAODFPDDCLAS-QPPOZKHWSA-N 2 1 235.375 0.764 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000873229251 590000918 /nfs/dbraw/zinc/00/09/18/590000918.db2.gz QHRRTXIEXSPOLE-QWHCGFSZSA-N 2 1 222.332 0.874 20 0 BCADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccnn1C ZINC000873223986 590000970 /nfs/dbraw/zinc/00/09/70/590000970.db2.gz WBXPAYIKOJCCTQ-VIFPVBQESA-N 2 1 208.309 0.823 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232236 590003181 /nfs/dbraw/zinc/00/31/81/590003181.db2.gz NPOMWAWMNPHZDG-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000873236286 590004342 /nfs/dbraw/zinc/00/43/42/590004342.db2.gz VIYMKUXBLJPBKG-TUAOUCFPSA-N 2 1 241.379 0.301 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000873249309 590007477 /nfs/dbraw/zinc/00/74/77/590007477.db2.gz KPMLLUSJYPFYHP-BBBLOLIVSA-N 3 1 220.320 0.882 20 0 BCADMP N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250326 590007577 /nfs/dbraw/zinc/00/75/77/590007577.db2.gz OYBZJBKTPKJQEN-USZNOCQGSA-N 2 1 211.353 0.973 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735304 590234241 /nfs/dbraw/zinc/23/42/41/590234241.db2.gz CZYYDBOKYANIHU-GHMZBOCLSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876750520 590238032 /nfs/dbraw/zinc/23/80/32/590238032.db2.gz WFQUVVRKDIKVHO-GHMZBOCLSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000876772493 590239436 /nfs/dbraw/zinc/23/94/36/590239436.db2.gz OFXGRIOYBZKCSS-IJLUTSLNSA-N 2 1 241.379 0.912 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000876808980 590244899 /nfs/dbraw/zinc/24/48/99/590244899.db2.gz OFHQPDSIMXBJIR-NKWVEPMBSA-N 2 1 235.278 0.070 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876809783 590245460 /nfs/dbraw/zinc/24/54/60/590245460.db2.gz XFNYBLHRFDCZPQ-NWALNABHSA-N 2 1 247.289 0.252 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000876830185 590245930 /nfs/dbraw/zinc/24/59/30/590245930.db2.gz CLWMMSPAMHRKFM-LPEHRKFASA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[NH+](C)C ZINC000876855102 590249842 /nfs/dbraw/zinc/24/98/42/590249842.db2.gz YROUEFACRYYICU-HTQZYQBOSA-N 2 1 235.278 0.002 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925103 590257662 /nfs/dbraw/zinc/25/76/62/590257662.db2.gz UIPCLYDWBTXIPN-CYBMUJFWSA-N 2 1 248.330 0.546 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH3+])C1 ZINC000876937938 590259082 /nfs/dbraw/zinc/25/90/82/590259082.db2.gz JNJZMXOKNUDNAA-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000877102771 590283802 /nfs/dbraw/zinc/28/38/02/590283802.db2.gz DLLBBNXLBWSTFD-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877248934 590303551 /nfs/dbraw/zinc/30/35/51/590303551.db2.gz GJJSLFAKVADMHI-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284751 590306819 /nfs/dbraw/zinc/30/68/19/590306819.db2.gz VZKKAZGWQUVWQI-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386885 590321499 /nfs/dbraw/zinc/32/14/99/590321499.db2.gz ULQMDKBQGYVAMG-YPMHNXCESA-N 2 1 248.330 0.592 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393444 590322469 /nfs/dbraw/zinc/32/24/69/590322469.db2.gz XUWBQPXYZCMKCV-DGCLKSJQSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451646 590330041 /nfs/dbraw/zinc/33/00/41/590330041.db2.gz SCFPMPMJMIAYBU-FHUSYTEZSA-N 2 1 249.358 0.147 20 0 BCADMP COCC[N@@H+](C[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879126618 590695809 /nfs/dbraw/zinc/69/58/09/590695809.db2.gz LGUFEPHXJKUTHU-LBPRGKRZSA-N 2 1 244.379 0.657 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569870 590805916 /nfs/dbraw/zinc/80/59/16/590805916.db2.gz VCXWJXNLASMNRI-QWRGUYRKSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569870 590805921 /nfs/dbraw/zinc/80/59/21/590805921.db2.gz VCXWJXNLASMNRI-QWRGUYRKSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569870 590805912 /nfs/dbraw/zinc/80/59/12/590805912.db2.gz VCXWJXNLASMNRI-QWRGUYRKSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569870 590805924 /nfs/dbraw/zinc/80/59/24/590805924.db2.gz VCXWJXNLASMNRI-QWRGUYRKSA-N 2 1 226.320 0.576 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579241 590816543 /nfs/dbraw/zinc/81/65/43/590816543.db2.gz KMCKYSDMHQMKSU-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579241 590816546 /nfs/dbraw/zinc/81/65/46/590816546.db2.gz KMCKYSDMHQMKSU-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579241 590816548 /nfs/dbraw/zinc/81/65/48/590816548.db2.gz KMCKYSDMHQMKSU-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579241 590816550 /nfs/dbraw/zinc/81/65/50/590816550.db2.gz KMCKYSDMHQMKSU-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580010 590817009 /nfs/dbraw/zinc/81/70/09/590817009.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580010 590817011 /nfs/dbraw/zinc/81/70/11/590817011.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580010 590817014 /nfs/dbraw/zinc/81/70/14/590817014.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 2 1 244.404 0.736 20 0 BCADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580812 590821249 /nfs/dbraw/zinc/82/12/49/590821249.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580812 590821253 /nfs/dbraw/zinc/82/12/53/590821253.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580812 590821256 /nfs/dbraw/zinc/82/12/56/590821256.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580813 590821665 /nfs/dbraw/zinc/82/16/65/590821665.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580813 590821666 /nfs/dbraw/zinc/82/16/66/590821666.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580813 590821668 /nfs/dbraw/zinc/82/16/68/590821668.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880488715 591066884 /nfs/dbraw/zinc/06/68/84/591066884.db2.gz KVNYZTYYBQQQSQ-GFCCVEGCSA-N 2 1 221.304 0.814 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C[C@@H]1CO ZINC000880488715 591066888 /nfs/dbraw/zinc/06/68/88/591066888.db2.gz KVNYZTYYBQQQSQ-GFCCVEGCSA-N 2 1 221.304 0.814 20 0 BCADMP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000882960639 591484675 /nfs/dbraw/zinc/48/46/75/591484675.db2.gz QRQBQOCBOMZDTM-VIFPVBQESA-N 2 1 234.303 0.109 20 0 BCADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000882960639 591484676 /nfs/dbraw/zinc/48/46/76/591484676.db2.gz QRQBQOCBOMZDTM-VIFPVBQESA-N 2 1 234.303 0.109 20 0 BCADMP CON(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000883171977 591560124 /nfs/dbraw/zinc/56/01/24/591560124.db2.gz OQQKTBAMQIQQGJ-UHFFFAOYSA-N 2 1 238.335 0.730 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH2+]C[C@@H]1C(F)F ZINC000883428095 591660331 /nfs/dbraw/zinc/66/03/31/591660331.db2.gz LLEONNSDISDYIZ-SNVBAGLBSA-N 2 1 244.289 0.502 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000883427630 591660999 /nfs/dbraw/zinc/66/09/99/591660999.db2.gz XECVPANAGQMPHY-WOPDTQHZSA-N 2 1 229.343 0.747 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1 ZINC000883427630 591661001 /nfs/dbraw/zinc/66/10/01/591661001.db2.gz XECVPANAGQMPHY-WOPDTQHZSA-N 2 1 229.343 0.747 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C(C)(C)C1 ZINC000883436786 591665684 /nfs/dbraw/zinc/66/56/84/591665684.db2.gz AUVJKWPXRDEDQJ-QWRGUYRKSA-N 2 1 229.343 0.712 20 0 BCADMP Cn1cncc1CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000883441836 591670014 /nfs/dbraw/zinc/67/00/14/591670014.db2.gz YPFUFZKVTIUTNI-WCQYABFASA-N 3 1 234.347 0.504 20 0 BCADMP Cn1cncc1CCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000883441836 591670018 /nfs/dbraw/zinc/67/00/18/591670018.db2.gz YPFUFZKVTIUTNI-WCQYABFASA-N 3 1 234.347 0.504 20 0 BCADMP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000883448533 591671027 /nfs/dbraw/zinc/67/10/27/591671027.db2.gz IECNZSFDFFJGIS-RWMBFGLXSA-N 2 1 237.347 0.006 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000883462393 591674576 /nfs/dbraw/zinc/67/45/76/591674576.db2.gz PYOJORLLDNQZKJ-WOPDTQHZSA-N 2 1 237.347 0.196 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000883462393 591674578 /nfs/dbraw/zinc/67/45/78/591674578.db2.gz PYOJORLLDNQZKJ-WOPDTQHZSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000132411472 591706846 /nfs/dbraw/zinc/70/68/46/591706846.db2.gz FKYWVRWBIVWPGK-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000883679277 591717610 /nfs/dbraw/zinc/71/76/10/591717610.db2.gz FNYVQTLQAGBJFE-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132906302 591747019 /nfs/dbraw/zinc/74/70/19/591747019.db2.gz SEPUZIDVGRGBDW-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133079164 591762206 /nfs/dbraw/zinc/76/22/06/591762206.db2.gz PONCDQVTAGYBHB-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP CC1(C)C[N@@H+](CCOCC[NH3+])CCS1 ZINC000133355076 591787855 /nfs/dbraw/zinc/78/78/55/591787855.db2.gz QAIXYJURHKDQGH-UHFFFAOYSA-N 2 1 218.366 0.789 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000884199157 591871415 /nfs/dbraw/zinc/87/14/15/591871415.db2.gz QVSBQPVDQBYVRJ-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCOC ZINC000884207363 591873436 /nfs/dbraw/zinc/87/34/36/591873436.db2.gz UHBOJMKXXVACTM-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC[N@H+]1C ZINC000884361704 591914444 /nfs/dbraw/zinc/91/44/44/591914444.db2.gz XJKFJQOFRANMFX-CHWFTXMASA-N 2 1 239.363 0.569 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)c2ncoc2C[NH3+])C[NH2+]1 ZINC000884438058 591934496 /nfs/dbraw/zinc/93/44/96/591934496.db2.gz UGEMMOPMRXRILJ-SFYZADRCSA-N 2 1 238.291 0.004 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)C[C@@H]2CCCO2)CC1 ZINC000886229231 592180959 /nfs/dbraw/zinc/18/09/59/592180959.db2.gz MVJSFIRSMLWUNT-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CCOC ZINC000220014391 592273142 /nfs/dbraw/zinc/27/31/42/592273142.db2.gz ISUJIPAJTDJGDS-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827134 592349939 /nfs/dbraw/zinc/34/99/39/592349939.db2.gz FHGVDZOGHXMAHV-UTUOFQBUSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827134 592349942 /nfs/dbraw/zinc/34/99/42/592349942.db2.gz FHGVDZOGHXMAHV-UTUOFQBUSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827133 592350915 /nfs/dbraw/zinc/35/09/15/592350915.db2.gz FHGVDZOGHXMAHV-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827133 592350920 /nfs/dbraw/zinc/35/09/20/592350920.db2.gz FHGVDZOGHXMAHV-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838411 592359261 /nfs/dbraw/zinc/35/92/61/592359261.db2.gz XBFJAIXCPDUXNU-RNJOBUHISA-N 2 1 222.332 0.564 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1C[C@@]12CCOC2 ZINC000886841538 592362827 /nfs/dbraw/zinc/36/28/27/592362827.db2.gz OBWFBKCDSINXHG-QZQSVVMZSA-N 2 1 222.332 0.836 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886860116 592372766 /nfs/dbraw/zinc/37/27/66/592372766.db2.gz RTTLMQNGHHJOBX-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP CNC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872527 592376585 /nfs/dbraw/zinc/37/65/85/592376585.db2.gz UWYACAQOUBZTKC-GFCCVEGCSA-N 2 1 225.336 0.198 20 0 BCADMP CNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872527 592376590 /nfs/dbraw/zinc/37/65/90/592376590.db2.gz UWYACAQOUBZTKC-GFCCVEGCSA-N 2 1 225.336 0.198 20 0 BCADMP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874564 592377541 /nfs/dbraw/zinc/37/75/41/592377541.db2.gz QLHJLCKPURHJCM-JQWIXIFHSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874564 592377546 /nfs/dbraw/zinc/37/75/46/592377546.db2.gz QLHJLCKPURHJCM-JQWIXIFHSA-N 2 1 225.336 0.326 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886881128 592380340 /nfs/dbraw/zinc/38/03/40/592380340.db2.gz RFUKDSNABFUXHK-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886881128 592380343 /nfs/dbraw/zinc/38/03/43/592380343.db2.gz RFUKDSNABFUXHK-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP C[C@H](CNC(=[NH2+])NCC1CC1)[N@@H+](C)C1CC1 ZINC000887352937 592486417 /nfs/dbraw/zinc/48/64/17/592486417.db2.gz VGELIQXCMSWITB-SECBINFHSA-N 2 1 224.352 0.993 20 0 BCADMP CCNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000300355282 592507313 /nfs/dbraw/zinc/50/73/13/592507313.db2.gz NIDWULUPFMTHQK-SECBINFHSA-N 2 1 200.330 0.851 20 0 BCADMP CCC[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925703671 634382591 /nfs/dbraw/zinc/38/25/91/634382591.db2.gz AXBWEWGMQUMBEJ-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C12CCC2 ZINC000925705140 634385618 /nfs/dbraw/zinc/38/56/18/634385618.db2.gz HXYQTJKSBFDRNE-WRWGMCAJSA-N 2 1 223.364 0.973 20 0 BCADMP N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C12CCC2 ZINC000925705138 634387044 /nfs/dbraw/zinc/38/70/44/634387044.db2.gz HXYQTJKSBFDRNE-NOOOWODRSA-N 2 1 223.364 0.973 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925705904 634387846 /nfs/dbraw/zinc/38/78/46/634387846.db2.gz IYOVYNWXPFQPBN-SRVKXCTJSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000925705904 634387852 /nfs/dbraw/zinc/38/78/52/634387852.db2.gz IYOVYNWXPFQPBN-SRVKXCTJSA-N 2 1 223.364 0.859 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)[C@H]1CCOC1 ZINC000925710891 634408654 /nfs/dbraw/zinc/40/86/54/634408654.db2.gz CHLSHCNEEIHVDD-QJPTWQEYSA-N 2 1 242.363 0.768 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716574 634449881 /nfs/dbraw/zinc/44/98/81/634449881.db2.gz AJUJMBSUYJVSBI-QJPTWQEYSA-N 2 1 223.364 0.940 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000236711384 634457555 /nfs/dbraw/zinc/45/75/55/634457555.db2.gz IUTOOTLCGASWHU-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925721276 634459918 /nfs/dbraw/zinc/45/99/18/634459918.db2.gz BRKFZNFMTSWYPG-USWWRNFRSA-N 2 1 238.331 0.978 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]CC2CC([NH3+])C2)C12CCC2 ZINC000925727640 634525965 /nfs/dbraw/zinc/52/59/65/634525965.db2.gz AUGGSVRQKIQHNQ-WFBLGPOFSA-N 2 1 209.337 0.583 20 0 BCADMP CCCn1ncnc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125511337 634526819 /nfs/dbraw/zinc/52/68/19/634526819.db2.gz KUKPLSOEIMKPSS-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP CCCn1ncnc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125511337 634526831 /nfs/dbraw/zinc/52/68/31/634526831.db2.gz KUKPLSOEIMKPSS-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP Nc1ccnc2c1CN(CCOCCO)CC2 ZINC000931510578 634529772 /nfs/dbraw/zinc/52/97/72/634529772.db2.gz FYLVKTQEOVZEHI-UHFFFAOYSA-N 2 1 237.303 0.031 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125545920 634539534 /nfs/dbraw/zinc/53/95/34/634539534.db2.gz WFYKQKJPKCGMGT-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000253229340 634540183 /nfs/dbraw/zinc/54/01/83/634540183.db2.gz LFUUXVZTXTZPRF-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000253229340 634540188 /nfs/dbraw/zinc/54/01/88/634540188.db2.gz LFUUXVZTXTZPRF-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391717 635217984 /nfs/dbraw/zinc/21/79/84/635217984.db2.gz RUAFOWYGHYJGRD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391717 635218004 /nfs/dbraw/zinc/21/80/04/635218004.db2.gz RUAFOWYGHYJGRD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391717 635218008 /nfs/dbraw/zinc/21/80/08/635218008.db2.gz RUAFOWYGHYJGRD-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792808 635325278 /nfs/dbraw/zinc/32/52/78/635325278.db2.gz WGTSYXUZYGCZGY-WISYIIOYSA-N 2 1 211.353 0.382 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792808 635325284 /nfs/dbraw/zinc/32/52/84/635325284.db2.gz WGTSYXUZYGCZGY-WISYIIOYSA-N 2 1 211.353 0.382 20 0 BCADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)C1)C2 ZINC000250602146 635485956 /nfs/dbraw/zinc/48/59/56/635485956.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 1 223.364 0.905 20 0 BCADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000250602146 635485969 /nfs/dbraw/zinc/48/59/69/635485969.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 1 223.364 0.905 20 0 BCADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000250602146 635485987 /nfs/dbraw/zinc/48/59/87/635485987.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 1 223.364 0.905 20 0 BCADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000250602146 635485997 /nfs/dbraw/zinc/48/59/97/635485997.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 1 223.364 0.905 20 0 BCADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000250602146 635486004 /nfs/dbraw/zinc/48/60/04/635486004.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 1 223.364 0.905 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000250883429 635504569 /nfs/dbraw/zinc/50/45/69/635504569.db2.gz VYKKFQFUNNOQQK-YNEHKIRRSA-N 2 1 224.348 0.974 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000250883429 635504575 /nfs/dbraw/zinc/50/45/75/635504575.db2.gz VYKKFQFUNNOQQK-YNEHKIRRSA-N 2 1 224.348 0.974 20 0 BCADMP C1C[C@H]([C@H]2CCCC[NH2+]2)[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925865017 635566994 /nfs/dbraw/zinc/56/69/94/635566994.db2.gz OHFLSYQZDYOFFV-LOWDOPEQSA-N 2 1 239.363 0.790 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880409 635607923 /nfs/dbraw/zinc/60/79/23/635607923.db2.gz RDGZQYNQTABQBK-WISYIIOYSA-N 3 1 211.353 0.844 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925894514 635619066 /nfs/dbraw/zinc/61/90/66/635619066.db2.gz ZLCZXVIRBSHMTR-GARJFASQSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)CO ZINC000926207888 631434650 /nfs/dbraw/zinc/43/46/50/631434650.db2.gz XAMOGMUPSPTCAY-SNVBAGLBSA-N 2 1 225.336 0.959 20 0 BCADMP CCOCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732217 631493196 /nfs/dbraw/zinc/49/31/96/631493196.db2.gz NGEGFYVNJSFOOK-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CCOCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732217 631493202 /nfs/dbraw/zinc/49/32/02/631493202.db2.gz NGEGFYVNJSFOOK-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CCOCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732217 631493206 /nfs/dbraw/zinc/49/32/06/631493206.db2.gz NGEGFYVNJSFOOK-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CCOCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732217 631493212 /nfs/dbraw/zinc/49/32/12/631493212.db2.gz NGEGFYVNJSFOOK-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001022437142 631555391 /nfs/dbraw/zinc/55/53/91/631555391.db2.gz XGQHHAFWDMQKAK-PHIMTYICSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732325 631557160 /nfs/dbraw/zinc/55/71/60/631557160.db2.gz WIYWHRBQTFBKAV-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000308848049 631694103 /nfs/dbraw/zinc/69/41/03/631694103.db2.gz QDURPKQXPFLVPU-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000308848049 631694107 /nfs/dbraw/zinc/69/41/07/631694107.db2.gz QDURPKQXPFLVPU-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892101887 631728847 /nfs/dbraw/zinc/72/88/47/631728847.db2.gz FWCYEEMNPKRMKZ-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000309056114 631833328 /nfs/dbraw/zinc/83/33/28/631833328.db2.gz FHZDWNAEENGALZ-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309241986 631982547 /nfs/dbraw/zinc/98/25/47/631982547.db2.gz LYMXEBFQGQSKDA-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309241986 631982552 /nfs/dbraw/zinc/98/25/52/631982552.db2.gz LYMXEBFQGQSKDA-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[NH+](C)C ZINC000052047747 632056188 /nfs/dbraw/zinc/05/61/88/632056188.db2.gz LWZCGDHVCUCHLK-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1C[NH3+] ZINC000251730945 635706456 /nfs/dbraw/zinc/70/64/56/635706456.db2.gz KHNUPTLSQLOMSO-RYUDHWBXSA-N 2 1 222.336 0.800 20 0 BCADMP C[C@H](O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000308989427 632610788 /nfs/dbraw/zinc/61/07/88/632610788.db2.gz NDCHPEZBPRVVOK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000308989427 632610790 /nfs/dbraw/zinc/61/07/90/632610790.db2.gz NDCHPEZBPRVVOK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000308989427 632610796 /nfs/dbraw/zinc/61/07/96/632610796.db2.gz NDCHPEZBPRVVOK-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000310436070 632740454 /nfs/dbraw/zinc/74/04/54/632740454.db2.gz UGFLKUYJZDJYFA-LLVKDONJSA-N 2 1 236.319 0.435 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000052043017 632782293 /nfs/dbraw/zinc/78/22/93/632782293.db2.gz DSUBORKINNPBQY-QMMMGPOBSA-N 2 1 200.330 0.849 20 0 BCADMP CCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000052043280 632782323 /nfs/dbraw/zinc/78/23/23/632782323.db2.gz NAVVJAGRDZNOHP-SNVBAGLBSA-N 2 1 212.341 0.851 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000236081835 632875837 /nfs/dbraw/zinc/87/58/37/632875837.db2.gz PHTFLZIDSPPHMR-LBPRGKRZSA-N 2 1 222.336 0.633 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000236233741 632901129 /nfs/dbraw/zinc/90/11/29/632901129.db2.gz YMBVEEOZUCWNMY-QMMMGPOBSA-N 2 1 208.252 0.549 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000309429552 633059337 /nfs/dbraw/zinc/05/93/37/633059337.db2.gz FWMQKIBEOAQNMJ-VXGBXAGGSA-N 2 1 226.320 0.335 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000309429552 633059341 /nfs/dbraw/zinc/05/93/41/633059341.db2.gz FWMQKIBEOAQNMJ-VXGBXAGGSA-N 2 1 226.320 0.335 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430265 635913561 /nfs/dbraw/zinc/91/35/61/635913561.db2.gz VNGARZGUWMLPED-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430265 635913563 /nfs/dbraw/zinc/91/35/63/635913563.db2.gz VNGARZGUWMLPED-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430265 635913566 /nfs/dbraw/zinc/91/35/66/635913566.db2.gz VNGARZGUWMLPED-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430265 635913569 /nfs/dbraw/zinc/91/35/69/635913569.db2.gz VNGARZGUWMLPED-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C1CCC([NH3+])CC1 ZINC000309760645 633240918 /nfs/dbraw/zinc/24/09/18/633240918.db2.gz IPIQTFRCNXJJGE-UHFFFAOYSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928444406 635949555 /nfs/dbraw/zinc/94/95/55/635949555.db2.gz ZAPKEAVCHOJOAS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928444406 635949558 /nfs/dbraw/zinc/94/95/58/635949558.db2.gz ZAPKEAVCHOJOAS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928444406 635949561 /nfs/dbraw/zinc/94/95/61/635949561.db2.gz ZAPKEAVCHOJOAS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928444406 635949563 /nfs/dbraw/zinc/94/95/63/635949563.db2.gz ZAPKEAVCHOJOAS-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@@H+](C[C@H](O)CO)CC1CC[NH+](C)CC1 ZINC000894981865 636011354 /nfs/dbraw/zinc/01/13/54/636011354.db2.gz VHMUPPGSQDHVSO-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CCOC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126754363 636021265 /nfs/dbraw/zinc/02/12/65/636021265.db2.gz PTJMGULJJVSLQA-QWRGUYRKSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126754363 636021269 /nfs/dbraw/zinc/02/12/69/636021269.db2.gz PTJMGULJJVSLQA-QWRGUYRKSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2COCO2)CC1(C)C ZINC000894891064 635999524 /nfs/dbraw/zinc/99/95/24/635999524.db2.gz XWBBJIXOWATRQS-MNOVXSKESA-N 2 1 228.336 0.822 20 0 BCADMP OCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000212455435 636096269 /nfs/dbraw/zinc/09/62/69/636096269.db2.gz CAELXKOBCQOXDD-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928560188 636104090 /nfs/dbraw/zinc/10/40/90/636104090.db2.gz PVUIEULDHVUEQE-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928561778 636108007 /nfs/dbraw/zinc/10/80/07/636108007.db2.gz FUOZSTBEHVWSRP-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)C[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328547269 633774686 /nfs/dbraw/zinc/77/46/86/633774686.db2.gz ORQDKMFZJZFEEG-SNIKSBKOSA-N 2 1 238.375 0.979 20 0 BCADMP C[N@H+]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328566310 633776720 /nfs/dbraw/zinc/77/67/20/633776720.db2.gz MPAZSTLPBCUMJX-MNQBEEPXSA-N 2 1 249.402 0.914 20 0 BCADMP C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CO1 ZINC000328574510 633778100 /nfs/dbraw/zinc/77/81/00/633778100.db2.gz WZGHEMCIYQCCQI-DCHHYWPUSA-N 2 1 208.305 0.361 20 0 BCADMP C1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CO1 ZINC000328574517 633778221 /nfs/dbraw/zinc/77/82/21/633778221.db2.gz WZGHEMCIYQCCQI-KUYXLPFXSA-N 2 1 208.305 0.361 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925518971 633877596 /nfs/dbraw/zinc/87/75/96/633877596.db2.gz QJICBKKXKUAQCV-NSHDSACASA-N 2 1 225.336 0.387 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291110 633883288 /nfs/dbraw/zinc/88/32/88/633883288.db2.gz VTVMGQVBHWOWBJ-VXGBXAGGSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291110 633883292 /nfs/dbraw/zinc/88/32/92/633883292.db2.gz VTVMGQVBHWOWBJ-VXGBXAGGSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309291110 633883297 /nfs/dbraw/zinc/88/32/97/633883297.db2.gz VTVMGQVBHWOWBJ-VXGBXAGGSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309291110 633883299 /nfs/dbraw/zinc/88/32/99/633883299.db2.gz VTVMGQVBHWOWBJ-VXGBXAGGSA-N 2 1 232.368 0.654 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895470098 636148709 /nfs/dbraw/zinc/14/87/09/636148709.db2.gz SKTPXFMJUOOBFD-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983993 634029013 /nfs/dbraw/zinc/02/90/13/634029013.db2.gz YQXXGSPKTWBTLC-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983993 634029018 /nfs/dbraw/zinc/02/90/18/634029018.db2.gz YQXXGSPKTWBTLC-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983994 634029310 /nfs/dbraw/zinc/02/93/10/634029310.db2.gz YQXXGSPKTWBTLC-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983994 634029316 /nfs/dbraw/zinc/02/93/16/634029316.db2.gz YQXXGSPKTWBTLC-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925612076 634150123 /nfs/dbraw/zinc/15/01/23/634150123.db2.gz QETAPMQZFOZUCK-VXGBXAGGSA-N 2 1 242.363 0.648 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000925619568 634176260 /nfs/dbraw/zinc/17/62/60/634176260.db2.gz PEROAYKVLLBKPE-RYUDHWBXSA-N 2 1 242.363 0.504 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925674847 634258913 /nfs/dbraw/zinc/25/89/13/634258913.db2.gz DELRBNNZSPFQBD-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000925685779 634296440 /nfs/dbraw/zinc/29/64/40/634296440.db2.gz NFLHFUPPBUOODJ-ZJUUUORDSA-N 2 1 225.336 0.243 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000925685778 634297504 /nfs/dbraw/zinc/29/75/04/634297504.db2.gz NFLHFUPPBUOODJ-VHSXEESVSA-N 2 1 225.336 0.243 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275818 634300144 /nfs/dbraw/zinc/30/01/44/634300144.db2.gz ACFTWZMTMYKKET-KVSVUVNWSA-N 2 1 224.348 0.903 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275818 634300149 /nfs/dbraw/zinc/30/01/49/634300149.db2.gz ACFTWZMTMYKKET-KVSVUVNWSA-N 2 1 224.348 0.903 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925687279 634302151 /nfs/dbraw/zinc/30/21/51/634302151.db2.gz HVUKZWCXZSHYRV-DTWKUNHWSA-N 2 1 213.325 0.241 20 0 BCADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001026734588 634312324 /nfs/dbraw/zinc/31/23/24/634312324.db2.gz PYHLVKBDACWBHE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925691850 634320105 /nfs/dbraw/zinc/32/01/05/634320105.db2.gz NFLQTKHCWMZHKV-GFCCVEGCSA-N 3 1 240.395 0.012 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NC1CCC([NH3+])CC1 ZINC000925693036 634325959 /nfs/dbraw/zinc/32/59/59/634325959.db2.gz NRBSDLUWHUJUEU-VQXHTEKXSA-N 2 1 211.353 0.986 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC[C@H]1CC[NH2+]C1 ZINC000925695217 634344122 /nfs/dbraw/zinc/34/41/22/634344122.db2.gz UNXYDMDIEMDZMO-GHMZBOCLSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699976 634368816 /nfs/dbraw/zinc/36/88/16/634368816.db2.gz QTHSEVWPWKESRL-JQWIXIFHSA-N 2 1 209.337 0.636 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699976 634368818 /nfs/dbraw/zinc/36/88/18/634368818.db2.gz QTHSEVWPWKESRL-JQWIXIFHSA-N 3 1 209.337 0.636 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699975 634369418 /nfs/dbraw/zinc/36/94/18/634369418.db2.gz QTHSEVWPWKESRL-CMPLNLGQSA-N 2 1 209.337 0.636 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699975 634369427 /nfs/dbraw/zinc/36/94/27/634369427.db2.gz QTHSEVWPWKESRL-CMPLNLGQSA-N 3 1 209.337 0.636 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925779042 635268297 /nfs/dbraw/zinc/26/82/97/635268297.db2.gz LHTIXFHRMLTICK-YVECIDJPSA-N 2 1 241.379 0.613 20 0 BCADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000310171013 635293205 /nfs/dbraw/zinc/29/32/05/635293205.db2.gz PRQIJQPBFCKZPZ-OLZOCXBDSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925785997 635303322 /nfs/dbraw/zinc/30/33/22/635303322.db2.gz MWINXCOFMZOOAK-FVCCEPFGSA-N 3 1 241.379 0.199 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925786000 635303218 /nfs/dbraw/zinc/30/32/18/635303218.db2.gz MWINXCOFMZOOAK-MROQNXINSA-N 3 1 241.379 0.199 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000925798884 635340602 /nfs/dbraw/zinc/34/06/02/635340602.db2.gz XHETYROXZOKWPT-DDHJBXDOSA-N 2 1 211.353 0.701 20 0 BCADMP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000925892872 635618470 /nfs/dbraw/zinc/61/84/70/635618470.db2.gz GZALUNNJLSNEJH-JOYOIKCWSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928440027 635935658 /nfs/dbraw/zinc/93/56/58/635935658.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928440027 635935664 /nfs/dbraw/zinc/93/56/64/635935664.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928440027 635935668 /nfs/dbraw/zinc/93/56/68/635935668.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000925324243 636868722 /nfs/dbraw/zinc/86/87/22/636868722.db2.gz BNZLDTPEBXFYCQ-QWRGUYRKSA-N 2 1 242.367 0.282 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(OC)CC2)C1 ZINC000323046338 636893527 /nfs/dbraw/zinc/89/35/27/636893527.db2.gz DZFIOWQGVVJJOF-LBPRGKRZSA-N 2 1 241.379 0.944 20 0 BCADMP CON1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000323080765 636897742 /nfs/dbraw/zinc/89/77/42/636897742.db2.gz TZQKHMYKLCTZLE-GFCCVEGCSA-N 2 1 241.379 0.944 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C[NH+](C)C ZINC000926966210 636975598 /nfs/dbraw/zinc/97/55/98/636975598.db2.gz WACPCKVVRTXECW-IJLUTSLNSA-N 2 1 232.368 0.966 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C[NH+](C)C ZINC000926966211 636977785 /nfs/dbraw/zinc/97/77/85/636977785.db2.gz WACPCKVVRTXECW-QJPTWQEYSA-N 2 1 232.368 0.966 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000924707276 637014691 /nfs/dbraw/zinc/01/46/91/637014691.db2.gz TYJINHUKZNECRO-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000924707276 637014697 /nfs/dbraw/zinc/01/46/97/637014697.db2.gz TYJINHUKZNECRO-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000924707272 637014855 /nfs/dbraw/zinc/01/48/55/637014855.db2.gz TYJINHUKZNECRO-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000924707272 637014864 /nfs/dbraw/zinc/01/48/64/637014864.db2.gz TYJINHUKZNECRO-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726201 637378176 /nfs/dbraw/zinc/37/81/76/637378176.db2.gz KMPFCEJQRFIUOK-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722882 637378652 /nfs/dbraw/zinc/37/86/52/637378652.db2.gz FCKABJYDNAMZSL-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000904429474 637397933 /nfs/dbraw/zinc/39/79/33/637397933.db2.gz ITBLWIOGOHPZJV-XQQFMLRXSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000904429474 637397940 /nfs/dbraw/zinc/39/79/40/637397940.db2.gz ITBLWIOGOHPZJV-XQQFMLRXSA-N 3 1 223.364 0.942 20 0 BCADMP CCn1cnc2c1CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904433654 637400600 /nfs/dbraw/zinc/40/06/00/637400600.db2.gz OXSNTYKNBQOUJU-PHIMTYICSA-N 2 1 234.347 0.998 20 0 BCADMP C[C@@H]1C[C@H](CN[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461393 637407218 /nfs/dbraw/zinc/40/72/18/637407218.db2.gz IXIXJAKCWSOUFG-IJLUTSLNSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)C1 ZINC000904477827 637428742 /nfs/dbraw/zinc/42/87/42/637428742.db2.gz YPZWYRPXJKSIJX-WKSBVSIWSA-N 2 1 224.348 0.999 20 0 BCADMP [NH2+]=C(NCC[NH+]1CCC1)NC[C@H]1CCCS1 ZINC000905050371 637570133 /nfs/dbraw/zinc/57/01/33/637570133.db2.gz VKXYVTCJLOJCPL-SNVBAGLBSA-N 2 1 242.392 0.702 20 0 BCADMP C[C@@H]([NH3+])Cn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905059432 637593463 /nfs/dbraw/zinc/59/34/63/637593463.db2.gz QQYIVHPBGXQKSL-SECBINFHSA-N 2 1 225.340 0.856 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1Cc1nc(C2([NH3+])CC2)no1 ZINC000905328102 637760075 /nfs/dbraw/zinc/76/00/75/637760075.db2.gz VOWDIZBLWSRVKW-JGVFFNPUSA-N 2 1 222.292 0.687 20 0 BCADMP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@H+]1C ZINC000905653899 637872828 /nfs/dbraw/zinc/87/28/28/637872828.db2.gz YJNVFTGSFYHWJE-SNVBAGLBSA-N 2 1 244.408 0.106 20 0 BCADMP C[N@@H+](C[C@@H](O)CNC/C=C\Cl)C1CC1 ZINC000905707433 637890738 /nfs/dbraw/zinc/89/07/38/637890738.db2.gz JLMMIIFUGDVAPG-ODTOEKCJSA-N 2 1 218.728 0.784 20 0 BCADMP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1O ZINC000906509246 638182154 /nfs/dbraw/zinc/18/21/54/638182154.db2.gz CBMAJQMKOPMLOP-UHFFFAOYSA-N 2 1 222.288 0.980 20 0 BCADMP C[NH+](C)Cc1cnc(CN[C@H]2C[C@H]([NH3+])C2)s1 ZINC000906517609 638186781 /nfs/dbraw/zinc/18/67/81/638186781.db2.gz IRZPRWMLPHXMPV-KYZUINATSA-N 2 1 240.376 0.784 20 0 BCADMP [NH3+][C@H]1C[C@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000906518452 638188410 /nfs/dbraw/zinc/18/84/10/638188410.db2.gz NYSCIABQKLHRHG-MGCOHNPYSA-N 2 1 237.372 0.973 20 0 BCADMP C[C@@H](NC(=O)Cc1cnc[nH]1)C1=CC[N@H+](C)CC1 ZINC000907282226 638341138 /nfs/dbraw/zinc/34/11/38/638341138.db2.gz NCRMLRHWJOZVIF-SNVBAGLBSA-N 2 1 248.330 0.719 20 0 BCADMP C[C@@H](NC(=O)Cc1cnc[nH]1)C1=CC[N@@H+](C)CC1 ZINC000907282226 638341147 /nfs/dbraw/zinc/34/11/47/638341147.db2.gz NCRMLRHWJOZVIF-SNVBAGLBSA-N 2 1 248.330 0.719 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000908350596 638661945 /nfs/dbraw/zinc/66/19/45/638661945.db2.gz ZRBIDHMRCYRRSK-RYUDHWBXSA-N 2 1 249.358 0.245 20 0 BCADMP CC[N@H+]1CCCN(C(=O)CN(C)C)[C@H](C)C1 ZINC000910285899 639405109 /nfs/dbraw/zinc/40/51/09/639405109.db2.gz WUEWWILGMMPEMK-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@@H+]1CCCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000910285899 639405113 /nfs/dbraw/zinc/40/51/13/639405113.db2.gz WUEWWILGMMPEMK-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000910285899 639405120 /nfs/dbraw/zinc/40/51/20/639405120.db2.gz WUEWWILGMMPEMK-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473485 639464996 /nfs/dbraw/zinc/46/49/96/639464996.db2.gz GEWJVJUEFJHEKT-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620053 639682625 /nfs/dbraw/zinc/68/26/25/639682625.db2.gz PAKMFVOTARARCR-NXEZZACHSA-N 2 1 236.319 0.538 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000911623797 639684689 /nfs/dbraw/zinc/68/46/89/639684689.db2.gz GOCBTPWMQSILEE-GFCCVEGCSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000911654934 639709961 /nfs/dbraw/zinc/70/99/61/639709961.db2.gz DFKFLDQQWPFLFW-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674992 639715879 /nfs/dbraw/zinc/71/58/79/639715879.db2.gz ZGGXQDVMQGWLSU-NWDGAFQWSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725450 639751949 /nfs/dbraw/zinc/75/19/49/639751949.db2.gz UUOSCGQNCXCSDI-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](O)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461392 639763464 /nfs/dbraw/zinc/76/34/64/639763464.db2.gz VXCOWRSEHALIJF-VKYHIEHISA-N 2 1 242.363 0.285 20 0 BCADMP CC[NH2+]CCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000911750667 639777372 /nfs/dbraw/zinc/77/73/72/639777372.db2.gz OBZBOYAOLLCUAV-ZETCQYMHSA-N 2 1 242.348 0.502 20 0 BCADMP C[C@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761811 639801235 /nfs/dbraw/zinc/80/12/35/639801235.db2.gz IMBOSBOELRQTMR-MRVPVSSYSA-N 2 1 224.308 0.442 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786356 639804000 /nfs/dbraw/zinc/80/40/00/639804000.db2.gz AIFZQRGEVSZBDF-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H](CO)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930560005 639811225 /nfs/dbraw/zinc/81/12/25/639811225.db2.gz XWWUXUOSXGOKEV-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@@H](CO)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930560005 639811226 /nfs/dbraw/zinc/81/12/26/639811226.db2.gz XWWUXUOSXGOKEV-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930560005 639811227 /nfs/dbraw/zinc/81/12/27/639811227.db2.gz XWWUXUOSXGOKEV-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930577794 639813286 /nfs/dbraw/zinc/81/32/86/639813286.db2.gz OFOVRHAIKCACLN-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3=O)C[C@H]21 ZINC000931279944 640134033 /nfs/dbraw/zinc/13/40/33/640134033.db2.gz UQWYEAZJAZQWCH-WYUUTHIRSA-N 2 1 238.331 0.431 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3=O)C[C@H]21 ZINC000931279944 640134039 /nfs/dbraw/zinc/13/40/39/640134039.db2.gz UQWYEAZJAZQWCH-WYUUTHIRSA-N 2 1 238.331 0.431 20 0 BCADMP CNC(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350227 640168169 /nfs/dbraw/zinc/16/81/69/640168169.db2.gz WFXRWRYKNHRNIN-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP COC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431858 640199806 /nfs/dbraw/zinc/19/98/06/640199806.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 1 226.320 0.431 20 0 BCADMP CC[C@H](CO)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441447 640208800 /nfs/dbraw/zinc/20/88/00/640208800.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](CO)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441447 640208804 /nfs/dbraw/zinc/20/88/04/640208804.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](CO)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441447 640208808 /nfs/dbraw/zinc/20/88/08/640208808.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP CCNC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000151030919 640278224 /nfs/dbraw/zinc/27/82/24/640278224.db2.gz VAXGHPZMYSLDIQ-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP NC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530057 640401903 /nfs/dbraw/zinc/40/19/03/640401903.db2.gz HQOAMAULKMMTPC-LBPRGKRZSA-N 2 1 247.342 0.956 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530057 640401911 /nfs/dbraw/zinc/40/19/11/640401911.db2.gz HQOAMAULKMMTPC-LBPRGKRZSA-N 2 1 247.342 0.956 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000044649357 640445944 /nfs/dbraw/zinc/44/59/44/640445944.db2.gz UBONEIPZTRNNFV-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000044651173 640447728 /nfs/dbraw/zinc/44/77/28/640447728.db2.gz IWKFRNVTSGSZKB-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP [NH3+]CCCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726752 640461167 /nfs/dbraw/zinc/46/11/67/640461167.db2.gz QAYUKVNNXZJMGM-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CC[N@H+](CCCc1c[nH+]cn1C)CCC(N)=O ZINC000932479481 640546203 /nfs/dbraw/zinc/54/62/03/640546203.db2.gz AKIAKVQHVVACRG-UHFFFAOYSA-N 2 1 238.335 0.550 20 0 BCADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCC(N)=O ZINC000932479481 640546207 /nfs/dbraw/zinc/54/62/07/640546207.db2.gz AKIAKVQHVVACRG-UHFFFAOYSA-N 2 1 238.335 0.550 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030153878 640639298 /nfs/dbraw/zinc/63/92/98/640639298.db2.gz FPAOFUJDFFEESZ-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030153878 640639301 /nfs/dbraw/zinc/63/93/01/640639301.db2.gz FPAOFUJDFFEESZ-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000167206883 640708320 /nfs/dbraw/zinc/70/83/20/640708320.db2.gz IYBPHNLUCWMSIT-UHFFFAOYSA-N 2 1 239.363 0.587 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226330035 640747269 /nfs/dbraw/zinc/74/72/69/640747269.db2.gz QOSFJUPIPUAASI-QWRGUYRKSA-N 2 1 216.325 0.055 20 0 BCADMP CO[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732200 640754312 /nfs/dbraw/zinc/75/43/12/640754312.db2.gz MSIONPQQGXZBMB-SDDRHHMPSA-N 2 1 212.337 0.905 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933732841 640754735 /nfs/dbraw/zinc/75/47/35/640754735.db2.gz CRRGTAYDJKIIFP-MCIONIFRSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@@H]2CN(C[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000933732841 640754739 /nfs/dbraw/zinc/75/47/39/640754739.db2.gz CRRGTAYDJKIIFP-MCIONIFRSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1C[C@@H]2CN(C[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000933732841 640754746 /nfs/dbraw/zinc/75/47/46/640754746.db2.gz CRRGTAYDJKIIFP-MCIONIFRSA-N 2 1 237.391 0.964 20 0 BCADMP Cn1cc(CC[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000226429247 640764309 /nfs/dbraw/zinc/76/43/09/640764309.db2.gz FECWVYYJSRDHRM-UHFFFAOYSA-N 2 1 224.352 0.879 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000228541413 640879465 /nfs/dbraw/zinc/87/94/65/640879465.db2.gz KKQPPIOPTIUYRQ-YUSALJHKSA-N 2 1 239.363 0.713 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548089 640880858 /nfs/dbraw/zinc/88/08/58/640880858.db2.gz RDVMLUUHVAXUSF-NNYUYHANSA-N 2 1 228.336 0.053 20 0 BCADMP C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032405 711496050 /nfs/dbraw/zinc/49/60/50/711496050.db2.gz LDFZTECUQOVUFR-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032405 711496053 /nfs/dbraw/zinc/49/60/53/711496053.db2.gz LDFZTECUQOVUFR-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258091 640940168 /nfs/dbraw/zinc/94/01/68/640940168.db2.gz SIAQTAXSOSOAFQ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@@H+](CCNC(=O)c1cccc(C[NH3+])c1)C1CC1 ZINC000061992427 641013969 /nfs/dbraw/zinc/01/39/69/641013969.db2.gz XNZZWWAYMIHFOZ-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP C[N@@H+](CCOCCO)CC1CC[NH+](C)CC1 ZINC000063121333 641134946 /nfs/dbraw/zinc/13/49/46/641134946.db2.gz DHQNPJZUPUGZTR-UHFFFAOYSA-N 2 1 230.352 0.269 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000063165787 641141200 /nfs/dbraw/zinc/14/12/00/641141200.db2.gz NBTIYRLNQCDNIX-JTQLQIEISA-N 2 1 212.293 0.233 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307940714 641194506 /nfs/dbraw/zinc/19/45/06/641194506.db2.gz NHKYRKWJFFPSFR-YIZRAAEISA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697789 641404905 /nfs/dbraw/zinc/40/49/05/641404905.db2.gz VDFIXAATMBOGRJ-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](C)CC1 ZINC000913881487 641512107 /nfs/dbraw/zinc/51/21/07/641512107.db2.gz ZLMJEPHDBAVSFF-NSHDSACASA-N 2 1 240.351 0.084 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964559 641529288 /nfs/dbraw/zinc/52/92/88/641529288.db2.gz VRFQPPPAHNNAMD-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964559 641529293 /nfs/dbraw/zinc/52/92/93/641529293.db2.gz VRFQPPPAHNNAMD-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2COCCO2)CC[N@@H+]1C ZINC000929782318 641540573 /nfs/dbraw/zinc/54/05/73/641540573.db2.gz LSLKXCSTTQQJNZ-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2COCCO2)CC[N@H+]1C ZINC000929782318 641540577 /nfs/dbraw/zinc/54/05/77/641540577.db2.gz LSLKXCSTTQQJNZ-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2COCCO2)CC[NH+]1C ZINC000929782318 641540584 /nfs/dbraw/zinc/54/05/84/641540584.db2.gz LSLKXCSTTQQJNZ-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2COCCO2)CC[NH+]1C ZINC000929782318 641540588 /nfs/dbraw/zinc/54/05/88/641540588.db2.gz LSLKXCSTTQQJNZ-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929782576 641542381 /nfs/dbraw/zinc/54/23/81/641542381.db2.gz XFUZHJKVDAWVAQ-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929782576 641542387 /nfs/dbraw/zinc/54/23/87/641542387.db2.gz XFUZHJKVDAWVAQ-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929782576 641542393 /nfs/dbraw/zinc/54/23/93/641542393.db2.gz XFUZHJKVDAWVAQ-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CCCC[N@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497719 641566650 /nfs/dbraw/zinc/56/66/50/641566650.db2.gz UUDOZJHCXVSNLR-UHFFFAOYSA-N 2 1 227.352 0.573 20 0 BCADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000158917127 641658391 /nfs/dbraw/zinc/65/83/91/641658391.db2.gz UKPRKDKDCJSWAR-NSHDSACASA-N 2 1 200.326 0.940 20 0 BCADMP CCOCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768577 641738687 /nfs/dbraw/zinc/73/86/87/641738687.db2.gz VSEZSUJPWUXISU-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015705125 641882285 /nfs/dbraw/zinc/88/22/85/641882285.db2.gz IEJCNUGJEOOMCS-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015705125 641882290 /nfs/dbraw/zinc/88/22/90/641882290.db2.gz IEJCNUGJEOOMCS-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015705125 641882297 /nfs/dbraw/zinc/88/22/97/641882297.db2.gz IEJCNUGJEOOMCS-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031384660 642049248 /nfs/dbraw/zinc/04/92/48/642049248.db2.gz IKUNYDRKZXXQGS-NSHDSACASA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930000855 642140062 /nfs/dbraw/zinc/14/00/62/642140062.db2.gz SCIZLDVEADZFJO-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930000855 642140068 /nfs/dbraw/zinc/14/00/68/642140068.db2.gz SCIZLDVEADZFJO-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930000855 642140073 /nfs/dbraw/zinc/14/00/73/642140073.db2.gz SCIZLDVEADZFJO-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154798964 642255937 /nfs/dbraw/zinc/25/59/37/642255937.db2.gz HHALYYKSXOGTPW-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000307934285 642349260 /nfs/dbraw/zinc/34/92/60/642349260.db2.gz FSXWBHSWHKELPC-VGMNWLOBSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000307934285 642349264 /nfs/dbraw/zinc/34/92/64/642349264.db2.gz FSXWBHSWHKELPC-VGMNWLOBSA-N 2 1 240.269 0.969 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000067674771 642357117 /nfs/dbraw/zinc/35/71/17/642357117.db2.gz OCNLEWMAWNPQOZ-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(C)OCCO2)CC[N@@H+]1C ZINC000179573195 642726816 /nfs/dbraw/zinc/72/68/16/642726816.db2.gz AFHYWBFNUMEKCJ-QWRGUYRKSA-N 2 1 228.336 0.822 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(C)OCCO2)CC[N@H+]1C ZINC000179573195 642726825 /nfs/dbraw/zinc/72/68/25/642726825.db2.gz AFHYWBFNUMEKCJ-QWRGUYRKSA-N 2 1 228.336 0.822 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926368 642805279 /nfs/dbraw/zinc/80/52/79/642805279.db2.gz UGIDXWDXBSHFLG-MNOVXSKESA-N 2 1 243.326 0.241 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000251572149 642881541 /nfs/dbraw/zinc/88/15/41/642881541.db2.gz BXYXYMQGJFHTTF-OUAUKWLOSA-N 2 1 216.325 0.053 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010384173 642862224 /nfs/dbraw/zinc/86/22/24/642862224.db2.gz KPNNNSZZMBUWAM-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010384173 642862230 /nfs/dbraw/zinc/86/22/30/642862230.db2.gz KPNNNSZZMBUWAM-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010384173 642862231 /nfs/dbraw/zinc/86/22/31/642862231.db2.gz KPNNNSZZMBUWAM-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000069730079 642898268 /nfs/dbraw/zinc/89/82/68/642898268.db2.gz UXOUYKKBXHQDDC-JTQLQIEISA-N 2 1 212.293 0.363 20 0 BCADMP C([NH2+][C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070967461 643088481 /nfs/dbraw/zinc/08/84/81/643088481.db2.gz PCWHBXFTWOPZJW-WDEREUQCSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252955308 643147046 /nfs/dbraw/zinc/14/70/46/643147046.db2.gz RDQJXFGKNNGMEU-CJDFAXANSA-N 2 1 244.404 0.968 20 0 BCADMP C[C@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252955308 643147048 /nfs/dbraw/zinc/14/70/48/643147048.db2.gz RDQJXFGKNNGMEU-CJDFAXANSA-N 2 1 244.404 0.968 20 0 BCADMP C[C@@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252955306 643147397 /nfs/dbraw/zinc/14/73/97/643147397.db2.gz RDQJXFGKNNGMEU-BDEAWBTMSA-N 2 1 244.404 0.968 20 0 BCADMP C[C@@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252955306 643147407 /nfs/dbraw/zinc/14/74/07/643147407.db2.gz RDQJXFGKNNGMEU-BDEAWBTMSA-N 2 1 244.404 0.968 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020589952 643223417 /nfs/dbraw/zinc/22/34/17/643223417.db2.gz IMWYFKIDEAGHCO-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000082241806 643280359 /nfs/dbraw/zinc/28/03/59/643280359.db2.gz CIBLYKQFBCMEGR-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186591 643282367 /nfs/dbraw/zinc/28/23/67/643282367.db2.gz SMSVDORRQSLYLE-GFCCVEGCSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020929034 643341088 /nfs/dbraw/zinc/34/10/88/643341088.db2.gz STANTNKPTYXGFE-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560886 643342640 /nfs/dbraw/zinc/34/26/40/643342640.db2.gz VXVPXAVBBWQPRK-MNOVXSKESA-N 2 1 200.326 0.810 20 0 BCADMP CCOC[C@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000068949964 643436780 /nfs/dbraw/zinc/43/67/80/643436780.db2.gz KPGOUPHBNCWOST-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234077519 643451912 /nfs/dbraw/zinc/45/19/12/643451912.db2.gz BMVKOADSVYRUAZ-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234077519 643451919 /nfs/dbraw/zinc/45/19/19/643451919.db2.gz BMVKOADSVYRUAZ-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970712033 643509420 /nfs/dbraw/zinc/50/94/20/643509420.db2.gz KGBXZQXTUFDMOM-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP NC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050247978 643664676 /nfs/dbraw/zinc/66/46/76/643664676.db2.gz PNFVELSLKWZPNI-NSHDSACASA-N 2 1 233.315 0.566 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050247978 643664679 /nfs/dbraw/zinc/66/46/79/643664679.db2.gz PNFVELSLKWZPNI-NSHDSACASA-N 2 1 233.315 0.566 20 0 BCADMP CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998554581 643712543 /nfs/dbraw/zinc/71/25/43/643712543.db2.gz YYPNLTMOFCEKAS-HTAVTVPLSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998730863 643719255 /nfs/dbraw/zinc/71/92/55/643719255.db2.gz LDWIPRFEHBXQQK-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000922754951 644087874 /nfs/dbraw/zinc/08/78/74/644087874.db2.gz WAODJVFIKMTJNB-IJLUTSLNSA-N 2 1 230.352 0.720 20 0 BCADMP OC[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000923004474 644227126 /nfs/dbraw/zinc/22/71/26/644227126.db2.gz FDZIICJRLYUAJT-CYDGBPFRSA-N 2 1 224.348 0.974 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277107 644308955 /nfs/dbraw/zinc/30/89/55/644308955.db2.gz JIVQJBZUAVBKOK-NSHDSACASA-N 2 1 216.325 0.069 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277107 644308964 /nfs/dbraw/zinc/30/89/64/644308964.db2.gz JIVQJBZUAVBKOK-NSHDSACASA-N 2 1 216.325 0.069 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279427 644310746 /nfs/dbraw/zinc/31/07/46/644310746.db2.gz AQKBPISKKGCBNM-NXEZZACHSA-N 2 1 218.366 0.381 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279380 644311013 /nfs/dbraw/zinc/31/10/13/644311013.db2.gz MYNMGSYSEADUOL-LBPRGKRZSA-N 3 1 239.363 0.049 20 0 BCADMP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279380 644311017 /nfs/dbraw/zinc/31/10/17/644311017.db2.gz MYNMGSYSEADUOL-LBPRGKRZSA-N 2 1 239.363 0.049 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279855 644311251 /nfs/dbraw/zinc/31/12/51/644311251.db2.gz DQVNKGZDFGDJSJ-STQMWFEESA-N 2 1 244.379 0.691 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279379 644311318 /nfs/dbraw/zinc/31/13/18/644311318.db2.gz MYNMGSYSEADUOL-GFCCVEGCSA-N 3 1 239.363 0.049 20 0 BCADMP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279379 644311322 /nfs/dbraw/zinc/31/13/22/644311322.db2.gz MYNMGSYSEADUOL-GFCCVEGCSA-N 2 1 239.363 0.049 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279169 644311749 /nfs/dbraw/zinc/31/17/49/644311749.db2.gz GWWNIUQPNKRFBA-HBNTYKKESA-N 2 1 232.393 0.912 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279169 644311759 /nfs/dbraw/zinc/31/17/59/644311759.db2.gz GWWNIUQPNKRFBA-HBNTYKKESA-N 2 1 232.393 0.912 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279154 644312301 /nfs/dbraw/zinc/31/23/01/644312301.db2.gz GNOQKNNOHPDTHS-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279589 644312892 /nfs/dbraw/zinc/31/28/92/644312892.db2.gz QSPNWBTUZZMUJB-RWMBFGLXSA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279589 644312898 /nfs/dbraw/zinc/31/28/98/644312898.db2.gz QSPNWBTUZZMUJB-RWMBFGLXSA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923281783 644313968 /nfs/dbraw/zinc/31/39/68/644313968.db2.gz PPMAFFYJDWXUHF-NEPJUHHUSA-N 2 1 230.352 0.443 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923281786 644316061 /nfs/dbraw/zinc/31/60/61/644316061.db2.gz PPMAFFYJDWXUHF-VXGBXAGGSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923287808 644321221 /nfs/dbraw/zinc/32/12/21/644321221.db2.gz GOSPJJPKHKBUIV-OUAUKWLOSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923288638 644323364 /nfs/dbraw/zinc/32/33/64/644323364.db2.gz LVKXYBAYCPBRGY-MXWKQRLJSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923288638 644323372 /nfs/dbraw/zinc/32/33/72/644323372.db2.gz LVKXYBAYCPBRGY-MXWKQRLJSA-N 2 1 232.393 0.770 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923289305 644323643 /nfs/dbraw/zinc/32/36/43/644323643.db2.gz OOFSTGQNFQSLKE-RWMBFGLXSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923289305 644323638 /nfs/dbraw/zinc/32/36/38/644323638.db2.gz OOFSTGQNFQSLKE-RWMBFGLXSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289033 644323891 /nfs/dbraw/zinc/32/38/91/644323891.db2.gz CXVULIMBFJAEJP-GRYCIOLGSA-N 3 1 239.363 0.034 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289033 644323899 /nfs/dbraw/zinc/32/38/99/644323899.db2.gz CXVULIMBFJAEJP-GRYCIOLGSA-N 2 1 239.363 0.034 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288386 644324427 /nfs/dbraw/zinc/32/44/27/644324427.db2.gz JJBRQVLXUPZPDT-SRVKXCTJSA-N 2 1 230.352 0.443 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290264 644324435 /nfs/dbraw/zinc/32/44/35/644324435.db2.gz DPOCFVICNWTLNE-NSHDSACASA-N 2 1 218.341 0.301 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290663 644325511 /nfs/dbraw/zinc/32/55/11/644325511.db2.gz IRZDOLJWHPGEJF-NSHDSACASA-N 2 1 218.341 0.443 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923295339 644331428 /nfs/dbraw/zinc/33/14/28/644331428.db2.gz YANYDBIGUFZEFV-VQXHTEKXSA-N 2 1 232.393 0.912 20 0 BCADMP CC(C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300340 644334192 /nfs/dbraw/zinc/33/41/92/644334192.db2.gz FUDRZSVPOKDEPV-LLVKDONJSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCO1 ZINC000923301256 644337307 /nfs/dbraw/zinc/33/73/07/644337307.db2.gz RVVCGKNUJBIHHL-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@H]1CCCO1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301258 644337386 /nfs/dbraw/zinc/33/73/86/644337386.db2.gz RVVCGKNUJBIHHL-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302327 644338269 /nfs/dbraw/zinc/33/82/69/644338269.db2.gz VBEYVODIJYUTLX-WDEREUQCSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302327 644338277 /nfs/dbraw/zinc/33/82/77/644338277.db2.gz VBEYVODIJYUTLX-WDEREUQCSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C)CO1 ZINC000923304010 644340804 /nfs/dbraw/zinc/34/08/04/644340804.db2.gz AZKYHCPHSSMWDR-IJLUTSLNSA-N 2 1 240.347 0.474 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCOC1 ZINC000923315735 644342968 /nfs/dbraw/zinc/34/29/68/644342968.db2.gz ZBSNNMLXIQOOCR-NWDGAFQWSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317854 644343211 /nfs/dbraw/zinc/34/32/11/644343211.db2.gz WXUPQDCNZBDLFZ-WDEREUQCSA-N 2 1 228.336 0.068 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923318302 644344206 /nfs/dbraw/zinc/34/42/06/644344206.db2.gz ZAYTWCBUTVNZML-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329310 644346085 /nfs/dbraw/zinc/34/60/85/644346085.db2.gz RQGJGTIQINBVBK-MBYGNEARSA-N 2 1 244.404 0.925 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328109 644346283 /nfs/dbraw/zinc/34/62/83/644346283.db2.gz KGMDMWMPEZVAGN-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](CC1CCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308633 644347334 /nfs/dbraw/zinc/34/73/34/644347334.db2.gz GQYPYLATIJMDNZ-SRVKXCTJSA-N 2 1 212.337 0.959 20 0 BCADMP C[N@@H+](C[C@@H]1CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311655 644347721 /nfs/dbraw/zinc/34/77/21/644347721.db2.gz RPWPVZZZFDJIKD-BJDJZHNGSA-N 2 1 228.336 0.195 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309716 644347799 /nfs/dbraw/zinc/34/77/99/644347799.db2.gz ZIFLLCVQGCGBHJ-GHMZBOCLSA-N 2 1 210.321 0.707 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923332774 644353774 /nfs/dbraw/zinc/35/37/74/644353774.db2.gz NHRQUHHHSQAJLR-WUHRBBMRSA-N 2 1 242.363 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333129 644353874 /nfs/dbraw/zinc/35/38/74/644353874.db2.gz UOGKWIUEGZCPHS-OPRDCNLKSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923333738 644354175 /nfs/dbraw/zinc/35/41/75/644354175.db2.gz RYBKWALXXIDWSI-WHOHXGKFSA-N 2 1 244.404 0.770 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923333996 644354495 /nfs/dbraw/zinc/35/44/95/644354495.db2.gz FBOYKKGLOSSLFQ-MNOVXSKESA-N 2 1 232.393 0.784 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333087 644355461 /nfs/dbraw/zinc/35/54/61/644355461.db2.gz TXXSUZMVTSTHCC-TUAOUCFPSA-N 2 1 230.352 0.443 20 0 BCADMP CC[N@@H+](C[C@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336549 644357024 /nfs/dbraw/zinc/35/70/24/644357024.db2.gz UPAGZVHYKBUJSU-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331674 644360576 /nfs/dbraw/zinc/36/05/76/644360576.db2.gz MSJMQMUFIRFRBC-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358500 644367569 /nfs/dbraw/zinc/36/75/69/644367569.db2.gz HSDYPYJKFWXABZ-MXWKQRLJSA-N 2 1 230.377 0.394 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923354251 644370468 /nfs/dbraw/zinc/37/04/68/644370468.db2.gz BAQUTOMSDNEPBH-OLZOCXBDSA-N 2 1 244.379 0.691 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923353989 644370534 /nfs/dbraw/zinc/37/05/34/644370534.db2.gz PHKFCGSEGGSLII-QWHCGFSZSA-N 2 1 244.379 0.977 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352360 644370628 /nfs/dbraw/zinc/37/06/28/644370628.db2.gz DEHANCQVHGJALR-MNOVXSKESA-N 2 1 232.393 0.914 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356609 644371724 /nfs/dbraw/zinc/37/17/24/644371724.db2.gz SZVDZSMATJKDIH-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364223 644376379 /nfs/dbraw/zinc/37/63/79/644376379.db2.gz JXKLQNKVLCLTFP-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367162 644378168 /nfs/dbraw/zinc/37/81/68/644378168.db2.gz SXVQABRDZLSFTN-VXGBXAGGSA-N 2 1 244.404 0.786 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923366956 644378420 /nfs/dbraw/zinc/37/84/20/644378420.db2.gz BNKXIHIDXDGJAL-MNOVXSKESA-N 2 1 232.368 0.735 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000923366401 644378439 /nfs/dbraw/zinc/37/84/39/644378439.db2.gz MFXVGRIMTNHEHI-NEPJUHHUSA-N 2 1 242.294 0.111 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000923366401 644378449 /nfs/dbraw/zinc/37/84/49/644378449.db2.gz MFXVGRIMTNHEHI-NEPJUHHUSA-N 2 1 242.294 0.111 20 0 BCADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000923366155 644378749 /nfs/dbraw/zinc/37/87/49/644378749.db2.gz KDPOTGYNXNKENB-WDEREUQCSA-N 2 1 218.341 0.035 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368754 644381149 /nfs/dbraw/zinc/38/11/49/644381149.db2.gz SLZCTBIPPNPPSF-NWDGAFQWSA-N 2 1 246.395 0.983 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923370731 644383827 /nfs/dbraw/zinc/38/38/27/644383827.db2.gz QPNPAMYVJQNIDG-ZDEQEGDKSA-N 2 1 244.379 0.750 20 0 BCADMP CSC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923360134 644383899 /nfs/dbraw/zinc/38/38/99/644383899.db2.gz WKPUHMWCAHZRSD-UWVGGRQHSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923360134 644383900 /nfs/dbraw/zinc/38/39/00/644383900.db2.gz WKPUHMWCAHZRSD-UWVGGRQHSA-N 2 1 218.366 0.379 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362231 644385801 /nfs/dbraw/zinc/38/58/01/644385801.db2.gz MINUVCUJQCGFRU-TUAOUCFPSA-N 2 1 212.337 0.689 20 0 BCADMP CN(C)C(=O)NCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000923373593 644388478 /nfs/dbraw/zinc/38/84/78/644388478.db2.gz QLCRSNKSJBDIDX-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923373593 644388481 /nfs/dbraw/zinc/38/84/81/644388481.db2.gz QLCRSNKSJBDIDX-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923375652 644388889 /nfs/dbraw/zinc/38/88/89/644388889.db2.gz OKSHGIBMPNIYMZ-LLVKDONJSA-N 2 1 223.324 0.784 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)CCC[NH2+]C ZINC000923380028 644394503 /nfs/dbraw/zinc/39/45/03/644394503.db2.gz TXSRWQYMAKMZTR-NSHDSACASA-N 2 1 218.341 0.315 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000923384081 644396793 /nfs/dbraw/zinc/39/67/93/644396793.db2.gz RYWQORJSDXUQMI-XUXIUFHCSA-N 2 1 247.342 0.722 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386600 644398568 /nfs/dbraw/zinc/39/85/68/644398568.db2.gz PHQNPUFNHVPDKF-SNVBAGLBSA-N 2 1 218.341 0.443 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386600 644398574 /nfs/dbraw/zinc/39/85/74/644398574.db2.gz PHQNPUFNHVPDKF-SNVBAGLBSA-N 2 1 218.341 0.443 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391890 644399651 /nfs/dbraw/zinc/39/96/51/644399651.db2.gz GHGPJMXBKYQURE-UTUOFQBUSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391890 644399654 /nfs/dbraw/zinc/39/96/54/644399654.db2.gz GHGPJMXBKYQURE-UTUOFQBUSA-N 2 1 239.363 0.177 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000923395299 644401002 /nfs/dbraw/zinc/40/10/02/644401002.db2.gz RFEYBMOKVMVWEA-ZDEQEGDKSA-N 2 1 240.347 0.340 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923393860 644401514 /nfs/dbraw/zinc/40/15/14/644401514.db2.gz ZMSPXTNQZKBTRV-IJLUTSLNSA-N 2 1 238.335 0.056 20 0 BCADMP CSC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388353 644401554 /nfs/dbraw/zinc/40/15/54/644401554.db2.gz INKPXWPUKZBWRI-VWYCJHECSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388353 644401558 /nfs/dbraw/zinc/40/15/58/644401558.db2.gz INKPXWPUKZBWRI-VWYCJHECSA-N 2 1 232.393 0.770 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000923403109 644407004 /nfs/dbraw/zinc/40/70/04/644407004.db2.gz OQOZFJIIIKAZRZ-CIUDSAMLSA-N 2 1 220.263 0.568 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392660 644409339 /nfs/dbraw/zinc/40/93/39/644409339.db2.gz KQEJUPRYHFFPDT-UTUOFQBUSA-N 2 1 230.352 0.586 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426402 644419243 /nfs/dbraw/zinc/41/92/43/644419243.db2.gz CXKXINXYNQTJDK-NEPJUHHUSA-N 2 1 242.363 0.648 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000923427447 644421060 /nfs/dbraw/zinc/42/10/60/644421060.db2.gz YVUSQQITMFCEGK-SSRBZLIGSA-N 2 1 228.361 0.132 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429536 644421322 /nfs/dbraw/zinc/42/13/22/644421322.db2.gz WRQCEVGSWFYRJO-CHWSQXEVSA-N 2 1 244.379 0.956 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426405 644421397 /nfs/dbraw/zinc/42/13/97/644421397.db2.gz CXKXINXYNQTJDK-VXGBXAGGSA-N 2 1 242.363 0.648 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923429650 644422595 /nfs/dbraw/zinc/42/25/95/644422595.db2.gz ZTTZMHWAZGBGGW-QWRGUYRKSA-N 2 1 244.404 0.975 20 0 BCADMP FC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421449 644424662 /nfs/dbraw/zinc/42/46/62/644424662.db2.gz BWMYWTKPQUEQGX-QWRGUYRKSA-N 2 1 228.311 0.656 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923462590 644445857 /nfs/dbraw/zinc/44/58/57/644445857.db2.gz LQPHKBFYMAWMDY-UHFFFAOYSA-N 3 1 242.411 0.390 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869793 644451920 /nfs/dbraw/zinc/45/19/20/644451920.db2.gz QNESSSGSVFBFMD-HTAVTVPLSA-N 2 1 230.352 0.586 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480496 644458775 /nfs/dbraw/zinc/45/87/75/644458775.db2.gz HUDMPFDJRDJLRY-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483853 644459871 /nfs/dbraw/zinc/45/98/71/644459871.db2.gz FYEJZYODQQNMOZ-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000923483185 644460225 /nfs/dbraw/zinc/46/02/25/644460225.db2.gz NEUGWNJHKBMFHU-VIFPVBQESA-N 2 1 222.279 0.939 20 0 BCADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)[nH]1 ZINC000923480594 644460526 /nfs/dbraw/zinc/46/05/26/644460526.db2.gz JNYGTTAVJSGOBN-WCBMZHEXSA-N 2 1 223.324 0.845 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495134 644461122 /nfs/dbraw/zinc/46/11/22/644461122.db2.gz UECQSOLWSXOWDZ-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1C[NH3+] ZINC000923491498 644466822 /nfs/dbraw/zinc/46/68/22/644466822.db2.gz SMZBHZBEVRVGIC-NXEZZACHSA-N 2 1 208.309 0.826 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923491539 644467250 /nfs/dbraw/zinc/46/72/50/644467250.db2.gz SQUZYMMGRMRLDD-RYUDHWBXSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492265 644468225 /nfs/dbraw/zinc/46/82/25/644468225.db2.gz AZBKJUVVLPNCII-BBBLOLIVSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492265 644468226 /nfs/dbraw/zinc/46/82/26/644468226.db2.gz AZBKJUVVLPNCII-BBBLOLIVSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491438 644468337 /nfs/dbraw/zinc/46/83/37/644468337.db2.gz RWYPOZOWDSNGIU-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493157 644468698 /nfs/dbraw/zinc/46/86/98/644468698.db2.gz DWFFJVLMIJHDLW-ZJUUUORDSA-N 2 1 214.309 0.466 20 0 BCADMP CCOC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497082 644470370 /nfs/dbraw/zinc/47/03/70/644470370.db2.gz KTRJQPKCMWMCKF-UWVGGRQHSA-N 2 1 214.309 0.466 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1=O ZINC000923494334 644470402 /nfs/dbraw/zinc/47/04/02/644470402.db2.gz WUZDOHAIOPJJPE-LLVKDONJSA-N 2 1 235.331 0.556 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923499733 644472229 /nfs/dbraw/zinc/47/22/29/644472229.db2.gz LSWZLNDVKHNLGU-WCQYABFASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923498976 644474018 /nfs/dbraw/zinc/47/40/18/644474018.db2.gz JMKGHRBRNUOVJR-PWSUYJOCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000923507371 644476160 /nfs/dbraw/zinc/47/61/60/644476160.db2.gz BTFCQHUGECWZMX-KKOKHZNYSA-N 2 1 210.321 0.692 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000923515503 644480956 /nfs/dbraw/zinc/48/09/56/644480956.db2.gz XBXHDDWOULTSLG-LPWJVIDDSA-N 2 1 224.348 0.940 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515324 644481080 /nfs/dbraw/zinc/48/10/80/644481080.db2.gz QMBRGXJYFHNQBJ-DDHJBXDOSA-N 2 1 212.337 0.938 20 0 BCADMP Nc1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516282 644481451 /nfs/dbraw/zinc/48/14/51/644481451.db2.gz XYNZYHGSMGRKPN-CMPLNLGQSA-N 2 1 232.331 0.705 20 0 BCADMP Nc1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516282 644481454 /nfs/dbraw/zinc/48/14/54/644481454.db2.gz XYNZYHGSMGRKPN-CMPLNLGQSA-N 2 1 232.331 0.705 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923531448 644486932 /nfs/dbraw/zinc/48/69/32/644486932.db2.gz QHJHMUJJLNWYPL-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ncn1 ZINC000923522677 644487254 /nfs/dbraw/zinc/48/72/54/644487254.db2.gz YDKXBHFFZZDACU-NWDGAFQWSA-N 2 1 232.331 0.826 20 0 BCADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ncn1 ZINC000923522677 644487259 /nfs/dbraw/zinc/48/72/59/644487259.db2.gz YDKXBHFFZZDACU-NWDGAFQWSA-N 2 1 232.331 0.826 20 0 BCADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CCOCC[NH3+] ZINC000923556346 644500087 /nfs/dbraw/zinc/50/00/87/644500087.db2.gz WFYLPOOBMUQHFP-ZDUSSCGKSA-N 2 1 243.395 0.624 20 0 BCADMP CC(C)C[C@H]1C[N@H+](C)CCN1CCOCC[NH3+] ZINC000923556346 644500095 /nfs/dbraw/zinc/50/00/95/644500095.db2.gz WFYLPOOBMUQHFP-ZDUSSCGKSA-N 2 1 243.395 0.624 20 0 BCADMP CC(C)C[C@H]1C[N@@H+](C)CCN1CCOCC[NH3+] ZINC000923556346 644500100 /nfs/dbraw/zinc/50/01/00/644500100.db2.gz WFYLPOOBMUQHFP-ZDUSSCGKSA-N 2 1 243.395 0.624 20 0 BCADMP CC[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000244063847 644506322 /nfs/dbraw/zinc/50/63/22/644506322.db2.gz UAGJVJGLYMQQCT-UHFFFAOYSA-N 2 1 244.408 0.060 20 0 BCADMP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000089747481 644564150 /nfs/dbraw/zinc/56/41/50/644564150.db2.gz ZBYAEIIPXFZMDY-QWRGUYRKSA-N 2 1 237.347 0.339 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957657055 644746956 /nfs/dbraw/zinc/74/69/56/644746956.db2.gz VNICQKJEZRIOMZ-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250465312 644760150 /nfs/dbraw/zinc/76/01/50/644760150.db2.gz BEJWFVPVESHPKU-NWDGAFQWSA-N 2 1 230.352 0.587 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250486410 644760453 /nfs/dbraw/zinc/76/04/53/644760453.db2.gz ZDUNZHIDHANVMN-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250486410 644760458 /nfs/dbraw/zinc/76/04/58/644760458.db2.gz ZDUNZHIDHANVMN-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@H]1C[NH3+] ZINC000251730939 644818932 /nfs/dbraw/zinc/81/89/32/644818932.db2.gz KHNUPTLSQLOMSO-NEPJUHHUSA-N 2 1 222.336 0.800 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668106 644875459 /nfs/dbraw/zinc/87/54/59/644875459.db2.gz RSNXHFVXUAIZOL-WDEREUQCSA-N 2 1 240.351 0.372 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684567 644878785 /nfs/dbraw/zinc/87/87/85/644878785.db2.gz GPMVTTRRCKMRML-RYUDHWBXSA-N 2 1 232.368 0.689 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252691864 644880626 /nfs/dbraw/zinc/88/06/26/644880626.db2.gz ZGFRSMCEMZGGEI-QWRGUYRKSA-N 2 1 218.341 0.299 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414948 644905309 /nfs/dbraw/zinc/90/53/09/644905309.db2.gz YTWDGVGTCLHRAG-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252795812 644907009 /nfs/dbraw/zinc/90/70/09/644907009.db2.gz CNOGKDDKPATMHO-UWVGGRQHSA-N 2 1 227.308 0.026 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252795812 644907013 /nfs/dbraw/zinc/90/70/13/644907013.db2.gz CNOGKDDKPATMHO-UWVGGRQHSA-N 2 1 227.308 0.026 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@H]21 ZINC000252841269 644913217 /nfs/dbraw/zinc/91/32/17/644913217.db2.gz BYXUVDIVVTWQJG-DBIOUOCHSA-N 2 1 224.304 0.361 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252859044 644917262 /nfs/dbraw/zinc/91/72/62/644917262.db2.gz MFYGTWGYBQNFQJ-RNJOBUHISA-N 2 1 242.363 0.443 20 0 BCADMP CCOC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176455 644941621 /nfs/dbraw/zinc/94/16/21/644941621.db2.gz PTJMGULJJVSLQA-WDEREUQCSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176455 644941624 /nfs/dbraw/zinc/94/16/24/644941624.db2.gz PTJMGULJJVSLQA-WDEREUQCSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1O ZINC000926564410 645285742 /nfs/dbraw/zinc/28/57/42/645285742.db2.gz RMTVFQODZOXKII-CEHFSTBQSA-N 2 1 224.348 0.830 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000844187355 645315831 /nfs/dbraw/zinc/31/58/31/645315831.db2.gz GISIFHMDLBRPSI-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP CC[NH2+]CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000844188475 645316516 /nfs/dbraw/zinc/31/65/16/645316516.db2.gz UMSGIQHJFLRHTQ-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH2+]CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000844189026 645316955 /nfs/dbraw/zinc/31/69/55/645316955.db2.gz FUPJVEJSVNJPQP-UHFFFAOYSA-N 2 1 222.292 0.696 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188676 645317030 /nfs/dbraw/zinc/31/70/30/645317030.db2.gz XSSSXSMPTLDNSP-PWSUYJOCSA-N 2 1 243.326 0.146 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000844187703 645317217 /nfs/dbraw/zinc/31/72/17/645317217.db2.gz OEFVMZANOYRPLB-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(O)C1 ZINC000926768869 645414540 /nfs/dbraw/zinc/41/45/40/645414540.db2.gz FGIUZEPBBXSZNC-FMNWTUGISA-N 2 1 224.348 0.687 20 0 BCADMP CCO[C@@H]1C[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852753369 645489088 /nfs/dbraw/zinc/48/90/88/645489088.db2.gz ILWYBKWXHLAYHY-RKDXNWHRSA-N 2 1 238.278 0.521 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852753369 645489091 /nfs/dbraw/zinc/48/90/91/645489091.db2.gz ILWYBKWXHLAYHY-RKDXNWHRSA-N 2 1 238.278 0.521 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C[NH+](C)C ZINC000926960936 645499723 /nfs/dbraw/zinc/49/97/23/645499723.db2.gz HQZIVCJZCXHURN-YNEHKIRRSA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1COC[C@@H]1CC)C[NH+](C)C ZINC000926957639 645500474 /nfs/dbraw/zinc/50/04/74/645500474.db2.gz BSMDCLUFRIOFET-YNEHKIRRSA-N 2 1 244.379 0.968 20 0 BCADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488696 645520493 /nfs/dbraw/zinc/52/04/93/645520493.db2.gz VFKPCRZOIHPIDY-VXGBXAGGSA-N 2 1 223.364 0.955 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928425118 645740661 /nfs/dbraw/zinc/74/06/61/645740661.db2.gz HBSOCWRSQABMFL-HBNTYKKESA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000928437546 645741558 /nfs/dbraw/zinc/74/15/58/645741558.db2.gz XERLQUWZSVTOKA-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000928437546 645741563 /nfs/dbraw/zinc/74/15/63/645741563.db2.gz XERLQUWZSVTOKA-VHSXEESVSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000928437547 645744312 /nfs/dbraw/zinc/74/43/12/645744312.db2.gz XERLQUWZSVTOKA-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000928437547 645744318 /nfs/dbraw/zinc/74/43/18/645744318.db2.gz XERLQUWZSVTOKA-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928428233 645744477 /nfs/dbraw/zinc/74/44/77/645744477.db2.gz VUVVBODZGLHZGS-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000928430497 645748233 /nfs/dbraw/zinc/74/82/33/645748233.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@@H+]1C ZINC000928430497 645748240 /nfs/dbraw/zinc/74/82/40/645748240.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 1 248.330 0.722 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928432860 645750483 /nfs/dbraw/zinc/75/04/83/645750483.db2.gz KXCWAJAQDMTIJC-GXSJLCMTSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928432860 645750493 /nfs/dbraw/zinc/75/04/93/645750493.db2.gz KXCWAJAQDMTIJC-GXSJLCMTSA-N 2 1 236.319 0.400 20 0 BCADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436444 645759323 /nfs/dbraw/zinc/75/93/23/645759323.db2.gz GCJIPUCYEWADAZ-UTUOFQBUSA-N 2 1 241.379 0.781 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928448036 645773553 /nfs/dbraw/zinc/77/35/53/645773553.db2.gz MPPCBGIDHMGUFN-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928448036 645773557 /nfs/dbraw/zinc/77/35/57/645773557.db2.gz MPPCBGIDHMGUFN-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928448036 645773567 /nfs/dbraw/zinc/77/35/67/645773567.db2.gz MPPCBGIDHMGUFN-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928453713 645775531 /nfs/dbraw/zinc/77/55/31/645775531.db2.gz YQPZSIXBPWANFY-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2C)CCC1 ZINC000928553664 645810627 /nfs/dbraw/zinc/81/06/27/645810627.db2.gz CBCLRUIHZPAROU-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+]2C)CCC1 ZINC000928553664 645810632 /nfs/dbraw/zinc/81/06/32/645810632.db2.gz CBCLRUIHZPAROU-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](CC)CC ZINC000928562197 645819596 /nfs/dbraw/zinc/81/95/96/645819596.db2.gz GZMUWOBATYBMDS-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](CC)CC ZINC000928562197 645819601 /nfs/dbraw/zinc/81/96/01/645819601.db2.gz GZMUWOBATYBMDS-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928562362 645824395 /nfs/dbraw/zinc/82/43/95/645824395.db2.gz DEPYCFAGBWYHFC-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928562362 645824399 /nfs/dbraw/zinc/82/43/99/645824399.db2.gz DEPYCFAGBWYHFC-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562362 645824404 /nfs/dbraw/zinc/82/44/04/645824404.db2.gz DEPYCFAGBWYHFC-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562362 645824410 /nfs/dbraw/zinc/82/44/10/645824410.db2.gz DEPYCFAGBWYHFC-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924757852 646102614 /nfs/dbraw/zinc/10/26/14/646102614.db2.gz WIGQRLYJLHHOGJ-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638317 646215257 /nfs/dbraw/zinc/21/52/57/646215257.db2.gz WSDUENPIENJZPO-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638317 646215263 /nfs/dbraw/zinc/21/52/63/646215263.db2.gz WSDUENPIENJZPO-ZDUSSCGKSA-N 2 1 244.379 0.923 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925305198 646233070 /nfs/dbraw/zinc/23/30/70/646233070.db2.gz AMPVPTKXZMJOLZ-QWRGUYRKSA-N 2 1 240.351 0.036 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000925305198 646233076 /nfs/dbraw/zinc/23/30/76/646233076.db2.gz AMPVPTKXZMJOLZ-QWRGUYRKSA-N 2 1 240.351 0.036 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479549 646291729 /nfs/dbraw/zinc/29/17/29/646291729.db2.gz BVMVZOYSKJWUAC-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479552 646292946 /nfs/dbraw/zinc/29/29/46/646292946.db2.gz BVMVZOYSKJWUAC-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925481790 646295129 /nfs/dbraw/zinc/29/51/29/646295129.db2.gz KYSYOGNVSRHLAB-BHAYOYGOSA-N 2 1 238.375 0.979 20 0 BCADMP CC[NH+]1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925489048 646300501 /nfs/dbraw/zinc/30/05/01/646300501.db2.gz XDALTQKGTRPEDI-ZDUSSCGKSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000925515236 646310495 /nfs/dbraw/zinc/31/04/95/646310495.db2.gz QOQYCDZOFIHXLO-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925519622 646312304 /nfs/dbraw/zinc/31/23/04/646312304.db2.gz VAMFDMJGXCDPSA-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)N1CCOCC1 ZINC000925526681 646316819 /nfs/dbraw/zinc/31/68/19/646316819.db2.gz OJAZAOSPORAOJB-NEPJUHHUSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)C[N@H+]1C1CC1 ZINC000925543598 646324367 /nfs/dbraw/zinc/32/43/67/646324367.db2.gz VNFLTJAEJNHVBV-WOPDTQHZSA-N 2 1 239.363 0.190 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000925550558 646328680 /nfs/dbraw/zinc/32/86/80/646328680.db2.gz BNQPHIKWFMCYBY-XQQFMLRXSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553480 646329162 /nfs/dbraw/zinc/32/91/62/646329162.db2.gz SLKNMBNEYVNIBL-NQBHXWOUSA-N 2 1 239.363 0.047 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925566958 646337829 /nfs/dbraw/zinc/33/78/29/646337829.db2.gz MRABNFCORAJXKU-RWMBFGLXSA-N 2 1 242.363 0.770 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574505 646341340 /nfs/dbraw/zinc/34/13/40/646341340.db2.gz RKKJXNIOCPCPEN-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1(C)C)CC2 ZINC000925578305 646343464 /nfs/dbraw/zinc/34/34/64/646343464.db2.gz USMWMUWYBYZKKD-QWRGUYRKSA-N 2 1 249.362 0.631 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925607503 646348426 /nfs/dbraw/zinc/34/84/26/646348426.db2.gz CAHYBEOVINGGIT-MNOVXSKESA-N 2 1 228.336 0.258 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000925616020 646351328 /nfs/dbraw/zinc/35/13/28/646351328.db2.gz JYLLASILNGCRLA-NSHDSACASA-N 2 1 242.363 0.506 20 0 BCADMP OCCCSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925608586 646358324 /nfs/dbraw/zinc/35/83/24/646358324.db2.gz FPLBBHBWHYVOSN-NSHDSACASA-N 2 1 244.404 0.976 20 0 BCADMP OC[C@H]1C=C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925613171 646362447 /nfs/dbraw/zinc/36/24/47/646362447.db2.gz ARGIDDYQPKNXNT-BUWWMVEJSA-N 2 1 234.343 0.509 20 0 BCADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925618789 646365835 /nfs/dbraw/zinc/36/58/35/646365835.db2.gz JSAAYNJZFVMPEB-JHJVBQTASA-N 2 1 241.379 0.293 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925619189 646367522 /nfs/dbraw/zinc/36/75/22/646367522.db2.gz LINUQSZATFPQOH-MNOVXSKESA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000925623998 646369502 /nfs/dbraw/zinc/36/95/02/646369502.db2.gz XIIIERAOQUGDPE-NXEZZACHSA-N 2 1 235.335 0.323 20 0 BCADMP Cn1nccc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925641002 646382906 /nfs/dbraw/zinc/38/29/06/646382906.db2.gz XKAJRNJDRTYIBB-NSHDSACASA-N 2 1 222.336 0.693 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925673737 646402870 /nfs/dbraw/zinc/40/28/70/646402870.db2.gz PGDXPFNTRNJCMA-QWRGUYRKSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000925685515 646413056 /nfs/dbraw/zinc/41/30/56/646413056.db2.gz KAKXXQVDCPJRJQ-COPLHBTASA-N 2 1 247.342 0.801 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000925702529 646425040 /nfs/dbraw/zinc/42/50/40/646425040.db2.gz BBLXNYAMOXEUOO-MXWKQRLJSA-N 2 1 211.353 0.844 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000925702527 646426441 /nfs/dbraw/zinc/42/64/41/646426441.db2.gz BBLXNYAMOXEUOO-AXFHLTTASA-N 2 1 211.353 0.844 20 0 BCADMP Cn1cnc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925707466 646433306 /nfs/dbraw/zinc/43/33/06/646433306.db2.gz PXEACKHVEHSAEP-NSHDSACASA-N 2 1 249.362 0.622 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925720812 646445711 /nfs/dbraw/zinc/44/57/11/646445711.db2.gz UMRYDJPANUXSCQ-GUBZILKMSA-N 2 1 223.320 0.125 20 0 BCADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000925725585 646452736 /nfs/dbraw/zinc/45/27/36/646452736.db2.gz AUGGSVRQKIQHNQ-VLEAKVRGSA-N 2 1 209.337 0.583 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767083 646468379 /nfs/dbraw/zinc/46/83/79/646468379.db2.gz MIDIEEFMMYDYOQ-RVMXOQNASA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767081 646468952 /nfs/dbraw/zinc/46/89/52/646468952.db2.gz MIDIEEFMMYDYOQ-QNWHQSFQSA-N 2 1 242.363 0.647 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925769402 646470788 /nfs/dbraw/zinc/47/07/88/646470788.db2.gz CEAYKVSMLHQTFM-UTUOFQBUSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925797030 646486290 /nfs/dbraw/zinc/48/62/90/646486290.db2.gz SVRCGQWZYAQNKD-YVECIDJPSA-N 3 1 225.380 0.962 20 0 BCADMP CN1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1=O ZINC000925807507 646490672 /nfs/dbraw/zinc/49/06/72/646490672.db2.gz BGLGWXWZYKNDRB-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])CN(C)C ZINC000925838115 646504782 /nfs/dbraw/zinc/50/47/82/646504782.db2.gz JXJNTXNGEDBMQT-IJLUTSLNSA-N 2 1 231.384 0.669 20 0 BCADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925860462 646512152 /nfs/dbraw/zinc/51/21/52/646512152.db2.gz QVZOJLFUAZUDGM-GRYCIOLGSA-N 2 1 227.352 0.790 20 0 BCADMP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863682 646516023 /nfs/dbraw/zinc/51/60/23/646516023.db2.gz DKMNGCZBFFDFCY-WHOHXGKFSA-N 2 1 225.336 0.400 20 0 BCADMP CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925875170 646526172 /nfs/dbraw/zinc/52/61/72/646526172.db2.gz PXODFHUMQISGTG-UPJWGTAASA-N 2 1 242.363 0.912 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879356 646528692 /nfs/dbraw/zinc/52/86/92/646528692.db2.gz BWEZZPYOCJIIBO-WHOHXGKFSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926174499 646588324 /nfs/dbraw/zinc/58/83/24/646588324.db2.gz SCIVQGSGWSIJFF-NQBHXWOUSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926174499 646588327 /nfs/dbraw/zinc/58/83/27/646588327.db2.gz SCIVQGSGWSIJFF-NQBHXWOUSA-N 2 1 242.363 0.314 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000724158551 711565249 /nfs/dbraw/zinc/56/52/49/711565249.db2.gz YCOQJZMRIKSZOY-SDDRHHMPSA-N 2 1 240.347 0.617 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1OCCCO1 ZINC000393795225 711678471 /nfs/dbraw/zinc/67/84/71/711678471.db2.gz OPHDTZISUVFFAK-PHIMTYICSA-N 2 1 226.320 0.291 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720900779 711686899 /nfs/dbraw/zinc/68/68/99/711686899.db2.gz QTKCCNNRRIXYSY-GMTAPVOTSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H](CCCO)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396570605 711701830 /nfs/dbraw/zinc/70/18/30/711701830.db2.gz LCUZFPABGBVVPJ-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396611918 711702618 /nfs/dbraw/zinc/70/26/18/711702618.db2.gz KLMAAANORUNBTM-GHMZBOCLSA-N 2 1 227.352 0.631 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085445 711837519 /nfs/dbraw/zinc/83/75/19/711837519.db2.gz ZGXHTAFNRKJBLS-GRYCIOLGSA-N 2 1 230.352 0.301 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720975 711893500 /nfs/dbraw/zinc/89/35/00/711893500.db2.gz BEJWFVPVESHPKU-VXGBXAGGSA-N 2 1 230.352 0.587 20 0 BCADMP COCC(COC)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702624699 712056656 /nfs/dbraw/zinc/05/66/56/712056656.db2.gz BFZZPBOBMXZKHV-BETUJISGSA-N 2 1 242.363 0.579 20 0 BCADMP COCC(COC)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702624699 712056657 /nfs/dbraw/zinc/05/66/57/712056657.db2.gz BFZZPBOBMXZKHV-BETUJISGSA-N 2 1 242.363 0.579 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000703787378 712088525 /nfs/dbraw/zinc/08/85/25/712088525.db2.gz ZLQZUUHJEZEKNU-UHFFFAOYSA-N 2 1 242.363 0.005 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708061076 712180633 /nfs/dbraw/zinc/18/06/33/712180633.db2.gz BVACNBHYYYBLEB-IJLUTSLNSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708061076 712180636 /nfs/dbraw/zinc/18/06/36/712180636.db2.gz BVACNBHYYYBLEB-IJLUTSLNSA-N 2 1 241.379 0.674 20 0 BCADMP CC1(C)CO[C@@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000708338019 712189236 /nfs/dbraw/zinc/18/92/36/712189236.db2.gz QPODSSTYFZIEIV-VXGBXAGGSA-N 2 1 242.363 0.851 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709039207 712205793 /nfs/dbraw/zinc/20/57/93/712205793.db2.gz ZQHDGWCUTPNDES-NWDGAFQWSA-N 2 1 230.352 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709039207 712205795 /nfs/dbraw/zinc/20/57/95/712205795.db2.gz ZQHDGWCUTPNDES-NWDGAFQWSA-N 2 1 230.352 0.587 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCNC1=O ZINC000710805086 712257131 /nfs/dbraw/zinc/25/71/31/712257131.db2.gz QBSDYTIEOUUGPK-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000710993473 712273022 /nfs/dbraw/zinc/27/30/22/712273022.db2.gz IRSWHLIEDSSVJD-SNVBAGLBSA-N 2 1 216.325 0.679 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCOC1CC1 ZINC000711785140 712329917 /nfs/dbraw/zinc/32/99/17/712329917.db2.gz HEZMDQCLIKHPJN-UHFFFAOYSA-N 2 1 216.325 0.333 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378709188 712357984 /nfs/dbraw/zinc/35/79/84/712357984.db2.gz RTQWJFBTWORIPP-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378709188 712357986 /nfs/dbraw/zinc/35/79/86/712357986.db2.gz RTQWJFBTWORIPP-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674542 712440506 /nfs/dbraw/zinc/44/05/06/712440506.db2.gz UYVJRSCMEZJDLK-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712537210 712442572 /nfs/dbraw/zinc/44/25/72/712442572.db2.gz YQWQTOIYSMCXAL-SNVBAGLBSA-N 2 1 216.325 0.068 20 0 BCADMP COC[C@@H](C[N@H+]1CC[NH2+]CCC12CCC2)OC ZINC000713125514 712453458 /nfs/dbraw/zinc/45/34/58/712453458.db2.gz OKGXAPZTLFJXEP-GFCCVEGCSA-N 2 1 242.363 0.866 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714994927 712503133 /nfs/dbraw/zinc/50/31/33/712503133.db2.gz MBHFHWVIILXGOG-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)CO)CC1 ZINC000715268532 712515054 /nfs/dbraw/zinc/51/50/54/712515054.db2.gz WBSKTARZDBUWMB-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716293304 712553664 /nfs/dbraw/zinc/55/36/64/712553664.db2.gz KNSSGBNDGLHDEE-NWDGAFQWSA-N 2 1 242.363 0.587 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716293304 712553665 /nfs/dbraw/zinc/55/36/65/712553665.db2.gz KNSSGBNDGLHDEE-NWDGAFQWSA-N 2 1 242.363 0.587 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484146 712650786 /nfs/dbraw/zinc/65/07/86/712650786.db2.gz ZPNTVKWFQUGPAH-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP COCC(COC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000385007123 712707673 /nfs/dbraw/zinc/70/76/73/712707673.db2.gz WYHCNXMNTQRSTF-LBPRGKRZSA-N 2 1 228.336 0.333 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000718835608 712785052 /nfs/dbraw/zinc/78/50/52/712785052.db2.gz SPGYOUFAJJPVLZ-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000718835606 712784895 /nfs/dbraw/zinc/78/48/95/712784895.db2.gz SPGYOUFAJJPVLZ-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[C@@H](NC[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000719640695 712818599 /nfs/dbraw/zinc/81/85/99/712818599.db2.gz KYFVFYGXQDJKKD-UPJWGTAASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](C)CC1 ZINC000719783307 712824932 /nfs/dbraw/zinc/82/49/32/712824932.db2.gz SFYHMQSXVGZNRL-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000720890286 712874174 /nfs/dbraw/zinc/87/41/74/712874174.db2.gz LJAIVJCLPOCLAT-RWMBFGLXSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000720890286 712874175 /nfs/dbraw/zinc/87/41/75/712874175.db2.gz LJAIVJCLPOCLAT-RWMBFGLXSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000720890286 712874176 /nfs/dbraw/zinc/87/41/76/712874176.db2.gz LJAIVJCLPOCLAT-RWMBFGLXSA-N 2 1 223.364 0.764 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720896771 712876672 /nfs/dbraw/zinc/87/66/72/712876672.db2.gz DNYZAMFRMPHSFK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040685 712888386 /nfs/dbraw/zinc/88/83/86/712888386.db2.gz WRDDXHHDJYSMPD-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040685 712888388 /nfs/dbraw/zinc/88/83/88/712888388.db2.gz WRDDXHHDJYSMPD-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380407440 712900698 /nfs/dbraw/zinc/90/06/98/712900698.db2.gz WMKOZECLPBUHET-TUAOUCFPSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380407440 712900699 /nfs/dbraw/zinc/90/06/99/712900699.db2.gz WMKOZECLPBUHET-TUAOUCFPSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380407440 712900700 /nfs/dbraw/zinc/90/07/00/712900700.db2.gz WMKOZECLPBUHET-TUAOUCFPSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380407440 712900701 /nfs/dbraw/zinc/90/07/01/712900701.db2.gz WMKOZECLPBUHET-TUAOUCFPSA-N 2 1 212.337 0.639 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)O[C@@H]1CCOC1 ZINC000724922236 710749107 /nfs/dbraw/zinc/74/91/07/710749107.db2.gz PMRQGZSFEWBJLJ-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)O[C@@H]1CCOC1 ZINC000724922236 710749112 /nfs/dbraw/zinc/74/91/12/710749112.db2.gz PMRQGZSFEWBJLJ-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724943317 710750408 /nfs/dbraw/zinc/75/04/08/710750408.db2.gz NOQNBLJUXRIGHW-LBPRGKRZSA-N 2 1 242.363 0.866 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCO[C@H]1CCOC1 ZINC000724943317 710750410 /nfs/dbraw/zinc/75/04/10/710750410.db2.gz NOQNBLJUXRIGHW-LBPRGKRZSA-N 2 1 242.363 0.866 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382068237 710773343 /nfs/dbraw/zinc/77/33/43/710773343.db2.gz RNWSOMXWKKHEDC-DCHHYWPUSA-N 2 1 210.321 0.343 20 0 BCADMP C1=CO[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000393821321 710804008 /nfs/dbraw/zinc/80/40/08/710804008.db2.gz KYEDBGWKYYWGBX-TUAOUCFPSA-N 2 1 208.305 0.830 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000396712228 710907606 /nfs/dbraw/zinc/90/76/06/710907606.db2.gz RKZCMPARKWEFDQ-XWLWVQCSSA-N 2 1 212.337 0.876 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396682998 710907743 /nfs/dbraw/zinc/90/77/43/710907743.db2.gz WTNSOKXTQHACBE-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754669 710974101 /nfs/dbraw/zinc/97/41/01/710974101.db2.gz MDIZQZCQHHCUSN-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754669 710974106 /nfs/dbraw/zinc/97/41/06/710974106.db2.gz MDIZQZCQHHCUSN-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383360210 710980704 /nfs/dbraw/zinc/98/07/04/710980704.db2.gz WGOSZRAAVYSPSL-MEBFFEOJSA-N 2 1 237.391 0.913 20 0 BCADMP CC(C)C[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383587909 710982941 /nfs/dbraw/zinc/98/29/41/710982941.db2.gz NGYSLWNQTLOVRS-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383587909 710982943 /nfs/dbraw/zinc/98/29/43/710982943.db2.gz NGYSLWNQTLOVRS-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384910207 710999600 /nfs/dbraw/zinc/99/96/00/710999600.db2.gz DEEOMFLBUPLJHR-NXEZZACHSA-N 2 1 216.325 0.317 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CO)CC1 ZINC000389438241 711077999 /nfs/dbraw/zinc/07/79/99/711077999.db2.gz FMUNVLQDMKPODL-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(F)F ZINC000389953141 711099700 /nfs/dbraw/zinc/09/97/00/711099700.db2.gz YETARJAIMZVJCT-SFYZADRCSA-N 2 1 210.268 0.984 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390534646 711124368 /nfs/dbraw/zinc/12/43/68/711124368.db2.gz JTOPBZDNRNYUEG-WISYIIOYSA-N 3 1 211.353 0.925 20 0 BCADMP CC1(C)CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390617164 711129345 /nfs/dbraw/zinc/12/93/45/711129345.db2.gz HGQKWFIPOQLJOT-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP CC1(C)C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390617164 711129348 /nfs/dbraw/zinc/12/93/48/711129348.db2.gz HGQKWFIPOQLJOT-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP Cc1cc(NCC2=CC[N@@H+](C)CC2)nc(N)[nH+]1 ZINC000392820969 711152280 /nfs/dbraw/zinc/15/22/80/711152280.db2.gz QGKIECXHDSAABH-UHFFFAOYSA-N 2 1 233.319 0.293 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000395384836 711209960 /nfs/dbraw/zinc/20/99/60/711209960.db2.gz MQSDBWXYQXMQPS-NSHDSACASA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000396612473 711361264 /nfs/dbraw/zinc/36/12/64/711361264.db2.gz FDSFUACJDMPJAN-IUCAKERBSA-N 2 1 213.325 0.228 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396666813 711361431 /nfs/dbraw/zinc/36/14/31/711361431.db2.gz PCRSFZRZUOLOBK-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000396537672 711353306 /nfs/dbraw/zinc/35/33/06/711353306.db2.gz BAESQIMSDHCSRV-DLOVCJGASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000396575728 711355551 /nfs/dbraw/zinc/35/55/51/711355551.db2.gz CGVXGBGBNDYMMC-USZNOCQGSA-N 2 1 212.337 0.878 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396582795 711356421 /nfs/dbraw/zinc/35/64/21/711356421.db2.gz PWCFKJOYYKWWNI-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396608611 711359412 /nfs/dbraw/zinc/35/94/12/711359412.db2.gz PVPXSUDMXOEIGS-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CO ZINC000396605754 711359416 /nfs/dbraw/zinc/35/94/16/711359416.db2.gz ZCIWVSKZYFSSLH-NXEZZACHSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccnn1C ZINC000396727027 711369418 /nfs/dbraw/zinc/36/94/18/711369418.db2.gz WTLJJZRKZJOAHI-PWSUYJOCSA-N 2 1 222.336 0.693 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724564294 710742414 /nfs/dbraw/zinc/74/24/14/710742414.db2.gz VJNFHTDFTRRXRT-BJDJZHNGSA-N 2 1 226.320 0.071 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000384976798 711000954 /nfs/dbraw/zinc/00/09/54/711000954.db2.gz QCWLCBGKIFNSOW-WDEREUQCSA-N 2 1 228.336 0.189 20 0 BCADMP CN1CCC[NH+]=C1NC[C@H]1CCC[N@@H+](C)C1 ZINC000386579783 711032592 /nfs/dbraw/zinc/03/25/92/711032592.db2.gz OHKLNPMJAYLKAR-LLVKDONJSA-N 2 1 224.352 0.609 20 0 BCADMP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000389834300 711090530 /nfs/dbraw/zinc/09/05/30/711090530.db2.gz MIVRHBJSFHFWTJ-GXSJLCMTSA-N 2 1 223.324 0.422 20 0 BCADMP Cn1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000389834306 711090630 /nfs/dbraw/zinc/09/06/30/711090630.db2.gz MIVRHBJSFHFWTJ-ONGXEEELSA-N 2 1 223.324 0.422 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396721564 711367126 /nfs/dbraw/zinc/36/71/26/711367126.db2.gz UFJWACCRMWEOMW-GMTAPVOTSA-N 2 1 216.325 0.114 20 0 BCADMP COCCOCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396675442 711362490 /nfs/dbraw/zinc/36/24/90/711362490.db2.gz SQCGAVCLFMYBJR-NEPJUHHUSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000396649449 711362772 /nfs/dbraw/zinc/36/27/72/711362772.db2.gz DBVLIEKAUSOLPL-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000396649447 711362925 /nfs/dbraw/zinc/36/29/25/711362925.db2.gz DBVLIEKAUSOLPL-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NCC1=CC[N@@H+](C)CC1 ZINC000396702139 711365828 /nfs/dbraw/zinc/36/58/28/711365828.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702139 711365831 /nfs/dbraw/zinc/36/58/31/711365831.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702139 711365834 /nfs/dbraw/zinc/36/58/34/711365834.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 2 1 223.364 0.978 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396730467 711368417 /nfs/dbraw/zinc/36/84/17/711368417.db2.gz YFGUTKOZDKLYOA-MWLCHTKSSA-N 2 1 213.325 0.243 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCSCC1 ZINC000396732478 711368828 /nfs/dbraw/zinc/36/88/28/711368828.db2.gz YAUQJBQYSOKDPV-NEPJUHHUSA-N 2 1 243.420 0.765 20 0 BCADMP c1cn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000383203535 711466556 /nfs/dbraw/zinc/46/65/56/711466556.db2.gz VUBGMQYZGHRDDZ-JZRPKSSGSA-N 2 1 232.331 0.469 20 0 BCADMP C[C@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000723032403 711496417 /nfs/dbraw/zinc/49/64/17/711496417.db2.gz LDFZTECUQOVUFR-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000723032403 711496419 /nfs/dbraw/zinc/49/64/19/711496419.db2.gz LDFZTECUQOVUFR-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000723692505 711533912 /nfs/dbraw/zinc/53/39/12/711533912.db2.gz YNJQUHUPWSGRGM-JTQLQIEISA-N 2 1 208.309 0.623 20 0 BCADMP CCOC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723683672 711534251 /nfs/dbraw/zinc/53/42/51/711534251.db2.gz STYBILSSSRMVLQ-SECBINFHSA-N 2 1 200.282 0.220 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712245 711535669 /nfs/dbraw/zinc/53/56/69/711535669.db2.gz OUFCVGWMEITYIC-LLVKDONJSA-N 2 1 222.336 0.899 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000723994564 711552309 /nfs/dbraw/zinc/55/23/09/711552309.db2.gz RTRQNAQWAXEZQS-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133081367 711558649 /nfs/dbraw/zinc/55/86/49/711558649.db2.gz DKQZCWUTVYWOEY-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562481 711592584 /nfs/dbraw/zinc/59/25/84/711592584.db2.gz GYAKILAVYQDLAT-QNWHQSFQSA-N 2 1 240.347 0.461 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724660864 711606773 /nfs/dbraw/zinc/60/67/73/711606773.db2.gz UNIHAWAEJQDNEZ-RTXFEEFZSA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724915823 711627809 /nfs/dbraw/zinc/62/78/09/711627809.db2.gz RQDGQKOQJFOJLH-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724920574 711628550 /nfs/dbraw/zinc/62/85/50/711628550.db2.gz HEPDRBXSTLWMLN-JHJVBQTASA-N 2 1 242.363 0.709 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCO[C@H]1CCOC1 ZINC000724921176 711628718 /nfs/dbraw/zinc/62/87/18/711628718.db2.gz KXMWOQHPGDDYNO-UTUOFQBUSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000724942872 711632228 /nfs/dbraw/zinc/63/22/28/711632228.db2.gz IZXATCIWWFUERQ-YNEHKIRRSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000724942872 711632230 /nfs/dbraw/zinc/63/22/30/711632230.db2.gz IZXATCIWWFUERQ-YNEHKIRRSA-N 2 1 240.347 0.333 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724957233 711634490 /nfs/dbraw/zinc/63/44/90/711634490.db2.gz VITXSTSOVCRUPH-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@H]21 ZINC000385140413 711667953 /nfs/dbraw/zinc/66/79/53/711667953.db2.gz LZOVHWRHXKCDTA-MLGHIDQZSA-N 2 1 224.348 0.782 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@H]21 ZINC000385140413 711667956 /nfs/dbraw/zinc/66/79/56/711667956.db2.gz LZOVHWRHXKCDTA-MLGHIDQZSA-N 2 1 224.348 0.782 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000393728074 711676916 /nfs/dbraw/zinc/67/69/16/711676916.db2.gz JTUIPJYLPQJTJJ-HTQZYQBOSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000393728074 711676918 /nfs/dbraw/zinc/67/69/18/711676918.db2.gz JTUIPJYLPQJTJJ-HTQZYQBOSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000394953737 711691145 /nfs/dbraw/zinc/69/11/45/711691145.db2.gz OOHUSFPHENIBFQ-GXSJLCMTSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689146 711709386 /nfs/dbraw/zinc/70/93/86/711709386.db2.gz GYRKDFWETJLFGB-CHWSQXEVSA-N 3 1 240.395 0.012 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689148 711709523 /nfs/dbraw/zinc/70/95/23/711709523.db2.gz GYRKDFWETJLFGB-OLZOCXBDSA-N 3 1 240.395 0.012 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925722792 711726470 /nfs/dbraw/zinc/72/64/70/711726470.db2.gz ZDDLHJGITLJWQA-VPCRRHSYSA-N 2 1 249.358 0.193 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]C ZINC000151225104 711821390 /nfs/dbraw/zinc/82/13/90/711821390.db2.gz TXDLNXKSFHXAQA-UHFFFAOYSA-N 2 1 229.368 0.834 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735936 711832675 /nfs/dbraw/zinc/83/26/75/711832675.db2.gz ZGFRSMCEMZGGEI-WDEREUQCSA-N 2 1 218.341 0.299 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[N@H+]1C ZINC000382509501 711919279 /nfs/dbraw/zinc/91/92/79/711919279.db2.gz XNUOOYHIHAKRRA-ADEWGFFLSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH+](C)CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000700845834 712008411 /nfs/dbraw/zinc/00/84/11/712008411.db2.gz KLQGOXAPQFBHCV-UHFFFAOYSA-N 2 1 247.342 0.986 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660919 712011598 /nfs/dbraw/zinc/01/15/98/712011598.db2.gz JKYQINTUBTVIKB-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660919 712011599 /nfs/dbraw/zinc/01/15/99/712011599.db2.gz JKYQINTUBTVIKB-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660919 712011600 /nfs/dbraw/zinc/01/16/00/712011600.db2.gz JKYQINTUBTVIKB-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000702097505 712039141 /nfs/dbraw/zinc/03/91/41/712039141.db2.gz NWROSCDBXGFYKK-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP COCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125672 712039609 /nfs/dbraw/zinc/03/96/09/712039609.db2.gz OOPAXKUSPINNQV-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000702447711 712053804 /nfs/dbraw/zinc/05/38/04/712053804.db2.gz CFPDLAYOGKMVGC-XKGSQUFQSA-N 2 1 212.337 0.878 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053896 /nfs/dbraw/zinc/05/38/96/712053896.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 2 1 237.391 0.870 20 0 BCADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591443 712056532 /nfs/dbraw/zinc/05/65/32/712056532.db2.gz NQVPMQUDUIQANU-ZDUSSCGKSA-N 2 1 248.330 0.689 20 0 BCADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCCO ZINC000702672617 712059837 /nfs/dbraw/zinc/05/98/37/712059837.db2.gz ZQFJLVMVUPWINJ-QWRGUYRKSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCCCO ZINC000702672617 712059839 /nfs/dbraw/zinc/05/98/39/712059839.db2.gz ZQFJLVMVUPWINJ-QWRGUYRKSA-N 2 1 200.326 0.961 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CC[NH+](C)CC1 ZINC000703616700 712081461 /nfs/dbraw/zinc/08/14/61/712081461.db2.gz PXOIACKFTUNCQO-BETUJISGSA-N 3 1 225.380 0.997 20 0 BCADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705660748 712135084 /nfs/dbraw/zinc/13/50/84/712135084.db2.gz VLFGZEFEIHVTFU-IJLUTSLNSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@@H+]1C[C@]2(C)C[NH+](CCOCCO)C[C@]2(C)C1 ZINC000705666427 712135132 /nfs/dbraw/zinc/13/51/32/712135132.db2.gz HDKCOZAYMPDHPL-BETUJISGSA-N 2 1 242.363 0.269 20 0 BCADMP C[N@H+]1C[C@]2(C)C[NH+](CCOCCO)C[C@]2(C)C1 ZINC000705666427 712135134 /nfs/dbraw/zinc/13/51/34/712135134.db2.gz HDKCOZAYMPDHPL-BETUJISGSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+]1C[C@]2(C)C[N@H+](CCOCCO)C[C@]2(C)C1 ZINC000705666427 712135135 /nfs/dbraw/zinc/13/51/35/712135135.db2.gz HDKCOZAYMPDHPL-BETUJISGSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+]1C[C@]2(C)C[N@@H+](CCOCCO)C[C@]2(C)C1 ZINC000705666427 712135137 /nfs/dbraw/zinc/13/51/37/712135137.db2.gz HDKCOZAYMPDHPL-BETUJISGSA-N 2 1 242.363 0.269 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708063112 712173377 /nfs/dbraw/zinc/17/33/77/712173377.db2.gz HPPQFMROMVSFKI-IJLUTSLNSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708063112 712173378 /nfs/dbraw/zinc/17/33/78/712173378.db2.gz HPPQFMROMVSFKI-IJLUTSLNSA-N 2 1 241.379 0.674 20 0 BCADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060988 712179892 /nfs/dbraw/zinc/17/98/92/712179892.db2.gz AYZJHZQQONHPHK-DDHJBXDOSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893255 712202508 /nfs/dbraw/zinc/20/25/08/712202508.db2.gz JNNKIZSLIPNYKR-QJPTWQEYSA-N 2 1 230.352 0.299 20 0 BCADMP C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408062 712221450 /nfs/dbraw/zinc/22/14/50/712221450.db2.gz SAARUKWJNOCQIH-PSIUFMSWSA-N 2 1 209.337 0.563 20 0 BCADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408062 712221451 /nfs/dbraw/zinc/22/14/51/712221451.db2.gz SAARUKWJNOCQIH-PSIUFMSWSA-N 2 1 209.337 0.563 20 0 BCADMP COC[C@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000709537207 712223906 /nfs/dbraw/zinc/22/39/06/712223906.db2.gz QMYOBNLSEVYDTE-WISYIIOYSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000709537207 712223907 /nfs/dbraw/zinc/22/39/07/712223907.db2.gz QMYOBNLSEVYDTE-WISYIIOYSA-N 2 1 230.352 0.441 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCCC1)C2 ZINC000709837590 712229511 /nfs/dbraw/zinc/22/95/11/712229511.db2.gz RKBDBWZETPUHDW-SRVKXCTJSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+](C)CCCCCC[NH3+] ZINC000710751675 712256243 /nfs/dbraw/zinc/25/62/43/712256243.db2.gz VJDSALSMIZGAIN-LLVKDONJSA-N 2 1 229.368 0.914 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871627 712260865 /nfs/dbraw/zinc/26/08/65/712260865.db2.gz UYDDPGNVGBUFLM-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH+](C)CC1(O)CC[NH+](Cc2ccno2)CC1 ZINC000710662731 712265220 /nfs/dbraw/zinc/26/52/20/712265220.db2.gz CFPUCWGSVITVET-UHFFFAOYSA-N 2 1 239.319 0.563 20 0 BCADMP Cn1ccnc1[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000373107280 712284587 /nfs/dbraw/zinc/28/45/87/712284587.db2.gz RETPRQHPJMMRMI-MNOVXSKESA-N 2 1 248.330 0.488 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711310334 712293640 /nfs/dbraw/zinc/29/36/40/712293640.db2.gz JWQRVOGMDHIXAA-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711311153 712293782 /nfs/dbraw/zinc/29/37/82/712293782.db2.gz QPNNGBYEGPZELP-GHMZBOCLSA-N 2 1 239.363 0.300 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CF)C1 ZINC000711440217 712300858 /nfs/dbraw/zinc/30/08/58/712300858.db2.gz CWIGEDKNRYJUTP-SNVBAGLBSA-N 2 1 204.289 0.643 20 0 BCADMP C[N@@H+](CCOC1CC1)CCN1CC[NH2+]CC1 ZINC000711758553 712325621 /nfs/dbraw/zinc/32/56/21/712325621.db2.gz JQZNVHAVTMCIAX-UHFFFAOYSA-N 2 1 227.352 0.002 20 0 BCADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC1CC1 ZINC000711764678 712327486 /nfs/dbraw/zinc/32/74/86/712327486.db2.gz FFTWNZRGAUBVKJ-LBPRGKRZSA-N 2 1 239.363 0.145 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479758 712334229 /nfs/dbraw/zinc/33/42/29/712334229.db2.gz SLNHJRUFUWPJGT-STQMWFEESA-N 2 1 244.379 0.691 20 0 BCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479747 712334412 /nfs/dbraw/zinc/33/44/12/712334412.db2.gz CNXPJRDPLBKRCN-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480384 712335086 /nfs/dbraw/zinc/33/50/86/712335086.db2.gz XYKQPQRWWVABFH-VHSXEESVSA-N 2 1 218.366 0.381 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000712577589 712432981 /nfs/dbraw/zinc/43/29/81/712432981.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577589 712432982 /nfs/dbraw/zinc/43/29/82/712432982.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577589 712432984 /nfs/dbraw/zinc/43/29/84/712432984.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 1 241.379 0.125 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712597111 712436088 /nfs/dbraw/zinc/43/60/88/712436088.db2.gz KZIRTNDKLGGBFJ-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CN1CC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000712555856 712444984 /nfs/dbraw/zinc/44/49/84/712444984.db2.gz HZFBAKTUVLCHOC-ZDUSSCGKSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713583913 712466304 /nfs/dbraw/zinc/46/63/04/712466304.db2.gz BRIPYIYUQPHDBK-WDEREUQCSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713583913 712466306 /nfs/dbraw/zinc/46/63/06/712466306.db2.gz BRIPYIYUQPHDBK-WDEREUQCSA-N 2 1 230.352 0.443 20 0 BCADMP CCn1cc(C[NH+]2CCC(C[NH3+])CC2)nn1 ZINC000714428297 712486230 /nfs/dbraw/zinc/48/62/30/712486230.db2.gz MDKITYMXRXVFGT-UHFFFAOYSA-N 2 1 223.324 0.469 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715010026 712504046 /nfs/dbraw/zinc/50/40/46/712504046.db2.gz JWJJLOUAQSJYCH-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715402889 712517051 /nfs/dbraw/zinc/51/70/51/712517051.db2.gz NDVHGWCYXQFIFL-OLZOCXBDSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000036932760 712521420 /nfs/dbraw/zinc/52/14/20/712521420.db2.gz UUUVVNVFBKGSEC-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715492927 712523666 /nfs/dbraw/zinc/52/36/66/712523666.db2.gz AVTDXLOZUFVELS-IJLUTSLNSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715492927 712523667 /nfs/dbraw/zinc/52/36/67/712523667.db2.gz AVTDXLOZUFVELS-IJLUTSLNSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716293298 712553942 /nfs/dbraw/zinc/55/39/42/712553942.db2.gz KNSSGBNDGLHDEE-NEPJUHHUSA-N 2 1 242.363 0.587 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716293298 712553943 /nfs/dbraw/zinc/55/39/43/712553943.db2.gz KNSSGBNDGLHDEE-NEPJUHHUSA-N 2 1 242.363 0.587 20 0 BCADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1OCCCO1 ZINC000716331224 712554929 /nfs/dbraw/zinc/55/49/29/712554929.db2.gz NRFOGGVQKOHCHV-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1OCCCO1 ZINC000716331224 712554930 /nfs/dbraw/zinc/55/49/30/712554930.db2.gz NRFOGGVQKOHCHV-RYUDHWBXSA-N 2 1 240.347 0.966 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000717416372 712656712 /nfs/dbraw/zinc/65/67/12/712656712.db2.gz BCSRYHUPMREOIV-WISYIIOYSA-N 2 1 212.337 0.687 20 0 BCADMP CC1(C)[C@@H](O)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380162690 712702929 /nfs/dbraw/zinc/70/29/29/712702929.db2.gz VEXKYWJVCNJTSW-RYUDHWBXSA-N 2 1 242.363 0.288 20 0 BCADMP CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380162690 712702926 /nfs/dbraw/zinc/70/29/26/712702926.db2.gz VEXKYWJVCNJTSW-RYUDHWBXSA-N 2 1 242.363 0.288 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000384891222 712704227 /nfs/dbraw/zinc/70/42/27/712704227.db2.gz YFGQFOJTPZQPNT-WDEREUQCSA-N 2 1 230.352 0.707 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037643446 712733114 /nfs/dbraw/zinc/73/31/14/712733114.db2.gz MYMSAOSNQSXWPS-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719250597 712801081 /nfs/dbraw/zinc/80/10/81/712801081.db2.gz GUGYEIPNBKKJLQ-WAAKLRNESA-N 2 1 237.347 0.337 20 0 BCADMP CN1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000719253071 712801409 /nfs/dbraw/zinc/80/14/09/712801409.db2.gz MRJOJFYQSCJHRY-YOGCLGLASA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719249272 712801428 /nfs/dbraw/zinc/80/14/28/712801428.db2.gz SBELVHBFSJWNFL-FGWVZKOKSA-N 2 1 225.336 0.324 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000719343029 712804993 /nfs/dbraw/zinc/80/49/93/712804993.db2.gz BQGUDFZILFXFGN-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP C[C@@H]1[C@H](NC[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000719634346 712814689 /nfs/dbraw/zinc/81/46/89/712814689.db2.gz BLGYUSGOPPUTFS-RAIGVLPGSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000719634346 712814692 /nfs/dbraw/zinc/81/46/92/712814692.db2.gz BLGYUSGOPPUTFS-RAIGVLPGSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000719776867 712823729 /nfs/dbraw/zinc/82/37/29/712823729.db2.gz DZQKHRSPJQBYAT-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720872436 712873368 /nfs/dbraw/zinc/87/33/68/712873368.db2.gz OXUYVHYWXCLETE-RNJXMRFFSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720872436 712873367 /nfs/dbraw/zinc/87/33/67/712873367.db2.gz OXUYVHYWXCLETE-RNJXMRFFSA-N 2 1 226.242 0.436 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH3+] ZINC000720886017 712874666 /nfs/dbraw/zinc/87/46/66/712874666.db2.gz GSBVTDUHXIRHII-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903787 712875167 /nfs/dbraw/zinc/87/51/67/712875167.db2.gz VVXRJURUSZHLFI-QJPTWQEYSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900111 712875177 /nfs/dbraw/zinc/87/51/77/712875177.db2.gz OTFKHKBOYUATMO-GMTAPVOTSA-N 2 1 223.320 0.043 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901463 712876111 /nfs/dbraw/zinc/87/61/11/712876111.db2.gz SALRTASNGGPNAT-KKOKHZNYSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000390617959 488169451 /nfs/dbraw/zinc/16/94/51/488169451.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000390617959 488169457 /nfs/dbraw/zinc/16/94/57/488169457.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000390617959 488169459 /nfs/dbraw/zinc/16/94/59/488169459.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000390617959 488169466 /nfs/dbraw/zinc/16/94/66/488169466.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 2 1 230.352 0.144 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000228765583 168321332 /nfs/dbraw/zinc/32/13/32/168321332.db2.gz UJFYOUZFAOZJDT-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000228765583 168321334 /nfs/dbraw/zinc/32/13/34/168321334.db2.gz UJFYOUZFAOZJDT-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)[C@H]1CN(C(=O)NCCC[NH3+])CC[N@H+]1C ZINC000418350731 192026715 /nfs/dbraw/zinc/02/67/15/192026715.db2.gz LQBKOQBONOTNOX-LLVKDONJSA-N 2 1 242.367 0.317 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153239123 136212801 /nfs/dbraw/zinc/21/28/01/136212801.db2.gz PXVOZVYZVUQVSD-GHMZBOCLSA-N 2 1 227.352 0.535 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257762724 349483757 /nfs/dbraw/zinc/48/37/57/349483757.db2.gz YCYROSSTPFZNEZ-GFCCVEGCSA-N 2 1 227.352 0.132 20 0 BCADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772183 349483947 /nfs/dbraw/zinc/48/39/47/349483947.db2.gz DCLSZDXICGSRTG-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H](CCO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000649871063 398152926 /nfs/dbraw/zinc/15/29/26/398152926.db2.gz QREAJJGYSBSKTJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000649871063 398152931 /nfs/dbraw/zinc/15/29/31/398152931.db2.gz QREAJJGYSBSKTJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000649871063 398152936 /nfs/dbraw/zinc/15/29/36/398152936.db2.gz QREAJJGYSBSKTJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000649871063 398152940 /nfs/dbraw/zinc/15/29/40/398152940.db2.gz QREAJJGYSBSKTJ-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000649871062 398153554 /nfs/dbraw/zinc/15/35/54/398153554.db2.gz QREAJJGYSBSKTJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000649871062 398153556 /nfs/dbraw/zinc/15/35/56/398153556.db2.gz QREAJJGYSBSKTJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000649871062 398153560 /nfs/dbraw/zinc/15/35/60/398153560.db2.gz QREAJJGYSBSKTJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000649871062 398153564 /nfs/dbraw/zinc/15/35/64/398153564.db2.gz QREAJJGYSBSKTJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CCO ZINC000649869524 398155485 /nfs/dbraw/zinc/15/54/85/398155485.db2.gz GFIAXYAKPINJIO-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CCO ZINC000649869524 398155488 /nfs/dbraw/zinc/15/54/88/398155488.db2.gz GFIAXYAKPINJIO-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000422907860 398157991 /nfs/dbraw/zinc/15/79/91/398157991.db2.gz LPJAGOMVYMGPRI-YPMHNXCESA-N 2 1 236.363 0.940 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658095 136215075 /nfs/dbraw/zinc/21/50/75/136215075.db2.gz WQBHCZYUYOJEBX-MNOVXSKESA-N 2 1 227.352 0.381 20 0 BCADMP COC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061431 136216582 /nfs/dbraw/zinc/21/65/82/136216582.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061431 136216583 /nfs/dbraw/zinc/21/65/83/136216583.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061431 136216584 /nfs/dbraw/zinc/21/65/84/136216584.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 2 1 228.336 0.964 20 0 BCADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061431 136216585 /nfs/dbraw/zinc/21/65/85/136216585.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 2 1 228.336 0.964 20 0 BCADMP CC(C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000390497852 398176580 /nfs/dbraw/zinc/17/65/80/398176580.db2.gz RYTCOKSFUMJKPE-LBPRGKRZSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000390497852 398176582 /nfs/dbraw/zinc/17/65/82/398176582.db2.gz RYTCOKSFUMJKPE-LBPRGKRZSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)C(C)C ZINC000390497852 398176584 /nfs/dbraw/zinc/17/65/84/398176584.db2.gz RYTCOKSFUMJKPE-LBPRGKRZSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)C(C)C ZINC000390497852 398176586 /nfs/dbraw/zinc/17/65/86/398176586.db2.gz RYTCOKSFUMJKPE-LBPRGKRZSA-N 2 1 232.368 0.390 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649343923 398160839 /nfs/dbraw/zinc/16/08/39/398160839.db2.gz DYYJKUQZWPXAEW-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000649348350 398161360 /nfs/dbraw/zinc/16/13/60/398161360.db2.gz IRJGTILJGFOWAD-HOSYDEDBSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348369 398161548 /nfs/dbraw/zinc/16/15/48/398161548.db2.gz JHTUYAPGDSKJPT-WCQGTBRESA-N 2 1 237.347 0.337 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1C1CC1 ZINC000649348482 398162435 /nfs/dbraw/zinc/16/24/35/398162435.db2.gz MBUJQNJZNPJONZ-RPLXWKFWSA-N 2 1 249.358 0.193 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+](C)C1CC1 ZINC000576224803 365528925 /nfs/dbraw/zinc/52/89/25/365528925.db2.gz CPOXWYFGCPXWPC-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446391556 398204493 /nfs/dbraw/zinc/20/44/93/398204493.db2.gz AGLLMHYGVAPDAD-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000069724585 398213543 /nfs/dbraw/zinc/21/35/43/398213543.db2.gz FNJKOLVSBMZFQG-MNOVXSKESA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000069724585 398213544 /nfs/dbraw/zinc/21/35/44/398213544.db2.gz FNJKOLVSBMZFQG-MNOVXSKESA-N 2 1 222.336 0.979 20 0 BCADMP CN(C[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000649412601 398215178 /nfs/dbraw/zinc/21/51/78/398215178.db2.gz WWIDQCBKOCXMSE-AAEUAGOBSA-N 2 1 223.364 0.764 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000647807492 398216359 /nfs/dbraw/zinc/21/63/59/398216359.db2.gz CLCSMRMTGYHJPE-HBNTYKKESA-N 2 1 225.336 0.147 20 0 BCADMP Cn1cc(CC[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000649420006 398218565 /nfs/dbraw/zinc/21/85/65/398218565.db2.gz URPNMTCIMDGBRK-LLVKDONJSA-N 2 1 224.352 0.926 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)N1CC[NH+](C)CC1 ZINC000576373967 365581015 /nfs/dbraw/zinc/58/10/15/365581015.db2.gz OZTVLCXPIUSPPJ-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413576 398212142 /nfs/dbraw/zinc/21/21/42/398212142.db2.gz MAOGBWYDPBBYDW-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCCC[NH+](C)C ZINC000625553458 343988830 /nfs/dbraw/zinc/98/88/30/343988830.db2.gz FHZNBIQRRPQKGT-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C(C)(C)C[NH3+] ZINC000430759138 398231357 /nfs/dbraw/zinc/23/13/57/398231357.db2.gz FEKVJJUHEQYPOJ-UHFFFAOYSA-N 2 1 238.335 0.683 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252781333 136226922 /nfs/dbraw/zinc/22/69/22/136226922.db2.gz RFZVRFIVKBBBQL-AEJSXWLSSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252781333 136226923 /nfs/dbraw/zinc/22/69/23/136226923.db2.gz RFZVRFIVKBBBQL-AEJSXWLSSA-N 2 1 225.336 0.323 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000175839044 365604807 /nfs/dbraw/zinc/60/48/07/365604807.db2.gz QJSNZAMZVIVZBZ-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000175839044 365604812 /nfs/dbraw/zinc/60/48/12/365604812.db2.gz QJSNZAMZVIVZBZ-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000576475413 365605885 /nfs/dbraw/zinc/60/58/85/365605885.db2.gz CXDOKPIRPDBRGQ-AVGNSLFASA-N 2 1 243.395 0.323 20 0 BCADMP CCCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576481317 365608864 /nfs/dbraw/zinc/60/88/64/365608864.db2.gz UQGGAWDEWWEOBX-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000094024374 398244470 /nfs/dbraw/zinc/24/44/70/398244470.db2.gz PDSBBBPKPDKPBE-UHFFFAOYSA-N 2 1 241.379 0.250 20 0 BCADMP C[N@@H+](CCOCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210482 398249220 /nfs/dbraw/zinc/24/92/20/398249220.db2.gz DOAHXBLWHACUMK-FUNVUKJBSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](CCOCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210482 398249222 /nfs/dbraw/zinc/24/92/22/398249222.db2.gz DOAHXBLWHACUMK-FUNVUKJBSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](CCOCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367210482 398249226 /nfs/dbraw/zinc/24/92/26/398249226.db2.gz DOAHXBLWHACUMK-FUNVUKJBSA-N 2 1 242.363 0.552 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)CC[NH+](C)C1CC1 ZINC000576644668 365646836 /nfs/dbraw/zinc/64/68/36/365646836.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)CC[N@H+](C)C1CC1 ZINC000576644668 365646846 /nfs/dbraw/zinc/64/68/46/365646846.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)CC[N@@H+](C)C1CC1 ZINC000576644668 365646850 /nfs/dbraw/zinc/64/68/50/365646850.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)CC[NH+](C)C1CC1 ZINC000576644669 365649513 /nfs/dbraw/zinc/64/95/13/365649513.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)CC[N@H+](C)C1CC1 ZINC000576644669 365649521 /nfs/dbraw/zinc/64/95/21/365649521.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)CC[N@@H+](C)C1CC1 ZINC000576644669 365649524 /nfs/dbraw/zinc/64/95/24/365649524.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667674 /nfs/dbraw/zinc/66/76/74/365667674.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 1 244.379 0.797 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000576756044 365678359 /nfs/dbraw/zinc/67/83/59/365678359.db2.gz AUHHCKCWYSGCET-PWSUYJOCSA-N 3 1 211.353 0.703 20 0 BCADMP Cc1cc(C)n(CC[N@@H+](C)CCOCC[NH3+])n1 ZINC000386791468 398266276 /nfs/dbraw/zinc/26/62/76/398266276.db2.gz OICRNVXKLSTEMZ-UHFFFAOYSA-N 2 1 240.351 0.407 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381603475 398266485 /nfs/dbraw/zinc/26/64/85/398266485.db2.gz OVTDLFWDNXOODW-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418477198 192039916 /nfs/dbraw/zinc/03/99/16/192039916.db2.gz USUQUVHYLXNUSA-NSHDSACASA-N 2 1 240.351 0.142 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000259486193 349574884 /nfs/dbraw/zinc/57/48/84/349574884.db2.gz RUNRQWJTNNDDSE-JTQLQIEISA-N 2 1 214.309 0.610 20 0 BCADMP CCC[C@@]1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCOC1 ZINC000378841470 346842818 /nfs/dbraw/zinc/84/28/18/346842818.db2.gz PJALDXIGLNJGDW-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000335388715 136235034 /nfs/dbraw/zinc/23/50/34/136235034.db2.gz KJZGAAWFPDHKSM-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000165436586 361840146 /nfs/dbraw/zinc/84/01/46/361840146.db2.gz KEDFNDNBRSLJEN-IUCAKERBSA-N 2 1 213.325 0.180 20 0 BCADMP CN(C)C1(C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000616383959 342748104 /nfs/dbraw/zinc/74/81/04/342748104.db2.gz IZLWFJRAUXNHGC-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1([NH+](C)C)CC1 ZINC000616383959 342748105 /nfs/dbraw/zinc/74/81/05/342748105.db2.gz IZLWFJRAUXNHGC-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP CO[C@@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381860992 398280386 /nfs/dbraw/zinc/28/03/86/398280386.db2.gz WCOKKCSEDXTBGI-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381860992 398280389 /nfs/dbraw/zinc/28/03/89/398280389.db2.gz WCOKKCSEDXTBGI-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC000630003179 361885988 /nfs/dbraw/zinc/88/59/88/361885988.db2.gz FDERMNUJWNFSNR-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)C[N@@H+](C)C1CCC1 ZINC000630018587 361899887 /nfs/dbraw/zinc/89/98/87/361899887.db2.gz GEZRBMRAJOCZHD-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000418509040 192044525 /nfs/dbraw/zinc/04/45/25/192044525.db2.gz ATXJBCXALGQJGT-MXWKQRLJSA-N 2 1 242.367 0.458 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438629 398288266 /nfs/dbraw/zinc/28/82/66/398288266.db2.gz TUYJVEMXPNLSOC-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624683964 342819290 /nfs/dbraw/zinc/81/92/90/342819290.db2.gz XKVMINHQMFJBRU-LLVKDONJSA-N 2 1 221.304 0.290 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417817810 398293697 /nfs/dbraw/zinc/29/36/97/398293697.db2.gz ROOQWEVSLULDRQ-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP CCc1cc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775798 342828948 /nfs/dbraw/zinc/82/89/48/342828948.db2.gz GMFYOTHBGJBBLM-ZDUSSCGKSA-N 2 1 235.331 0.544 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417822337 398294406 /nfs/dbraw/zinc/29/44/06/398294406.db2.gz WXYATDDMMVQYJU-NSHDSACASA-N 2 1 244.383 0.612 20 0 BCADMP C[NH+](C)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000193360951 539005172 /nfs/dbraw/zinc/00/51/72/539005172.db2.gz IYMGYPYRDXTLFO-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)CC[N@H+]1C ZINC000381756939 539007239 /nfs/dbraw/zinc/00/72/39/539007239.db2.gz GGWMMLGLFQDSCO-VXGBXAGGSA-N 2 1 237.351 0.741 20 0 BCADMP C[C@@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000381034214 538994404 /nfs/dbraw/zinc/99/44/04/538994404.db2.gz AYZSKMICEWQYPT-HRDYMLBCSA-N 2 1 238.253 0.451 20 0 BCADMP C[C@@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000381034214 538994405 /nfs/dbraw/zinc/99/44/05/538994405.db2.gz AYZSKMICEWQYPT-HRDYMLBCSA-N 2 1 238.253 0.451 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000390341474 539020773 /nfs/dbraw/zinc/02/07/73/539020773.db2.gz NBBWFZDTONZFRO-RYUDHWBXSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000390341474 539020775 /nfs/dbraw/zinc/02/07/75/539020775.db2.gz NBBWFZDTONZFRO-RYUDHWBXSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000390341472 539021056 /nfs/dbraw/zinc/02/10/56/539021056.db2.gz NBBWFZDTONZFRO-NEPJUHHUSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000390341472 539021057 /nfs/dbraw/zinc/02/10/57/539021057.db2.gz NBBWFZDTONZFRO-NEPJUHHUSA-N 2 1 230.352 0.194 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C2CC2)CC1 ZINC000649498340 398296327 /nfs/dbraw/zinc/29/63/27/398296327.db2.gz HOWVKNIDYRTNAC-CYBMUJFWSA-N 2 1 223.364 0.861 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C2CC2)CC1 ZINC000649498340 398296330 /nfs/dbraw/zinc/29/63/30/398296330.db2.gz HOWVKNIDYRTNAC-CYBMUJFWSA-N 2 1 223.364 0.861 20 0 BCADMP COCC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000389848523 539018095 /nfs/dbraw/zinc/01/80/95/539018095.db2.gz REPLARGGGLEMSY-UHFFFAOYSA-N 2 1 230.377 0.802 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000035139993 342883801 /nfs/dbraw/zinc/88/38/01/342883801.db2.gz PBLJIECMOOUWDD-SECBINFHSA-N 2 1 213.325 0.323 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000351479495 136246127 /nfs/dbraw/zinc/24/61/27/136246127.db2.gz LKPZDNZHINSSRY-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cc(C)cn2)C1 ZINC000234407163 342924881 /nfs/dbraw/zinc/92/48/81/342924881.db2.gz XLAWBWZULRKRHT-LBPRGKRZSA-N 2 1 222.336 0.733 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249283 /nfs/dbraw/zinc/24/92/83/136249283.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249284 /nfs/dbraw/zinc/24/92/84/136249284.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249285 /nfs/dbraw/zinc/24/92/85/136249285.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249286 /nfs/dbraw/zinc/24/92/86/136249286.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 2 1 242.363 0.002 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000580309946 346890115 /nfs/dbraw/zinc/89/01/15/346890115.db2.gz UWBXUJHZZUWHAV-BDAKNGLRSA-N 2 1 249.305 0.203 20 0 BCADMP C[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853149 136257457 /nfs/dbraw/zinc/25/74/57/136257457.db2.gz NXANGQBZLWOOLG-MXWKQRLJSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853149 136257458 /nfs/dbraw/zinc/25/74/58/136257458.db2.gz NXANGQBZLWOOLG-MXWKQRLJSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000351849740 136257569 /nfs/dbraw/zinc/25/75/69/136257569.db2.gz HAWZFJMUTOTTTH-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000162517061 349721586 /nfs/dbraw/zinc/72/15/86/349721586.db2.gz SRBHCMIVFWRGJX-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000162517061 349721588 /nfs/dbraw/zinc/72/15/88/349721588.db2.gz SRBHCMIVFWRGJX-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000394087011 259337137 /nfs/dbraw/zinc/33/71/37/259337137.db2.gz VRMGZFLUZMBYOG-RYUDHWBXSA-N 2 1 213.369 0.914 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000262151454 536791964 /nfs/dbraw/zinc/79/19/64/536791964.db2.gz RPPVUUKJIJJHAX-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CO)C1 ZINC000309243419 259342809 /nfs/dbraw/zinc/34/28/09/259342809.db2.gz LHDDLKFHYCTJKE-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000309243419 259342814 /nfs/dbraw/zinc/34/28/14/259342814.db2.gz LHDDLKFHYCTJKE-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000309243419 259342815 /nfs/dbraw/zinc/34/28/15/259342815.db2.gz LHDDLKFHYCTJKE-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CO)C1 ZINC000309243421 259342857 /nfs/dbraw/zinc/34/28/57/259342857.db2.gz LHDDLKFHYCTJKE-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000309243421 259342862 /nfs/dbraw/zinc/34/28/62/259342862.db2.gz LHDDLKFHYCTJKE-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000309243421 259342864 /nfs/dbraw/zinc/34/28/64/259342864.db2.gz LHDDLKFHYCTJKE-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000235455139 343038392 /nfs/dbraw/zinc/03/83/92/343038392.db2.gz GIOFIMSFRWTMTO-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000235455139 343038394 /nfs/dbraw/zinc/03/83/94/343038394.db2.gz GIOFIMSFRWTMTO-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060145 343057139 /nfs/dbraw/zinc/05/71/39/343057139.db2.gz SKOYIYIJBAWIIL-LLVKDONJSA-N 2 1 214.309 0.086 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C(F)(F)F ZINC000235791678 343059689 /nfs/dbraw/zinc/05/96/89/343059689.db2.gz IYWICQANIUMWDD-QMMMGPOBSA-N 2 1 237.225 0.704 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000383813090 349792896 /nfs/dbraw/zinc/79/28/96/349792896.db2.gz VRZYXLTZWSOEPZ-STQMWFEESA-N 2 1 243.395 0.325 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181470109 259346431 /nfs/dbraw/zinc/34/64/31/259346431.db2.gz FEESBNFNPSEQTP-ZJUUUORDSA-N 2 1 241.335 0.509 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181470109 259346433 /nfs/dbraw/zinc/34/64/33/259346433.db2.gz FEESBNFNPSEQTP-ZJUUUORDSA-N 2 1 241.335 0.509 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000236711675 343108406 /nfs/dbraw/zinc/10/84/06/343108406.db2.gz JYVVSXUJPPWPQK-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]C(C)(C)c1cn(CCn2cc[nH+]c2C)nn1 ZINC000640985723 362102083 /nfs/dbraw/zinc/10/20/83/362102083.db2.gz NRKGNQQVQZOPAA-UHFFFAOYSA-N 2 1 248.334 0.938 20 0 BCADMP CCC[NH2+]CCNC(=O)c1csc(C[NH3+])n1 ZINC000236832648 343112950 /nfs/dbraw/zinc/11/29/50/343112950.db2.gz GZDJMNVIOCJLMJ-UHFFFAOYSA-N 2 1 242.348 0.331 20 0 BCADMP Cn1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000124720846 343164658 /nfs/dbraw/zinc/16/46/58/343164658.db2.gz UMHOIRHBZGHHCA-UWVGGRQHSA-N 2 1 208.309 0.780 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCOCC1 ZINC000133614990 343185381 /nfs/dbraw/zinc/18/53/81/343185381.db2.gz NBGRMQFBHCHYAC-NWDGAFQWSA-N 2 1 227.352 0.130 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000379925570 365737374 /nfs/dbraw/zinc/73/73/74/365737374.db2.gz UBNYCNBQHJGGRT-NSHDSACASA-N 2 1 232.393 0.738 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000379925570 365737377 /nfs/dbraw/zinc/73/73/77/365737377.db2.gz UBNYCNBQHJGGRT-NSHDSACASA-N 2 1 232.393 0.738 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCSCC1 ZINC000379925570 365737381 /nfs/dbraw/zinc/73/73/81/365737381.db2.gz UBNYCNBQHJGGRT-NSHDSACASA-N 2 1 232.393 0.738 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCSCC1 ZINC000379925570 365737384 /nfs/dbraw/zinc/73/73/84/365737384.db2.gz UBNYCNBQHJGGRT-NSHDSACASA-N 2 1 232.393 0.738 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126956436 343172225 /nfs/dbraw/zinc/17/22/25/343172225.db2.gz VVEHRYQCSVLVRC-KXUCPTDWSA-N 2 1 213.325 0.132 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129080526 343176048 /nfs/dbraw/zinc/17/60/48/343176048.db2.gz XPYQBTPMGIMFMN-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000163553707 343206901 /nfs/dbraw/zinc/20/69/01/343206901.db2.gz ZTRNBBWYRMZPQO-VWYCJHECSA-N 2 1 200.326 0.938 20 0 BCADMP C[NH2+]Cc1ccccc1NC(=O)C[NH+](C)C ZINC000167891755 343209346 /nfs/dbraw/zinc/20/93/46/343209346.db2.gz VNSGADINALOYOS-UHFFFAOYSA-N 2 1 221.304 0.906 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000133220983 343189606 /nfs/dbraw/zinc/18/96/06/343189606.db2.gz IDUCVUVEHVMJDV-UHFFFAOYSA-N 2 1 221.304 0.566 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000087471990 136281582 /nfs/dbraw/zinc/28/15/82/136281582.db2.gz GTFHLPITAUNHMY-VIFPVBQESA-N 2 1 202.298 0.337 20 0 BCADMP C[NH2+]CCCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000087472167 136281615 /nfs/dbraw/zinc/28/16/15/136281615.db2.gz MGBKNRQFGGENLZ-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091219 136284359 /nfs/dbraw/zinc/28/43/59/136284359.db2.gz ZCHJCGYUQQDBTN-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688111 343247581 /nfs/dbraw/zinc/24/75/81/343247581.db2.gz IMENBQSFIUQHSQ-GRYCIOLGSA-N 2 1 238.331 0.086 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000634688586 343249136 /nfs/dbraw/zinc/24/91/36/343249136.db2.gz XAZAZEZELMXZQU-NEPJUHHUSA-N 2 1 230.352 0.722 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000069665331 343288091 /nfs/dbraw/zinc/28/80/91/343288091.db2.gz CQRYEJJQJHJJFT-MWLCHTKSSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908617 343327551 /nfs/dbraw/zinc/32/75/51/343327551.db2.gz IOZAKVVUHSCGGL-DBIOUOCHSA-N 2 1 200.326 0.686 20 0 BCADMP Cc1nccn1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000348750791 136296829 /nfs/dbraw/zinc/29/68/29/136296829.db2.gz PTOJJDSSTAGJJQ-BETUJISGSA-N 2 1 234.347 0.733 20 0 BCADMP C[NH2+][C@@H](C)CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335619755 136297025 /nfs/dbraw/zinc/29/70/25/136297025.db2.gz SJHXIKQXDUKOTC-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)COCC2CC2)CC1 ZINC000037887344 343359840 /nfs/dbraw/zinc/35/98/40/343359840.db2.gz MMWZDADDHWRMML-ZDUSSCGKSA-N 2 1 242.363 0.458 20 0 BCADMP CCn1nccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401801466 343375948 /nfs/dbraw/zinc/37/59/48/343375948.db2.gz NGNWBDCIUKRPTG-UHFFFAOYSA-N 2 1 233.319 0.969 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000037154796 343336784 /nfs/dbraw/zinc/33/67/84/343336784.db2.gz MOUJCRUWMGJRIR-LLVKDONJSA-N 2 1 222.336 0.955 20 0 BCADMP C[C@@H](Cn1ccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037157184 343337349 /nfs/dbraw/zinc/33/73/49/343337349.db2.gz HLQDKCLBQXUXNU-NSHDSACASA-N 2 1 222.336 0.955 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335648361 136304391 /nfs/dbraw/zinc/30/43/91/136304391.db2.gz GDNFYBRURYNSIX-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210744 136305371 /nfs/dbraw/zinc/30/53/71/136305371.db2.gz YVQCNCRSEFLWSZ-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210744 136305372 /nfs/dbraw/zinc/30/53/72/136305372.db2.gz YVQCNCRSEFLWSZ-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP COC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876220 349806844 /nfs/dbraw/zinc/80/68/44/349806844.db2.gz GCMQOWBUMBBUOI-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084890 136322565 /nfs/dbraw/zinc/32/25/65/136322565.db2.gz ZKFCCEJRKDYNNV-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC ZINC000349142046 136324008 /nfs/dbraw/zinc/32/40/08/136324008.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000349142046 136324009 /nfs/dbraw/zinc/32/40/09/136324009.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000349142046 136324010 /nfs/dbraw/zinc/32/40/10/136324010.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238013 343399230 /nfs/dbraw/zinc/39/92/30/343399230.db2.gz IMOQUCGOQAWQFK-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238013 343399232 /nfs/dbraw/zinc/39/92/32/343399232.db2.gz IMOQUCGOQAWQFK-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP CC(C)N(C)CC[NH2+]Cc1cncn1C ZINC000082394944 343440575 /nfs/dbraw/zinc/44/05/75/343440575.db2.gz QHBAWDFLGJAKEM-UHFFFAOYSA-N 2 1 210.325 0.850 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433480 /nfs/dbraw/zinc/43/34/80/343433480.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433481 /nfs/dbraw/zinc/43/34/81/343433481.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433482 /nfs/dbraw/zinc/43/34/82/343433482.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433483 /nfs/dbraw/zinc/43/34/83/343433483.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435681 /nfs/dbraw/zinc/43/56/81/343435681.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435683 /nfs/dbraw/zinc/43/56/83/343435683.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435686 /nfs/dbraw/zinc/43/56/86/343435686.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435688 /nfs/dbraw/zinc/43/56/88/343435688.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 2 1 242.363 0.002 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594533 343450647 /nfs/dbraw/zinc/45/06/47/343450647.db2.gz AWGIISWNTDXACP-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594533 343450648 /nfs/dbraw/zinc/45/06/48/343450648.db2.gz AWGIISWNTDXACP-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP COC[C@@]1(C[NH2+]CC2CC[NH2+]CC2)CCCN1 ZINC000576992494 365745744 /nfs/dbraw/zinc/74/57/44/365745744.db2.gz QFEYUOKDSQJDEG-ZDUSSCGKSA-N 2 1 241.379 0.344 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000262671776 136374606 /nfs/dbraw/zinc/37/46/06/136374606.db2.gz OVEVWMPZLNNPSB-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000083346706 343481561 /nfs/dbraw/zinc/48/15/61/343481561.db2.gz UPDBUKBQHGEESM-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000310355281 343462110 /nfs/dbraw/zinc/46/21/10/343462110.db2.gz IEFOZWVKXOVJDM-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000310355281 343462113 /nfs/dbraw/zinc/46/21/13/343462113.db2.gz IEFOZWVKXOVJDM-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310355281 343462115 /nfs/dbraw/zinc/46/21/15/343462115.db2.gz IEFOZWVKXOVJDM-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310355281 343462118 /nfs/dbraw/zinc/46/21/18/343462118.db2.gz IEFOZWVKXOVJDM-RYUDHWBXSA-N 2 1 244.379 0.392 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941978 365756039 /nfs/dbraw/zinc/75/60/39/365756039.db2.gz ZEXVHYUWKDVWPG-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@@H]1C ZINC000310486448 343509712 /nfs/dbraw/zinc/50/97/12/343509712.db2.gz DZZIUBSZTOJVJC-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000310486448 343509714 /nfs/dbraw/zinc/50/97/14/343509714.db2.gz DZZIUBSZTOJVJC-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000310486448 343509716 /nfs/dbraw/zinc/50/97/16/343509716.db2.gz DZZIUBSZTOJVJC-RWMBFGLXSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnnn1C ZINC000577026126 365773886 /nfs/dbraw/zinc/77/38/86/365773886.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 1 237.351 0.587 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000379994566 365786494 /nfs/dbraw/zinc/78/64/94/365786494.db2.gz VGWHDOAGFVCHKJ-ZDUSSCGKSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932299 343632600 /nfs/dbraw/zinc/63/26/00/343632600.db2.gz MHILTEGARHRASF-IVZWLZJFSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379901850 343652425 /nfs/dbraw/zinc/65/24/25/343652425.db2.gz FWXUQYBPIGSVIV-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379901850 343652427 /nfs/dbraw/zinc/65/24/27/343652427.db2.gz FWXUQYBPIGSVIV-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000088050179 343698669 /nfs/dbraw/zinc/69/86/69/343698669.db2.gz VTRGBYCABCLNNV-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP Cc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C(C)C ZINC000309027611 346955375 /nfs/dbraw/zinc/95/53/75/346955375.db2.gz YZPUSDUOOMQSFC-LLVKDONJSA-N 2 1 211.309 0.893 20 0 BCADMP Cc1[nH+]ccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000309027611 346955376 /nfs/dbraw/zinc/95/53/76/346955376.db2.gz YZPUSDUOOMQSFC-LLVKDONJSA-N 2 1 211.309 0.893 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000418716278 192063918 /nfs/dbraw/zinc/06/39/18/192063918.db2.gz ZPNLXBJHWZEMLB-VWYCJHECSA-N 2 1 242.367 0.458 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544413 349849978 /nfs/dbraw/zinc/84/99/78/349849978.db2.gz XXQABRKUHWBNPB-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000126909636 343717400 /nfs/dbraw/zinc/71/74/00/343717400.db2.gz HDERSVDKSVEONN-CABZTGNLSA-N 2 1 249.314 0.173 20 0 BCADMP C[C@@H]1C[C@H](NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000624335555 343717945 /nfs/dbraw/zinc/71/79/45/343717945.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000154627505 343720997 /nfs/dbraw/zinc/72/09/97/343720997.db2.gz URJKAMSCGGJXNU-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000154627390 343721723 /nfs/dbraw/zinc/72/17/23/343721723.db2.gz URJKAMSCGGJXNU-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454452 529840124 /nfs/dbraw/zinc/84/01/24/529840124.db2.gz POMDRQPINFWHER-UWVGGRQHSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178720999 346963833 /nfs/dbraw/zinc/96/38/33/346963833.db2.gz DHKQHQDSQLTVTI-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418727009 192065464 /nfs/dbraw/zinc/06/54/64/192065464.db2.gz MBYOLPDADCNFKU-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[NH3+] ZINC000263289433 349861357 /nfs/dbraw/zinc/86/13/57/349861357.db2.gz VUBDXQQKTXDVAS-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+](C)CCSCCCN1CC[NH+](C)CC1 ZINC000130966604 344211869 /nfs/dbraw/zinc/21/18/69/344211869.db2.gz GKJWZEFFQMQAGZ-UHFFFAOYSA-N 2 1 245.436 0.919 20 0 BCADMP c1cc2c(nc[nH+]c2N2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000588897798 344198254 /nfs/dbraw/zinc/19/82/54/344198254.db2.gz MUROJOIYJAOJBQ-IUCAKERBSA-N 2 1 229.287 0.614 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000092135500 344289474 /nfs/dbraw/zinc/28/94/74/344289474.db2.gz GPOUDBXQDYUDGZ-NWDGAFQWSA-N 2 1 241.379 0.688 20 0 BCADMP CCSCC[N@@H+](C)CCOCC[NH3+] ZINC000600735242 344365083 /nfs/dbraw/zinc/36/50/83/344365083.db2.gz KYKCZUASSYMMRL-UHFFFAOYSA-N 2 1 206.355 0.647 20 0 BCADMP COC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072033 344325555 /nfs/dbraw/zinc/32/55/55/344325555.db2.gz KRAPLAYXPJAWTO-JTQLQIEISA-N 2 1 244.335 0.378 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@H+](C)CCOCC[NH3+] ZINC000600742300 344367299 /nfs/dbraw/zinc/36/72/99/344367299.db2.gz UOCSZMPLAZZLRO-SNVBAGLBSA-N 2 1 232.324 0.235 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@@H+](C)CCOCC[NH3+] ZINC000600742300 344367300 /nfs/dbraw/zinc/36/73/00/344367300.db2.gz UOCSZMPLAZZLRO-SNVBAGLBSA-N 2 1 232.324 0.235 20 0 BCADMP C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000093178711 344310304 /nfs/dbraw/zinc/31/03/04/344310304.db2.gz LBMSABPWOQZGLO-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000236770617 344403511 /nfs/dbraw/zinc/40/35/11/344403511.db2.gz SBTLYZCIMPNEOO-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[NH3+])C1 ZINC000236770649 344403862 /nfs/dbraw/zinc/40/38/62/344403862.db2.gz BKWXOQMSRNXKGZ-SNVBAGLBSA-N 2 1 213.325 0.039 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000042681163 344461689 /nfs/dbraw/zinc/46/16/89/344461689.db2.gz RVJNDTKNPUMWQK-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000042681163 344461693 /nfs/dbraw/zinc/46/16/93/344461693.db2.gz RVJNDTKNPUMWQK-JTQLQIEISA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000042681159 344461939 /nfs/dbraw/zinc/46/19/39/344461939.db2.gz QXMMWKTZIFRITA-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000042681159 344461942 /nfs/dbraw/zinc/46/19/42/344461942.db2.gz QXMMWKTZIFRITA-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP CC(C)OC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381209020 344485556 /nfs/dbraw/zinc/48/55/56/344485556.db2.gz GUXFKJSWXWHANX-QWRGUYRKSA-N 2 1 226.320 0.479 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccncc1)C1CC1 ZINC000381405001 344501729 /nfs/dbraw/zinc/50/17/29/344501729.db2.gz XHYFJVWCTCRVJC-CQSZACIVSA-N 2 1 249.358 0.669 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccncc1)C1CC1 ZINC000381405001 344501731 /nfs/dbraw/zinc/50/17/31/344501731.db2.gz XHYFJVWCTCRVJC-CQSZACIVSA-N 2 1 249.358 0.669 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641413823 362404670 /nfs/dbraw/zinc/40/46/70/362404670.db2.gz QAUWYKJPSGXBAF-WDEREUQCSA-N 2 1 242.367 0.315 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812573 344591005 /nfs/dbraw/zinc/59/10/05/344591005.db2.gz ZOSYSAXPUPXVDY-GHMZBOCLSA-N 2 1 223.320 0.045 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827005 344593726 /nfs/dbraw/zinc/59/37/26/344593726.db2.gz ZJXJNZIIODZNPF-PWSUYJOCSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625976039 344639630 /nfs/dbraw/zinc/63/96/30/344639630.db2.gz LUOMBPFZRSJAHJ-NWBUJAPZSA-N 2 1 244.379 0.701 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625976039 344639632 /nfs/dbraw/zinc/63/96/32/344639632.db2.gz LUOMBPFZRSJAHJ-NWBUJAPZSA-N 2 1 244.379 0.701 20 0 BCADMP CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000082304297 344730297 /nfs/dbraw/zinc/73/02/97/344730297.db2.gz WJRNMEMGFWZSGQ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000114335969 344685459 /nfs/dbraw/zinc/68/54/59/344685459.db2.gz PBWJETJXMSUNFD-JTQLQIEISA-N 2 1 236.319 0.900 20 0 BCADMP C[N@@H+](CCCn1ccnc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038760 344688391 /nfs/dbraw/zinc/68/83/91/344688391.db2.gz BCMZTAGEIGBQPT-PHIMTYICSA-N 2 1 236.319 0.469 20 0 BCADMP Cc1nccn1CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038827 344688630 /nfs/dbraw/zinc/68/86/30/344688630.db2.gz DPCFQLGPDNGJBX-PHIMTYICSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038827 344688632 /nfs/dbraw/zinc/68/86/32/344688632.db2.gz DPCFQLGPDNGJBX-PHIMTYICSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038827 344688633 /nfs/dbraw/zinc/68/86/33/344688633.db2.gz DPCFQLGPDNGJBX-PHIMTYICSA-N 2 1 236.319 0.387 20 0 BCADMP CC[N@H+]1CC[C@@H](NC2CN(C(C)=O)C2)[C@H](C)C1 ZINC000574171274 344693337 /nfs/dbraw/zinc/69/33/37/344693337.db2.gz LXIUJXHVNDOSQX-ZWNOBZJWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]C2CN(C(C)=O)C2)[C@H](C)C1 ZINC000574171274 344693341 /nfs/dbraw/zinc/69/33/41/344693341.db2.gz LXIUJXHVNDOSQX-ZWNOBZJWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046459 344697157 /nfs/dbraw/zinc/69/71/57/344697157.db2.gz DJXPHIPNIYKVPY-FRRDWIJNSA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046699 344697884 /nfs/dbraw/zinc/69/78/84/344697884.db2.gz OEZKZQRPGBVOGH-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046699 344697885 /nfs/dbraw/zinc/69/78/85/344697885.db2.gz OEZKZQRPGBVOGH-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046699 344697888 /nfs/dbraw/zinc/69/78/88/344697888.db2.gz OEZKZQRPGBVOGH-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046699 344697891 /nfs/dbraw/zinc/69/78/91/344697891.db2.gz OEZKZQRPGBVOGH-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP O[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000077247086 344813873 /nfs/dbraw/zinc/81/38/73/344813873.db2.gz WCWSSFWZZBNRSC-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP O[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000077247086 344813875 /nfs/dbraw/zinc/81/38/75/344813875.db2.gz WCWSSFWZZBNRSC-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761092 537866386 /nfs/dbraw/zinc/86/63/86/537866386.db2.gz GCMYQDYFMAUILC-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761092 537866391 /nfs/dbraw/zinc/86/63/91/537866391.db2.gz GCMYQDYFMAUILC-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP C[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000386623768 344962252 /nfs/dbraw/zinc/96/22/52/344962252.db2.gz YPQLMEGKRWJLMD-UWVGGRQHSA-N 2 1 227.352 0.618 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000583448483 344997442 /nfs/dbraw/zinc/99/74/42/344997442.db2.gz COGXHOPAOAEPLO-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155004809 345063090 /nfs/dbraw/zinc/06/30/90/345063090.db2.gz XPPKRQIIJMJSOW-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000634990759 345173266 /nfs/dbraw/zinc/17/32/66/345173266.db2.gz BEAQKYCQJPAQCW-ZDUSSCGKSA-N 3 1 242.411 0.054 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000634991743 345178268 /nfs/dbraw/zinc/17/82/68/345178268.db2.gz QAENKUGTNNXRAY-QJPTWQEYSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000634991743 345178269 /nfs/dbraw/zinc/17/82/69/345178269.db2.gz QAENKUGTNNXRAY-QJPTWQEYSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261858868 534988017 /nfs/dbraw/zinc/98/80/17/534988017.db2.gz SCLVOBCVOWHYPG-WCQYABFASA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000634994359 345181607 /nfs/dbraw/zinc/18/16/07/345181607.db2.gz ACOYPDBTIGAFDP-VXGBXAGGSA-N 3 1 213.369 0.807 20 0 BCADMP CC[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634994824 345182398 /nfs/dbraw/zinc/18/23/98/345182398.db2.gz NUAWKMMVKMRPLM-YECOWLKZSA-N 2 1 210.321 0.441 20 0 BCADMP CC[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634994824 345182400 /nfs/dbraw/zinc/18/24/00/345182400.db2.gz NUAWKMMVKMRPLM-YECOWLKZSA-N 2 1 210.321 0.441 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995231 345184544 /nfs/dbraw/zinc/18/45/44/345184544.db2.gz YNFUHJNBDDTBRT-STQMWFEESA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)[C@@H](C[NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995231 345184545 /nfs/dbraw/zinc/18/45/45/345184545.db2.gz YNFUHJNBDDTBRT-STQMWFEESA-N 2 1 225.380 0.903 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000634995483 345185027 /nfs/dbraw/zinc/18/50/27/345185027.db2.gz GKQYHFPLRCYZPI-VXGBXAGGSA-N 3 1 213.369 0.949 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156104177 345125235 /nfs/dbraw/zinc/12/52/35/345125235.db2.gz JVLXHWZWFXBPOR-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634951695 345127897 /nfs/dbraw/zinc/12/78/97/345127897.db2.gz DEZUMSQIVVGRDA-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156113770 345128679 /nfs/dbraw/zinc/12/86/79/345128679.db2.gz KFNZBTPDCRCACF-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634957924 345131391 /nfs/dbraw/zinc/13/13/91/345131391.db2.gz BQQNOWCWEPAVRO-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634957924 345131394 /nfs/dbraw/zinc/13/13/94/345131394.db2.gz BQQNOWCWEPAVRO-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424755 345226495 /nfs/dbraw/zinc/22/64/95/345226495.db2.gz KGMQEKAFIZDBLW-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000600964992 345196609 /nfs/dbraw/zinc/19/66/09/345196609.db2.gz BUXIDIJNOXTXKF-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000600964992 345196613 /nfs/dbraw/zinc/19/66/13/345196613.db2.gz BUXIDIJNOXTXKF-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000600964992 345196617 /nfs/dbraw/zinc/19/66/17/345196617.db2.gz BUXIDIJNOXTXKF-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000600964992 345196619 /nfs/dbraw/zinc/19/66/19/345196619.db2.gz BUXIDIJNOXTXKF-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP N[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003165 345205724 /nfs/dbraw/zinc/20/57/24/345205724.db2.gz AFHFFIILBQQHJO-FIQHERPVSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)C1C[NH2+]C1 ZINC000635013680 345218146 /nfs/dbraw/zinc/21/81/46/345218146.db2.gz UXQKFIAWSQCCIO-ONGXEEELSA-N 2 1 220.320 0.916 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000381323838 345322599 /nfs/dbraw/zinc/32/25/99/345322599.db2.gz PZJBQIPYVIVSOM-ZCFIWIBFSA-N 2 1 228.321 0.069 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+](C)C ZINC000635328520 345309810 /nfs/dbraw/zinc/30/98/10/345309810.db2.gz PCMYYCNBNCVSCB-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158528511 345345605 /nfs/dbraw/zinc/34/56/05/345345605.db2.gz QJVHVQVYVNJXBH-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP Cn1ncnc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158948675 345391046 /nfs/dbraw/zinc/39/10/46/345391046.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 1 249.362 0.731 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248447982 345389587 /nfs/dbraw/zinc/38/95/87/345389587.db2.gz DLJZROFGXAQEDX-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635479481 345389643 /nfs/dbraw/zinc/38/96/43/345389643.db2.gz IUFGHPSDVPTTTF-GHMZBOCLSA-N 2 1 229.368 0.783 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635479482 345389697 /nfs/dbraw/zinc/38/96/97/345389697.db2.gz IUFGHPSDVPTTTF-WDEREUQCSA-N 2 1 229.368 0.783 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134472525 345413406 /nfs/dbraw/zinc/41/34/06/345413406.db2.gz SNIOFODDCWHTOC-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH3+] ZINC000082241799 345497720 /nfs/dbraw/zinc/49/77/20/345497720.db2.gz OCBZIPAUXZMTJA-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCC[NH3+] ZINC000082241813 345497734 /nfs/dbraw/zinc/49/77/34/345497734.db2.gz ICNPOXFGNCBOPZ-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(CO)COC1 ZINC000089128032 345548089 /nfs/dbraw/zinc/54/80/89/345548089.db2.gz OKWMFHLNDNWBGT-GFCCVEGCSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(CO)COC1 ZINC000089128032 345548091 /nfs/dbraw/zinc/54/80/91/345548091.db2.gz OKWMFHLNDNWBGT-GFCCVEGCSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(CO)COC1 ZINC000089128032 345548092 /nfs/dbraw/zinc/54/80/92/345548092.db2.gz OKWMFHLNDNWBGT-GFCCVEGCSA-N 2 1 242.363 0.269 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262842034 535000246 /nfs/dbraw/zinc/00/02/46/535000246.db2.gz JAWKHVDMRDSCLH-GHMZBOCLSA-N 2 1 227.352 0.583 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000563116084 323093453 /nfs/dbraw/zinc/09/34/53/323093453.db2.gz XWNNCOMKAFJHEN-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000111824820 345690700 /nfs/dbraw/zinc/69/07/00/345690700.db2.gz KVYQHBMRYZEAES-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000111824820 345690704 /nfs/dbraw/zinc/69/07/04/345690704.db2.gz KVYQHBMRYZEAES-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000111824817 345691053 /nfs/dbraw/zinc/69/10/53/345691053.db2.gz KVYQHBMRYZEAES-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000111824817 345691054 /nfs/dbraw/zinc/69/10/54/345691054.db2.gz KVYQHBMRYZEAES-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559550 345760168 /nfs/dbraw/zinc/76/01/68/345760168.db2.gz TWTIINYJDPEKGC-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635557638 345718938 /nfs/dbraw/zinc/71/89/38/345718938.db2.gz AYYZKEKIDVKMGL-GMTAPVOTSA-N 2 1 248.330 0.724 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC[C@H]1CCCO1 ZINC000563152448 323095775 /nfs/dbraw/zinc/09/57/75/323095775.db2.gz ZUGARRMYLRFVDK-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635605978 345889881 /nfs/dbraw/zinc/88/98/81/345889881.db2.gz GHEKWEWLIBUUKE-GMTAPVOTSA-N 2 1 227.352 0.535 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625468 345899253 /nfs/dbraw/zinc/89/92/53/345899253.db2.gz BUFRFAXMVHZXLK-VXGBXAGGSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000635677444 345974433 /nfs/dbraw/zinc/97/44/33/345974433.db2.gz SKSUMVOXBFYTAB-CKYFFXLPSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000635677453 345974683 /nfs/dbraw/zinc/97/46/83/345974683.db2.gz SKSUMVOXBFYTAB-UMNHJUIQSA-N 2 1 239.363 0.535 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)O ZINC000571040051 323104527 /nfs/dbraw/zinc/10/45/27/323104527.db2.gz QIOHWYNSXMKKAB-UWVGGRQHSA-N 2 1 211.309 0.798 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635749215 346047910 /nfs/dbraw/zinc/04/79/10/346047910.db2.gz DYPXJRJTGKGGEX-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000635786049 346068939 /nfs/dbraw/zinc/06/89/39/346068939.db2.gz GCYLUHOJUNQZJR-WDEREUQCSA-N 2 1 239.363 0.703 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000338431639 323104939 /nfs/dbraw/zinc/10/49/39/323104939.db2.gz RZWFQYRUXMKSNY-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)C1C[NH2+]C1 ZINC000571043946 323105101 /nfs/dbraw/zinc/10/51/01/323105101.db2.gz GOXMBVHKVULHAB-JTQLQIEISA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635928443 346111017 /nfs/dbraw/zinc/11/10/17/346111017.db2.gz GLEBCSQXDXPQPC-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635944678 346118909 /nfs/dbraw/zinc/11/89/09/346118909.db2.gz LLTQOYIIQWYDGK-GHMZBOCLSA-N 2 1 229.368 0.781 20 0 BCADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ncc[nH]1 ZINC000635952071 346121814 /nfs/dbraw/zinc/12/18/14/346121814.db2.gz MELIEULAMIGXCR-ZJUUUORDSA-N 2 1 236.319 0.929 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635940483 346124521 /nfs/dbraw/zinc/12/45/21/346124521.db2.gz LLTQOYIIQWYDGK-WDEREUQCSA-N 2 1 229.368 0.781 20 0 BCADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000635975333 346130085 /nfs/dbraw/zinc/13/00/85/346130085.db2.gz XDYJGOLORQPJSJ-DGCLKSJQSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]cc1Cl ZINC000394777178 323108750 /nfs/dbraw/zinc/10/87/50/323108750.db2.gz XNMUSLAQIQPEBH-SECBINFHSA-N 2 1 240.738 0.472 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000628253591 346230336 /nfs/dbraw/zinc/23/03/36/346230336.db2.gz OZELVFWSTHOQSQ-RKDXNWHRSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(N)=O ZINC000628253591 346230338 /nfs/dbraw/zinc/23/03/38/346230338.db2.gz OZELVFWSTHOQSQ-RKDXNWHRSA-N 2 1 213.325 0.323 20 0 BCADMP Cn1ccnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729965 349953802 /nfs/dbraw/zinc/95/38/02/349953802.db2.gz VGRNWDJVIYIGJS-UHFFFAOYSA-N 2 1 222.336 0.981 20 0 BCADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000636177003 346346778 /nfs/dbraw/zinc/34/67/78/346346778.db2.gz PIOIHDSMPDKJAT-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636181078 346348744 /nfs/dbraw/zinc/34/87/44/346348744.db2.gz UIPKIEBWFOWLEG-NSHDSACASA-N 2 1 239.363 0.348 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000307957940 346350590 /nfs/dbraw/zinc/35/05/90/346350590.db2.gz SNYAFMAKJGKQJQ-VIFPVBQESA-N 2 1 240.269 0.984 20 0 BCADMP C[N@H+]1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000069732867 349954714 /nfs/dbraw/zinc/95/47/14/349954714.db2.gz XSHUKFHSUDLNBI-UHFFFAOYSA-N 2 1 213.325 0.280 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636167840 346342525 /nfs/dbraw/zinc/34/25/25/346342525.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 1 236.319 0.710 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636167840 346342529 /nfs/dbraw/zinc/34/25/29/346342529.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 1 236.319 0.710 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000641799545 362748083 /nfs/dbraw/zinc/74/80/83/362748083.db2.gz WYGGJQQJCYGFDX-WDEREUQCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000641799542 362748154 /nfs/dbraw/zinc/74/81/54/362748154.db2.gz WYGGJQQJCYGFDX-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000641799544 362748188 /nfs/dbraw/zinc/74/81/88/362748188.db2.gz WYGGJQQJCYGFDX-QWRGUYRKSA-N 2 1 222.336 0.632 20 0 BCADMP Cn1c[nH+]cc1CCN1CCCC[C@@H]1C[NH3+] ZINC000641796754 362740319 /nfs/dbraw/zinc/74/03/19/362740319.db2.gz JALKGKSQPLCIFG-LLVKDONJSA-N 2 1 222.336 0.776 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641797146 362741619 /nfs/dbraw/zinc/74/16/19/362741619.db2.gz VOPPTTMYHCULJO-NEPJUHHUSA-N 2 1 234.347 0.789 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CCc1c[nH+]cn1C ZINC000641797128 362741761 /nfs/dbraw/zinc/74/17/61/362741761.db2.gz VDHAQMYVVQOOOK-GFCCVEGCSA-N 2 1 222.336 0.646 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000053033718 346509005 /nfs/dbraw/zinc/50/90/05/346509005.db2.gz SOFQQYCBQYEHNL-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075098 346511042 /nfs/dbraw/zinc/51/10/42/346511042.db2.gz ULXXYTLNLAVZOH-LPWJVIDDSA-N 3 1 223.364 0.526 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CCc1c[nH+]cn1C ZINC000641800658 362752139 /nfs/dbraw/zinc/75/21/39/362752139.db2.gz CKFUNDOMQQIQGK-UWVGGRQHSA-N 2 1 208.309 0.384 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CCc1c[nH+]cn1C ZINC000641800661 362752272 /nfs/dbraw/zinc/75/22/72/362752272.db2.gz CKFUNDOMQQIQGK-ZJUUUORDSA-N 2 1 208.309 0.384 20 0 BCADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641804639 362761211 /nfs/dbraw/zinc/76/12/11/362761211.db2.gz ZMWVPRRAPHVGNQ-GARJFASQSA-N 2 1 239.363 0.711 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000641807467 362764721 /nfs/dbraw/zinc/76/47/21/362764721.db2.gz UHYOKXHYUMBKRQ-WDEREUQCSA-N 2 1 239.363 0.761 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641807479 362765995 /nfs/dbraw/zinc/76/59/95/362765995.db2.gz URYWQWJQTLMZFA-DCAQKATOSA-N 2 1 241.379 0.863 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542421 /nfs/dbraw/zinc/54/24/21/346542421.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542424 /nfs/dbraw/zinc/54/24/24/346542424.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542425 /nfs/dbraw/zinc/54/24/25/346542425.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542429 /nfs/dbraw/zinc/54/24/29/346542429.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542694 /nfs/dbraw/zinc/54/26/94/346542694.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542697 /nfs/dbraw/zinc/54/26/97/346542697.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542700 /nfs/dbraw/zinc/54/27/00/346542700.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542703 /nfs/dbraw/zinc/54/27/03/346542703.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(CCC[NH3+])nn1 ZINC000669380153 537984488 /nfs/dbraw/zinc/98/44/88/537984488.db2.gz RVNJVSCJHOCLDW-UHFFFAOYSA-N 2 1 211.313 0.467 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(CCC[NH3+])nn1 ZINC000669380153 537984495 /nfs/dbraw/zinc/98/44/95/537984495.db2.gz RVNJVSCJHOCLDW-UHFFFAOYSA-N 2 1 211.313 0.467 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699680 346780334 /nfs/dbraw/zinc/78/03/34/346780334.db2.gz VNZZCQQFAZKGFO-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CCc1nc(C)c(C[N@H+](C)CCOCC[NH3+])o1 ZINC000641819046 362771267 /nfs/dbraw/zinc/77/12/67/362771267.db2.gz GWQJPKIXMOACCZ-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP CCc1nc(C)c(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000641819046 362771269 /nfs/dbraw/zinc/77/12/69/362771269.db2.gz GWQJPKIXMOACCZ-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000165313143 133649523 /nfs/dbraw/zinc/64/95/23/133649523.db2.gz WBKFIERAGXUFFJ-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)no1 ZINC000641824605 362774440 /nfs/dbraw/zinc/77/44/40/362774440.db2.gz UZXUXPQZSPNMBM-UHFFFAOYSA-N 2 1 243.307 0.351 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(OC)no1 ZINC000641824605 362774442 /nfs/dbraw/zinc/77/44/42/362774442.db2.gz UZXUXPQZSPNMBM-UHFFFAOYSA-N 2 1 243.307 0.351 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326116 347208336 /nfs/dbraw/zinc/20/83/36/347208336.db2.gz KDKLZVLIDZNOOZ-MXWKQRLJSA-N 2 1 228.336 0.855 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326116 347208337 /nfs/dbraw/zinc/20/83/37/347208337.db2.gz KDKLZVLIDZNOOZ-MXWKQRLJSA-N 2 1 228.336 0.855 20 0 BCADMP C[C@@H]1CN(C(=O)NC/C=C/C[NH3+])C[C@H](C)[N@@H+]1C ZINC000641862547 362790400 /nfs/dbraw/zinc/79/04/00/362790400.db2.gz PFNRMXWVVJBHMA-UZPIOYONSA-N 2 1 240.351 0.235 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC/C=C\C[NH3+] ZINC000641863055 362791737 /nfs/dbraw/zinc/79/17/37/362791737.db2.gz XBMLFYKQYPWZIW-DOGVGXBMSA-N 2 1 240.351 0.237 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CS(C)(=O)=O ZINC000081903464 347259206 /nfs/dbraw/zinc/25/92/06/347259206.db2.gz QBEOYMZGGISEEE-SECBINFHSA-N 2 1 245.348 0.214 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000019432265 347324340 /nfs/dbraw/zinc/32/43/40/347324340.db2.gz ORNVEMIYMWRXPU-SECBINFHSA-N 2 1 231.365 0.107 20 0 BCADMP CC[C@@H](O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000157373520 136730615 /nfs/dbraw/zinc/73/06/15/136730615.db2.gz KECHIJHBGQZIEX-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000053197145 347438497 /nfs/dbraw/zinc/43/84/97/347438497.db2.gz BNMDGABJFWOCDK-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616995472 347572175 /nfs/dbraw/zinc/57/21/75/347572175.db2.gz RZXNXXOUTQSFRK-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000451945055 323150883 /nfs/dbraw/zinc/15/08/83/323150883.db2.gz IGCJGNRAAXCEBF-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000451945055 323150884 /nfs/dbraw/zinc/15/08/84/323150884.db2.gz IGCJGNRAAXCEBF-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000591430093 347655186 /nfs/dbraw/zinc/65/51/86/347655186.db2.gz XTCXSEATEJXJQT-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000591726716 347692531 /nfs/dbraw/zinc/69/25/31/347692531.db2.gz LDZAATHMWNQNQO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000591726716 347692533 /nfs/dbraw/zinc/69/25/33/347692533.db2.gz LDZAATHMWNQNQO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000591726716 347692534 /nfs/dbraw/zinc/69/25/34/347692534.db2.gz LDZAATHMWNQNQO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000591726718 347693567 /nfs/dbraw/zinc/69/35/67/347693567.db2.gz LDZAATHMWNQNQO-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000591726718 347693574 /nfs/dbraw/zinc/69/35/74/347693574.db2.gz LDZAATHMWNQNQO-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000591726718 347693578 /nfs/dbraw/zinc/69/35/78/347693578.db2.gz LDZAATHMWNQNQO-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000592471469 347790162 /nfs/dbraw/zinc/79/01/62/347790162.db2.gz HNDSOUMYKMDCTR-JTQLQIEISA-N 2 1 226.320 0.610 20 0 BCADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000194835112 259398546 /nfs/dbraw/zinc/39/85/46/259398546.db2.gz SAYXUWFPXUWZNJ-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000070203082 349977146 /nfs/dbraw/zinc/97/71/46/349977146.db2.gz DHKDDOIMUKVLLN-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC(C)C1 ZINC000577386876 365941653 /nfs/dbraw/zinc/94/16/53/365941653.db2.gz VUKYAYHFGWIPMG-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386876 365941656 /nfs/dbraw/zinc/94/16/56/365941656.db2.gz VUKYAYHFGWIPMG-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386876 365941658 /nfs/dbraw/zinc/94/16/58/365941658.db2.gz VUKYAYHFGWIPMG-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593735023 347938545 /nfs/dbraw/zinc/93/85/45/347938545.db2.gz UQCGSHVEFLZLCO-GHMZBOCLSA-N 2 1 244.335 0.235 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362514105 187383220 /nfs/dbraw/zinc/38/32/20/187383220.db2.gz VLEHQPYDRVSMAY-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C ZINC000195316602 259399835 /nfs/dbraw/zinc/39/98/35/259399835.db2.gz YOBAFWSYEHFQDR-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195316602 259399837 /nfs/dbraw/zinc/39/98/37/259399837.db2.gz YOBAFWSYEHFQDR-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000195316602 259399839 /nfs/dbraw/zinc/39/98/39/259399839.db2.gz YOBAFWSYEHFQDR-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000669382311 537999669 /nfs/dbraw/zinc/99/96/69/537999669.db2.gz JTNDTOKMISEURP-RYUDHWBXSA-N 2 1 226.320 0.087 20 0 BCADMP COC(=O)CC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000619647692 362899684 /nfs/dbraw/zinc/89/96/84/362899684.db2.gz ABWBDYXFUSYXFV-GHMZBOCLSA-N 2 1 238.331 0.481 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]Cc1cncn1C ZINC000263838966 187397480 /nfs/dbraw/zinc/39/74/80/187397480.db2.gz FOMNDBJLNVYVBF-UHFFFAOYSA-N 2 1 219.292 0.715 20 0 BCADMP CS[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101362 349986533 /nfs/dbraw/zinc/98/65/33/349986533.db2.gz JGSNAYXXAFMVLH-MWLCHTKSSA-N 2 1 232.393 0.783 20 0 BCADMP CS[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101362 349986537 /nfs/dbraw/zinc/98/65/37/349986537.db2.gz JGSNAYXXAFMVLH-MWLCHTKSSA-N 2 1 232.393 0.783 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902933 348395021 /nfs/dbraw/zinc/39/50/21/348395021.db2.gz IPSACSQMUQJPJG-NZEXEKPDSA-N 2 1 249.358 0.276 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902932 348395042 /nfs/dbraw/zinc/39/50/42/348395042.db2.gz IPSACSQMUQJPJG-FPYNETTCSA-N 2 1 249.358 0.276 20 0 BCADMP COC(=O)[C@@](C)(CCF)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000595908409 348398045 /nfs/dbraw/zinc/39/80/45/348398045.db2.gz HYQYCERIHVMKCR-ZYHUDNBSSA-N 2 1 246.326 0.867 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000308823393 348761546 /nfs/dbraw/zinc/76/15/46/348761546.db2.gz KHMSYDLNANZSPY-JTQLQIEISA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)O ZINC000308823393 348761547 /nfs/dbraw/zinc/76/15/47/348761547.db2.gz KHMSYDLNANZSPY-JTQLQIEISA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)O ZINC000308823393 348761550 /nfs/dbraw/zinc/76/15/50/348761550.db2.gz KHMSYDLNANZSPY-JTQLQIEISA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)O ZINC000308823393 348761552 /nfs/dbraw/zinc/76/15/52/348761552.db2.gz KHMSYDLNANZSPY-JTQLQIEISA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000054133656 348892281 /nfs/dbraw/zinc/89/22/81/348892281.db2.gz UNRSEIQRCZZLJS-UHFFFAOYSA-N 2 1 213.325 0.195 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054074462 348889597 /nfs/dbraw/zinc/88/95/97/348889597.db2.gz DAKCGJDQNXMKIX-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623511423 362938294 /nfs/dbraw/zinc/93/82/94/362938294.db2.gz OBPRYJQJACQKHI-QWRGUYRKSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623511423 362938299 /nfs/dbraw/zinc/93/82/99/362938299.db2.gz OBPRYJQJACQKHI-QWRGUYRKSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]1CC[N@@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000253238139 349229554 /nfs/dbraw/zinc/22/95/54/349229554.db2.gz PTKYRODKOMMLAX-QWHCGFSZSA-N 2 1 241.379 0.235 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252123952 349196746 /nfs/dbraw/zinc/19/67/46/349196746.db2.gz LEAFDMPDRAXVEF-RHYQMDGZSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@@H+](C)C1CC1 ZINC000059931518 349259774 /nfs/dbraw/zinc/25/97/74/349259774.db2.gz WXVNAMBSCHGTSA-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCF)C1CC1 ZINC000308991310 349267041 /nfs/dbraw/zinc/26/70/41/349267041.db2.gz NYTZNWPVMTZRNR-NSHDSACASA-N 2 1 218.316 0.781 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCF)C1CC1 ZINC000308991310 349267042 /nfs/dbraw/zinc/26/70/42/349267042.db2.gz NYTZNWPVMTZRNR-NSHDSACASA-N 2 1 218.316 0.781 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C[NH3+] ZINC000405889071 490245453 /nfs/dbraw/zinc/24/54/53/490245453.db2.gz WHGABGLUJVZPAY-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP COC(=O)[C@@]1(C)C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000602018443 349417983 /nfs/dbraw/zinc/41/79/83/349417983.db2.gz CALNACDMDFHTTQ-CABZTGNLSA-N 2 1 228.336 0.855 20 0 BCADMP COC(=O)[C@@]1(C)C[N@@H+](CCC[NH3+])C[C@@H]1C ZINC000602020454 349418912 /nfs/dbraw/zinc/41/89/12/349418912.db2.gz LICGKBZKZYGXLK-ONGXEEELSA-N 2 1 214.309 0.466 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000071148907 350089422 /nfs/dbraw/zinc/08/94/22/350089422.db2.gz IAVXDMLXEMPETP-UHFFFAOYSA-N 2 1 249.358 0.729 20 0 BCADMP CC[N@@H+](C)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422709765 192437469 /nfs/dbraw/zinc/43/74/69/192437469.db2.gz DYVZCSNMEMYVIW-QWHCGFSZSA-N 2 1 241.379 0.295 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@H](C[NH3+])OC ZINC000219245948 350118308 /nfs/dbraw/zinc/11/83/08/350118308.db2.gz IJQNMRRYHWNWDA-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000094762660 362949724 /nfs/dbraw/zinc/94/97/24/362949724.db2.gz SIHUSHSMIQZRIR-SNVBAGLBSA-N 2 1 249.314 0.649 20 0 BCADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000094762660 362949729 /nfs/dbraw/zinc/94/97/29/362949729.db2.gz SIHUSHSMIQZRIR-SNVBAGLBSA-N 2 1 249.314 0.649 20 0 BCADMP Cc1cnn(CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000304447521 350153841 /nfs/dbraw/zinc/15/38/41/350153841.db2.gz WUOPUHLVBVQCNY-NWDGAFQWSA-N 2 1 222.336 0.861 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOCCO ZINC000313845999 350165964 /nfs/dbraw/zinc/16/59/64/350165964.db2.gz GOCCTZLGPDTIKO-UHFFFAOYSA-N 2 1 241.335 0.293 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOCCO ZINC000313845999 350165966 /nfs/dbraw/zinc/16/59/66/350165966.db2.gz GOCCTZLGPDTIKO-UHFFFAOYSA-N 2 1 241.335 0.293 20 0 BCADMP CCC[N@H+](C)CC(=O)NCC(F)(F)C[NH3+] ZINC000427324312 191058715 /nfs/dbraw/zinc/05/87/15/191058715.db2.gz LFYJUMKZEKZPHZ-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC(F)(F)C[NH3+] ZINC000427324312 191058718 /nfs/dbraw/zinc/05/87/18/191058718.db2.gz LFYJUMKZEKZPHZ-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H](C)CO ZINC000314039975 350168329 /nfs/dbraw/zinc/16/83/29/350168329.db2.gz VPTNDTVYZNQGDJ-GHMZBOCLSA-N 2 1 225.336 0.959 20 0 BCADMP C[NH+](C)CCSCC[NH+]1CCOCC1 ZINC000072264437 350197282 /nfs/dbraw/zinc/19/72/82/350197282.db2.gz QIQWVYHWDLKSQC-UHFFFAOYSA-N 2 1 218.366 0.613 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000428441431 191073015 /nfs/dbraw/zinc/07/30/15/191073015.db2.gz VYKAOQSZUBUYSV-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000309234073 350215849 /nfs/dbraw/zinc/21/58/49/350215849.db2.gz JEVGGADWMHXLRO-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000309234073 350215851 /nfs/dbraw/zinc/21/58/51/350215851.db2.gz JEVGGADWMHXLRO-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000309234073 350215853 /nfs/dbraw/zinc/21/58/53/350215853.db2.gz JEVGGADWMHXLRO-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000309234073 350215856 /nfs/dbraw/zinc/21/58/56/350215856.db2.gz JEVGGADWMHXLRO-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000309234074 350216049 /nfs/dbraw/zinc/21/60/49/350216049.db2.gz JEVGGADWMHXLRO-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000309234074 350216052 /nfs/dbraw/zinc/21/60/52/350216052.db2.gz JEVGGADWMHXLRO-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000309234074 350216055 /nfs/dbraw/zinc/21/60/55/350216055.db2.gz JEVGGADWMHXLRO-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000309234074 350216057 /nfs/dbraw/zinc/21/60/57/350216057.db2.gz JEVGGADWMHXLRO-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000309225865 350212810 /nfs/dbraw/zinc/21/28/10/350212810.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)CC ZINC000309225865 350212811 /nfs/dbraw/zinc/21/28/11/350212811.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@H](O)C[N@H+](C)CC ZINC000309225865 350212813 /nfs/dbraw/zinc/21/28/13/350212813.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@H](O)C[N@@H+](C)CC ZINC000309225865 350212814 /nfs/dbraw/zinc/21/28/14/350212814.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 2 1 232.368 0.392 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358160230 180222923 /nfs/dbraw/zinc/22/29/23/180222923.db2.gz KBLCSHBODLDUEZ-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358160230 180222925 /nfs/dbraw/zinc/22/29/25/180222925.db2.gz KBLCSHBODLDUEZ-CYBMUJFWSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CC[NH3+] ZINC000037765506 180230757 /nfs/dbraw/zinc/23/07/57/180230757.db2.gz MZNMOXODULSSFN-UHFFFAOYSA-N 2 1 245.286 0.863 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426433319 191083683 /nfs/dbraw/zinc/08/36/83/191083683.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426433319 191083686 /nfs/dbraw/zinc/08/36/86/191083686.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426433319 191083688 /nfs/dbraw/zinc/08/36/88/191083688.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC1 ZINC000268848403 180246419 /nfs/dbraw/zinc/24/64/19/180246419.db2.gz JUSKVFNCKYIPLY-NSHDSACASA-N 2 1 209.293 0.960 20 0 BCADMP CCOCC[N@H+](CC)C[C@H](O)CN(C)CC ZINC000309261359 350244270 /nfs/dbraw/zinc/24/42/70/350244270.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP CCOCC[N@@H+](CC)C[C@H](O)CN(C)CC ZINC000309261359 350244273 /nfs/dbraw/zinc/24/42/73/350244273.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CC(O)C1 ZINC000309256037 350244632 /nfs/dbraw/zinc/24/46/32/350244632.db2.gz OEZKZQRPGBVOGH-MCIGGMRASA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CC(O)C1 ZINC000309256037 350244633 /nfs/dbraw/zinc/24/46/33/350244633.db2.gz OEZKZQRPGBVOGH-MCIGGMRASA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CC(O)C1 ZINC000309256037 350244635 /nfs/dbraw/zinc/24/46/35/350244635.db2.gz OEZKZQRPGBVOGH-MCIGGMRASA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CC(O)C1 ZINC000309256037 350244637 /nfs/dbraw/zinc/24/46/37/350244637.db2.gz OEZKZQRPGBVOGH-MCIGGMRASA-N 2 1 230.352 0.002 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000276172339 180251145 /nfs/dbraw/zinc/25/11/45/180251145.db2.gz JDDMGCKBCUXHLF-GHMZBOCLSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000276172339 180251147 /nfs/dbraw/zinc/25/11/47/180251147.db2.gz JDDMGCKBCUXHLF-GHMZBOCLSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261544967 180259443 /nfs/dbraw/zinc/25/94/43/180259443.db2.gz FKYTXDAZFDJBKS-MNOVXSKESA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000269260778 180257211 /nfs/dbraw/zinc/25/72/11/180257211.db2.gz VZYGATVPBLEXLP-NSHDSACASA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[NH2+]CC1CC1 ZINC000261553258 180257811 /nfs/dbraw/zinc/25/78/11/180257811.db2.gz NRCAZBNDTIFOEW-UHFFFAOYSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(N)=O ZINC000267260070 180244164 /nfs/dbraw/zinc/24/41/64/180244164.db2.gz PWKIJCYBQVZEDW-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)[NH3+] ZINC000308837380 180245070 /nfs/dbraw/zinc/24/50/70/180245070.db2.gz LVSCPOCGANCMPP-MRVPVSSYSA-N 2 1 210.281 0.045 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)O)C[C@@H]2C1 ZINC000365520040 350326979 /nfs/dbraw/zinc/32/69/79/350326979.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)O)C[C@@H]2C1 ZINC000365520040 350326981 /nfs/dbraw/zinc/32/69/81/350326981.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)O)C[C@@H]2C1 ZINC000365520040 350326982 /nfs/dbraw/zinc/32/69/82/350326982.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@H](COC)[NH2+]CCc1c[nH+]cn1C ZINC000309143621 323319663 /nfs/dbraw/zinc/31/96/63/323319663.db2.gz HVIOBIQVABFIKO-SNVBAGLBSA-N 2 1 211.309 0.977 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000168720265 535127106 /nfs/dbraw/zinc/12/71/06/535127106.db2.gz WUWCFGRNKAKNTE-NSHDSACASA-N 2 1 241.379 0.818 20 0 BCADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245183 180338262 /nfs/dbraw/zinc/33/82/62/180338262.db2.gz SFFFQHFYCOHLLS-LLVKDONJSA-N 2 1 222.336 0.818 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2O)CC1(C)C ZINC000623540774 362958768 /nfs/dbraw/zinc/95/87/68/362958768.db2.gz IXJVNHWQKFLBKA-GMTAPVOTSA-N 2 1 228.336 0.209 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2O)CC1(C)C ZINC000623540774 362958770 /nfs/dbraw/zinc/95/87/70/362958770.db2.gz IXJVNHWQKFLBKA-GMTAPVOTSA-N 2 1 228.336 0.209 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163206922 350509902 /nfs/dbraw/zinc/50/99/02/350509902.db2.gz HFXGTXOXRDXOJM-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163206922 350509907 /nfs/dbraw/zinc/50/99/07/350509907.db2.gz HFXGTXOXRDXOJM-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177058156 365960807 /nfs/dbraw/zinc/96/08/07/365960807.db2.gz LRWMWUZCUACGDS-DGCLKSJQSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177058156 365960812 /nfs/dbraw/zinc/96/08/12/365960812.db2.gz LRWMWUZCUACGDS-DGCLKSJQSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058156 365960814 /nfs/dbraw/zinc/96/08/14/365960814.db2.gz LRWMWUZCUACGDS-DGCLKSJQSA-N 2 1 241.379 0.927 20 0 BCADMP CC(=O)NCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058156 365960817 /nfs/dbraw/zinc/96/08/17/365960817.db2.gz LRWMWUZCUACGDS-DGCLKSJQSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793647 350534648 /nfs/dbraw/zinc/53/46/48/350534648.db2.gz WEAYSEMKGBQJGW-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CN1CC[C@@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583869 350543947 /nfs/dbraw/zinc/54/39/47/350543947.db2.gz SBCSBPHSZMJWIF-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248597466 191108879 /nfs/dbraw/zinc/10/88/79/191108879.db2.gz IJORVWYXHBXQSA-SRVKXCTJSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000577513698 365975739 /nfs/dbraw/zinc/97/57/39/365975739.db2.gz VUHZLOOYUJFIIH-GHMZBOCLSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000577513700 365976151 /nfs/dbraw/zinc/97/61/51/365976151.db2.gz VUHZLOOYUJFIIH-QWRGUYRKSA-N 2 1 230.352 0.192 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000570964172 350668059 /nfs/dbraw/zinc/66/80/59/350668059.db2.gz FYZBIEDXDWVYOK-LBPRGKRZSA-N 2 1 227.352 0.572 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000563352567 350823342 /nfs/dbraw/zinc/82/33/42/350823342.db2.gz CROJNWVJVIJVBG-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000563352567 350823344 /nfs/dbraw/zinc/82/33/44/350823344.db2.gz CROJNWVJVIJVBG-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617352530 350841271 /nfs/dbraw/zinc/84/12/71/350841271.db2.gz YNYHATMJPPZHGX-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617352530 350841275 /nfs/dbraw/zinc/84/12/75/350841275.db2.gz YNYHATMJPPZHGX-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051670 362993526 /nfs/dbraw/zinc/99/35/26/362993526.db2.gz ASCIDUBSHXANJL-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP COCC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000380187335 351381177 /nfs/dbraw/zinc/38/11/77/351381177.db2.gz PLSPYENFXPVFQE-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000414680956 351588048 /nfs/dbraw/zinc/58/80/48/351588048.db2.gz NSUQSTWIHRODOZ-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](CC(=O)NCCC[NH3+])CC(C)(C)C ZINC000637801989 351633751 /nfs/dbraw/zinc/63/37/51/351633751.db2.gz LALKKRCNUMBBEO-UHFFFAOYSA-N 2 1 215.341 0.429 20 0 BCADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637802418 351635467 /nfs/dbraw/zinc/63/54/67/351635467.db2.gz QXIRWBUCWUOMAO-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805500 351641385 /nfs/dbraw/zinc/64/13/85/351641385.db2.gz YRBGAIQAGWGBMU-JTQLQIEISA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805826 351642180 /nfs/dbraw/zinc/64/21/80/351642180.db2.gz QUSNWOINJXMLMR-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637806697 351643789 /nfs/dbraw/zinc/64/37/89/351643789.db2.gz VSALIPSZYVPDGS-UHFFFAOYSA-N 2 1 229.368 0.690 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806606 351643946 /nfs/dbraw/zinc/64/39/46/351643946.db2.gz YWZFCZQXIYWKDF-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000637818927 351659203 /nfs/dbraw/zinc/65/92/03/351659203.db2.gz NNYCSBYUXOCZEW-SNVBAGLBSA-N 2 1 222.292 0.012 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637799655 351628800 /nfs/dbraw/zinc/62/88/00/351628800.db2.gz XXHPNBIKCPJZKL-SNVBAGLBSA-N 2 1 222.292 0.141 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637836465 351687278 /nfs/dbraw/zinc/68/72/78/351687278.db2.gz PMAFLOBCHNWSGT-JTQLQIEISA-N 2 1 222.292 0.012 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000637838883 351688603 /nfs/dbraw/zinc/68/86/03/351688603.db2.gz DMEKPPRGZLWVQR-UWVGGRQHSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000637839239 351689795 /nfs/dbraw/zinc/68/97/95/351689795.db2.gz AYVOGAOQMYMPEE-VIFPVBQESA-N 2 1 222.292 0.012 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH2+]C1 ZINC000637837366 351691386 /nfs/dbraw/zinc/69/13/86/351691386.db2.gz FJENVYPZESNHRZ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)[NH2+]1 ZINC000637840610 351695546 /nfs/dbraw/zinc/69/55/46/351695546.db2.gz PMVJPALTVUUIQP-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000637840309 351695631 /nfs/dbraw/zinc/69/56/31/351695631.db2.gz GKEFTXYDOLHUFW-MFKMUULPSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000637841087 351696630 /nfs/dbraw/zinc/69/66/30/351696630.db2.gz QFAWNLRXBZOYSJ-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637844957 351700577 /nfs/dbraw/zinc/70/05/77/351700577.db2.gz SXPZYOLXLGUVIC-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH3+] ZINC000637842912 351701933 /nfs/dbraw/zinc/70/19/33/351701933.db2.gz ASMAULCRJQNIRP-SNVBAGLBSA-N 2 1 238.335 0.812 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637843915 351703206 /nfs/dbraw/zinc/70/32/06/351703206.db2.gz CEIBKUDXZBETIT-MWLCHTKSSA-N 2 1 236.319 0.387 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000637821958 351666523 /nfs/dbraw/zinc/66/65/23/351666523.db2.gz GJYRSPPTBRPPHU-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000637821984 351666659 /nfs/dbraw/zinc/66/66/59/351666659.db2.gz XEYGZSGHNGPVRI-JTQLQIEISA-N 2 1 236.319 0.566 20 0 BCADMP CC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637825867 351671329 /nfs/dbraw/zinc/67/13/29/351671329.db2.gz BANLJKVVEWVGMQ-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637828089 351671519 /nfs/dbraw/zinc/67/15/19/351671519.db2.gz BEIGUHGNBKDKRJ-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637826682 351674158 /nfs/dbraw/zinc/67/41/58/351674158.db2.gz WNBDUZASHAQWGB-UHFFFAOYSA-N 2 1 215.341 0.300 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC(C)(C)[NH3+] ZINC000637857353 351717866 /nfs/dbraw/zinc/71/78/66/351717866.db2.gz JKVKURLQUODCCS-UHFFFAOYSA-N 2 1 210.281 0.045 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]CC1(C)C ZINC000637857487 351718093 /nfs/dbraw/zinc/71/80/93/351718093.db2.gz QMIWAVLFMSQFOS-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[NH3+] ZINC000637857559 351718138 /nfs/dbraw/zinc/71/81/38/351718138.db2.gz MEAPGMVLTAKGPC-UHFFFAOYSA-N 2 1 238.335 0.860 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC000637861710 351722716 /nfs/dbraw/zinc/72/27/16/351722716.db2.gz IRFSJNRXRHGSPZ-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000626986979 363089328 /nfs/dbraw/zinc/08/93/28/363089328.db2.gz SVMCTMARFMMRSZ-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000638047434 351926563 /nfs/dbraw/zinc/92/65/63/351926563.db2.gz HNNXLYMZAPJZRO-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049841 351927124 /nfs/dbraw/zinc/92/71/24/351927124.db2.gz OZHWCLXCMMLBGU-NEPJUHHUSA-N 2 1 237.347 0.634 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000638068047 351938141 /nfs/dbraw/zinc/93/81/41/351938141.db2.gz ALQOGZUEHHGHME-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000638071932 351943198 /nfs/dbraw/zinc/94/31/98/351943198.db2.gz IJINOKZVCISONS-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638071653 351943579 /nfs/dbraw/zinc/94/35/79/351943579.db2.gz HAVPFXRCZISNTB-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000638079529 351952961 /nfs/dbraw/zinc/95/29/61/351952961.db2.gz UGWSOYZLCUWUPE-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085532 351962421 /nfs/dbraw/zinc/96/24/21/351962421.db2.gz MGZDSVHGXYTPPQ-CMPLNLGQSA-N 2 1 237.347 0.492 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638089367 351966137 /nfs/dbraw/zinc/96/61/37/351966137.db2.gz PUTONWMBIRHMMG-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CO[C@]1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCOC1 ZINC000638090573 351968494 /nfs/dbraw/zinc/96/84/94/351968494.db2.gz YYETZUCPDKXWLD-XQQFMLRXSA-N 2 1 240.347 0.476 20 0 BCADMP CO[C@]1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCOC1 ZINC000638090573 351968495 /nfs/dbraw/zinc/96/84/95/351968495.db2.gz YYETZUCPDKXWLD-XQQFMLRXSA-N 2 1 240.347 0.476 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638096577 351976737 /nfs/dbraw/zinc/97/67/37/351976737.db2.gz JSIKBNSHVFVYFH-ZYHUDNBSSA-N 2 1 239.363 0.880 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638096575 351976962 /nfs/dbraw/zinc/97/69/62/351976962.db2.gz JSIKBNSHVFVYFH-JQWIXIFHSA-N 2 1 239.363 0.880 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000638096612 351977097 /nfs/dbraw/zinc/97/70/97/351977097.db2.gz KNWUKDUCDNVEEA-QWRGUYRKSA-N 2 1 229.368 0.831 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098318 351977823 /nfs/dbraw/zinc/97/78/23/351977823.db2.gz BLWDHLXHMICNKB-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000638099655 351979595 /nfs/dbraw/zinc/97/95/95/351979595.db2.gz CWSQONBTUPTTSR-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000638099644 351979704 /nfs/dbraw/zinc/97/97/04/351979704.db2.gz IHNCOKFFUPMEKK-CHWSQXEVSA-N 2 1 249.358 0.634 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638100249 351981021 /nfs/dbraw/zinc/98/10/21/351981021.db2.gz LNQBVLCPCHTVNF-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000638121802 351995072 /nfs/dbraw/zinc/99/50/72/351995072.db2.gz HJVZTXXRUORSFD-TUAOUCFPSA-N 2 1 241.379 0.926 20 0 BCADMP Cc1[nH+]ccn1-c1cncc(N(C)[C@H](C)C[NH3+])n1 ZINC000420197566 192173849 /nfs/dbraw/zinc/17/38/49/192173849.db2.gz XPLIHRVAFWOWRE-SECBINFHSA-N 2 1 246.318 0.754 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195479 352057812 /nfs/dbraw/zinc/05/78/12/352057812.db2.gz MUUPQHCQRWPBBU-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638197111 352059457 /nfs/dbraw/zinc/05/94/57/352059457.db2.gz FULNKBPIXNZIAA-WDEREUQCSA-N 2 1 236.319 0.578 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000638204698 352067677 /nfs/dbraw/zinc/06/76/77/352067677.db2.gz AYVKNHZISHJMIW-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000638209921 352072959 /nfs/dbraw/zinc/07/29/59/352072959.db2.gz FYDZLEVQWPEQFU-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000638155679 352018661 /nfs/dbraw/zinc/01/86/61/352018661.db2.gz FTRFESADJYTGIS-ONGXEEELSA-N 2 1 236.319 0.400 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156344 352019886 /nfs/dbraw/zinc/01/98/86/352019886.db2.gz YUJGYZIQZBMZGU-NSHDSACASA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000638157042 352020612 /nfs/dbraw/zinc/02/06/12/352020612.db2.gz BAJHXNATXWPSEK-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000638157038 352020709 /nfs/dbraw/zinc/02/07/09/352020709.db2.gz BAJHXNATXWPSEK-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638157974 352025368 /nfs/dbraw/zinc/02/53/68/352025368.db2.gz YCIGMHGQAUXNJY-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH3+])CC[N@H+]1C ZINC000638169053 352033008 /nfs/dbraw/zinc/03/30/08/352033008.db2.gz CLWMMSPAMHRKFM-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000638168070 352035883 /nfs/dbraw/zinc/03/58/83/352035883.db2.gz BUSXKZFWXWBTTF-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638171686 352038725 /nfs/dbraw/zinc/03/87/25/352038725.db2.gz SDAHIOPJQGFDII-CYBMUJFWSA-N 2 1 248.330 0.404 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000389570060 352083858 /nfs/dbraw/zinc/08/38/58/352083858.db2.gz BHOJZKDIZWYYQU-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H](C)O ZINC000389570060 352083864 /nfs/dbraw/zinc/08/38/64/352083864.db2.gz BHOJZKDIZWYYQU-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000389570060 352083867 /nfs/dbraw/zinc/08/38/67/352083867.db2.gz BHOJZKDIZWYYQU-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000389570060 352083871 /nfs/dbraw/zinc/08/38/71/352083871.db2.gz BHOJZKDIZWYYQU-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638246474 352093329 /nfs/dbraw/zinc/09/33/29/352093329.db2.gz JJXXUJLIRINKGT-VXGBXAGGSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638252637 352095888 /nfs/dbraw/zinc/09/58/88/352095888.db2.gz VGVDMVLGMKFVNE-LBPRGKRZSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638253240 352096490 /nfs/dbraw/zinc/09/64/90/352096490.db2.gz JCSYNJPZDZYNIB-CMPLNLGQSA-N 2 1 241.310 0.194 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638254866 352098096 /nfs/dbraw/zinc/09/80/96/352098096.db2.gz IZLVKFGUONKNCE-ZJUUUORDSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000638257343 352100646 /nfs/dbraw/zinc/10/06/46/352100646.db2.gz VAYHIVMNVVJODZ-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638257727 352101545 /nfs/dbraw/zinc/10/15/45/352101545.db2.gz VXGCRAXGBMYKMP-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638267441 352107006 /nfs/dbraw/zinc/10/70/06/352107006.db2.gz RLXLVBLVFONCRP-JTQLQIEISA-N 2 1 236.319 0.448 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000638270860 352109586 /nfs/dbraw/zinc/10/95/86/352109586.db2.gz NKZKIQVMRUMPIY-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638331720 352153775 /nfs/dbraw/zinc/15/37/75/352153775.db2.gz LBLHNZABOONGEW-NSHDSACASA-N 2 1 236.319 0.387 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638369170 352181660 /nfs/dbraw/zinc/18/16/60/352181660.db2.gz DYICWVBQACPEMJ-RKDXNWHRSA-N 2 1 224.308 0.434 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638371321 352184444 /nfs/dbraw/zinc/18/44/44/352184444.db2.gz QPBLCZNKOBVZCW-IUCAKERBSA-N 2 1 224.308 0.434 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000638375890 352186030 /nfs/dbraw/zinc/18/60/30/352186030.db2.gz JHKKRVKTKDCQAA-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]C2CC2)C1 ZINC000638374023 352186252 /nfs/dbraw/zinc/18/62/52/352186252.db2.gz HLDBPCVCKXYWEK-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]C1CC1 ZINC000638375411 352188088 /nfs/dbraw/zinc/18/80/88/352188088.db2.gz XGTFRHIOBYMASK-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP CCn1ncnc1C[NH2+]CCCn1cc[nH+]c1C ZINC000638387465 352196433 /nfs/dbraw/zinc/19/64/33/352196433.db2.gz UTNMTPOGDRYEOK-UHFFFAOYSA-N 2 1 248.334 0.983 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C[NH3+])C1CC1 ZINC000638329244 352149481 /nfs/dbraw/zinc/14/94/81/352149481.db2.gz PZZXKQWAGMXWHG-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638431835 352240240 /nfs/dbraw/zinc/24/02/40/352240240.db2.gz VHESOZWYASXIIY-MXWKQRLJSA-N 2 1 243.326 0.368 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000638402094 352208067 /nfs/dbraw/zinc/20/80/67/352208067.db2.gz JBHSAIPNFKWVEB-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638403110 352209912 /nfs/dbraw/zinc/20/99/12/352209912.db2.gz XTGZKXNBBDOWMV-JTQLQIEISA-N 2 1 227.352 0.666 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000638404002 352210452 /nfs/dbraw/zinc/21/04/52/352210452.db2.gz WZDQUMIKHCCEQG-QMMMGPOBSA-N 2 1 210.281 0.366 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638419112 352228304 /nfs/dbraw/zinc/22/83/04/352228304.db2.gz SDLVSYMDGPMWKW-UHFFFAOYSA-N 2 1 234.303 0.141 20 0 BCADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440785 352246972 /nfs/dbraw/zinc/24/69/72/352246972.db2.gz QSFKIVQTXGMNAD-CYBMUJFWSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442072 352249132 /nfs/dbraw/zinc/24/91/32/352249132.db2.gz NZKKABRZCWIDIT-YPMHNXCESA-N 2 1 248.330 0.531 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638440245 352249893 /nfs/dbraw/zinc/24/98/93/352249893.db2.gz NWLIBFKWLPUDFH-CMPLNLGQSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH2+]C)C1CC1 ZINC000219924650 363142568 /nfs/dbraw/zinc/14/25/68/363142568.db2.gz LSUOEFKKSGDXEE-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CSC[NH2+]1 ZINC000638495641 352314896 /nfs/dbraw/zinc/31/48/96/352314896.db2.gz LIAQQORDXTVJSE-DTWKUNHWSA-N 2 1 241.360 0.050 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506907 352328552 /nfs/dbraw/zinc/32/85/52/352328552.db2.gz ZWBIYDJZWNECBN-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH3+] ZINC000638516632 352345294 /nfs/dbraw/zinc/34/52/94/352345294.db2.gz FTSMAWJGUSLNMX-UHFFFAOYSA-N 2 1 201.314 0.135 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638528476 352362335 /nfs/dbraw/zinc/36/23/35/352362335.db2.gz IIQVLAGHDAFYGW-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354901444 187722931 /nfs/dbraw/zinc/72/29/31/187722931.db2.gz CTGLKFRMGRJXKO-UHFFFAOYSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C[NH2+]1 ZINC000638642255 352485664 /nfs/dbraw/zinc/48/56/64/352485664.db2.gz WCJWAFDVXHQKOK-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000415006123 352498768 /nfs/dbraw/zinc/49/87/68/352498768.db2.gz PVOZPGIKFXOWLW-TUAOUCFPSA-N 3 1 211.353 0.846 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncnn1C ZINC000638675587 352515455 /nfs/dbraw/zinc/51/54/55/352515455.db2.gz XFEXUGSQFZCVKO-UHFFFAOYSA-N 2 1 248.334 0.890 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638730071 352592586 /nfs/dbraw/zinc/59/25/86/352592586.db2.gz RELDJENSIIENGC-GVXVVHGQSA-N 2 1 237.347 0.196 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042165744 352614029 /nfs/dbraw/zinc/61/40/29/352614029.db2.gz IYBUSEASHCWARG-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300409404 352563293 /nfs/dbraw/zinc/56/32/93/352563293.db2.gz ZYHYFQYIDQNXQI-YPMHNXCESA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531393 352654834 /nfs/dbraw/zinc/65/48/34/352654834.db2.gz WFWTVYHPLGVXML-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531393 352654836 /nfs/dbraw/zinc/65/48/36/352654836.db2.gz WFWTVYHPLGVXML-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000044798764 352657425 /nfs/dbraw/zinc/65/74/25/352657425.db2.gz DZMIJOSCNOMNSX-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)C[N@@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691495 352623588 /nfs/dbraw/zinc/62/35/88/352623588.db2.gz CEVSKCWAXKXMSF-UHFFFAOYSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775358 352722325 /nfs/dbraw/zinc/72/23/25/352722325.db2.gz CSCKFOTZUKMOCB-VHSXEESVSA-N 2 1 213.325 0.193 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000262052743 535196783 /nfs/dbraw/zinc/19/67/83/535196783.db2.gz ZVLSEOUBKVBIIL-UHFFFAOYSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000261585808 535197362 /nfs/dbraw/zinc/19/73/62/535197362.db2.gz QQDPZZGZQWGXLM-VIFPVBQESA-N 2 1 213.325 0.454 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930900 353092131 /nfs/dbraw/zinc/09/21/31/353092131.db2.gz UDZURRZOVMMYRU-SRVKXCTJSA-N 2 1 237.347 0.434 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638931778 353093069 /nfs/dbraw/zinc/09/30/69/353093069.db2.gz RUGOSLAAYQXAMM-WCBMZHEXSA-N 2 1 222.292 0.140 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638935602 353099405 /nfs/dbraw/zinc/09/94/05/353099405.db2.gz OAHHKTSIXLCPQK-VHSXEESVSA-N 2 1 213.325 0.275 20 0 BCADMP CC(C)[N@@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000302215424 188059983 /nfs/dbraw/zinc/05/99/83/188059983.db2.gz IXOJLRDJSHGCPD-UHFFFAOYSA-N 2 1 236.319 0.933 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OCC1CC1 ZINC000357083386 188065740 /nfs/dbraw/zinc/06/57/40/188065740.db2.gz PDQPTALEVUXFJT-CHWSQXEVSA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)C[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000357088622 188066508 /nfs/dbraw/zinc/06/65/08/188066508.db2.gz SYXJEFQKWZGFFY-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[NH+](C)C ZINC000360410605 188069057 /nfs/dbraw/zinc/06/90/57/188069057.db2.gz IWQSWUARVLPOFT-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967247 353175132 /nfs/dbraw/zinc/17/51/32/353175132.db2.gz LHOWVNZGLMEPMA-HAQNSBGRSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357320552 188120008 /nfs/dbraw/zinc/12/00/08/188120008.db2.gz YJUCRSIBSRLXBD-NTZNESFSSA-N 2 1 241.379 0.829 20 0 BCADMP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000300771825 188171422 /nfs/dbraw/zinc/17/14/22/188171422.db2.gz ACGDHAGIZZKNHY-NSHDSACASA-N 2 1 222.336 0.898 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000040923624 188216211 /nfs/dbraw/zinc/21/62/11/188216211.db2.gz YCMUNSWNVOABIU-JTQLQIEISA-N 2 1 225.336 0.420 20 0 BCADMP CC(=O)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000043497716 188216517 /nfs/dbraw/zinc/21/65/17/188216517.db2.gz WQDJUZKVMWIRNT-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251543767 188220893 /nfs/dbraw/zinc/22/08/93/188220893.db2.gz YNBFXLFZBWQIIP-QWRGUYRKSA-N 2 1 237.347 0.196 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131738105 188221740 /nfs/dbraw/zinc/22/17/40/188221740.db2.gz DSUPUTNNAVTPDQ-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131738105 188221741 /nfs/dbraw/zinc/22/17/41/188221741.db2.gz DSUPUTNNAVTPDQ-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000054133444 188222020 /nfs/dbraw/zinc/22/20/20/188222020.db2.gz KTFNDUQKMNAZQV-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285453272 188208584 /nfs/dbraw/zinc/20/85/84/188208584.db2.gz GMMASIHDBFFYNA-VXGBXAGGSA-N 2 1 239.319 0.273 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285453272 188208586 /nfs/dbraw/zinc/20/85/86/188208586.db2.gz GMMASIHDBFFYNA-VXGBXAGGSA-N 2 1 239.319 0.273 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000250094973 353267527 /nfs/dbraw/zinc/26/75/27/353267527.db2.gz XQFSPHINTJASGN-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250042978 353267542 /nfs/dbraw/zinc/26/75/42/353267542.db2.gz VBZZLXCUWRLRQA-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250042978 353267543 /nfs/dbraw/zinc/26/75/43/353267543.db2.gz VBZZLXCUWRLRQA-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204589 353269760 /nfs/dbraw/zinc/26/97/60/353269760.db2.gz BUONTMXCURYTAB-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336559306 188230611 /nfs/dbraw/zinc/23/06/11/188230611.db2.gz DRJAFJLYVRGSSG-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000639023049 353281939 /nfs/dbraw/zinc/28/19/39/353281939.db2.gz SNDWANXZBCPDSE-CIUDSAMLSA-N 2 1 229.349 0.035 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251712600 353287258 /nfs/dbraw/zinc/28/72/58/353287258.db2.gz JMJFHXRVRXOZCI-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000252214150 353299268 /nfs/dbraw/zinc/29/92/68/353299268.db2.gz YUYPTIUYMZBORP-KXUCPTDWSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000252214150 353299270 /nfs/dbraw/zinc/29/92/70/353299270.db2.gz YUYPTIUYMZBORP-KXUCPTDWSA-N 2 1 243.376 0.248 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843881 353311968 /nfs/dbraw/zinc/31/19/68/353311968.db2.gz DHXIAFBQSVAVHK-SDDRHHMPSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165323037 353299922 /nfs/dbraw/zinc/29/99/22/353299922.db2.gz YUSDQYLSNVRRIO-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165322925 353299933 /nfs/dbraw/zinc/29/99/33/353299933.db2.gz YUSDQYLSNVRRIO-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770895 353304138 /nfs/dbraw/zinc/30/41/38/353304138.db2.gz IDQGFMOBRNHKDI-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770895 353304141 /nfs/dbraw/zinc/30/41/41/353304141.db2.gz IDQGFMOBRNHKDI-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639048824 353343431 /nfs/dbraw/zinc/34/34/31/353343431.db2.gz AFNPCWJVCDVLEZ-RYUDHWBXSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639048824 353343432 /nfs/dbraw/zinc/34/34/32/353343432.db2.gz AFNPCWJVCDVLEZ-RYUDHWBXSA-N 2 1 228.336 0.212 20 0 BCADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000165610737 353408586 /nfs/dbraw/zinc/40/85/86/353408586.db2.gz ZSDBSMXDOREBIA-VHSXEESVSA-N 2 1 243.376 0.105 20 0 BCADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000165610978 353409578 /nfs/dbraw/zinc/40/95/78/353409578.db2.gz ZSDBSMXDOREBIA-NXEZZACHSA-N 2 1 243.376 0.105 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000571669495 353490126 /nfs/dbraw/zinc/49/01/26/353490126.db2.gz QIERPOJUFCHUDQ-VXGBXAGGSA-N 3 1 213.369 0.964 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000343301769 353467150 /nfs/dbraw/zinc/46/71/50/353467150.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000343301769 353467152 /nfs/dbraw/zinc/46/71/52/353467152.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP COCC[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000343301769 353467156 /nfs/dbraw/zinc/46/71/56/353467156.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 1 243.395 0.494 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000192096139 353541716 /nfs/dbraw/zinc/54/17/16/353541716.db2.gz YKMNVTKAWBMLKZ-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192108987 353542453 /nfs/dbraw/zinc/54/24/53/353542453.db2.gz AAWDSAKXXYMWMI-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000192108328 353542527 /nfs/dbraw/zinc/54/25/27/353542527.db2.gz FXERRLMPWAGLDD-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192120234 353544432 /nfs/dbraw/zinc/54/44/32/353544432.db2.gz KSANWLZMZJMFJR-WDEREUQCSA-N 2 1 245.367 0.054 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178452 353580413 /nfs/dbraw/zinc/58/04/13/353580413.db2.gz UQJVOLQASMALMQ-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000193309873 353590922 /nfs/dbraw/zinc/59/09/22/353590922.db2.gz NKQBHHFIDNAJBQ-UWVGGRQHSA-N 2 1 227.352 0.713 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000230896471 353550758 /nfs/dbraw/zinc/55/07/58/353550758.db2.gz ZGDQYWWXESQSOA-ZDUSSCGKSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000231720262 353648059 /nfs/dbraw/zinc/64/80/59/353648059.db2.gz PFCOADCVQYWIGC-JTQLQIEISA-N 2 1 248.330 0.316 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000231720262 353648062 /nfs/dbraw/zinc/64/80/62/353648062.db2.gz PFCOADCVQYWIGC-JTQLQIEISA-N 2 1 248.330 0.316 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000577883107 366095839 /nfs/dbraw/zinc/09/58/39/366095839.db2.gz MIRGHHMOMOFQNW-RQJHMYQMSA-N 2 1 223.267 0.213 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522145163 324202068 /nfs/dbraw/zinc/20/20/68/324202068.db2.gz LYWWKGJFQAAHCL-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522145163 324202071 /nfs/dbraw/zinc/20/20/71/324202071.db2.gz LYWWKGJFQAAHCL-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522145163 324202073 /nfs/dbraw/zinc/20/20/73/324202073.db2.gz LYWWKGJFQAAHCL-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627096239 363253298 /nfs/dbraw/zinc/25/32/98/363253298.db2.gz SWIFHCUXDYBTIH-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@@H+](CCNC1=[NH+]CCCN1)C(C)C ZINC000066246541 353784242 /nfs/dbraw/zinc/78/42/42/353784242.db2.gz BJEICWLZVZLMRN-UHFFFAOYSA-N 2 1 212.341 0.656 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000354402785 188513261 /nfs/dbraw/zinc/51/32/61/188513261.db2.gz YMHMNWQYVYCWHU-UHFFFAOYSA-N 2 1 229.368 0.783 20 0 BCADMP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343472272 353900358 /nfs/dbraw/zinc/90/03/58/353900358.db2.gz GGKKWPDFZFOQAH-DTWKUNHWSA-N 2 1 249.305 0.345 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117711 363283995 /nfs/dbraw/zinc/28/39/95/363283995.db2.gz WBBQXBIHIXZCBB-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CO[C@H](C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000639167740 354039862 /nfs/dbraw/zinc/03/98/62/354039862.db2.gz KQQZVOFRDRXVPE-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000343844064 354020241 /nfs/dbraw/zinc/02/02/41/354020241.db2.gz DHPSJLFNNWMIQB-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[NH+](C)C ZINC000343835183 354034665 /nfs/dbraw/zinc/03/46/65/354034665.db2.gz TYXBIPSNKYVBEH-GXSJLCMTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[NH+](C)C ZINC000343835183 354034666 /nfs/dbraw/zinc/03/46/66/354034666.db2.gz TYXBIPSNKYVBEH-GXSJLCMTSA-N 2 1 225.336 0.147 20 0 BCADMP CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344023181 354084585 /nfs/dbraw/zinc/08/45/85/354084585.db2.gz HRSOEQDLWUHJJT-UHFFFAOYSA-N 2 1 201.358 0.822 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000232298205 363366345 /nfs/dbraw/zinc/36/63/45/363366345.db2.gz VZECSWINFVXTHI-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000232298203 363366654 /nfs/dbraw/zinc/36/66/54/363366654.db2.gz VZECSWINFVXTHI-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000334614744 354300176 /nfs/dbraw/zinc/30/01/76/354300176.db2.gz DRBVYCBUOKVIMB-QWRGUYRKSA-N 3 1 247.333 0.963 20 0 BCADMP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334600875 354279530 /nfs/dbraw/zinc/27/95/30/354279530.db2.gz CJWDKEHLQFVVLW-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334600875 354279532 /nfs/dbraw/zinc/27/95/32/354279532.db2.gz CJWDKEHLQFVVLW-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974359 354386272 /nfs/dbraw/zinc/38/62/72/354386272.db2.gz PBJKLILWLSZTOP-CABZTGNLSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974359 354386276 /nfs/dbraw/zinc/38/62/76/354386276.db2.gz PBJKLILWLSZTOP-CABZTGNLSA-N 2 1 248.330 0.220 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000345015523 354394732 /nfs/dbraw/zinc/39/47/32/354394732.db2.gz SKRGICDIDNDVGY-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000345015523 354394736 /nfs/dbraw/zinc/39/47/36/354394736.db2.gz SKRGICDIDNDVGY-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCC[NH+]1C ZINC000345015523 354394739 /nfs/dbraw/zinc/39/47/39/354394739.db2.gz SKRGICDIDNDVGY-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCC[NH+]1C ZINC000345015523 354394742 /nfs/dbraw/zinc/39/47/42/354394742.db2.gz SKRGICDIDNDVGY-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334659858 354456869 /nfs/dbraw/zinc/45/68/69/354456869.db2.gz HEVHZMLYXDWWMA-MNOVXSKESA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000334802076 354557547 /nfs/dbraw/zinc/55/75/47/354557547.db2.gz XADLOOZFSZESLK-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335108007 354694208 /nfs/dbraw/zinc/69/42/08/354694208.db2.gz QQLKWHUYGWNKAS-BDAKNGLRSA-N 2 1 247.289 0.052 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000233355484 363399630 /nfs/dbraw/zinc/39/96/30/363399630.db2.gz VQPMCPYJSVEYOT-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000233355484 363399632 /nfs/dbraw/zinc/39/96/32/363399632.db2.gz VQPMCPYJSVEYOT-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)[NH3+] ZINC000166026431 354811664 /nfs/dbraw/zinc/81/16/64/354811664.db2.gz XZJXJPHWHVAZMN-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](CO)COC)CC1 ZINC000233472425 363403727 /nfs/dbraw/zinc/40/37/27/363403727.db2.gz BUZTYFCLDUAGOM-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000235496362 363446143 /nfs/dbraw/zinc/44/61/43/363446143.db2.gz JFFGINSENRTGCI-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000235496362 363446147 /nfs/dbraw/zinc/44/61/47/363446147.db2.gz JFFGINSENRTGCI-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP COCC[NH+](C)CC(C)C[N@H+](C)CCOC ZINC000346433002 354932597 /nfs/dbraw/zinc/93/25/97/354932597.db2.gz GJFFKMHWUZMDLJ-UHFFFAOYSA-N 2 1 232.368 0.779 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000335183752 355081752 /nfs/dbraw/zinc/08/17/52/355081752.db2.gz DEMPTGNABZWYFU-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP c1ncn([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825721 355126611 /nfs/dbraw/zinc/12/66/11/355126611.db2.gz LKDQNMDYZUSJGR-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]21 ZINC000346836747 355131350 /nfs/dbraw/zinc/13/13/50/355131350.db2.gz VGIRPMFBRIONLF-MVWJERBFSA-N 2 1 220.320 0.969 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]21 ZINC000346836747 355131352 /nfs/dbraw/zinc/13/13/52/355131352.db2.gz VGIRPMFBRIONLF-MVWJERBFSA-N 2 1 220.320 0.969 20 0 BCADMP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000346844848 355135578 /nfs/dbraw/zinc/13/55/78/355135578.db2.gz LWQDZXSZQVDQOW-VXGBXAGGSA-N 2 1 243.395 0.501 20 0 BCADMP CC(=O)NC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346852204 355139153 /nfs/dbraw/zinc/13/91/53/355139153.db2.gz WQQACVZHRIWXCG-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CC(=O)NC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346852204 355139155 /nfs/dbraw/zinc/13/91/55/355139155.db2.gz WQQACVZHRIWXCG-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCC[N@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000346970940 355207461 /nfs/dbraw/zinc/20/74/61/355207461.db2.gz GNYDQKXKRUWBSZ-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP CN(C)C(=O)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346978220 355212112 /nfs/dbraw/zinc/21/21/12/355212112.db2.gz KSDJFIWEOVBQLF-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000346966095 355173439 /nfs/dbraw/zinc/17/34/39/355173439.db2.gz DFNNYBYBTJLFTM-LLVKDONJSA-N 2 1 237.351 0.727 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000346966095 355173441 /nfs/dbraw/zinc/17/34/41/355173441.db2.gz DFNNYBYBTJLFTM-LLVKDONJSA-N 2 1 237.351 0.727 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989448 355189649 /nfs/dbraw/zinc/18/96/49/355189649.db2.gz RLALOXKMEVKCAC-OLZOCXBDSA-N 3 1 225.380 0.870 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989448 355189651 /nfs/dbraw/zinc/18/96/51/355189651.db2.gz RLALOXKMEVKCAC-OLZOCXBDSA-N 3 1 225.380 0.870 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347002295 355200664 /nfs/dbraw/zinc/20/06/64/355200664.db2.gz ITEJVSYYUJIXGT-RYUDHWBXSA-N 2 1 239.363 0.573 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513507 355250218 /nfs/dbraw/zinc/25/02/18/355250218.db2.gz UDNHERKTVFTECZ-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335288092 355258227 /nfs/dbraw/zinc/25/82/27/355258227.db2.gz LAGCQBROKFVYKJ-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623748934 355297282 /nfs/dbraw/zinc/29/72/82/355297282.db2.gz OJWXEDZOSYKUIN-NDBYEHHHSA-N 2 1 224.348 0.974 20 0 BCADMP Cn1ncnc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000639256848 355301190 /nfs/dbraw/zinc/30/11/90/355301190.db2.gz GJGIBTWPYDUJRR-NSHDSACASA-N 2 1 237.351 0.637 20 0 BCADMP NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000261691631 181189878 /nfs/dbraw/zinc/18/98/78/181189878.db2.gz BHKJZALUHQYMAN-SECBINFHSA-N 2 1 222.292 0.900 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000608376349 355388518 /nfs/dbraw/zinc/38/85/18/355388518.db2.gz RWQXSPLGVTXVJW-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CC1 ZINC000051691815 181198761 /nfs/dbraw/zinc/19/87/61/181198761.db2.gz ISSQLCRQXWRQSA-VIFPVBQESA-N 2 1 222.336 0.747 20 0 BCADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1 ZINC000112332701 181198875 /nfs/dbraw/zinc/19/88/75/181198875.db2.gz HVBDGFPKGVLCJU-WDEREUQCSA-N 2 1 238.335 0.126 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH3+])C[C@H]1C ZINC000335840528 355584107 /nfs/dbraw/zinc/58/41/07/355584107.db2.gz NOUYRNHHXIAQIU-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984341 355569957 /nfs/dbraw/zinc/56/99/57/355569957.db2.gz DCOUWQNABKRDJC-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000350021033 355576978 /nfs/dbraw/zinc/57/69/78/355576978.db2.gz WTBYTXGCVLTZJY-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000350021033 355576982 /nfs/dbraw/zinc/57/69/82/355576982.db2.gz WTBYTXGCVLTZJY-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000582181803 355646118 /nfs/dbraw/zinc/64/61/18/355646118.db2.gz RUJZUEHGOKSNAP-XQQFMLRXSA-N 3 1 241.379 0.472 20 0 BCADMP CC(C)(C)[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000628369844 355878344 /nfs/dbraw/zinc/87/83/44/355878344.db2.gz FQPCWEFMINLRGC-UHFFFAOYSA-N 2 1 244.379 0.536 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000389249296 355935693 /nfs/dbraw/zinc/93/56/93/355935693.db2.gz BWHBJEDPUXKZEM-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000389249309 355935747 /nfs/dbraw/zinc/93/57/47/355935747.db2.gz BWHBJEDPUXKZEM-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000167201958 355980601 /nfs/dbraw/zinc/98/06/01/355980601.db2.gz GXBULPJSYAQPBV-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418005062 191951600 /nfs/dbraw/zinc/95/16/00/191951600.db2.gz OYYAFTFSVZBKEY-GARJFASQSA-N 2 1 242.367 0.506 20 0 BCADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551740 356107764 /nfs/dbraw/zinc/10/77/64/356107764.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000617551740 356107766 /nfs/dbraw/zinc/10/77/66/356107766.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000617551740 356107769 /nfs/dbraw/zinc/10/77/69/356107769.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351745965 356078878 /nfs/dbraw/zinc/07/88/78/356078878.db2.gz DESLHMPHWOMHPE-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351745962 356079296 /nfs/dbraw/zinc/07/92/96/356079296.db2.gz DESLHMPHWOMHPE-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864948 356101088 /nfs/dbraw/zinc/10/10/88/356101088.db2.gz ZYPVSAMYOADBNI-SDDRHHMPSA-N 2 1 241.379 0.911 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623261567 356148766 /nfs/dbraw/zinc/14/87/66/356148766.db2.gz XHUFNOJRWYXOOV-CMPLNLGQSA-N 2 1 248.330 0.408 20 0 BCADMP CN1CCCC[C@@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623261567 356148771 /nfs/dbraw/zinc/14/87/71/356148771.db2.gz XHUFNOJRWYXOOV-CMPLNLGQSA-N 2 1 248.330 0.408 20 0 BCADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000418306610 192021288 /nfs/dbraw/zinc/02/12/88/192021288.db2.gz KOMGZUURSWXACM-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H]1Cc2cncn2C1)C1CC1 ZINC000623263095 356198515 /nfs/dbraw/zinc/19/85/15/356198515.db2.gz BLRJTBFBFVOFIV-SNVBAGLBSA-N 2 1 248.330 0.408 20 0 BCADMP CCN(CC(=O)N[C@@H]1Cc2cncn2C1)C1CC1 ZINC000623263095 356198520 /nfs/dbraw/zinc/19/85/20/356198520.db2.gz BLRJTBFBFVOFIV-SNVBAGLBSA-N 2 1 248.330 0.408 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH3+] ZINC000418291516 192016784 /nfs/dbraw/zinc/01/67/84/192016784.db2.gz AAOKAJZMCPHPAX-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000331922746 356204918 /nfs/dbraw/zinc/20/49/18/356204918.db2.gz VJWSLMOMPGDWJS-NSHDSACASA-N 2 1 242.367 0.318 20 0 BCADMP C[C@H]1CN(CC[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000420267871 192193158 /nfs/dbraw/zinc/19/31/58/192193158.db2.gz GEISSXQTULAXCV-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]([NH3+])C1CC1 ZINC000420218066 192193611 /nfs/dbraw/zinc/19/36/11/192193611.db2.gz LNZGSECLZFZFRN-LLVKDONJSA-N 2 1 249.314 0.829 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]([NH3+])C1CC1 ZINC000420218067 192193902 /nfs/dbraw/zinc/19/39/02/192193902.db2.gz LNZGSECLZFZFRN-NSHDSACASA-N 2 1 249.314 0.829 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)C[NH3+] ZINC000420248230 192186859 /nfs/dbraw/zinc/18/68/59/192186859.db2.gz VYJGRQHNBJBCCB-MRVPVSSYSA-N 2 1 223.276 0.439 20 0 BCADMP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000639456087 356241052 /nfs/dbraw/zinc/24/10/52/356241052.db2.gz AGDOWRLCKANYPC-GRYCIOLGSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@@H](CCNC(=O)C[NH+]1CC(C)(C)C1)[NH+](C)C ZINC000617760207 356321633 /nfs/dbraw/zinc/32/16/33/356321633.db2.gz WBBYETVZFKGUGW-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420297962 192204695 /nfs/dbraw/zinc/20/46/95/192204695.db2.gz ZGXVKPYQMJDBKA-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420299671 192207452 /nfs/dbraw/zinc/20/74/52/192207452.db2.gz BGFVJVVUQSUFBK-SDDRHHMPSA-N 2 1 240.347 0.997 20 0 BCADMP COC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420318927 192195814 /nfs/dbraw/zinc/19/58/14/192195814.db2.gz QQZNVNMINDIRLY-ZYHUDNBSSA-N 2 1 240.347 0.869 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420284878 192199612 /nfs/dbraw/zinc/19/96/12/192199612.db2.gz CYGYJSLPIZWYEE-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420284878 192199614 /nfs/dbraw/zinc/19/96/14/192199614.db2.gz CYGYJSLPIZWYEE-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617751762 356310954 /nfs/dbraw/zinc/31/09/54/356310954.db2.gz CGUYRWAGFRYXND-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617752370 356311530 /nfs/dbraw/zinc/31/15/30/356311530.db2.gz MVTNLYLTGSLJDX-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000617752993 356312326 /nfs/dbraw/zinc/31/23/26/356312326.db2.gz YOSZMPKBFUIBNS-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000617752991 356312414 /nfs/dbraw/zinc/31/24/14/356312414.db2.gz YOSZMPKBFUIBNS-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420294129 192202636 /nfs/dbraw/zinc/20/26/36/192202636.db2.gz SLIWOBNOTXABAX-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420291930 192202803 /nfs/dbraw/zinc/20/28/03/192202803.db2.gz OPFFSRDJMUQDAM-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420293555 192202892 /nfs/dbraw/zinc/20/28/92/192202892.db2.gz RGBGYLVCDSPYJU-NSHDSACASA-N 2 1 214.309 0.657 20 0 BCADMP NC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420293234 192203094 /nfs/dbraw/zinc/20/30/94/192203094.db2.gz MVNDYNRSTGLXBZ-VXGBXAGGSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420293234 192203097 /nfs/dbraw/zinc/20/30/97/192203097.db2.gz MVNDYNRSTGLXBZ-VXGBXAGGSA-N 2 1 211.353 0.799 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCCC[C@@H]2C[NH3+])CCO1 ZINC000420291839 192203368 /nfs/dbraw/zinc/20/33/68/192203368.db2.gz LFGVMYKNEJYEGL-CHWSQXEVSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC[C@@H]2C[NH3+])CCO1 ZINC000420291839 192203370 /nfs/dbraw/zinc/20/33/70/192203370.db2.gz LFGVMYKNEJYEGL-CHWSQXEVSA-N 2 1 241.379 0.520 20 0 BCADMP COC(=O)CC1(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000420318421 192214975 /nfs/dbraw/zinc/21/49/75/192214975.db2.gz OALOFQIJEYQSDE-WDEREUQCSA-N 2 1 240.347 0.999 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345097 192216426 /nfs/dbraw/zinc/21/64/26/192216426.db2.gz VFOQUKWOILBPGC-TXEJJXNPSA-N 2 1 240.347 0.871 20 0 BCADMP C[NH2+]CCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000420352382 192217313 /nfs/dbraw/zinc/21/73/13/192217313.db2.gz AKIVSFVTTJCKFA-UHFFFAOYSA-N 2 1 248.374 0.809 20 0 BCADMP C[C@@H]1CN(CC[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353396 192217623 /nfs/dbraw/zinc/21/76/23/192217623.db2.gz BUZZADHEZVKPKP-VXGBXAGGSA-N 2 1 243.395 0.670 20 0 BCADMP CN(CC[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420350513 192218369 /nfs/dbraw/zinc/21/83/69/192218369.db2.gz HECANKAQYUXGDP-CYBMUJFWSA-N 2 1 237.347 0.374 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000420353692 192218485 /nfs/dbraw/zinc/21/84/85/192218485.db2.gz BXBCEOHNKCRNGS-NSHDSACASA-N 2 1 244.335 0.237 20 0 BCADMP C[C@@H]1C[N@H+](CCN2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000420306471 192208258 /nfs/dbraw/zinc/20/82/58/192208258.db2.gz HOWIEHKRVUEUJO-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000420306471 192208261 /nfs/dbraw/zinc/20/82/61/192208261.db2.gz HOWIEHKRVUEUJO-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000182671985 181267745 /nfs/dbraw/zinc/26/77/45/181267745.db2.gz RHUNWIFDVSWFAU-NSHDSACASA-N 2 1 236.319 0.613 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420309691 192210667 /nfs/dbraw/zinc/21/06/67/192210667.db2.gz FBOOAVCIVIXEDD-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420308624 192211431 /nfs/dbraw/zinc/21/14/31/192211431.db2.gz DAQHXNWZTIYRLR-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420308624 192211433 /nfs/dbraw/zinc/21/14/33/192211433.db2.gz DAQHXNWZTIYRLR-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420323484 192227070 /nfs/dbraw/zinc/22/70/70/192227070.db2.gz YCQAIGCKQZFFID-NWDGAFQWSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420323484 192227071 /nfs/dbraw/zinc/22/70/71/192227071.db2.gz YCQAIGCKQZFFID-NWDGAFQWSA-N 2 1 240.347 0.869 20 0 BCADMP CCOC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420321538 192227414 /nfs/dbraw/zinc/22/74/14/192227414.db2.gz CQAAWOXBNBPOET-UHFFFAOYSA-N 2 1 214.309 0.753 20 0 BCADMP CCOC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420321538 192227415 /nfs/dbraw/zinc/22/74/15/192227415.db2.gz CQAAWOXBNBPOET-UHFFFAOYSA-N 2 1 214.309 0.753 20 0 BCADMP COC(=O)CCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420327275 192228835 /nfs/dbraw/zinc/22/88/35/192228835.db2.gz YBSLVXLALKUNEV-LLVKDONJSA-N 2 1 216.325 0.903 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329522 192228996 /nfs/dbraw/zinc/22/89/96/192228996.db2.gz OMOGCSYQJDKUAY-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420328929 192229175 /nfs/dbraw/zinc/22/91/75/192229175.db2.gz IJBQTTWCRLNQJY-UHFFFAOYSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1cccn1 ZINC000420372212 192229517 /nfs/dbraw/zinc/22/95/17/192229517.db2.gz QBHDIDKHAAURHM-GRYCIOLGSA-N 2 1 222.336 0.859 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420327569 192229557 /nfs/dbraw/zinc/22/95/57/192229557.db2.gz DFEQHLRPSVIJOE-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420327569 192229559 /nfs/dbraw/zinc/22/95/59/192229559.db2.gz DFEQHLRPSVIJOE-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCn1cccn1 ZINC000420363835 192224770 /nfs/dbraw/zinc/22/47/70/192224770.db2.gz OFSQEDDGDPLYQP-JTQLQIEISA-N 2 1 210.325 0.846 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCC(=O)OC(C)C ZINC000420388779 192234588 /nfs/dbraw/zinc/23/45/88/192234588.db2.gz MSRIIIHUIWSGLO-UHFFFAOYSA-N 2 1 216.325 0.869 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCN1CCOCC1 ZINC000420383029 192235576 /nfs/dbraw/zinc/23/55/76/192235576.db2.gz AZYWIUXMQGKWFE-UHFFFAOYSA-N 2 1 229.368 0.250 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389688 192235770 /nfs/dbraw/zinc/23/57/70/192235770.db2.gz MIIZWWZEGVSXSZ-OLZOCXBDSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415820 192240455 /nfs/dbraw/zinc/24/04/55/192240455.db2.gz VIKCKHBHBULERH-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420418596 192241145 /nfs/dbraw/zinc/24/11/45/192241145.db2.gz XAHWVMOAWHTMNA-MNOVXSKESA-N 2 1 228.336 0.856 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420373169 192231729 /nfs/dbraw/zinc/23/17/29/192231729.db2.gz QWKKHTPIOZPSJP-NTZNESFSSA-N 2 1 241.379 0.831 20 0 BCADMP CCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375126 192232310 /nfs/dbraw/zinc/23/23/10/192232310.db2.gz SPUYDLNMBUUWBZ-OUAUKWLOSA-N 2 1 200.326 0.999 20 0 BCADMP CCOC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420378831 192232755 /nfs/dbraw/zinc/23/27/55/192232755.db2.gz QQZGTBYSMITHQR-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)CCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420378831 192232756 /nfs/dbraw/zinc/23/27/56/192232756.db2.gz QQZGTBYSMITHQR-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP Cn1cncc1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000639554164 356456695 /nfs/dbraw/zinc/45/66/95/356456695.db2.gz BMMRDZKUEFKNKT-LBPRGKRZSA-N 2 1 248.330 0.269 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000019410485 356483036 /nfs/dbraw/zinc/48/30/36/356483036.db2.gz SQBABFGMOLMWST-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000019487553 356483507 /nfs/dbraw/zinc/48/35/07/356483507.db2.gz SROXFXQRPDNYOJ-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000192969402 356491256 /nfs/dbraw/zinc/49/12/56/356491256.db2.gz DPPWVWYQPZZRBS-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP NC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000043497614 181280749 /nfs/dbraw/zinc/28/07/49/181280749.db2.gz QPLMTCHMWWDONA-NSHDSACASA-N 2 1 225.336 0.183 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000639628979 356544949 /nfs/dbraw/zinc/54/49/49/356544949.db2.gz SZUPGWLLYQZDPI-NSHDSACASA-N 2 1 227.283 0.369 20 0 BCADMP Cn1cncc1CCN1CC[C@@](F)(CO)C1 ZINC000639628979 356544951 /nfs/dbraw/zinc/54/49/51/356544951.db2.gz SZUPGWLLYQZDPI-NSHDSACASA-N 2 1 227.283 0.369 20 0 BCADMP CC[N@@H+]1CCN(CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000639642480 356555485 /nfs/dbraw/zinc/55/54/85/356555485.db2.gz SBZKFTYKVVVCPD-LBPRGKRZSA-N 2 1 236.363 0.989 20 0 BCADMP CC[N@H+]1CCN(CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000639642480 356555486 /nfs/dbraw/zinc/55/54/86/356555486.db2.gz SBZKFTYKVVVCPD-LBPRGKRZSA-N 2 1 236.363 0.989 20 0 BCADMP OCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682239 356592594 /nfs/dbraw/zinc/59/25/94/356592594.db2.gz OORVWTGCQSZGAX-UHFFFAOYSA-N 2 1 235.331 0.976 20 0 BCADMP CNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682204 356592766 /nfs/dbraw/zinc/59/27/66/356592766.db2.gz MRGUJMMFYZQCQE-UHFFFAOYSA-N 2 1 248.330 0.340 20 0 BCADMP CNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682204 356592767 /nfs/dbraw/zinc/59/27/67/356592767.db2.gz MRGUJMMFYZQCQE-UHFFFAOYSA-N 2 1 248.330 0.340 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000630092580 363516165 /nfs/dbraw/zinc/51/61/65/363516165.db2.gz RESAUSDFTISCKN-YPMHNXCESA-N 2 1 248.330 0.531 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000379918732 538462005 /nfs/dbraw/zinc/46/20/05/538462005.db2.gz FTQBBLKQBUQIQY-NSHDSACASA-N 2 1 230.377 0.538 20 0 BCADMP Cn1cnnc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757424 356663683 /nfs/dbraw/zinc/66/36/83/356663683.db2.gz LSQUUMUCOWYFEJ-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757424 356663686 /nfs/dbraw/zinc/66/36/86/356663686.db2.gz LSQUUMUCOWYFEJ-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP CC(C)[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761938 356680195 /nfs/dbraw/zinc/68/01/95/356680195.db2.gz IBGZQFRUPZSOOE-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761938 356680200 /nfs/dbraw/zinc/68/02/00/356680200.db2.gz IBGZQFRUPZSOOE-OLZOCXBDSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1C[NH3+] ZINC000167671132 134153725 /nfs/dbraw/zinc/15/37/25/134153725.db2.gz FQHIFZZBPMDKBC-UWVGGRQHSA-N 2 1 200.326 0.674 20 0 BCADMP CCOCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762933 356687578 /nfs/dbraw/zinc/68/75/78/356687578.db2.gz PIHFUHLCBWQGBP-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CN(C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000639764626 356690777 /nfs/dbraw/zinc/69/07/77/356690777.db2.gz HQCQLBDDVCBJEV-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000639764626 356690783 /nfs/dbraw/zinc/69/07/83/356690783.db2.gz HQCQLBDDVCBJEV-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000639764626 356690786 /nfs/dbraw/zinc/69/07/86/356690786.db2.gz HQCQLBDDVCBJEV-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP COCC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639766081 356696260 /nfs/dbraw/zinc/69/62/60/356696260.db2.gz LMTDQMSBHZSMSG-NSHDSACASA-N 2 1 216.325 0.021 20 0 BCADMP COCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766081 356696265 /nfs/dbraw/zinc/69/62/65/356696265.db2.gz LMTDQMSBHZSMSG-NSHDSACASA-N 2 1 216.325 0.021 20 0 BCADMP COCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766081 356696269 /nfs/dbraw/zinc/69/62/69/356696269.db2.gz LMTDQMSBHZSMSG-NSHDSACASA-N 2 1 216.325 0.021 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000034754765 356703226 /nfs/dbraw/zinc/70/32/26/356703226.db2.gz QNCTYLPLEIVUAZ-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCC(=O)N(C)C)CC1 ZINC000354240500 356732932 /nfs/dbraw/zinc/73/29/32/356732932.db2.gz RENNQHJRNNPZCX-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)N(C)C)CC1 ZINC000354240500 356732935 /nfs/dbraw/zinc/73/29/35/356732935.db2.gz RENNQHJRNNPZCX-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623340731 356739040 /nfs/dbraw/zinc/73/90/40/356739040.db2.gz VPKFBXHRYAJSKR-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623340731 356739042 /nfs/dbraw/zinc/73/90/42/356739042.db2.gz VPKFBXHRYAJSKR-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623340730 356739082 /nfs/dbraw/zinc/73/90/82/356739082.db2.gz VPKFBXHRYAJSKR-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623340730 356739083 /nfs/dbraw/zinc/73/90/83/356739083.db2.gz VPKFBXHRYAJSKR-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000357245508 356820415 /nfs/dbraw/zinc/82/04/15/356820415.db2.gz VDFVQQYQTLQBDF-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373257 356882890 /nfs/dbraw/zinc/88/28/90/356882890.db2.gz YJRDYOPIXZDDFC-ZJUUUORDSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188017 /nfs/dbraw/zinc/18/80/17/202188017.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]nn3)CC[C@@H]21 ZINC000450498942 202188021 /nfs/dbraw/zinc/18/80/21/202188021.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH]nn3)CC[C@@H]21 ZINC000450498942 202188025 /nfs/dbraw/zinc/18/80/25/202188025.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@]1(CO)CCOC1 ZINC000359579250 356891173 /nfs/dbraw/zinc/89/11/73/356891173.db2.gz JMJMUZRRARTJCX-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@]1(CO)CCOC1 ZINC000359579250 356891177 /nfs/dbraw/zinc/89/11/77/356891177.db2.gz JMJMUZRRARTJCX-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@]1(CO)CCOC1 ZINC000359579250 356891184 /nfs/dbraw/zinc/89/11/84/356891184.db2.gz JMJMUZRRARTJCX-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@]1(CO)CCOC1 ZINC000359579250 356891186 /nfs/dbraw/zinc/89/11/86/356891186.db2.gz JMJMUZRRARTJCX-OLZOCXBDSA-N 2 1 242.363 0.554 20 0 BCADMP [NH3+]CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000418114710 356953665 /nfs/dbraw/zinc/95/36/65/356953665.db2.gz MGMPILQINPHFPS-LLVKDONJSA-N 2 1 240.351 0.261 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@H]1CO ZINC000639871930 357039479 /nfs/dbraw/zinc/03/94/79/357039479.db2.gz MHEDWEKRFZDYTC-OLZOCXBDSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)C[C@H]1CO ZINC000639871930 357039480 /nfs/dbraw/zinc/03/94/80/357039480.db2.gz MHEDWEKRFZDYTC-OLZOCXBDSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)C[C@H]1CO ZINC000639871930 357039481 /nfs/dbraw/zinc/03/94/81/357039481.db2.gz MHEDWEKRFZDYTC-OLZOCXBDSA-N 2 1 241.379 0.079 20 0 BCADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423219934 192631835 /nfs/dbraw/zinc/63/18/35/192631835.db2.gz WYLODCWLDMEPTI-WISYIIOYSA-N 2 1 222.332 0.896 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000582359209 357103123 /nfs/dbraw/zinc/10/31/23/357103123.db2.gz XUCVTDBFJPZWHK-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000392360977 357147717 /nfs/dbraw/zinc/14/77/17/357147717.db2.gz BGKPTGSJJONGGJ-ZJUUUORDSA-N 2 1 223.324 0.515 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000393887394 357305755 /nfs/dbraw/zinc/30/57/55/357305755.db2.gz VCDZRFXZGJOCHM-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000393887394 357305760 /nfs/dbraw/zinc/30/57/60/357305760.db2.gz VCDZRFXZGJOCHM-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000393887394 357305763 /nfs/dbraw/zinc/30/57/63/357305763.db2.gz VCDZRFXZGJOCHM-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000393887394 357305767 /nfs/dbraw/zinc/30/57/67/357305767.db2.gz VCDZRFXZGJOCHM-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392880599 357260852 /nfs/dbraw/zinc/26/08/52/357260852.db2.gz IJMCKBAYNXXALT-LLVKDONJSA-N 2 1 225.336 0.492 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247014 357403917 /nfs/dbraw/zinc/40/39/17/357403917.db2.gz RHXPHGOBIQTNCB-SECBINFHSA-N 2 1 200.282 0.220 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623408370 357404620 /nfs/dbraw/zinc/40/46/20/357404620.db2.gz SXYBYENYOHYGAV-XEZLXBQYSA-N 2 1 226.364 0.933 20 0 BCADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CSC[NH2+]1 ZINC000230710803 357572731 /nfs/dbraw/zinc/57/27/31/357572731.db2.gz GHYRUSJJDAJYCH-SNVBAGLBSA-N 2 1 245.392 0.449 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCCOC ZINC000397457824 357514578 /nfs/dbraw/zinc/51/45/78/357514578.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCOC ZINC000397457824 357514580 /nfs/dbraw/zinc/51/45/80/357514580.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCCOC ZINC000397457824 357514582 /nfs/dbraw/zinc/51/45/82/357514582.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCOC ZINC000397457824 357514585 /nfs/dbraw/zinc/51/45/85/357514585.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 2 1 232.368 0.657 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086066969 357810148 /nfs/dbraw/zinc/81/01/48/357810148.db2.gz SRNOAJDSBCWREZ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000168505062 134224909 /nfs/dbraw/zinc/22/49/09/134224909.db2.gz SEUGNCRJFHNAFQ-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000168505062 134224910 /nfs/dbraw/zinc/22/49/10/134224910.db2.gz SEUGNCRJFHNAFQ-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000168561372 134226478 /nfs/dbraw/zinc/22/64/78/134226478.db2.gz DVDOPQNUPWRGKE-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000168561372 134226479 /nfs/dbraw/zinc/22/64/79/134226479.db2.gz DVDOPQNUPWRGKE-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000168572401 134226967 /nfs/dbraw/zinc/22/69/67/134226967.db2.gz QHMAEPNGKSNXPF-GFCCVEGCSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398526127 357887489 /nfs/dbraw/zinc/88/74/89/357887489.db2.gz VPTSGEPKCSYDEL-NWDGAFQWSA-N 2 1 232.368 0.296 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398645747 357888923 /nfs/dbraw/zinc/88/89/23/357888923.db2.gz WYLVDWMINFGXIN-GVXVVHGQSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398645747 357888928 /nfs/dbraw/zinc/88/89/28/357888928.db2.gz WYLVDWMINFGXIN-GVXVVHGQSA-N 2 1 244.379 0.438 20 0 BCADMP C[NH2+]CCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000583323067 357904905 /nfs/dbraw/zinc/90/49/05/357904905.db2.gz ZCWPUYGJQYGWPH-UHFFFAOYSA-N 2 1 242.363 0.725 20 0 BCADMP C[C@H]1C[C@H](C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000235678326 357928126 /nfs/dbraw/zinc/92/81/26/357928126.db2.gz IXQMZZOYVCLSAY-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@](C)(CO)[NH2+]CCCn1cc[nH+]c1C ZINC000639957980 357981613 /nfs/dbraw/zinc/98/16/13/357981613.db2.gz XYMIBVACNGCCLA-LBPRGKRZSA-N 2 1 241.335 0.569 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000584473254 357990432 /nfs/dbraw/zinc/99/04/32/357990432.db2.gz VHIMYNIOGKOSRX-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000133645720 325306021 /nfs/dbraw/zinc/30/60/21/325306021.db2.gz YCUKUQBTCGTFEB-QWRGUYRKSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000334458323 491118892 /nfs/dbraw/zinc/11/88/92/491118892.db2.gz JVSMCMGEHPNNTC-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000219924869 358011154 /nfs/dbraw/zinc/01/11/54/358011154.db2.gz UXIBSAZXAHEEHK-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP COC(=O)CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300871 358019034 /nfs/dbraw/zinc/01/90/34/358019034.db2.gz WFYXWJWWPQYVJI-UHFFFAOYSA-N 2 1 214.309 0.623 20 0 BCADMP O=C(C[NH2+]C1CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649673 358084752 /nfs/dbraw/zinc/08/47/52/358084752.db2.gz BPPPJKGCDSUQHM-JTQLQIEISA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1cncn1 ZINC000583874755 358093732 /nfs/dbraw/zinc/09/37/32/358093732.db2.gz IAFYDLJCIGTLJL-MXWKQRLJSA-N 2 1 223.324 0.254 20 0 BCADMP Cn1cc([C@H](CO)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000584665234 358126278 /nfs/dbraw/zinc/12/62/78/358126278.db2.gz FNQWTJSUMOPRIA-SRVKXCTJSA-N 2 1 238.335 0.313 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631669022 358184132 /nfs/dbraw/zinc/18/41/32/358184132.db2.gz NXYHAALTQKBNNO-KLPPZKSPSA-N 2 1 212.337 0.831 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584850669 358209400 /nfs/dbraw/zinc/20/94/00/358209400.db2.gz QFLDGONIUYMNQH-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584850669 358209403 /nfs/dbraw/zinc/20/94/03/358209403.db2.gz QFLDGONIUYMNQH-CHWSQXEVSA-N 3 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584850669 358209405 /nfs/dbraw/zinc/20/94/05/358209405.db2.gz QFLDGONIUYMNQH-CHWSQXEVSA-N 3 1 243.395 0.814 20 0 BCADMP COCCN(C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584850669 358209407 /nfs/dbraw/zinc/20/94/07/358209407.db2.gz QFLDGONIUYMNQH-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000040601624 358242905 /nfs/dbraw/zinc/24/29/05/358242905.db2.gz OAFWLECCLFEVPE-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226422928 358339195 /nfs/dbraw/zinc/33/91/95/358339195.db2.gz GHRCDYQKIINECV-FRRDWIJNSA-N 2 1 242.363 0.994 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226422928 358339199 /nfs/dbraw/zinc/33/91/99/358339199.db2.gz GHRCDYQKIINECV-FRRDWIJNSA-N 2 1 242.363 0.994 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000226640304 358342936 /nfs/dbraw/zinc/34/29/36/358342936.db2.gz UZTBHLPWMZOPCH-MNOVXSKESA-N 2 1 200.326 0.810 20 0 BCADMP C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043427995 358375689 /nfs/dbraw/zinc/37/56/89/358375689.db2.gz PFQVVSKRPSYPQJ-STQMWFEESA-N 2 1 239.363 0.145 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538933 358390498 /nfs/dbraw/zinc/39/04/98/358390498.db2.gz YRRBAEBKCVGKKH-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538949 358390741 /nfs/dbraw/zinc/39/07/41/358390741.db2.gz ORJBPYUBWUAQRZ-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948563 358412358 /nfs/dbraw/zinc/41/23/58/358412358.db2.gz XSZFDUMJWPOJSW-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948563 358412361 /nfs/dbraw/zinc/41/23/61/358412361.db2.gz XSZFDUMJWPOJSW-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427567 358437499 /nfs/dbraw/zinc/43/74/99/358437499.db2.gz DFQKODREZNSWOO-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044808503 358555304 /nfs/dbraw/zinc/55/53/04/358555304.db2.gz NNTYKIKJIUBFHF-JQWIXIFHSA-N 2 1 239.363 0.570 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000086270690 358567492 /nfs/dbraw/zinc/56/74/92/358567492.db2.gz LJAWZFOCMUHUOJ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086271851 358573649 /nfs/dbraw/zinc/57/36/49/358573649.db2.gz ZMTSMNAXMBASTK-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP CCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919346 358767405 /nfs/dbraw/zinc/76/74/05/358767405.db2.gz LWRRLTXNGFYKQW-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000578240109 366468398 /nfs/dbraw/zinc/46/83/98/366468398.db2.gz HOXJHKLGBVDTNR-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298608 358821377 /nfs/dbraw/zinc/82/13/77/358821377.db2.gz IGEDLMURLLBQND-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCCC[N@@H+](C)CC1CC[NH+](CC(N)=O)CC1 ZINC000052209340 358776239 /nfs/dbraw/zinc/77/62/39/358776239.db2.gz LEUKPKZMQFEKDC-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COC)CC1 ZINC000177050620 134294332 /nfs/dbraw/zinc/29/43/32/134294332.db2.gz BIPTTWDRDJUPFT-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC[NH2+]C ZINC000220046150 134298771 /nfs/dbraw/zinc/29/87/71/134298771.db2.gz BRQLAUCASFYKFS-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP CN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402729 358966813 /nfs/dbraw/zinc/96/68/13/358966813.db2.gz OATUVQZPPOPFEH-ZYHUDNBSSA-N 2 1 211.353 0.940 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247076693 359192731 /nfs/dbraw/zinc/19/27/31/359192731.db2.gz HRDOBUXIRUCKIB-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247944452 359249980 /nfs/dbraw/zinc/24/99/80/359249980.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247944452 359249983 /nfs/dbraw/zinc/24/99/83/359249983.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247944452 359249989 /nfs/dbraw/zinc/24/99/89/359249989.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@H](COC)C1CC1 ZINC000423375345 192753714 /nfs/dbraw/zinc/75/37/14/192753714.db2.gz IQZKCLAFSYZEAP-MWLCHTKSSA-N 2 1 200.326 0.999 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000308924518 491140318 /nfs/dbraw/zinc/14/03/18/491140318.db2.gz HVTYVDKJBOLYSK-GFCCVEGCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2(N(C)C)CC2)C1 ZINC000611748776 359441767 /nfs/dbraw/zinc/44/17/67/359441767.db2.gz ABOSJLFAJVDOJF-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)C1 ZINC000611748776 359441776 /nfs/dbraw/zinc/44/17/76/359441776.db2.gz ABOSJLFAJVDOJF-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000379609504 359566628 /nfs/dbraw/zinc/56/66/28/359566628.db2.gz SHFKVNCYYWLTOG-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000379609504 359566634 /nfs/dbraw/zinc/56/66/34/359566634.db2.gz SHFKVNCYYWLTOG-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000379605830 359565173 /nfs/dbraw/zinc/56/51/73/359565173.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000379605830 359565175 /nfs/dbraw/zinc/56/51/75/359565175.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C ZINC000379605830 359565181 /nfs/dbraw/zinc/56/51/81/359565181.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C ZINC000379605830 359565187 /nfs/dbraw/zinc/56/51/87/359565187.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454902 359616163 /nfs/dbraw/zinc/61/61/63/359616163.db2.gz SZUJMUSPYWWFGH-UWVGGRQHSA-N 2 1 227.352 0.713 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000141514771 359603798 /nfs/dbraw/zinc/60/37/98/359603798.db2.gz QWHJUWUCVOARMY-NSHDSACASA-N 2 1 226.320 0.623 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423949944 192849166 /nfs/dbraw/zinc/84/91/66/192849166.db2.gz NNOAAPLCBAEDGI-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854438 202289492 /nfs/dbraw/zinc/28/94/92/202289492.db2.gz KLCNMKGAXSWLIT-OLZOCXBDSA-N 2 1 242.363 0.743 20 0 BCADMP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854438 202289495 /nfs/dbraw/zinc/28/94/95/202289495.db2.gz KLCNMKGAXSWLIT-OLZOCXBDSA-N 2 1 242.363 0.743 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000578442147 366569799 /nfs/dbraw/zinc/56/97/99/366569799.db2.gz AFCZGMIJJOXPNX-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000578669031 366624526 /nfs/dbraw/zinc/62/45/26/366624526.db2.gz YMRVPPQQXDWITM-IJLUTSLNSA-N 3 1 227.352 0.224 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000578669030 366624539 /nfs/dbraw/zinc/62/45/39/366624539.db2.gz YMRVPPQQXDWITM-GRYCIOLGSA-N 3 1 227.352 0.224 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164069 359939043 /nfs/dbraw/zinc/93/90/43/359939043.db2.gz GOTHRLBHJGBXLL-WAAKLRNESA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000578877898 366664507 /nfs/dbraw/zinc/66/45/07/366664507.db2.gz KZLOFSLOKUTXAJ-DTWKUNHWSA-N 2 1 249.305 0.475 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662301 360122333 /nfs/dbraw/zinc/12/23/33/360122333.db2.gz GHJNSRFACDLRMX-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662301 360122335 /nfs/dbraw/zinc/12/23/35/360122335.db2.gz GHJNSRFACDLRMX-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)COC1 ZINC000091668458 360123230 /nfs/dbraw/zinc/12/32/30/360123230.db2.gz KJBRTVHHOFOSIC-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)COC1 ZINC000091668458 360123233 /nfs/dbraw/zinc/12/32/33/360123233.db2.gz KJBRTVHHOFOSIC-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875061 360135237 /nfs/dbraw/zinc/13/52/37/360135237.db2.gz BWHGQQDWAIHYRG-ZYHUDNBSSA-N 2 1 240.351 0.132 20 0 BCADMP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000614038820 363713955 /nfs/dbraw/zinc/71/39/55/363713955.db2.gz DLNBGIGEGDNHPB-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309458107 491148579 /nfs/dbraw/zinc/14/85/79/491148579.db2.gz NBTINQHPAKAHMJ-JHJVBQTASA-N 3 1 223.364 0.622 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148587 /nfs/dbraw/zinc/14/85/87/491148587.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 1 223.364 0.622 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000306588950 360494746 /nfs/dbraw/zinc/49/47/46/360494746.db2.gz WGPXBAIVRMIXDW-RCWTZXSCSA-N 2 1 200.326 0.672 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000626950236 360529924 /nfs/dbraw/zinc/52/99/24/360529924.db2.gz NKKRQOZNICVOBU-GARJFASQSA-N 2 1 240.351 0.130 20 0 BCADMP COC(=O)CCCC[N@H+]1CCC[NH2+]CC1 ZINC000238327002 360875979 /nfs/dbraw/zinc/87/59/79/360875979.db2.gz XNIMKGJRAMTTDK-UHFFFAOYSA-N 2 1 214.309 0.625 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407436 361056394 /nfs/dbraw/zinc/05/63/94/361056394.db2.gz ACXDNYALSGTKEW-LYIQGSDWSA-N 2 1 223.364 0.809 20 0 BCADMP Cc1n[nH]c(C)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629388220 361040426 /nfs/dbraw/zinc/04/04/26/361040426.db2.gz OVEAEBPRFVWIIE-UHFFFAOYSA-N 2 1 238.335 0.624 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629405899 361053969 /nfs/dbraw/zinc/05/39/69/361053969.db2.gz XHNCYPJOWKGGDH-QWHCGFSZSA-N 3 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629405899 361053974 /nfs/dbraw/zinc/05/39/74/361053974.db2.gz XHNCYPJOWKGGDH-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629405899 361053978 /nfs/dbraw/zinc/05/39/78/361053978.db2.gz XHNCYPJOWKGGDH-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000629518368 361118202 /nfs/dbraw/zinc/11/82/02/361118202.db2.gz HWJYSHVBPBOGHA-SRVKXCTJSA-N 2 1 249.362 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000629518368 361118205 /nfs/dbraw/zinc/11/82/05/361118205.db2.gz HWJYSHVBPBOGHA-SRVKXCTJSA-N 2 1 249.362 0.776 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629519622 361120700 /nfs/dbraw/zinc/12/07/00/361120700.db2.gz DVLDIWJCWKBQBC-VXGBXAGGSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629519697 361120770 /nfs/dbraw/zinc/12/07/70/361120770.db2.gz HJSLVZYJLPHDKU-UWVGGRQHSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184983 200881029 /nfs/dbraw/zinc/88/10/29/200881029.db2.gz YXFJVGNWGXUEEV-CHWFTXMASA-N 2 1 225.336 0.132 20 0 BCADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000629519872 361120418 /nfs/dbraw/zinc/12/04/18/361120418.db2.gz RRVPKEYWBUVIMU-LOWDOPEQSA-N 2 1 241.379 0.423 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629517070 361115058 /nfs/dbraw/zinc/11/50/58/361115058.db2.gz ZVIMKHHWAIWXOX-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(C)(C)C ZINC000629517070 361115064 /nfs/dbraw/zinc/11/50/64/361115064.db2.gz ZVIMKHHWAIWXOX-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000629527809 361133998 /nfs/dbraw/zinc/13/39/98/361133998.db2.gz GTMFBGSKBZUBSD-SDDRHHMPSA-N 3 1 229.368 0.470 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000037812674 181324786 /nfs/dbraw/zinc/32/47/86/181324786.db2.gz FBJVKZARVRRAPM-NSHDSACASA-N 2 1 237.347 0.565 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000629523160 361124318 /nfs/dbraw/zinc/12/43/18/361124318.db2.gz AIYVHAQDHMZJAR-WTTBSCSTSA-N 2 1 245.326 0.985 20 0 BCADMP OC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000629534099 361164634 /nfs/dbraw/zinc/16/46/34/361164634.db2.gz LVJSGTKLISBYAP-RYUDHWBXSA-N 2 1 240.347 0.212 20 0 BCADMP OC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CCOCC1 ZINC000629534099 361164643 /nfs/dbraw/zinc/16/46/43/361164643.db2.gz LVJSGTKLISBYAP-RYUDHWBXSA-N 2 1 240.347 0.212 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107035 366711779 /nfs/dbraw/zinc/71/17/79/366711779.db2.gz AQHIGPCPSQPERB-BXKDBHETSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428195255 201001285 /nfs/dbraw/zinc/00/12/85/201001285.db2.gz HNJAUJLZAJBEEV-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000428313448 201008011 /nfs/dbraw/zinc/00/80/11/201008011.db2.gz QLNHBVQRZXBAHU-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)(O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579241625 366743415 /nfs/dbraw/zinc/74/34/15/366743415.db2.gz XRURSMACUXSPMT-LLVKDONJSA-N 2 1 242.363 0.445 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000428473045 201021735 /nfs/dbraw/zinc/02/17/35/201021735.db2.gz CXAZZQUQLRSCKJ-PHIMTYICSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cnccc1N ZINC000622044966 370674364 /nfs/dbraw/zinc/67/43/64/370674364.db2.gz YXDBVQKZFGSQQC-DTWKUNHWSA-N 2 1 208.309 0.882 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000428474415 201022551 /nfs/dbraw/zinc/02/25/51/201022551.db2.gz KIIFKSWXOIPIGK-GFCCVEGCSA-N 2 1 249.314 0.127 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000428731726 201038976 /nfs/dbraw/zinc/03/89/76/201038976.db2.gz MKKGFRRHWUTPGY-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429112241 201068804 /nfs/dbraw/zinc/06/88/04/201068804.db2.gz ILDPTWLGRTYAMZ-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000428978121 201055070 /nfs/dbraw/zinc/05/50/70/201055070.db2.gz NLMLVSYQMKALSZ-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429101016 201065333 /nfs/dbraw/zinc/06/53/33/201065333.db2.gz VWPIFNYVKCPJIQ-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH2+]C1 ZINC000429098063 201066391 /nfs/dbraw/zinc/06/63/91/201066391.db2.gz JPNOUEIKMQSVIF-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429104436 201067598 /nfs/dbraw/zinc/06/75/98/201067598.db2.gz OULCBUMIQJMFGQ-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429101011 201068428 /nfs/dbraw/zinc/06/84/28/201068428.db2.gz VWPIFNYVKCPJIQ-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000429454394 201109098 /nfs/dbraw/zinc/10/90/98/201109098.db2.gz TXKZJABWEKOZMS-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556876 201114315 /nfs/dbraw/zinc/11/43/15/201114315.db2.gz ZEWMPQSUWCNWRK-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC1(C)CC(C[N@@H+](CCN)C[C@H](O)CO)C1 ZINC000629543439 361411717 /nfs/dbraw/zinc/41/17/17/361411717.db2.gz BMMMXRPWNSRDIL-NSHDSACASA-N 2 1 230.352 0.037 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC([NH3+])(CC)CC ZINC000429661768 201124209 /nfs/dbraw/zinc/12/42/09/201124209.db2.gz XLBVKEAOATZDIS-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CC[C@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629544597 361422870 /nfs/dbraw/zinc/42/28/70/361422870.db2.gz JNRCVCYLOYHUKT-AGIUHOORSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629546177 361427421 /nfs/dbraw/zinc/42/74/21/361427421.db2.gz OXUHRYAHHXSKNE-UPJWGTAASA-N 2 1 241.379 0.031 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629546177 361427426 /nfs/dbraw/zinc/42/74/26/361427426.db2.gz OXUHRYAHHXSKNE-UPJWGTAASA-N 2 1 241.379 0.031 20 0 BCADMP CC[N@H+](CCN)CCC(=O)NC1CCCC1 ZINC000629555996 361449119 /nfs/dbraw/zinc/44/91/19/361449119.db2.gz BRROYFTZOPXQAG-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CC[N@@H+](CCN)CCC(=O)NC1CCCC1 ZINC000629555996 361449125 /nfs/dbraw/zinc/44/91/25/361449125.db2.gz BRROYFTZOPXQAG-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000629553023 361437796 /nfs/dbraw/zinc/43/77/96/361437796.db2.gz GBNGCPJKEUEIEF-VHSXEESVSA-N 2 1 223.324 0.353 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000629553181 361438136 /nfs/dbraw/zinc/43/81/36/361438136.db2.gz MBGGKNZFLIYUMS-VXGBXAGGSA-N 2 1 228.336 0.380 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629549441 361441504 /nfs/dbraw/zinc/44/15/04/361441504.db2.gz VOUPBQSBSPSVOK-WRWGMCAJSA-N 2 1 211.353 0.809 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556388 361449646 /nfs/dbraw/zinc/44/96/46/361449646.db2.gz OXUHRYAHHXSKNE-AVGNSLFASA-N 2 1 241.379 0.031 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556388 361449654 /nfs/dbraw/zinc/44/96/54/361449654.db2.gz OXUHRYAHHXSKNE-AVGNSLFASA-N 2 1 241.379 0.031 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556129 361448239 /nfs/dbraw/zinc/44/82/39/361448239.db2.gz KMLIQQBINDZTAG-RWMBFGLXSA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556129 361448245 /nfs/dbraw/zinc/44/82/45/361448245.db2.gz KMLIQQBINDZTAG-RWMBFGLXSA-N 2 1 241.379 0.160 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccn1 ZINC000629570126 361459639 /nfs/dbraw/zinc/45/96/39/361459639.db2.gz IIUFQXIPIOJQNN-UHFFFAOYSA-N 2 1 223.320 0.749 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccncc1 ZINC000629570463 361460233 /nfs/dbraw/zinc/46/02/33/361460233.db2.gz KWPKWSZGBRHVJN-UHFFFAOYSA-N 2 1 223.320 0.749 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCCOC ZINC000629570460 361460625 /nfs/dbraw/zinc/46/06/25/361460625.db2.gz KTDUFSXQZPMJJE-UHFFFAOYSA-N 2 1 204.314 0.191 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1c(C)noc1C ZINC000629568279 361460765 /nfs/dbraw/zinc/46/07/65/361460765.db2.gz SKRSNMULXXJEBY-UHFFFAOYSA-N 2 1 241.335 0.959 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)noc1C ZINC000629568279 361460767 /nfs/dbraw/zinc/46/07/67/361460767.db2.gz SKRSNMULXXJEBY-UHFFFAOYSA-N 2 1 241.335 0.959 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000629571856 361463693 /nfs/dbraw/zinc/46/36/93/361463693.db2.gz KOFJLWJJSLUXGG-GFCCVEGCSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@H]1C ZINC000629572399 361463766 /nfs/dbraw/zinc/46/37/66/361463766.db2.gz RTSYVEXJZASIES-GHMZBOCLSA-N 2 1 200.326 0.810 20 0 BCADMP CCc1noc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000629578940 361464645 /nfs/dbraw/zinc/46/46/45/361464645.db2.gz NZDLVVRYGCTNBK-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP CCc1noc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629578940 361464650 /nfs/dbraw/zinc/46/46/50/361464650.db2.gz NZDLVVRYGCTNBK-UHFFFAOYSA-N 2 1 241.335 0.953 20 0 BCADMP Cc1nccn1CCC[N@H+](C)CCOCC[NH3+] ZINC000629576617 361466089 /nfs/dbraw/zinc/46/60/89/361466089.db2.gz AVWZWALHKVIUGH-UHFFFAOYSA-N 2 1 240.351 0.489 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCC[NH3+] ZINC000629576617 361466096 /nfs/dbraw/zinc/46/60/96/361466096.db2.gz AVWZWALHKVIUGH-UHFFFAOYSA-N 3 1 240.351 0.489 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCC[NH3+] ZINC000629576617 361466102 /nfs/dbraw/zinc/46/61/02/361466102.db2.gz AVWZWALHKVIUGH-UHFFFAOYSA-N 3 1 240.351 0.489 20 0 BCADMP C[N@H+](CCC[NH+]1CCCCC1)CCOCC[NH3+] ZINC000629576644 361466546 /nfs/dbraw/zinc/46/65/46/361466546.db2.gz BHELGXWZIDHKEB-UHFFFAOYSA-N 3 1 243.395 0.770 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOCC[NH3+] ZINC000629576644 361466547 /nfs/dbraw/zinc/46/65/47/361466547.db2.gz BHELGXWZIDHKEB-UHFFFAOYSA-N 3 1 243.395 0.770 20 0 BCADMP Cc1cc(C[N@H+](C)CCOCC[NH3+])on1 ZINC000629577799 361467589 /nfs/dbraw/zinc/46/75/89/361467589.db2.gz JCEXEZRUESURHM-UHFFFAOYSA-N 2 1 213.281 0.390 20 0 BCADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])on1 ZINC000629577799 361467592 /nfs/dbraw/zinc/46/75/92/361467592.db2.gz JCEXEZRUESURHM-UHFFFAOYSA-N 2 1 213.281 0.390 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCO[C@H]1CC1(F)F ZINC000629580689 361469679 /nfs/dbraw/zinc/46/96/79/361469679.db2.gz DNZBKXBICLPYTH-VIFPVBQESA-N 2 1 238.278 0.318 20 0 BCADMP Cc1ccncc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629654683 361558086 /nfs/dbraw/zinc/55/80/86/361558086.db2.gz PFSVDIMHNYXTSD-UHFFFAOYSA-N 2 1 235.331 0.988 20 0 BCADMP C1=C(C[NH2+]C[C@H]2C[NH2+]CCCO2)COCC1 ZINC000629648694 361537897 /nfs/dbraw/zinc/53/78/97/361537897.db2.gz ACAMVFCTZJODOT-GFCCVEGCSA-N 2 1 226.320 0.301 20 0 BCADMP C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000163738688 361566168 /nfs/dbraw/zinc/56/61/68/361566168.db2.gz CPASRYJVBXTINR-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000629654040 361554094 /nfs/dbraw/zinc/55/40/94/361554094.db2.gz UGYBRBMHGPIGDK-UHFFFAOYSA-N 2 1 240.351 0.694 20 0 BCADMP CCn1nccc1C[N@H+](C)CCOCC[NH2+]C ZINC000629654346 361556973 /nfs/dbraw/zinc/55/69/73/361556973.db2.gz PPXFDOJQNCACHY-UHFFFAOYSA-N 2 1 240.351 0.571 20 0 BCADMP CCn1nccc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629654346 361556980 /nfs/dbraw/zinc/55/69/80/361556980.db2.gz PPXFDOJQNCACHY-UHFFFAOYSA-N 2 1 240.351 0.571 20 0 BCADMP CC(C)n1nccc1C[N@H+](C)CCOCC[NH3+] ZINC000629662149 361594707 /nfs/dbraw/zinc/59/47/07/361594707.db2.gz CZAFMWSTPWSLMP-UHFFFAOYSA-N 2 1 240.351 0.871 20 0 BCADMP CC(C)n1nccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662149 361594712 /nfs/dbraw/zinc/59/47/12/361594712.db2.gz CZAFMWSTPWSLMP-UHFFFAOYSA-N 2 1 240.351 0.871 20 0 BCADMP Cc1n[nH]cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629664021 361595736 /nfs/dbraw/zinc/59/57/36/361595736.db2.gz NVUXHLMSJKRLLD-UHFFFAOYSA-N 2 1 212.297 0.125 20 0 BCADMP COCC(C)(C)C[N@@H+](C)CCOCC[NH3+] ZINC000629664206 361595910 /nfs/dbraw/zinc/59/59/10/361595910.db2.gz KEXPQMWPVZVBPS-UHFFFAOYSA-N 2 1 218.341 0.566 20 0 BCADMP CN(C)CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434425783 201219188 /nfs/dbraw/zinc/21/91/88/201219188.db2.gz QRRZCHJTNBXOON-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434425783 201219193 /nfs/dbraw/zinc/21/91/93/201219193.db2.gz QRRZCHJTNBXOON-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000434693934 201234409 /nfs/dbraw/zinc/23/44/09/201234409.db2.gz IPNKMSHIIPNHGI-LLVKDONJSA-N 2 1 229.368 0.960 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000434682310 201235232 /nfs/dbraw/zinc/23/52/32/201235232.db2.gz VUJQZIQAQDETFM-JQWIXIFHSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000195158009 361639001 /nfs/dbraw/zinc/63/90/01/361639001.db2.gz GKTJZADZFFNCFZ-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000435872157 201292002 /nfs/dbraw/zinc/29/20/02/201292002.db2.gz WVUCDERKHHIRJF-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000435878742 201292256 /nfs/dbraw/zinc/29/22/56/201292256.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP C[NH2+]CCCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000435878742 201292259 /nfs/dbraw/zinc/29/22/59/201292259.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000435882898 201295247 /nfs/dbraw/zinc/29/52/47/201295247.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 2 1 213.369 0.870 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579482920 366827784 /nfs/dbraw/zinc/82/77/84/366827784.db2.gz KCYMSUUWPPUYEL-AXFHLTTASA-N 2 1 232.393 0.783 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438087785 201387769 /nfs/dbraw/zinc/38/77/69/201387769.db2.gz MRMKURMZYKKBMS-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251446 363872925 /nfs/dbraw/zinc/87/29/25/363872925.db2.gz LCSALVYNLTUJQJ-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111936 541310533 /nfs/dbraw/zinc/31/05/33/541310533.db2.gz HBLHHICKVRLEQO-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000170757648 364167944 /nfs/dbraw/zinc/16/79/44/364167944.db2.gz MXYQMHCLGKTFNW-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398981117 364453976 /nfs/dbraw/zinc/45/39/76/364453976.db2.gz FBESHFFWMXHHKH-MFKMUULPSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+]CC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000333190981 181363919 /nfs/dbraw/zinc/36/39/19/181363919.db2.gz UZIBMISSSIRYFD-HTAVTVPLSA-N 3 1 211.353 0.846 20 0 BCADMP C[N@H+]1CCN(C[C@H]2CC[NH2+]C2)CC1(C)C ZINC000250806470 364659584 /nfs/dbraw/zinc/65/95/84/364659584.db2.gz RMIBTMJFYUEESC-NSHDSACASA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1csc(C[NH3+])n1 ZINC000567351351 364728982 /nfs/dbraw/zinc/72/89/82/364728982.db2.gz JBLXPXTVYNOJJA-PHDIDXHHSA-N 2 1 228.321 0.067 20 0 BCADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000166382816 364786723 /nfs/dbraw/zinc/78/67/23/364786723.db2.gz OGDTZUNTFXOYIE-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000166382816 364786731 /nfs/dbraw/zinc/78/67/31/364786731.db2.gz OGDTZUNTFXOYIE-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000573503207 364850194 /nfs/dbraw/zinc/85/01/94/364850194.db2.gz KSEWIZYDDCTKCT-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000573503207 364850200 /nfs/dbraw/zinc/85/02/00/364850200.db2.gz KSEWIZYDDCTKCT-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000573368580 364812049 /nfs/dbraw/zinc/81/20/49/364812049.db2.gz NPVFCLNWHTZWQU-NSHDSACASA-N 2 1 227.352 0.666 20 0 BCADMP CCOC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730132 541386300 /nfs/dbraw/zinc/38/63/00/541386300.db2.gz NVSFYEYMOQQYCT-UHFFFAOYSA-N 2 1 214.309 0.610 20 0 BCADMP [NH3+]CCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812626 181371822 /nfs/dbraw/zinc/37/18/22/181371822.db2.gz XNYJLDFKTGFSTE-JTQLQIEISA-N 2 1 211.309 0.032 20 0 BCADMP C[C@H](c1nnnn1C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000573685008 364892401 /nfs/dbraw/zinc/89/24/01/364892401.db2.gz UPRVKOURFFPXDA-DTWKUNHWSA-N 2 1 238.339 0.330 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037023861 181372824 /nfs/dbraw/zinc/37/28/24/181372824.db2.gz QWEZVVVHHNEXEP-QWRGUYRKSA-N 2 1 225.336 0.468 20 0 BCADMP OC[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000573879148 364936669 /nfs/dbraw/zinc/93/66/69/364936669.db2.gz RZMRKOCWAIJRSP-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000573879148 364936674 /nfs/dbraw/zinc/93/66/74/364936674.db2.gz RZMRKOCWAIJRSP-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011775 541419413 /nfs/dbraw/zinc/41/94/13/541419413.db2.gz XZSIQTYFCCVSLF-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011775 541419418 /nfs/dbraw/zinc/41/94/18/541419418.db2.gz XZSIQTYFCCVSLF-WCQYABFASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011782 541419430 /nfs/dbraw/zinc/41/94/30/541419430.db2.gz XZSIQTYFCCVSLF-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011782 541419434 /nfs/dbraw/zinc/41/94/34/541419434.db2.gz XZSIQTYFCCVSLF-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C2CN(C(C)=O)C2)[C@@H](C)C1 ZINC000574171268 365002396 /nfs/dbraw/zinc/00/23/96/365002396.db2.gz LXIUJXHVNDOSQX-GWCFXTLKSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C2CN(C(C)=O)C2)[C@@H](C)C1 ZINC000574171268 365002398 /nfs/dbraw/zinc/00/23/98/365002398.db2.gz LXIUJXHVNDOSQX-GWCFXTLKSA-N 2 1 239.363 0.537 20 0 BCADMP CCOCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000574445169 365063426 /nfs/dbraw/zinc/06/34/26/365063426.db2.gz SHFVXRMAHHJRTN-GFCCVEGCSA-N 2 1 241.335 0.569 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1(C)C ZINC000574581708 365095933 /nfs/dbraw/zinc/09/59/33/365095933.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)CC1(C)C ZINC000574581708 365095937 /nfs/dbraw/zinc/09/59/37/365095937.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)CC1(C)C ZINC000574581708 365095939 /nfs/dbraw/zinc/09/59/39/365095939.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 2 1 243.395 0.325 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCSC(C)(C)C1 ZINC000574881132 365166965 /nfs/dbraw/zinc/16/69/65/365166965.db2.gz CMLHMYGNMMBKRV-LLVKDONJSA-N 2 1 232.393 0.784 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)C ZINC000443391989 193019542 /nfs/dbraw/zinc/01/95/42/193019542.db2.gz XBLOMLSBERYDSB-PHIMTYICSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444164618 193038816 /nfs/dbraw/zinc/03/88/16/193038816.db2.gz GDGSOMRTVARXLM-WCQYABFASA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000444180241 193039379 /nfs/dbraw/zinc/03/93/79/193039379.db2.gz HENHVTASWFKRPQ-MDZLAQPJSA-N 2 1 237.347 0.054 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166016 193039535 /nfs/dbraw/zinc/03/95/35/193039535.db2.gz AUOCLZPORVFSPF-GARJFASQSA-N 2 1 223.320 0.043 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000444180444 193040591 /nfs/dbraw/zinc/04/05/91/193040591.db2.gz HENHVTASWFKRPQ-WZRBSPASSA-N 2 1 237.347 0.054 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444188150 193040786 /nfs/dbraw/zinc/04/07/86/193040786.db2.gz KWYSITVMOPBUOV-JTQLQIEISA-N 2 1 237.303 0.562 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCC[C@H](C)C1 ZINC000444191665 193040889 /nfs/dbraw/zinc/04/08/89/193040889.db2.gz XVFYDXGVKXAUFX-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@H]1CC[NH2+]1 ZINC000444257809 193042812 /nfs/dbraw/zinc/04/28/12/193042812.db2.gz GBCAPGPDPUERAJ-SECBINFHSA-N 2 1 243.270 0.568 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000444266323 193043455 /nfs/dbraw/zinc/04/34/55/193043455.db2.gz DIBKBRWGGPKJFU-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444274057 193043580 /nfs/dbraw/zinc/04/35/80/193043580.db2.gz WYRNVDRZXWGVRK-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444269715 193043862 /nfs/dbraw/zinc/04/38/62/193043862.db2.gz MAGMWZFKCRNAIG-GARJFASQSA-N 2 1 225.336 0.289 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444265006 193043875 /nfs/dbraw/zinc/04/38/75/193043875.db2.gz LBFVLTUXSWEBAM-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP CC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336682703 365350912 /nfs/dbraw/zinc/35/09/12/365350912.db2.gz FBYFLPYXULXZRL-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575923539 365415226 /nfs/dbraw/zinc/41/52/26/365415226.db2.gz VLZIKTJCOHZRKN-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000575923538 365415282 /nfs/dbraw/zinc/41/52/82/365415282.db2.gz VLZIKTJCOHZRKN-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575923851 365416188 /nfs/dbraw/zinc/41/61/88/365416188.db2.gz NNLHJLDZCQHOGT-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000575868746 365396478 /nfs/dbraw/zinc/39/64/78/365396478.db2.gz KLPFCMOZVWIHHS-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000575868746 365396480 /nfs/dbraw/zinc/39/64/80/365396480.db2.gz KLPFCMOZVWIHHS-STQMWFEESA-N 2 1 244.379 0.438 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1CF ZINC000575879067 365403413 /nfs/dbraw/zinc/40/34/13/365403413.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 1 218.316 0.733 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)C1C[NH2+]C1 ZINC000579593677 366896910 /nfs/dbraw/zinc/89/69/10/366896910.db2.gz DFDKQCROGCZHNQ-KOLCDFICSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607614 366905285 /nfs/dbraw/zinc/90/52/85/366905285.db2.gz HEJJKKAMYXUJPR-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@H]1CC[NH2+]C1 ZINC000579607614 366905287 /nfs/dbraw/zinc/90/52/87/366905287.db2.gz HEJJKKAMYXUJPR-UTUOFQBUSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[C@H](C)[NH3+] ZINC000579709846 366980104 /nfs/dbraw/zinc/98/01/04/366980104.db2.gz KAVGVNHHIWDKRC-YWVKMMECSA-N 2 1 231.315 0.130 20 0 BCADMP CCc1nn(C)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194535703 541513126 /nfs/dbraw/zinc/51/31/26/541513126.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 1 248.374 0.976 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC000579712876 366989478 /nfs/dbraw/zinc/98/94/78/366989478.db2.gz HIKDAIUKFJKXII-NSHDSACASA-N 2 1 238.335 0.852 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC000579712876 366989484 /nfs/dbraw/zinc/98/94/84/366989484.db2.gz HIKDAIUKFJKXII-NSHDSACASA-N 2 1 238.335 0.852 20 0 BCADMP CC(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579853029 367052045 /nfs/dbraw/zinc/05/20/45/367052045.db2.gz ABIUYGZFXROWPX-WDEREUQCSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000581126898 367270094 /nfs/dbraw/zinc/27/00/94/367270094.db2.gz FXEXJDRHGOEKIZ-LBPRGKRZSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)(C)[NH2+]CCNC(=O)CC(F)(F)C[NH3+] ZINC000581019614 367238883 /nfs/dbraw/zinc/23/88/83/367238883.db2.gz KUMLWHNOAWYDDT-UHFFFAOYSA-N 2 1 237.294 0.475 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238956 /nfs/dbraw/zinc/23/89/56/367238956.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238962 /nfs/dbraw/zinc/23/89/62/367238962.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238964 /nfs/dbraw/zinc/23/89/64/367238964.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238969 /nfs/dbraw/zinc/23/89/69/367238969.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000381084338 367348213 /nfs/dbraw/zinc/34/82/13/367348213.db2.gz SIJGZIDUHOKPNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](C)C1 ZINC000381084338 367348217 /nfs/dbraw/zinc/34/82/17/367348217.db2.gz SIJGZIDUHOKPNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](C)C1 ZINC000381084338 367348222 /nfs/dbraw/zinc/34/82/22/367348222.db2.gz SIJGZIDUHOKPNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC)CC1 ZINC000381135091 367354560 /nfs/dbraw/zinc/35/45/60/367354560.db2.gz LQIGURJZEWSGKB-NSHDSACASA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC)CC1 ZINC000381135091 367354566 /nfs/dbraw/zinc/35/45/66/367354566.db2.gz LQIGURJZEWSGKB-NSHDSACASA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC)CC1 ZINC000381135090 367354876 /nfs/dbraw/zinc/35/48/76/367354876.db2.gz LQIGURJZEWSGKB-LLVKDONJSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC)CC1 ZINC000381135090 367354878 /nfs/dbraw/zinc/35/48/78/367354878.db2.gz LQIGURJZEWSGKB-LLVKDONJSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)[C@H]2CC[NH2+]C2)CCO1 ZINC000581370221 367401858 /nfs/dbraw/zinc/40/18/58/367401858.db2.gz NOEYIPATIQBRJY-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](CCN(C)[C@H]2CC[NH2+]C2)CCO1 ZINC000581370221 367401866 /nfs/dbraw/zinc/40/18/66/367401866.db2.gz NOEYIPATIQBRJY-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719302 367450673 /nfs/dbraw/zinc/45/06/73/367450673.db2.gz LPLSZOFANWJADE-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719302 367450676 /nfs/dbraw/zinc/45/06/76/367450676.db2.gz LPLSZOFANWJADE-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CC[N@H+](CCN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000381780576 367457041 /nfs/dbraw/zinc/45/70/41/367457041.db2.gz XUUJTEFXQZDBDX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000381780576 367457045 /nfs/dbraw/zinc/45/70/45/367457045.db2.gz XUUJTEFXQZDBDX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000381780576 367457049 /nfs/dbraw/zinc/45/70/49/367457049.db2.gz XUUJTEFXQZDBDX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000381780576 367457053 /nfs/dbraw/zinc/45/70/53/367457053.db2.gz XUUJTEFXQZDBDX-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@H]([N@@H+](C)C[C@@H](O)CN(C)C1CC1)C(C)(C)O ZINC000382865947 367564961 /nfs/dbraw/zinc/56/49/61/367564961.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865947 367564966 /nfs/dbraw/zinc/56/49/66/367564966.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)O ZINC000382865947 367564967 /nfs/dbraw/zinc/56/49/67/367564967.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865947 367564972 /nfs/dbraw/zinc/56/49/72/367564972.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383301359 367612630 /nfs/dbraw/zinc/61/26/30/367612630.db2.gz HQKMKFLNNHYSPR-PWSUYJOCSA-N 2 1 239.363 0.727 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH2+]C1CC1)C1CC1 ZINC000383329795 367613600 /nfs/dbraw/zinc/61/36/00/367613600.db2.gz KAEHSKZKHJRCNP-SNVBAGLBSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000383856869 367655878 /nfs/dbraw/zinc/65/58/78/367655878.db2.gz NBWRRNCLMUHCQT-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000383856869 367655880 /nfs/dbraw/zinc/65/58/80/367655880.db2.gz NBWRRNCLMUHCQT-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP COC(C)(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000384095005 367672197 /nfs/dbraw/zinc/67/21/97/367672197.db2.gz VUBFPYYYTQXHNJ-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000384095005 367672199 /nfs/dbraw/zinc/67/21/99/367672199.db2.gz VUBFPYYYTQXHNJ-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384095005 367672201 /nfs/dbraw/zinc/67/22/01/367672201.db2.gz VUBFPYYYTQXHNJ-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COC(C)(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384095005 367672206 /nfs/dbraw/zinc/67/22/06/367672206.db2.gz VUBFPYYYTQXHNJ-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@H](CCCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384445050 367691660 /nfs/dbraw/zinc/69/16/60/367691660.db2.gz ZFPQGJQAIUFBLR-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CCCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384445050 367691662 /nfs/dbraw/zinc/69/16/62/367691662.db2.gz ZFPQGJQAIUFBLR-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](CCOCC(F)(F)F)C1CC([NH3+])C1 ZINC000384729616 367722379 /nfs/dbraw/zinc/72/23/79/367722379.db2.gz AXCHFHPYBCYRCV-UHFFFAOYSA-N 2 1 226.242 0.987 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384780413 367731037 /nfs/dbraw/zinc/73/10/37/367731037.db2.gz KZIFLBYCVCEBGC-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000384781563 367731270 /nfs/dbraw/zinc/73/12/70/367731270.db2.gz CEAOVYXCZMRNTM-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000384779442 367731308 /nfs/dbraw/zinc/73/13/08/367731308.db2.gz APZLOXSGBHNVQO-CYBMUJFWSA-N 2 1 247.342 0.597 20 0 BCADMP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336633832 181431176 /nfs/dbraw/zinc/43/11/76/181431176.db2.gz ULGWJOJYYIVYIV-IUCAKERBSA-N 2 1 247.289 0.181 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(C)(C)CO)C1CC1 ZINC000385898517 367877730 /nfs/dbraw/zinc/87/77/30/367877730.db2.gz OHSLSCGUWHPOQJ-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(C)(C)CO)C1CC1 ZINC000385898517 367877735 /nfs/dbraw/zinc/87/77/35/367877735.db2.gz OHSLSCGUWHPOQJ-LBPRGKRZSA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386140097 367919832 /nfs/dbraw/zinc/91/98/32/367919832.db2.gz QHYQETVYYBALEO-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386144202 367920151 /nfs/dbraw/zinc/92/01/51/367920151.db2.gz QWMDVSCRIZEQGF-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566244389 326021454 /nfs/dbraw/zinc/02/14/54/326021454.db2.gz YCIOWYXUFCWCDF-SRVKXCTJSA-N 3 1 227.352 0.021 20 0 BCADMP CC[N@@H+](CC(=O)N1CC(C[NH+](C)C)C1)C1CC1 ZINC000615504140 368080183 /nfs/dbraw/zinc/08/01/83/368080183.db2.gz OWQSHVGJQUTASO-UHFFFAOYSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505588 368080946 /nfs/dbraw/zinc/08/09/46/368080946.db2.gz HEMOUONEDYQSBL-NSHDSACASA-N 2 1 239.363 0.348 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CC)[C@H](C)CO ZINC000566425411 326044341 /nfs/dbraw/zinc/04/43/41/326044341.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)CO ZINC000566425411 326044350 /nfs/dbraw/zinc/04/43/50/326044350.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)CO ZINC000566425411 326044358 /nfs/dbraw/zinc/04/43/58/326044358.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)CO ZINC000566425411 326044360 /nfs/dbraw/zinc/04/43/60/326044360.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)CO ZINC000566425411 326044362 /nfs/dbraw/zinc/04/43/62/326044362.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)C)C1 ZINC000566444536 326048050 /nfs/dbraw/zinc/04/80/50/326048050.db2.gz HFTVMAKJXOECNK-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP CCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000063653819 368591190 /nfs/dbraw/zinc/59/11/90/368591190.db2.gz MLARGBRUHSVONY-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821238 368971292 /nfs/dbraw/zinc/97/12/92/368971292.db2.gz SHMFTEVLSJMPPA-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821238 368971296 /nfs/dbraw/zinc/97/12/96/368971296.db2.gz SHMFTEVLSJMPPA-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000309823348 326170535 /nfs/dbraw/zinc/17/05/35/326170535.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000309823348 326170538 /nfs/dbraw/zinc/17/05/38/326170538.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000309823348 326170542 /nfs/dbraw/zinc/17/05/42/326170542.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000309823348 326170545 /nfs/dbraw/zinc/17/05/45/326170545.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309823348 326170547 /nfs/dbraw/zinc/17/05/47/326170547.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000631837271 369095205 /nfs/dbraw/zinc/09/52/05/369095205.db2.gz QMBRGXJYFHNQBJ-NOOOWODRSA-N 2 1 212.337 0.938 20 0 BCADMP C[NH2+]CCC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000567478544 326200758 /nfs/dbraw/zinc/20/07/58/326200758.db2.gz YEDXCHFBFQEJRF-CYBMUJFWSA-N 2 1 243.395 0.278 20 0 BCADMP CN(CCc1c[nH+]cn1C)CC[N@H+](C)C1CC1 ZINC000459415748 203278120 /nfs/dbraw/zinc/27/81/20/203278120.db2.gz XAVRZBSWMATHNE-UHFFFAOYSA-N 2 1 236.363 0.989 20 0 BCADMP CN(CCc1c[nH+]cn1C)CC[N@@H+](C)C1CC1 ZINC000459415748 203278121 /nfs/dbraw/zinc/27/81/21/203278121.db2.gz XAVRZBSWMATHNE-UHFFFAOYSA-N 2 1 236.363 0.989 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843858 369376916 /nfs/dbraw/zinc/37/69/16/369376916.db2.gz SKLNEPIUVDZIPH-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843858 369376919 /nfs/dbraw/zinc/37/69/19/369376919.db2.gz SKLNEPIUVDZIPH-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP CN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108459453 369395768 /nfs/dbraw/zinc/39/57/68/369395768.db2.gz WPKIGUSUJHCKIC-NSHDSACASA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108459453 369395776 /nfs/dbraw/zinc/39/57/76/369395776.db2.gz WPKIGUSUJHCKIC-NSHDSACASA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108459451 369396097 /nfs/dbraw/zinc/39/60/97/369396097.db2.gz WPKIGUSUJHCKIC-LLVKDONJSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108459451 369396099 /nfs/dbraw/zinc/39/60/99/369396099.db2.gz WPKIGUSUJHCKIC-LLVKDONJSA-N 2 1 225.336 0.149 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCCC(=O)OC)C[C@H]1C[NH3+] ZINC000405204406 369449689 /nfs/dbraw/zinc/44/96/89/369449689.db2.gz HQANDJPODNSVFV-GHMZBOCLSA-N 2 1 244.335 0.235 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000259913051 370955162 /nfs/dbraw/zinc/95/51/62/370955162.db2.gz GODONDJBEMPMLO-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000459821899 203375240 /nfs/dbraw/zinc/37/52/40/203375240.db2.gz GJZCLELUUQXCIF-QWHCGFSZSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863399 369611690 /nfs/dbraw/zinc/61/16/90/369611690.db2.gz ZTUOPGBQOUEMBA-ZDEQEGDKSA-N 2 1 239.363 0.271 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863399 369611695 /nfs/dbraw/zinc/61/16/95/369611695.db2.gz ZTUOPGBQOUEMBA-ZDEQEGDKSA-N 2 1 239.363 0.271 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000619898595 369630603 /nfs/dbraw/zinc/63/06/03/369630603.db2.gz LDBHEMKUCNTDOR-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000619898595 369630606 /nfs/dbraw/zinc/63/06/06/369630606.db2.gz LDBHEMKUCNTDOR-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP Cn1nccc1[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000567990593 326292549 /nfs/dbraw/zinc/29/25/49/326292549.db2.gz LQHSCEGQQQPWBA-NSHDSACASA-N 2 1 222.336 0.948 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000620207445 369767176 /nfs/dbraw/zinc/76/71/76/369767176.db2.gz KGVZIOYFCQAQTN-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000568167260 326318235 /nfs/dbraw/zinc/31/82/35/326318235.db2.gz DDSUZGDYJPSXBM-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000568167260 326318238 /nfs/dbraw/zinc/31/82/38/326318238.db2.gz DDSUZGDYJPSXBM-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000568167260 326318242 /nfs/dbraw/zinc/31/82/42/326318242.db2.gz DDSUZGDYJPSXBM-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000568167260 326318244 /nfs/dbraw/zinc/31/82/44/326318244.db2.gz DDSUZGDYJPSXBM-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699181 370117515 /nfs/dbraw/zinc/11/75/15/370117515.db2.gz RQYDUFDXBXIRNG-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000620903293 370050485 /nfs/dbraw/zinc/05/04/85/370050485.db2.gz LQNILUPVPFQVRJ-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621153019 370125423 /nfs/dbraw/zinc/12/54/23/370125423.db2.gz JCMKNOFKDFBWIR-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621693576 370441107 /nfs/dbraw/zinc/44/11/07/370441107.db2.gz YDWKPPNDACBFIF-DGCLKSJQSA-N 2 1 239.363 0.666 20 0 BCADMP CCn1cc(CC[N@H+]2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000621774311 370519588 /nfs/dbraw/zinc/51/95/88/370519588.db2.gz QNYBNDWWFXEFQK-LBPRGKRZSA-N 2 1 236.363 0.987 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000621772476 370516309 /nfs/dbraw/zinc/51/63/09/370516309.db2.gz FFPKTICXIVOAAY-RAIGVLPGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000621772476 370516316 /nfs/dbraw/zinc/51/63/16/370516316.db2.gz FFPKTICXIVOAAY-RAIGVLPGSA-N 2 1 239.363 0.680 20 0 BCADMP CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784795 370537296 /nfs/dbraw/zinc/53/72/96/370537296.db2.gz VEIQCZOPVKQZQT-NTZNESFSSA-N 2 1 237.347 0.420 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784795 370537301 /nfs/dbraw/zinc/53/73/01/370537301.db2.gz VEIQCZOPVKQZQT-NTZNESFSSA-N 2 1 237.347 0.420 20 0 BCADMP CCn1nccc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000621775414 370523383 /nfs/dbraw/zinc/52/33/83/370523383.db2.gz OLNXZXGXLQNYKZ-UHFFFAOYSA-N 2 1 222.336 0.867 20 0 BCADMP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)OC ZINC000621783355 370533655 /nfs/dbraw/zinc/53/36/55/370533655.db2.gz AEHSDZGJMIVPGW-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)OC ZINC000621783355 370533659 /nfs/dbraw/zinc/53/36/59/370533659.db2.gz AEHSDZGJMIVPGW-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000622613122 371016224 /nfs/dbraw/zinc/01/62/24/371016224.db2.gz IFPBXFMAVCQDSZ-SNVBAGLBSA-N 2 1 238.335 0.505 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH+](C)C ZINC000623975802 371210660 /nfs/dbraw/zinc/21/06/60/371210660.db2.gz QJSVEEGPZYTJBG-VIFPVBQESA-N 2 1 224.308 0.258 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1C ZINC000624219014 371407462 /nfs/dbraw/zinc/40/74/62/371407462.db2.gz IMDQSPQNGIAMSO-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624239743 371428776 /nfs/dbraw/zinc/42/87/76/371428776.db2.gz SLVOLXJMCKGYBS-CHWSQXEVSA-N 2 1 240.347 0.353 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)CCO1 ZINC000631823218 372600951 /nfs/dbraw/zinc/60/09/51/372600951.db2.gz ZAHDGMRYIWLAAQ-YFKTTZPYSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)CCO1 ZINC000631823218 372600957 /nfs/dbraw/zinc/60/09/57/372600957.db2.gz ZAHDGMRYIWLAAQ-YFKTTZPYSA-N 2 1 228.336 0.459 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631824062 372602095 /nfs/dbraw/zinc/60/20/95/372602095.db2.gz VDIDRTMDJUPMAL-GXSJLCMTSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631824062 372602100 /nfs/dbraw/zinc/60/21/00/372602100.db2.gz VDIDRTMDJUPMAL-GXSJLCMTSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631823507 372602245 /nfs/dbraw/zinc/60/22/45/372602245.db2.gz GIOJSSSNXMXXOV-AXFHLTTASA-N 2 1 235.335 0.435 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000631823484 372599846 /nfs/dbraw/zinc/59/98/46/372599846.db2.gz FRPYSFNQNFVJGD-GARJFASQSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000631823484 372599851 /nfs/dbraw/zinc/59/98/51/372599851.db2.gz FRPYSFNQNFVJGD-GARJFASQSA-N 2 1 214.309 0.071 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827559 372607791 /nfs/dbraw/zinc/60/77/91/372607791.db2.gz QKJJMZPPDHETDZ-UWVGGRQHSA-N 2 1 237.351 0.728 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828751 372608797 /nfs/dbraw/zinc/60/87/97/372608797.db2.gz XIFPKEYTYRNZGT-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631829314 372611382 /nfs/dbraw/zinc/61/13/82/372611382.db2.gz NFSVYCUHWOWEIH-GMTAPVOTSA-N 2 1 235.335 0.577 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837413 372617941 /nfs/dbraw/zinc/61/79/41/372617941.db2.gz BFMLDRHXJPSITJ-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835141 372620343 /nfs/dbraw/zinc/62/03/43/372620343.db2.gz NISWZPMYGPLYSX-LLVKDONJSA-N 3 1 215.341 0.165 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835141 372620348 /nfs/dbraw/zinc/62/03/48/372620348.db2.gz NISWZPMYGPLYSX-LLVKDONJSA-N 3 1 215.341 0.165 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837047 372627314 /nfs/dbraw/zinc/62/73/14/372627314.db2.gz MBMZHCABLGBHHQ-UTUOFQBUSA-N 3 1 239.363 0.034 20 0 BCADMP Cc1nnsc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837551 372630108 /nfs/dbraw/zinc/63/01/08/372630108.db2.gz TWYJVNHXEAALCW-VXNVDRBHSA-N 2 1 226.349 0.873 20 0 BCADMP Cc1nnsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837551 372630111 /nfs/dbraw/zinc/63/01/11/372630111.db2.gz TWYJVNHXEAALCW-VXNVDRBHSA-N 2 1 226.349 0.873 20 0 BCADMP CCOCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839191 372634004 /nfs/dbraw/zinc/63/40/04/372634004.db2.gz BQOKTBCBSJQOAW-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000631839704 372636988 /nfs/dbraw/zinc/63/69/88/372636988.db2.gz JTWNXBQRIPXPCI-CMPLNLGQSA-N 2 1 212.337 0.940 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842769 372640984 /nfs/dbraw/zinc/64/09/84/372640984.db2.gz FOGDYAIWXLPJGW-GHMZBOCLSA-N 2 1 227.352 0.285 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842769 372640990 /nfs/dbraw/zinc/64/09/90/372640990.db2.gz FOGDYAIWXLPJGW-GHMZBOCLSA-N 2 1 227.352 0.285 20 0 BCADMP C[C@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000631852216 372651440 /nfs/dbraw/zinc/65/14/40/372651440.db2.gz GZTWNIMNEBXVJM-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[C@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000631852216 372651443 /nfs/dbraw/zinc/65/14/43/372651443.db2.gz GZTWNIMNEBXVJM-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP Cc1cc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])c(C)n1 ZINC000631827154 372606120 /nfs/dbraw/zinc/60/61/20/372606120.db2.gz GQNCIVSGVYOETG-GFCCVEGCSA-N 2 1 237.347 0.758 20 0 BCADMP Cc1cc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)n1 ZINC000631827154 372606124 /nfs/dbraw/zinc/60/61/24/372606124.db2.gz GQNCIVSGVYOETG-GFCCVEGCSA-N 2 1 237.347 0.758 20 0 BCADMP CCCCOCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864686 372666372 /nfs/dbraw/zinc/66/63/72/372666372.db2.gz RGAUUUHAQQJXQJ-UHFFFAOYSA-N 2 1 244.379 0.849 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866043 372666407 /nfs/dbraw/zinc/66/64/07/372666407.db2.gz SGULXXVGZSZETM-SECBINFHSA-N 2 1 238.278 0.318 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866052 372666780 /nfs/dbraw/zinc/66/67/80/372666780.db2.gz SGULXXVGZSZETM-VIFPVBQESA-N 2 1 238.278 0.318 20 0 BCADMP FC(F)[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000631865831 372666862 /nfs/dbraw/zinc/66/68/62/372666862.db2.gz POLFHJPCRYKJKR-VHSXEESVSA-N 2 1 234.290 0.952 20 0 BCADMP FC(F)[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000631865831 372666867 /nfs/dbraw/zinc/66/68/67/372666867.db2.gz POLFHJPCRYKJKR-VHSXEESVSA-N 2 1 234.290 0.952 20 0 BCADMP c1cnn(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631867776 372669926 /nfs/dbraw/zinc/66/99/26/372669926.db2.gz JEPSBIMGACAIFH-NEPJUHHUSA-N 2 1 220.320 0.615 20 0 BCADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878936 372678300 /nfs/dbraw/zinc/67/83/00/372678300.db2.gz FJTANLKBQBDLAX-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878936 372678305 /nfs/dbraw/zinc/67/83/05/372678305.db2.gz FJTANLKBQBDLAX-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP C[NH2+]C[C@@](C)(O)CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000631880501 372679864 /nfs/dbraw/zinc/67/98/64/372679864.db2.gz WSUMUKQSEUAJFT-CHWSQXEVSA-N 2 1 243.395 0.229 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673625 373584734 /nfs/dbraw/zinc/58/47/34/373584734.db2.gz SLDDHWCVFFIMCI-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445390 205851225 /nfs/dbraw/zinc/85/12/25/205851225.db2.gz GRETWDGVJNTWOV-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@H+]1C ZINC000634300493 374127395 /nfs/dbraw/zinc/12/73/95/374127395.db2.gz AEGHNSWPHNKBGI-VHSXEESVSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[N@H+]1C ZINC000634301099 374129260 /nfs/dbraw/zinc/12/92/60/374129260.db2.gz WQEWZZVRQVJRPD-LLVKDONJSA-N 2 1 241.379 0.770 20 0 BCADMP CC[NH2+][C@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000634556790 374313434 /nfs/dbraw/zinc/31/34/34/374313434.db2.gz DTYSUIBVYHGRAR-HTQZYQBOSA-N 2 1 212.297 0.891 20 0 BCADMP COC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000144363646 374285834 /nfs/dbraw/zinc/28/58/34/374285834.db2.gz LESDAJNMXSGKCV-UHFFFAOYSA-N 2 1 249.314 0.767 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424381697 206039422 /nfs/dbraw/zinc/03/94/22/206039422.db2.gz ZJWMAHZVEYAGRV-IJLUTSLNSA-N 2 1 229.368 0.600 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000250895026 182301480 /nfs/dbraw/zinc/30/14/80/182301480.db2.gz YICSXTPPLUNQRY-QJPTWQEYSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000251384295 182304077 /nfs/dbraw/zinc/30/40/77/182304077.db2.gz QHKNBDVDOOMGAJ-GRYCIOLGSA-N 2 1 237.347 0.481 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155884528 206072189 /nfs/dbraw/zinc/07/21/89/206072189.db2.gz YXTCKQAQXUHLQB-NWDGAFQWSA-N 2 1 230.352 0.722 20 0 BCADMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367392266 182616832 /nfs/dbraw/zinc/61/68/32/182616832.db2.gz NWBYYXSFUMHDAA-RKDXNWHRSA-N 2 1 247.289 0.052 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC ZINC000359249918 169069979 /nfs/dbraw/zinc/06/99/79/169069979.db2.gz YFGKXJDETBAERK-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000359249918 169069982 /nfs/dbraw/zinc/06/99/82/169069982.db2.gz YFGKXJDETBAERK-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000359249918 169069983 /nfs/dbraw/zinc/06/99/83/169069983.db2.gz YFGKXJDETBAERK-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)C(C)C ZINC000359260424 169070989 /nfs/dbraw/zinc/07/09/89/169070989.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)C(C)C ZINC000359260424 169070991 /nfs/dbraw/zinc/07/09/91/169070991.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000359260424 169070993 /nfs/dbraw/zinc/07/09/93/169070993.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCc1c[nH]cn1 ZINC000359125783 169073988 /nfs/dbraw/zinc/07/39/88/169073988.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 2 1 210.281 0.368 20 0 BCADMP CCC[N@H+](C)CC(=O)NCc1cnc[nH]1 ZINC000359125783 169073990 /nfs/dbraw/zinc/07/39/90/169073990.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 2 1 210.281 0.368 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCc1cnc[nH]1 ZINC000359125783 169073992 /nfs/dbraw/zinc/07/39/92/169073992.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 2 1 210.281 0.368 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000336648608 169074459 /nfs/dbraw/zinc/07/44/59/169074459.db2.gz CSDBLAHNRKRJCY-SECBINFHSA-N 2 1 201.314 0.039 20 0 BCADMP CCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298581 169076321 /nfs/dbraw/zinc/07/63/21/169076321.db2.gz JHYKJSWNEPPKCU-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336679238 169077302 /nfs/dbraw/zinc/07/73/02/169077302.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336679238 169077304 /nfs/dbraw/zinc/07/73/04/169077304.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336679238 169077306 /nfs/dbraw/zinc/07/73/06/169077306.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336679238 169077308 /nfs/dbraw/zinc/07/73/08/169077308.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000357397421 169064016 /nfs/dbraw/zinc/06/40/16/169064016.db2.gz DVKIRTLVOHJFML-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000357397421 169064018 /nfs/dbraw/zinc/06/40/18/169064018.db2.gz DVKIRTLVOHJFML-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000357397421 169064020 /nfs/dbraw/zinc/06/40/20/169064020.db2.gz DVKIRTLVOHJFML-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CC)CC1 ZINC000358600954 169066648 /nfs/dbraw/zinc/06/66/48/169066648.db2.gz LMLXNZINSUFSMF-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC)CC1 ZINC000358600954 169066649 /nfs/dbraw/zinc/06/66/49/169066649.db2.gz LMLXNZINSUFSMF-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359398421 169067217 /nfs/dbraw/zinc/06/72/17/169067217.db2.gz XRLBDMXLIUMPMW-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497685 169093614 /nfs/dbraw/zinc/09/36/14/169093614.db2.gz XDIKDFVECUFXDH-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@H]1CCC[NH2+]C1 ZINC000043493585 169094472 /nfs/dbraw/zinc/09/44/72/169094472.db2.gz ODYWSLFLNAANNC-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1CCC[NH2+]C1 ZINC000043493585 169094473 /nfs/dbraw/zinc/09/44/73/169094473.db2.gz ODYWSLFLNAANNC-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP O[C@H]1C[N@H+](CCC[NH+]2CCCC2)CC12CC2 ZINC000364864783 183243140 /nfs/dbraw/zinc/24/31/40/183243140.db2.gz VBMLAFQRHKLELG-LBPRGKRZSA-N 2 1 224.348 0.929 20 0 BCADMP O[C@H]1C[N@@H+](CCC[NH+]2CCCC2)CC12CC2 ZINC000364864783 183243141 /nfs/dbraw/zinc/24/31/41/183243141.db2.gz VBMLAFQRHKLELG-LBPRGKRZSA-N 2 1 224.348 0.929 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[NH+](C)C ZINC000359782345 169126941 /nfs/dbraw/zinc/12/69/41/169126941.db2.gz GENJFNXKYBSEEY-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226407330 169120636 /nfs/dbraw/zinc/12/06/36/169120636.db2.gz SXZMWANADPKCRX-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC000356974955 169158517 /nfs/dbraw/zinc/15/85/17/169158517.db2.gz BXTITOHDDAFNJW-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCC)CC1 ZINC000035136285 169189813 /nfs/dbraw/zinc/18/98/13/169189813.db2.gz BVAXHLGFALFTQB-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000367650971 169192377 /nfs/dbraw/zinc/19/23/77/169192377.db2.gz MHEILCNJWZICJA-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000370782828 169192756 /nfs/dbraw/zinc/19/27/56/169192756.db2.gz VKMNYLPMQHSDOZ-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125996998 169194553 /nfs/dbraw/zinc/19/45/53/169194553.db2.gz RMFHSQFVUOTJPI-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236764453 169195729 /nfs/dbraw/zinc/19/57/29/169195729.db2.gz MOYWJKUGABZMNW-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000353986957 169196517 /nfs/dbraw/zinc/19/65/17/169196517.db2.gz LSMVZXBLDDNLSV-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000353986957 169196519 /nfs/dbraw/zinc/19/65/19/169196519.db2.gz LSMVZXBLDDNLSV-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236766102 169197973 /nfs/dbraw/zinc/19/79/73/169197973.db2.gz MOYWJKUGABZMNW-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508164 169198133 /nfs/dbraw/zinc/19/81/33/169198133.db2.gz OSKSWZHBPYCDCM-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000358828132 169198445 /nfs/dbraw/zinc/19/84/45/169198445.db2.gz JZVGGEPQCBZSAI-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C ZINC000120960505 169198572 /nfs/dbraw/zinc/19/85/72/169198572.db2.gz YBEXBYJAOPRQTJ-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178697 169198717 /nfs/dbraw/zinc/19/87/17/169198717.db2.gz MYUDBONJRGQXEA-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249179 169240954 /nfs/dbraw/zinc/24/09/54/169240954.db2.gz LCYWFLFVQHDRKF-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249179 169240956 /nfs/dbraw/zinc/24/09/56/169240956.db2.gz LCYWFLFVQHDRKF-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812640 169388406 /nfs/dbraw/zinc/38/84/06/169388406.db2.gz BCJNEUKROUPJDA-GHMZBOCLSA-N 2 1 225.336 0.420 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503645 169392375 /nfs/dbraw/zinc/39/23/75/169392375.db2.gz WXLANANQACWFBT-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724219 383840665 /nfs/dbraw/zinc/84/06/65/383840665.db2.gz UMBHWLZZYSABFI-VIFPVBQESA-N 2 1 200.282 0.220 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816825 383864693 /nfs/dbraw/zinc/86/46/93/383864693.db2.gz BNUQGNRDEBSXHJ-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449148488 384016462 /nfs/dbraw/zinc/01/64/62/384016462.db2.gz TWVMDNAFDHJIBU-TUAOUCFPSA-N 2 1 241.379 0.973 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000401786871 384005297 /nfs/dbraw/zinc/00/52/97/384005297.db2.gz DUCBPEGWHFULMO-NSHDSACASA-N 3 1 222.336 0.504 20 0 BCADMP C[NH2+]C[C@@H]1CCN(CCc2cncn2C)C1 ZINC000401786871 384005301 /nfs/dbraw/zinc/00/53/01/384005301.db2.gz DUCBPEGWHFULMO-NSHDSACASA-N 3 1 222.336 0.504 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186830224 384026464 /nfs/dbraw/zinc/02/64/64/384026464.db2.gz RUCUIRFNAMFXMQ-MNOVXSKESA-N 2 1 227.352 0.441 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000558467962 384029401 /nfs/dbraw/zinc/02/94/01/384029401.db2.gz DHPSJRVEUFEHCS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000558467962 384029405 /nfs/dbraw/zinc/02/94/05/384029405.db2.gz DHPSJRVEUFEHCS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000558467960 384029705 /nfs/dbraw/zinc/02/97/05/384029705.db2.gz DHPSJRVEUFEHCS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000558467960 384029711 /nfs/dbraw/zinc/02/97/11/384029711.db2.gz DHPSJRVEUFEHCS-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH3+] ZINC000648129663 384088104 /nfs/dbraw/zinc/08/81/04/384088104.db2.gz TYBXXUIDYFLPMZ-UWVGGRQHSA-N 2 1 238.335 0.860 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000401812730 384055831 /nfs/dbraw/zinc/05/58/31/384055831.db2.gz VIDDOGCTMMNCBU-JTQLQIEISA-N 2 1 208.309 0.243 20 0 BCADMP CCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304749 384063770 /nfs/dbraw/zinc/06/37/70/384063770.db2.gz LVGBHENZCPNJQB-LBPRGKRZSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000648128834 384072154 /nfs/dbraw/zinc/07/21/54/384072154.db2.gz SVLNFRIAJOKTDW-WISYIIOYSA-N 2 1 239.363 0.583 20 0 BCADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000358737958 384118621 /nfs/dbraw/zinc/11/86/21/384118621.db2.gz ALJDNDNTZFBVOP-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000528437766 384094932 /nfs/dbraw/zinc/09/49/32/384094932.db2.gz ROGPAUOSCWRAAY-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000528437766 384094937 /nfs/dbraw/zinc/09/49/37/384094937.db2.gz ROGPAUOSCWRAAY-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302355547 384149201 /nfs/dbraw/zinc/14/92/01/384149201.db2.gz KMTHFQXLKPDDJC-NSHDSACASA-N 2 1 245.367 0.150 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[N@H+]1C ZINC000648137664 384158451 /nfs/dbraw/zinc/15/84/51/384158451.db2.gz BJHDLYYWRSRIGH-YTWAJWBKSA-N 2 1 225.336 0.275 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000648138539 384163367 /nfs/dbraw/zinc/16/33/67/384163367.db2.gz KBNHOUGOCKSAHB-JGVFFNPUSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000163208867 384165391 /nfs/dbraw/zinc/16/53/91/384165391.db2.gz OJSSRNKBDSNBCQ-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000163208867 384165396 /nfs/dbraw/zinc/16/53/96/384165396.db2.gz OJSSRNKBDSNBCQ-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000302447059 384178293 /nfs/dbraw/zinc/17/82/93/384178293.db2.gz USYVBBMJBKDHEH-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000302447059 384178297 /nfs/dbraw/zinc/17/82/97/384178297.db2.gz USYVBBMJBKDHEH-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000081069214 384180299 /nfs/dbraw/zinc/18/02/99/384180299.db2.gz ULDUAJMHCCCXMW-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357320553 384203322 /nfs/dbraw/zinc/20/33/22/384203322.db2.gz YJUCRSIBSRLXBD-WZRBSPASSA-N 2 1 241.379 0.829 20 0 BCADMP C[C@H](C(=O)NCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237450038 384203516 /nfs/dbraw/zinc/20/35/16/384203516.db2.gz OQBXKGXQODXXMV-LLVKDONJSA-N 2 1 247.342 0.508 20 0 BCADMP C[C@H](C(=O)NCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237450038 384203520 /nfs/dbraw/zinc/20/35/20/384203520.db2.gz OQBXKGXQODXXMV-LLVKDONJSA-N 2 1 247.342 0.508 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000163243560 384188748 /nfs/dbraw/zinc/18/87/48/384188748.db2.gz KVIDNTHIHMHLKE-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000163243560 384188752 /nfs/dbraw/zinc/18/87/52/384188752.db2.gz KVIDNTHIHMHLKE-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000309456218 384190320 /nfs/dbraw/zinc/19/03/20/384190320.db2.gz MMWMNXXMGHGQNQ-NEPJUHHUSA-N 2 1 228.336 0.068 20 0 BCADMP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000309456218 384190322 /nfs/dbraw/zinc/19/03/22/384190322.db2.gz MMWMNXXMGHGQNQ-NEPJUHHUSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000237439110 384199325 /nfs/dbraw/zinc/19/93/25/384199325.db2.gz KMUMTAGCFPKNHL-BDAKNGLRSA-N 2 1 211.309 0.077 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221300004 384199868 /nfs/dbraw/zinc/19/98/68/384199868.db2.gz UFJRPTZJWCJOQR-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221300004 384199874 /nfs/dbraw/zinc/19/98/74/384199874.db2.gz UFJRPTZJWCJOQR-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@@H]1CCCC[NH2+]1 ZINC000333346471 384270370 /nfs/dbraw/zinc/27/03/70/384270370.db2.gz ZIGXACVIHGGJSJ-UTUOFQBUSA-N 2 1 249.362 0.713 20 0 BCADMP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228546374 384273092 /nfs/dbraw/zinc/27/30/92/384273092.db2.gz FKYTXVFCGSVHOO-UKKRHICBSA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228546374 384273099 /nfs/dbraw/zinc/27/30/99/384273099.db2.gz FKYTXVFCGSVHOO-UKKRHICBSA-N 2 1 226.320 0.607 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507242 384314480 /nfs/dbraw/zinc/31/44/80/384314480.db2.gz MHKVOUOOVQLBRA-JQWIXIFHSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507242 384314488 /nfs/dbraw/zinc/31/44/88/384314488.db2.gz MHKVOUOOVQLBRA-JQWIXIFHSA-N 3 1 227.352 0.034 20 0 BCADMP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336633833 384284753 /nfs/dbraw/zinc/28/47/53/384284753.db2.gz ULGWJOJYYIVYIV-RKDXNWHRSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352342759 384293683 /nfs/dbraw/zinc/29/36/83/384293683.db2.gz XZEHBVBCIXGKFH-NQBHXWOUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352342759 384293704 /nfs/dbraw/zinc/29/37/04/384293704.db2.gz XZEHBVBCIXGKFH-NQBHXWOUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352342759 384293709 /nfs/dbraw/zinc/29/37/09/384293709.db2.gz XZEHBVBCIXGKFH-NQBHXWOUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352342759 384293717 /nfs/dbraw/zinc/29/37/17/384293717.db2.gz XZEHBVBCIXGKFH-NQBHXWOUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000083219228 384293948 /nfs/dbraw/zinc/29/39/48/384293948.db2.gz LLXZYRHARDUHEA-WAAKLRNESA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773194 384294166 /nfs/dbraw/zinc/29/41/66/384294166.db2.gz NAVSNAVGFMAKOW-FIQHERPVSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773193 384294267 /nfs/dbraw/zinc/29/42/67/384294267.db2.gz NAVSNAVGFMAKOW-BJDJZHNGSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335494402 384299786 /nfs/dbraw/zinc/29/97/86/384299786.db2.gz GAJMPEXXHBBXDP-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000237589501 384303201 /nfs/dbraw/zinc/30/32/01/384303201.db2.gz FKNVQCUKBXYISZ-MXWKQRLJSA-N 2 1 237.347 0.337 20 0 BCADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C ZINC000300354968 384355899 /nfs/dbraw/zinc/35/58/99/384355899.db2.gz LAJDIELQEJRPFV-VXGBXAGGSA-N 2 1 213.369 0.996 20 0 BCADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000564993128 384362931 /nfs/dbraw/zinc/36/29/31/384362931.db2.gz XYGPVJVPESPTLB-LBPRGKRZSA-N 2 1 248.330 0.164 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000405529989 384405650 /nfs/dbraw/zinc/40/56/50/384405650.db2.gz MHHVWRLXSWGQSV-VXGBXAGGSA-N 2 1 238.335 0.248 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000405541816 384420141 /nfs/dbraw/zinc/42/01/41/384420141.db2.gz SNLHWMNTXRMFDC-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC[N@H+]1C ZINC000648145977 384455093 /nfs/dbraw/zinc/45/50/93/384455093.db2.gz GZZBZLPHDZCPOF-IWSPIJDZSA-N 2 1 249.305 0.425 20 0 BCADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000082605315 384434172 /nfs/dbraw/zinc/43/41/72/384434172.db2.gz FASSJBUZQMKEAH-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000082605315 384434177 /nfs/dbraw/zinc/43/41/77/384434177.db2.gz FASSJBUZQMKEAH-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082645451 384438665 /nfs/dbraw/zinc/43/86/65/384438665.db2.gz XYBLZQQHYSDWIU-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH3+])C2)CC[N@H+]1C ZINC000648146810 384496069 /nfs/dbraw/zinc/49/60/69/384496069.db2.gz ZVODAMKJONKPBD-AGVGLQIMSA-N 2 1 225.336 0.275 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000357410988 384497095 /nfs/dbraw/zinc/49/70/95/384497095.db2.gz JOVSNKZHUWBVRA-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000357410988 384497102 /nfs/dbraw/zinc/49/71/02/384497102.db2.gz JOVSNKZHUWBVRA-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000357410988 384497106 /nfs/dbraw/zinc/49/71/06/384497106.db2.gz JOVSNKZHUWBVRA-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP OCCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150797099 384504861 /nfs/dbraw/zinc/50/48/61/384504861.db2.gz PTPXASAOXCXNDW-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP OCCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150797099 384504866 /nfs/dbraw/zinc/50/48/66/384504866.db2.gz PTPXASAOXCXNDW-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343496 384534288 /nfs/dbraw/zinc/53/42/88/384534288.db2.gz WVNGFJPWJUQAJQ-DCAQKATOSA-N 2 1 227.352 0.428 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343496 384534293 /nfs/dbraw/zinc/53/42/93/384534293.db2.gz WVNGFJPWJUQAJQ-DCAQKATOSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)C2(C[NH3+])CCC2)CC[N@H+]1C ZINC000648147276 384522497 /nfs/dbraw/zinc/52/24/97/384522497.db2.gz BGXOZGNTIGUNNV-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249975955 384529968 /nfs/dbraw/zinc/52/99/68/384529968.db2.gz PZTHTAFKXGNQHA-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249975955 384529972 /nfs/dbraw/zinc/52/99/72/384529972.db2.gz PZTHTAFKXGNQHA-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP [NH3+]Cc1nc(C(=O)NC[C@H]2CCC[NH2+]2)cs1 ZINC000178772061 384531933 /nfs/dbraw/zinc/53/19/33/384531933.db2.gz SUYQVLLAAQDBBI-SSDOTTSWSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236649042 384542253 /nfs/dbraw/zinc/54/22/53/384542253.db2.gz GCNFKSUVZGAKQQ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)CC[N@H+]1C ZINC000183639542 384544401 /nfs/dbraw/zinc/54/44/01/384544401.db2.gz KGAJNSNGQRRPAF-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772543 384556046 /nfs/dbraw/zinc/55/60/46/384556046.db2.gz MOYWJKUGABZMNW-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)C[N@@H+](C)C(C)C ZINC000236759005 384561986 /nfs/dbraw/zinc/56/19/86/384561986.db2.gz HAMRSSHYFTYRBW-UHFFFAOYSA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000236841265 384590260 /nfs/dbraw/zinc/59/02/60/384590260.db2.gz IEMZVEDCPAOTMG-LLVKDONJSA-N 2 1 229.368 0.816 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000309792108 384613266 /nfs/dbraw/zinc/61/32/66/384613266.db2.gz PKEMBASMOAHNAM-CMPLNLGQSA-N 2 1 227.352 0.442 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000647538210 384665831 /nfs/dbraw/zinc/66/58/31/384665831.db2.gz JCSDBFATADXDGK-NWDGAFQWSA-N 2 1 235.335 0.525 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000647538317 384668832 /nfs/dbraw/zinc/66/88/32/384668832.db2.gz MXBRSVYATVUGGC-GFCCVEGCSA-N 2 1 235.335 0.525 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363599735 384650188 /nfs/dbraw/zinc/65/01/88/384650188.db2.gz GLURLAQGZJJBAI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cccnc1 ZINC000086435400 384651393 /nfs/dbraw/zinc/65/13/93/384651393.db2.gz ZBYYGDOEHBFWMM-UHFFFAOYSA-N 2 1 209.293 0.489 20 0 BCADMP C[N@H+](CCO)CC[C@H]1CCCC[NH+]1C ZINC000049633840 384678307 /nfs/dbraw/zinc/67/83/07/384678307.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[N@@H+](CCO)CC[C@H]1CCCC[NH+]1C ZINC000049633840 384678318 /nfs/dbraw/zinc/67/83/18/384678318.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCO)CC[C@H]1CCCC[N@@H+]1C ZINC000049633840 384678323 /nfs/dbraw/zinc/67/83/23/384678323.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCO)CC[C@H]1CCCC[N@H+]1C ZINC000049633840 384678334 /nfs/dbraw/zinc/67/83/34/384678334.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444175834 384680942 /nfs/dbraw/zinc/68/09/42/384680942.db2.gz MFUBIUSLUBFCLG-SCDSUCTJSA-N 2 1 249.358 0.339 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155498 384727489 /nfs/dbraw/zinc/72/74/89/384727489.db2.gz FWXRCUMDZQOMGH-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155498 384727493 /nfs/dbraw/zinc/72/74/93/384727493.db2.gz FWXRCUMDZQOMGH-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546138 384728819 /nfs/dbraw/zinc/72/88/19/384728819.db2.gz AMGFQMPPXOODSY-FDYHWXHSSA-N 2 1 225.380 0.947 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000236874801 384729857 /nfs/dbraw/zinc/72/98/57/384729857.db2.gz WWWRYYREMVSOPO-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)CC[C@H]12 ZINC000647546841 384732738 /nfs/dbraw/zinc/73/27/38/384732738.db2.gz DHLZCDWZJQAELI-FDYHWXHSSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000647546642 384732820 /nfs/dbraw/zinc/73/28/20/384732820.db2.gz TUJVLDPSDZZTQA-TUAOUCFPSA-N 3 1 211.353 0.574 20 0 BCADMP CCN[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546798 384734356 /nfs/dbraw/zinc/73/43/56/384734356.db2.gz BTIAGDVDDZHGRM-MROQNXINSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000647546640 384734377 /nfs/dbraw/zinc/73/43/77/384734377.db2.gz TUJVLDPSDZZTQA-SDDRHHMPSA-N 3 1 211.353 0.574 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647546786 384734468 /nfs/dbraw/zinc/73/44/68/384734468.db2.gz BEDZUIQJUJYMJX-IJLUTSLNSA-N 2 1 223.364 0.846 20 0 BCADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000647546986 384736072 /nfs/dbraw/zinc/73/60/72/384736072.db2.gz JLOBRQRQYKPOTH-NWDGAFQWSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547395 384737726 /nfs/dbraw/zinc/73/77/26/384737726.db2.gz VBKSSLXSFUVILU-HHHUOAJASA-N 2 1 211.353 0.700 20 0 BCADMP C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547398 384738077 /nfs/dbraw/zinc/73/80/77/384738077.db2.gz VBKSSLXSFUVILU-UHFZAUJKSA-N 2 1 211.353 0.700 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000108890549 384758645 /nfs/dbraw/zinc/75/86/45/384758645.db2.gz CAOSQGADMNORBA-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327208 384765964 /nfs/dbraw/zinc/76/59/64/384765964.db2.gz SLWOVJPURIINBS-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C2CC2)CC[N@H+]1C ZINC000648203660 384834146 /nfs/dbraw/zinc/83/41/46/384834146.db2.gz XPBDPFRKKZAFBE-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000126852073 384837067 /nfs/dbraw/zinc/83/70/67/384837067.db2.gz CMSMWNHMKDJTOC-CHWSQXEVSA-N 2 1 247.342 0.767 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1ccnc1 ZINC000557151384 384845804 /nfs/dbraw/zinc/84/58/04/384845804.db2.gz FWCGSVDWFUOLTB-WDEREUQCSA-N 2 1 236.319 0.434 20 0 BCADMP C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1ccnc1 ZINC000557151384 384845809 /nfs/dbraw/zinc/84/58/09/384845809.db2.gz FWCGSVDWFUOLTB-WDEREUQCSA-N 2 1 236.319 0.434 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851895 /nfs/dbraw/zinc/85/18/95/384851895.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851902 /nfs/dbraw/zinc/85/19/02/384851902.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851910 /nfs/dbraw/zinc/85/19/10/384851910.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548013 384951818 /nfs/dbraw/zinc/95/18/18/384951818.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CN[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000644548013 384951822 /nfs/dbraw/zinc/95/18/22/384951822.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CN[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000644548013 384951829 /nfs/dbraw/zinc/95/18/29/384951829.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 1 241.379 0.125 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH3+] ZINC000647605524 384929215 /nfs/dbraw/zinc/92/92/15/384929215.db2.gz QFPDBBUZXSQXNM-VIFPVBQESA-N 2 1 224.308 0.472 20 0 BCADMP CC(C)[C@@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257773223 384929723 /nfs/dbraw/zinc/92/97/23/384929723.db2.gz DSKSEXCKEKXRMT-STQMWFEESA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000257773223 384929727 /nfs/dbraw/zinc/92/97/27/384929727.db2.gz DSKSEXCKEKXRMT-STQMWFEESA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2CC[NH2+]CC2)CC[N@H+]1C ZINC000647605740 384931298 /nfs/dbraw/zinc/93/12/98/384931298.db2.gz TYLSYNZJPFSLRA-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226086335 384932324 /nfs/dbraw/zinc/93/23/24/384932324.db2.gz YRGDUHRTSZKUQO-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]CCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258815909 384940327 /nfs/dbraw/zinc/94/03/27/384940327.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 1 213.369 0.870 20 0 BCADMP Cc1ccsc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000258783808 384943727 /nfs/dbraw/zinc/94/37/27/384943727.db2.gz BOOFNQUVEJMHLG-SECBINFHSA-N 2 1 214.334 0.808 20 0 BCADMP Cc1ccsc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000258783808 384943731 /nfs/dbraw/zinc/94/37/31/384943731.db2.gz BOOFNQUVEJMHLG-SECBINFHSA-N 2 1 214.334 0.808 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O)C1CC1 ZINC000310290928 384944711 /nfs/dbraw/zinc/94/47/11/384944711.db2.gz ROEBDYVKGRRPFH-LLVKDONJSA-N 2 1 244.379 0.581 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O)C1CC1 ZINC000310290928 384944715 /nfs/dbraw/zinc/94/47/15/384944715.db2.gz ROEBDYVKGRRPFH-LLVKDONJSA-N 2 1 244.379 0.581 20 0 BCADMP C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000644563539 384969902 /nfs/dbraw/zinc/96/99/02/384969902.db2.gz VIGFNNANCVKZOF-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)O ZINC000564845145 384974712 /nfs/dbraw/zinc/97/47/12/384974712.db2.gz QAMLOZJHZAJDKB-ZJUUUORDSA-N 2 1 211.309 0.941 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000565775441 384977932 /nfs/dbraw/zinc/97/79/32/384977932.db2.gz SYTOZADCVMCXMK-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP CSCC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000156822114 384981336 /nfs/dbraw/zinc/98/13/36/384981336.db2.gz XCAPXYMEASZHJT-GFCCVEGCSA-N 2 1 245.436 0.965 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156824364 384985319 /nfs/dbraw/zinc/98/53/19/384985319.db2.gz WMZDSUPPKAJHAR-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156824629 384985917 /nfs/dbraw/zinc/98/59/17/384985917.db2.gz WMZDSUPPKAJHAR-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474088 384997160 /nfs/dbraw/zinc/99/71/60/384997160.db2.gz PQBYOKNTKILGRZ-GXSJLCMTSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@H](CNC(=O)C(C)(C)C[NH3+])[N@@H+](C)C1CC1 ZINC000226398883 385007536 /nfs/dbraw/zinc/00/75/36/385007536.db2.gz IAOMCVWFVBYGKY-SECBINFHSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH2+]C ZINC000226396394 385009076 /nfs/dbraw/zinc/00/90/76/385009076.db2.gz MAHYQLDDQLGGRV-LLVKDONJSA-N 2 1 229.368 0.833 20 0 BCADMP CN(C[C@H](O)C[N@@H+](CCO)C1CCC1)C1CC1 ZINC000310374933 385014497 /nfs/dbraw/zinc/01/44/97/385014497.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@H](O)CN(CCO)C1CCC1)C1CC1 ZINC000310374933 385014502 /nfs/dbraw/zinc/01/45/02/385014502.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)CN(CCO)C1CCC1)C1CC1 ZINC000310374933 385014506 /nfs/dbraw/zinc/01/45/06/385014506.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+](CCO)C1CCC1)C1CC1 ZINC000310374933 385014511 /nfs/dbraw/zinc/01/45/11/385014511.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+](CCO)C1CCC1)C1CC1 ZINC000310374933 385014513 /nfs/dbraw/zinc/01/45/13/385014513.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](CCO)C1CCC1)C1CC1 ZINC000310374933 385014520 /nfs/dbraw/zinc/01/45/20/385014520.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](CCO)C1CCC1)C1CC1 ZINC000310374933 385014523 /nfs/dbraw/zinc/01/45/23/385014523.db2.gz YXHJYQFRMSAOSR-ZDUSSCGKSA-N 2 1 242.363 0.288 20 0 BCADMP CO[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373913 385015222 /nfs/dbraw/zinc/01/52/22/385015222.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1CCC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000310373913 385015227 /nfs/dbraw/zinc/01/52/27/385015227.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000310373913 385015230 /nfs/dbraw/zinc/01/52/30/385015230.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 1 242.363 0.552 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300876531 385015312 /nfs/dbraw/zinc/01/53/12/385015312.db2.gz NWFKVZRTXYMWLV-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300876531 385015314 /nfs/dbraw/zinc/01/53/14/385015314.db2.gz NWFKVZRTXYMWLV-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373912 385015403 /nfs/dbraw/zinc/01/54/03/385015403.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1CCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000310373912 385015410 /nfs/dbraw/zinc/01/54/10/385015410.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000310373912 385015418 /nfs/dbraw/zinc/01/54/18/385015418.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 1 242.363 0.552 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404759379 385052726 /nfs/dbraw/zinc/05/27/26/385052726.db2.gz BGPFNZCWDXBBBS-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157032374 385053309 /nfs/dbraw/zinc/05/33/09/385053309.db2.gz YZAWMINZWHBKMT-NNYUYHANSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669051 385085182 /nfs/dbraw/zinc/08/51/82/385085182.db2.gz GBURKBASCGYWBD-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080993432 385054985 /nfs/dbraw/zinc/05/49/85/385054985.db2.gz XVYGKWCNDGUBLF-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000646917150 385058623 /nfs/dbraw/zinc/05/86/23/385058623.db2.gz YLYFLQNXPHPMIS-GARJFASQSA-N 2 1 225.336 0.099 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000647640470 385064933 /nfs/dbraw/zinc/06/49/33/385064933.db2.gz LSXRBVUXAQYTKV-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000646937797 385068921 /nfs/dbraw/zinc/06/89/21/385068921.db2.gz SSPBDLUECQIRPY-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406171 385044336 /nfs/dbraw/zinc/04/43/36/385044336.db2.gz OFRCXLWAZYWEHF-QWHCGFSZSA-N 2 1 234.347 0.733 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406171 385044345 /nfs/dbraw/zinc/04/43/45/385044345.db2.gz OFRCXLWAZYWEHF-QWHCGFSZSA-N 2 1 234.347 0.733 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000530832001 385102940 /nfs/dbraw/zinc/10/29/40/385102940.db2.gz RYEJKSFMPHGGGY-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976857 385105172 /nfs/dbraw/zinc/10/51/72/385105172.db2.gz YMMTWWNMIQIEAH-GFCCVEGCSA-N 2 1 237.347 0.507 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820444 385191248 /nfs/dbraw/zinc/19/12/48/385191248.db2.gz BUCSCEMCEOFQOY-IUCAKERBSA-N 2 1 222.279 0.673 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647011700 385145724 /nfs/dbraw/zinc/14/57/24/385145724.db2.gz JAFHMLUIZREBNJ-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404901357 385154979 /nfs/dbraw/zinc/15/49/79/385154979.db2.gz QDQQACJODQRRIK-RKDXNWHRSA-N 2 1 213.325 0.226 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404901340 385155514 /nfs/dbraw/zinc/15/55/14/385155514.db2.gz QDQQACJODQRRIK-BDAKNGLRSA-N 2 1 213.325 0.226 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064863 385210614 /nfs/dbraw/zinc/21/06/14/385210614.db2.gz QZMLBHPQQVSGEU-SKDRFNHKSA-N 2 1 243.326 0.144 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000308849320 385211253 /nfs/dbraw/zinc/21/12/53/385211253.db2.gz QPXYRKNSYMFZMT-ZETCQYMHSA-N 2 1 223.267 0.037 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713425 385222211 /nfs/dbraw/zinc/22/22/11/385222211.db2.gz PCVICTWTULQXCN-GHMZBOCLSA-N 2 1 227.352 0.441 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713425 385222219 /nfs/dbraw/zinc/22/22/19/385222219.db2.gz PCVICTWTULQXCN-GHMZBOCLSA-N 2 1 227.352 0.441 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164667977 385223629 /nfs/dbraw/zinc/22/36/29/385223629.db2.gz MFXAQKBBFSEAQD-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164667977 385223635 /nfs/dbraw/zinc/22/36/35/385223635.db2.gz MFXAQKBBFSEAQD-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164670950 385225639 /nfs/dbraw/zinc/22/56/39/385225639.db2.gz LUYVQBQPOCSJOK-NEPJUHHUSA-N 2 1 230.352 0.566 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000164668838 385226880 /nfs/dbraw/zinc/22/68/80/385226880.db2.gz BHQPTPZAEVBQJL-ZJUUUORDSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000164668838 385226889 /nfs/dbraw/zinc/22/68/89/385226889.db2.gz BHQPTPZAEVBQJL-ZJUUUORDSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246747283 385227839 /nfs/dbraw/zinc/22/78/39/385227839.db2.gz ZMLYDHBTEYQVGX-AXFHLTTASA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000259321751 385242614 /nfs/dbraw/zinc/24/26/14/385242614.db2.gz XEYWCNUWCVWWBF-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000336396963 385254060 /nfs/dbraw/zinc/25/40/60/385254060.db2.gz VFEKGVYSJWNQKJ-SCZZXKLOSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000308965153 385316165 /nfs/dbraw/zinc/31/61/65/385316165.db2.gz UYKFYRWOCVEBEN-KKOKHZNYSA-N 2 1 212.337 0.830 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000308965951 385319089 /nfs/dbraw/zinc/31/90/89/385319089.db2.gz VPNSDUZXPUMSRP-ZJUUUORDSA-N 2 1 218.341 0.312 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000166641358 385266877 /nfs/dbraw/zinc/26/68/77/385266877.db2.gz FXPMQDUWIFDDCV-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157783309 385277518 /nfs/dbraw/zinc/27/75/18/385277518.db2.gz JNABZFOLBXJJQB-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP CC[N@H+](CCC(=O)OC)CC(C)(C)[NH3+] ZINC000309114361 385284535 /nfs/dbraw/zinc/28/45/35/385284535.db2.gz KVGVNWBIQSEPEZ-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CC[N@@H+](CCC(=O)OC)CC(C)(C)[NH3+] ZINC000309114361 385284541 /nfs/dbraw/zinc/28/45/41/385284541.db2.gz KVGVNWBIQSEPEZ-UHFFFAOYSA-N 2 1 202.298 0.609 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332945 /nfs/dbraw/zinc/33/29/45/385332945.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 2 1 243.395 0.230 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000259355364 385336945 /nfs/dbraw/zinc/33/69/45/385336945.db2.gz ZAKOHJVXVMVFCN-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+]1C[C@@H]2CCN(Cc3cnc[nH]3)[C@@H]2C1 ZINC000644733716 385353443 /nfs/dbraw/zinc/35/34/43/385353443.db2.gz LHLXMPGXAYPOBS-GXSJLCMTSA-N 2 1 206.293 0.546 20 0 BCADMP C[N@H+]1C[C@@H]2CCN(Cc3cnc[nH]3)[C@@H]2C1 ZINC000644733716 385353446 /nfs/dbraw/zinc/35/34/46/385353446.db2.gz LHLXMPGXAYPOBS-GXSJLCMTSA-N 2 1 206.293 0.546 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000309012447 385360508 /nfs/dbraw/zinc/36/05/08/385360508.db2.gz SGZRMGBDFZAQJI-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000309012447 385360517 /nfs/dbraw/zinc/36/05/17/385360517.db2.gz SGZRMGBDFZAQJI-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000405227082 385386301 /nfs/dbraw/zinc/38/63/01/385386301.db2.gz OZIMAQHZKPGYHC-UWVGGRQHSA-N 2 1 225.336 0.228 20 0 BCADMP CC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000020194516 385422312 /nfs/dbraw/zinc/42/23/12/385422312.db2.gz OBAOBRKRKPBUJB-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP CCN(C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309102854 385423153 /nfs/dbraw/zinc/42/31/53/385423153.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CCN(C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309102854 385423156 /nfs/dbraw/zinc/42/31/56/385423156.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309102854 385423161 /nfs/dbraw/zinc/42/31/61/385423161.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309102854 385423164 /nfs/dbraw/zinc/42/31/64/385423164.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309102854 385423167 /nfs/dbraw/zinc/42/31/67/385423167.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309102854 385423171 /nfs/dbraw/zinc/42/31/71/385423171.db2.gz KDRLBWGZUZIUDM-GFCCVEGCSA-N 2 1 212.337 0.926 20 0 BCADMP CC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000020194519 385423243 /nfs/dbraw/zinc/42/32/43/385423243.db2.gz OBAOBRKRKPBUJB-SNVBAGLBSA-N 2 1 200.326 0.831 20 0 BCADMP CC(C)CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405294822 385457070 /nfs/dbraw/zinc/45/70/70/385457070.db2.gz FTUMXPOVXPJPNM-UWVGGRQHSA-N 2 1 227.352 0.474 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cncn1 ZINC000309210010 385479625 /nfs/dbraw/zinc/47/96/25/385479625.db2.gz NQDJZCGKVCEOMT-GHMZBOCLSA-N 2 1 223.324 0.208 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309204493 385479992 /nfs/dbraw/zinc/47/99/92/385479992.db2.gz AWMXYPZIGFNNQN-NWDGAFQWSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309204493 385479993 /nfs/dbraw/zinc/47/99/93/385479993.db2.gz AWMXYPZIGFNNQN-NWDGAFQWSA-N 2 1 230.352 0.048 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000257675140 385484406 /nfs/dbraw/zinc/48/44/06/385484406.db2.gz HKVQMEPZRSGTNU-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000257698332 385489145 /nfs/dbraw/zinc/48/91/45/385489145.db2.gz NNJYCXGRGOTARH-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000644811870 385517289 /nfs/dbraw/zinc/51/72/89/385517289.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000644811870 385517294 /nfs/dbraw/zinc/51/72/94/385517294.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000644811870 385517298 /nfs/dbraw/zinc/51/72/98/385517298.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 2 1 237.347 0.101 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257706928 385489620 /nfs/dbraw/zinc/48/96/20/385489620.db2.gz QGKKFELOMALKMF-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309351853 385544369 /nfs/dbraw/zinc/54/43/69/385544369.db2.gz NGVCLGCUWNVVQE-NEPJUHHUSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSC1 ZINC000309382902 385556494 /nfs/dbraw/zinc/55/64/94/385556494.db2.gz GSVDOJMGFUBZRO-NWDGAFQWSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCSC1 ZINC000309382902 385556496 /nfs/dbraw/zinc/55/64/96/385556496.db2.gz GSVDOJMGFUBZRO-NWDGAFQWSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCSC1)C1CC1 ZINC000309382902 385556499 /nfs/dbraw/zinc/55/64/99/385556499.db2.gz GSVDOJMGFUBZRO-NWDGAFQWSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCSC1)C1CC1 ZINC000309382902 385556501 /nfs/dbraw/zinc/55/65/01/385556501.db2.gz GSVDOJMGFUBZRO-NWDGAFQWSA-N 2 1 244.404 0.879 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000309463240 385593441 /nfs/dbraw/zinc/59/34/41/385593441.db2.gz VCVLGGVVBSVHMT-GFCCVEGCSA-N 2 1 225.336 0.280 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000309463240 385593444 /nfs/dbraw/zinc/59/34/44/385593444.db2.gz VCVLGGVVBSVHMT-GFCCVEGCSA-N 2 1 225.336 0.280 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)N ZINC000063125143 385596859 /nfs/dbraw/zinc/59/68/59/385596859.db2.gz HFSHNXCIWWRXEC-UHFFFAOYSA-N 3 1 213.369 0.997 20 0 BCADMP CN(CC1CC[NH+](C)CC1)CC(C)(C)[NH3+] ZINC000063125143 385596864 /nfs/dbraw/zinc/59/68/64/385596864.db2.gz HFSHNXCIWWRXEC-UHFFFAOYSA-N 3 1 213.369 0.997 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000309471532 385600692 /nfs/dbraw/zinc/60/06/92/385600692.db2.gz RBBDFKFSKXUWKE-JTQLQIEISA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000309456001 385587806 /nfs/dbraw/zinc/58/78/06/385587806.db2.gz NPXLWGQOYRKUJH-WDEREUQCSA-N 2 1 223.320 0.977 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354020030 385588333 /nfs/dbraw/zinc/58/83/33/385588333.db2.gz NCSNYULGZPYILO-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644820554 385608050 /nfs/dbraw/zinc/60/80/50/385608050.db2.gz XPIXCAWIOGATKP-SRVKXCTJSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000644820554 385608055 /nfs/dbraw/zinc/60/80/55/385608055.db2.gz XPIXCAWIOGATKP-SRVKXCTJSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000644820554 385608060 /nfs/dbraw/zinc/60/80/60/385608060.db2.gz XPIXCAWIOGATKP-SRVKXCTJSA-N 2 1 237.347 0.243 20 0 BCADMP C[N@@H+](CCNC(=O)CCC[NH3+])Cc1ccccc1 ZINC000263265971 385664808 /nfs/dbraw/zinc/66/48/08/385664808.db2.gz NRSOFPHLQYXRIM-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000182297019 385644991 /nfs/dbraw/zinc/64/49/91/385644991.db2.gz NVFUAVBVSMXLGC-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CCCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336737824 385647763 /nfs/dbraw/zinc/64/77/63/385647763.db2.gz JSUFIRCMTPXYQS-ZDUSSCGKSA-N 2 1 222.332 0.871 20 0 BCADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337433567 385657467 /nfs/dbraw/zinc/65/74/67/385657467.db2.gz BMXSCUASBPLHGH-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000337437048 385660074 /nfs/dbraw/zinc/66/00/74/385660074.db2.gz BKJLZSIHYAIEGA-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000337437048 385660081 /nfs/dbraw/zinc/66/00/81/385660081.db2.gz BKJLZSIHYAIEGA-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645263118 385701717 /nfs/dbraw/zinc/70/17/17/385701717.db2.gz HPPNRUWMQZLXNJ-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645263119 385701952 /nfs/dbraw/zinc/70/19/52/385701952.db2.gz HPPNRUWMQZLXNJ-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000337565035 385710943 /nfs/dbraw/zinc/71/09/43/385710943.db2.gz PORLGJDAJRIRRA-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C)[C@H](C)C1 ZINC000414859810 385739387 /nfs/dbraw/zinc/73/93/87/385739387.db2.gz NXGOWGFHKOAHSV-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C)[C@H](C)C1 ZINC000414859810 385739393 /nfs/dbraw/zinc/73/93/93/385739393.db2.gz NXGOWGFHKOAHSV-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C)[C@H](C)C1 ZINC000414859810 385739395 /nfs/dbraw/zinc/73/93/95/385739395.db2.gz NXGOWGFHKOAHSV-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000282401732 385757811 /nfs/dbraw/zinc/75/78/11/385757811.db2.gz PRVNEAGHKDIKRD-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP C[N@@H+](CCNC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000337736886 385767481 /nfs/dbraw/zinc/76/74/81/385767481.db2.gz RWIHNLULEBKITB-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590025 385720999 /nfs/dbraw/zinc/72/09/99/385720999.db2.gz UNLDDVXFPZMMPI-MWLCHTKSSA-N 2 1 241.360 0.860 20 0 BCADMP CC[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000270597145 385722716 /nfs/dbraw/zinc/72/27/16/385722716.db2.gz GEZZQCQIPOVMER-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP CC[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000270597145 385722718 /nfs/dbraw/zinc/72/27/18/385722718.db2.gz GEZZQCQIPOVMER-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336690961 385724364 /nfs/dbraw/zinc/72/43/64/385724364.db2.gz WOUZJSSESMXAKJ-HBNTYKKESA-N 2 1 246.376 0.090 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336690961 385724366 /nfs/dbraw/zinc/72/43/66/385724366.db2.gz WOUZJSSESMXAKJ-HBNTYKKESA-N 2 1 246.376 0.090 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH+](C)C ZINC000112401203 385834317 /nfs/dbraw/zinc/83/43/17/385834317.db2.gz JUKFINXFSHDMQA-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP C[N@@H+]1CC=C(CNC(=O)CCn2ccnc2)CC1 ZINC000271903441 385858571 /nfs/dbraw/zinc/85/85/71/385858571.db2.gz QHBNRKXWVWDDMH-UHFFFAOYSA-N 2 1 248.330 0.651 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000647842500 385891084 /nfs/dbraw/zinc/89/10/84/385891084.db2.gz FEFFLJKACFMAJZ-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000647842500 385891085 /nfs/dbraw/zinc/89/10/85/385891085.db2.gz FEFFLJKACFMAJZ-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP Cn1cc(-c2cc(C[N@H+](C)CCC[NH3+])on2)cn1 ZINC000647847130 385896629 /nfs/dbraw/zinc/89/66/29/385896629.db2.gz AHQBEUJQHWTUFQ-UHFFFAOYSA-N 2 1 249.318 0.856 20 0 BCADMP Cn1cc(-c2cc(C[N@@H+](C)CCC[NH3+])on2)cn1 ZINC000647847130 385896633 /nfs/dbraw/zinc/89/66/33/385896633.db2.gz AHQBEUJQHWTUFQ-UHFFFAOYSA-N 2 1 249.318 0.856 20 0 BCADMP CC1(C)CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647852855 385904271 /nfs/dbraw/zinc/90/42/71/385904271.db2.gz IWNOQTPAFRFCSG-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP CC1(C)C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000647852855 385904272 /nfs/dbraw/zinc/90/42/72/385904272.db2.gz IWNOQTPAFRFCSG-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000336721355 385908175 /nfs/dbraw/zinc/90/81/75/385908175.db2.gz SOLDCGTVXPAENW-IONNQARKSA-N 2 1 247.289 0.322 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335032299 385921117 /nfs/dbraw/zinc/92/11/17/385921117.db2.gz NQDWFLFNIQKKCO-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414004920 385922125 /nfs/dbraw/zinc/92/21/25/385922125.db2.gz KTMNMIZCBJMQDJ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP Cc1csc(=O)n1CC[NH2+]CC1([NH3+])CCC1 ZINC000342116393 385930304 /nfs/dbraw/zinc/93/03/04/385930304.db2.gz FSVIPMLSEOQUHZ-UHFFFAOYSA-N 2 1 241.360 0.689 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647825024 385866410 /nfs/dbraw/zinc/86/64/10/385866410.db2.gz UMQQHOMMRXHSFU-GMTAPVOTSA-N 2 1 227.352 0.426 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814851 385868611 /nfs/dbraw/zinc/86/86/11/385868611.db2.gz INWGHJVJLAMLOP-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP [NH3+][C@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647814520 385869449 /nfs/dbraw/zinc/86/94/49/385869449.db2.gz RQEROTMHOZJIIS-RWMBFGLXSA-N 2 1 239.363 0.273 20 0 BCADMP [NH3+][C@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647814520 385869450 /nfs/dbraw/zinc/86/94/50/385869450.db2.gz RQEROTMHOZJIIS-RWMBFGLXSA-N 2 1 239.363 0.273 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647820870 385871026 /nfs/dbraw/zinc/87/10/26/385871026.db2.gz HKBAZIYIEXSENU-ZDUSSCGKSA-N 2 1 249.358 0.817 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830611 385872431 /nfs/dbraw/zinc/87/24/31/385872431.db2.gz WELKWSHLKWBMGP-UPJWGTAASA-N 2 1 239.363 0.130 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647829611 385877537 /nfs/dbraw/zinc/87/75/37/385877537.db2.gz DFMHRMAFZKGDDZ-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873532 385878313 /nfs/dbraw/zinc/87/83/13/385878313.db2.gz XWTDSQHGLPQKRB-JTQLQIEISA-N 2 1 228.336 0.917 20 0 BCADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000260498335 385879997 /nfs/dbraw/zinc/87/99/97/385879997.db2.gz LIFMYLCJBXUVHF-UHFFFAOYSA-N 2 1 248.330 0.691 20 0 BCADMP Cc1ccc(F)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336748342 385985858 /nfs/dbraw/zinc/98/58/58/385985858.db2.gz SQXNHPYOVIIWGA-LBPRGKRZSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336748342 385985860 /nfs/dbraw/zinc/98/58/60/385985860.db2.gz SQXNHPYOVIIWGA-LBPRGKRZSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1ccc(F)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336748341 385986008 /nfs/dbraw/zinc/98/60/08/385986008.db2.gz SQXNHPYOVIIWGA-GFCCVEGCSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1ccc(F)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336748341 385986010 /nfs/dbraw/zinc/98/60/10/385986010.db2.gz SQXNHPYOVIIWGA-GFCCVEGCSA-N 2 1 226.295 0.886 20 0 BCADMP C[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000289989925 385989786 /nfs/dbraw/zinc/98/97/86/385989786.db2.gz XKYHCKSXKNIZAD-UHFFFAOYSA-N 2 1 208.309 0.636 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NCC1=CC[N@@H+](C)CC1 ZINC000335041464 385933211 /nfs/dbraw/zinc/93/32/11/385933211.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@H]1CCNC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041464 385933220 /nfs/dbraw/zinc/93/32/20/385933220.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@H]1CCNC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041464 385933231 /nfs/dbraw/zinc/93/32/31/385933231.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cn[nH]c1 ZINC000309009026 385933415 /nfs/dbraw/zinc/93/34/15/385933415.db2.gz OHJNQYHJDQDRHQ-MWLCHTKSSA-N 2 1 208.309 0.621 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000338272778 385938257 /nfs/dbraw/zinc/93/82/57/385938257.db2.gz UNRHWIFEWOVOOU-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417448954 385951353 /nfs/dbraw/zinc/95/13/53/385951353.db2.gz WZUUAIQXGZDSAV-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448957 385951969 /nfs/dbraw/zinc/95/19/69/385951969.db2.gz WZYHVKKUEIGUKF-JTQLQIEISA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448959 385952550 /nfs/dbraw/zinc/95/25/50/385952550.db2.gz WZYHVKKUEIGUKF-SNVBAGLBSA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417447851 385960957 /nfs/dbraw/zinc/96/09/57/385960957.db2.gz RWEQPWJYLHYOSA-WDEREUQCSA-N 2 1 242.367 0.378 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251247861 385961394 /nfs/dbraw/zinc/96/13/94/385961394.db2.gz BKXQUSIPXXHKRM-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C[C@H]1C ZINC000414125379 385974498 /nfs/dbraw/zinc/97/44/98/385974498.db2.gz QCYLBZDKAINJKN-RCWTZXSCSA-N 2 1 200.326 0.543 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH3+])CC[N@H+]1C ZINC000647865707 385997302 /nfs/dbraw/zinc/99/73/02/385997302.db2.gz QWDIJOOFKVCKKL-GHMZBOCLSA-N 2 1 241.379 0.770 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417456670 386002188 /nfs/dbraw/zinc/00/21/88/386002188.db2.gz GXTNLLCHBUUSSP-NSHDSACASA-N 2 1 244.383 0.705 20 0 BCADMP CC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000338462596 386010998 /nfs/dbraw/zinc/01/09/98/386010998.db2.gz LXUXDWWEKXXGJO-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000338462596 386011005 /nfs/dbraw/zinc/01/10/05/386011005.db2.gz LXUXDWWEKXXGJO-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976147 386013919 /nfs/dbraw/zinc/01/39/19/386013919.db2.gz NNTBGQNILUGIFR-NSHDSACASA-N 2 1 229.368 0.152 20 0 BCADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336752440 386017191 /nfs/dbraw/zinc/01/71/91/386017191.db2.gz GWINDRADFMBPPB-IJLUTSLNSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336752440 386017199 /nfs/dbraw/zinc/01/71/99/386017199.db2.gz GWINDRADFMBPPB-IJLUTSLNSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417461429 386019038 /nfs/dbraw/zinc/01/90/38/386019038.db2.gz LPXPKQDSUNPZBN-UHFFFAOYSA-N 2 1 244.383 0.753 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCC[NH2+]C)C(C)C ZINC000417461372 386019352 /nfs/dbraw/zinc/01/93/52/386019352.db2.gz LGHLLMQGRTVBBG-UHFFFAOYSA-N 2 1 244.383 0.625 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC(C)(C)CCC[NH3+] ZINC000638250380 386053695 /nfs/dbraw/zinc/05/36/95/386053695.db2.gz HEUFZNIDNDOXDC-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865689 385996487 /nfs/dbraw/zinc/99/64/87/385996487.db2.gz QDDJOCIDBKSEFY-WCQYABFASA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865689 385996490 /nfs/dbraw/zinc/99/64/90/385996490.db2.gz QDDJOCIDBKSEFY-WCQYABFASA-N 3 1 241.379 0.424 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000647754520 386102783 /nfs/dbraw/zinc/10/27/83/386102783.db2.gz KLECTWCWPOUHDW-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729341 386105906 /nfs/dbraw/zinc/10/59/06/386105906.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729341 386105912 /nfs/dbraw/zinc/10/59/12/386105912.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729341 386105916 /nfs/dbraw/zinc/10/59/16/386105916.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCOC1 ZINC000336729341 386105918 /nfs/dbraw/zinc/10/59/18/386105918.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCOC1 ZINC000336729341 386105924 /nfs/dbraw/zinc/10/59/24/386105924.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000054133506 386109856 /nfs/dbraw/zinc/10/98/56/386109856.db2.gz XZZNENGXDKXBNS-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414663559 386112034 /nfs/dbraw/zinc/11/20/34/386112034.db2.gz BIIJGZHGCVPHLE-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000414981120 386061323 /nfs/dbraw/zinc/06/13/23/386061323.db2.gz XCQONELGTBLGKE-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000222734154 386065548 /nfs/dbraw/zinc/06/55/48/386065548.db2.gz IOZAKVVUHSCGGL-XWLWVQCSSA-N 2 1 200.326 0.686 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000334440381 386068742 /nfs/dbraw/zinc/06/87/42/386068742.db2.gz WRONTSSIYITCPX-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055131827 386158757 /nfs/dbraw/zinc/15/87/57/386158757.db2.gz XQFSPHINTJASGN-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCOC[C@H](C)NCC[NH2+]CCOC ZINC000414893390 386162218 /nfs/dbraw/zinc/16/22/18/386162218.db2.gz YFTJQRUAGHGDSZ-JTQLQIEISA-N 2 1 204.314 0.237 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000346139734 386165203 /nfs/dbraw/zinc/16/52/03/386165203.db2.gz OMTCGVZTZUKKIL-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141774 386166292 /nfs/dbraw/zinc/16/62/92/386166292.db2.gz RJYATBBAACWZIA-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681951 386167921 /nfs/dbraw/zinc/16/79/21/386167921.db2.gz QELOQRSUYHVZFS-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414686443 386174539 /nfs/dbraw/zinc/17/45/39/386174539.db2.gz ASKIFPKYIXTLNG-GHMZBOCLSA-N 2 1 228.336 0.869 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414693522 386190959 /nfs/dbraw/zinc/19/09/59/386190959.db2.gz BZGCOAYYAFIDHY-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879496 386180965 /nfs/dbraw/zinc/18/09/65/386180965.db2.gz BGYNTVGAOPYYPK-CMPLNLGQSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879496 386180967 /nfs/dbraw/zinc/18/09/67/386180967.db2.gz BGYNTVGAOPYYPK-CMPLNLGQSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690777 386185788 /nfs/dbraw/zinc/18/57/88/386185788.db2.gz NSUQSTWIHRODOZ-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000335341544 386189340 /nfs/dbraw/zinc/18/93/40/386189340.db2.gz LJQJHARCHUBGEX-SNVBAGLBSA-N 2 1 229.299 0.028 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000417487098 386141258 /nfs/dbraw/zinc/14/12/58/386141258.db2.gz NKLVVSHYUOOFDU-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP Cn1cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000382368017 386141496 /nfs/dbraw/zinc/14/14/96/386141496.db2.gz XUGPSUYGOSFHCY-GHMZBOCLSA-N 2 1 205.305 0.676 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647874920 386143021 /nfs/dbraw/zinc/14/30/21/386143021.db2.gz JWPNCHOHCBGKOX-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CN(CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000346980575 386203091 /nfs/dbraw/zinc/20/30/91/386203091.db2.gz LZZJIFJLCJDXJO-VXGBXAGGSA-N 2 1 241.379 0.376 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414702229 386207602 /nfs/dbraw/zinc/20/76/02/386207602.db2.gz UVUORUODCMBLLM-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414702229 386207612 /nfs/dbraw/zinc/20/76/12/386207612.db2.gz UVUORUODCMBLLM-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H](C(=O)NCC[NH+]1CCC1)[NH+](C)C ZINC000339010847 386208752 /nfs/dbraw/zinc/20/87/52/386208752.db2.gz MGYPIWMCTNFXTO-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704801 386215140 /nfs/dbraw/zinc/21/51/40/386215140.db2.gz JRBPLZIMFMMOGX-IJLUTSLNSA-N 2 1 241.379 0.688 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000414705776 386216306 /nfs/dbraw/zinc/21/63/06/386216306.db2.gz XKGXQOIGJDFYGZ-YUMQZZPRSA-N 2 1 226.242 0.723 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000414705776 386216307 /nfs/dbraw/zinc/21/63/07/386216307.db2.gz XKGXQOIGJDFYGZ-YUMQZZPRSA-N 2 1 226.242 0.723 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000414705770 386216622 /nfs/dbraw/zinc/21/66/22/386216622.db2.gz XKGXQOIGJDFYGZ-HTQZYQBOSA-N 2 1 226.242 0.723 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000414705770 386216626 /nfs/dbraw/zinc/21/66/26/386216626.db2.gz XKGXQOIGJDFYGZ-HTQZYQBOSA-N 2 1 226.242 0.723 20 0 BCADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712676 386230981 /nfs/dbraw/zinc/23/09/81/386230981.db2.gz TUSGINIARYDDGE-MNOVXSKESA-N 2 1 229.368 0.674 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712676 386230985 /nfs/dbraw/zinc/23/09/85/386230985.db2.gz TUSGINIARYDDGE-MNOVXSKESA-N 2 1 229.368 0.674 20 0 BCADMP C[C@H]1SCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000132419802 386235133 /nfs/dbraw/zinc/23/51/33/386235133.db2.gz VRNGDZONYRYKGI-VXGBXAGGSA-N 2 1 243.420 0.717 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882664 386237507 /nfs/dbraw/zinc/23/75/07/386237507.db2.gz LBBIYJQVMSVUBU-WDEREUQCSA-N 2 1 225.336 0.326 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC(C)(C)CC[NH3+])CC[N@H+]1C ZINC000638355167 386245795 /nfs/dbraw/zinc/24/57/95/386245795.db2.gz GUFFIDOPTYAHRE-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873644 386257737 /nfs/dbraw/zinc/25/77/37/386257737.db2.gz HFNDKUBMEPMVOU-TUAOUCFPSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000211696448 386280832 /nfs/dbraw/zinc/28/08/32/386280832.db2.gz KCGIYIVTOJXTEM-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@]1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900868 386289692 /nfs/dbraw/zinc/28/96/92/386289692.db2.gz FIUYZBLTJDBIIX-CHWSQXEVSA-N 3 1 225.380 0.965 20 0 BCADMP Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988412 386304171 /nfs/dbraw/zinc/30/41/71/386304171.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 1 249.362 0.902 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000415006125 386318863 /nfs/dbraw/zinc/31/88/63/386318863.db2.gz PVOZPGIKFXOWLW-UTUOFQBUSA-N 3 1 211.353 0.846 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305098 386266038 /nfs/dbraw/zinc/26/60/38/386266038.db2.gz WFIJCBLECBRJSI-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000236887698 386324061 /nfs/dbraw/zinc/32/40/61/386324061.db2.gz BXLNMTYMOHNKGA-LBPRGKRZSA-N 2 1 235.331 0.754 20 0 BCADMP COC[C@@H]1CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339290052 386342726 /nfs/dbraw/zinc/34/27/26/386342726.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 2 1 228.336 0.162 20 0 BCADMP C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970046 386344050 /nfs/dbraw/zinc/34/40/50/386344050.db2.gz ZFKXSIJTYOOYBC-JSGCOSHPSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1CC(N)=O)CC[NH2+]CC2 ZINC000335277508 386344207 /nfs/dbraw/zinc/34/42/07/386344207.db2.gz IUIMNGXMOUIFJG-SECBINFHSA-N 2 1 211.309 0.986 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000265599045 386349339 /nfs/dbraw/zinc/34/93/39/386349339.db2.gz BZISLKLBPTZCTI-SGUJLRQBSA-N 2 1 225.336 0.172 20 0 BCADMP C[C@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414905258 386358542 /nfs/dbraw/zinc/35/85/42/386358542.db2.gz NUGOSWHTALOCLQ-SRVKXCTJSA-N 3 1 211.353 0.716 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336691245 386361227 /nfs/dbraw/zinc/36/12/27/386361227.db2.gz FICCZYXKJQDVPJ-GFCCVEGCSA-N 2 1 236.363 0.846 20 0 BCADMP C[N@H+](C[C@@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000647989706 386362436 /nfs/dbraw/zinc/36/24/36/386362436.db2.gz ZIHFAFZCSRWTDT-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000647989706 386362441 /nfs/dbraw/zinc/36/24/41/386362441.db2.gz ZIHFAFZCSRWTDT-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414748842 386363309 /nfs/dbraw/zinc/36/33/09/386363309.db2.gz XIWKLLIMKZNRCC-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CC[NH2+]C(C)(C)C)C[C@H]2C1 ZINC000414749246 386364779 /nfs/dbraw/zinc/36/47/79/386364779.db2.gz XXOZMKLJRPYNLL-TXEJJXNPSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237400933 386376056 /nfs/dbraw/zinc/37/60/56/386376056.db2.gz SVSRWUUKHTVIFT-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000417550811 386376290 /nfs/dbraw/zinc/37/62/90/386376290.db2.gz MJOLDJPKBULCTI-NXEZZACHSA-N 2 1 240.351 0.212 20 0 BCADMP CO[C@@H]1C[NH+](CCn2cc[nH+]c2C)C[C@H]1OC ZINC000336697439 386380294 /nfs/dbraw/zinc/38/02/94/386380294.db2.gz SSIYAQIBBUSWQJ-VXGBXAGGSA-N 2 1 239.319 0.537 20 0 BCADMP CC(C)[N@@H+](C[C@@H](C)O)C[C@H](O)C[NH+](C)C1CC1 ZINC000336684157 386331245 /nfs/dbraw/zinc/33/12/45/386331245.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336684157 386331249 /nfs/dbraw/zinc/33/12/49/386331249.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336684157 386331251 /nfs/dbraw/zinc/33/12/51/386331251.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000647989049 386334029 /nfs/dbraw/zinc/33/40/29/386334029.db2.gz BOLBIWGLRPDUGO-WOPDTQHZSA-N 2 1 211.353 0.620 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC000230045545 386335782 /nfs/dbraw/zinc/33/57/82/386335782.db2.gz HPLZQRKEVJVMPY-RWMBFGLXSA-N 2 1 234.347 0.942 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCCO)CC1 ZINC000414743607 386336709 /nfs/dbraw/zinc/33/67/09/386336709.db2.gz HKDQQWOPRHWOAA-GFCCVEGCSA-N 2 1 244.379 0.833 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417605716 386440915 /nfs/dbraw/zinc/44/09/15/386440915.db2.gz BZYCUHRYRXEFPR-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCNC1=O ZINC000414767273 386440988 /nfs/dbraw/zinc/44/09/88/386440988.db2.gz SIAHNQMEDGSPOE-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417614361 386450528 /nfs/dbraw/zinc/45/05/28/386450528.db2.gz VIBSBSMWULNJJM-UHFFFAOYSA-N 2 1 230.356 0.237 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000414755364 386395005 /nfs/dbraw/zinc/39/50/05/386395005.db2.gz HKMTWVRHUNSPQD-DCAQKATOSA-N 2 1 200.326 0.815 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000414755364 386395008 /nfs/dbraw/zinc/39/50/08/386395008.db2.gz HKMTWVRHUNSPQD-DCAQKATOSA-N 2 1 200.326 0.815 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[NH2+]Cc2ccccc21 ZINC000647759976 386397817 /nfs/dbraw/zinc/39/78/17/386397817.db2.gz OTABJGHDGDFEHL-GFCCVEGCSA-N 2 1 245.326 0.875 20 0 BCADMP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)nn1 ZINC000336701662 386403190 /nfs/dbraw/zinc/40/31/90/386403190.db2.gz STMHYRLSECYKEY-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000347455624 386412517 /nfs/dbraw/zinc/41/25/17/386412517.db2.gz NPHGDUACBWIHQW-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@H](CNC(=O)NCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000417009695 386435753 /nfs/dbraw/zinc/43/57/53/386435753.db2.gz KOGPGJWXZHBBBY-GHMZBOCLSA-N 2 1 242.367 0.365 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287572 386475400 /nfs/dbraw/zinc/47/54/00/386475400.db2.gz PAQODDKOGYATHE-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417287954 386475433 /nfs/dbraw/zinc/47/54/33/386475433.db2.gz PYSDBVJMUHMESN-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCOC2)CC1(C)C ZINC000441375548 386487280 /nfs/dbraw/zinc/48/72/80/386487280.db2.gz BPSFTQDSEXTHFL-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000062010210 386489543 /nfs/dbraw/zinc/48/95/43/386489543.db2.gz BRRCHAHFFOUQPM-GFCCVEGCSA-N 2 1 227.352 0.714 20 0 BCADMP CN(Cc1nc(C(C)(C)N)no1)[C@H]1CCOC1 ZINC000135265159 386499361 /nfs/dbraw/zinc/49/93/61/386499361.db2.gz UCVGDIHJOXDKDD-QMMMGPOBSA-N 2 1 240.307 0.484 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335447283 386515016 /nfs/dbraw/zinc/51/50/16/386515016.db2.gz CONCBOGJIASZGH-NEPJUHHUSA-N 3 1 209.337 0.280 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335447283 386515022 /nfs/dbraw/zinc/51/50/22/386515022.db2.gz CONCBOGJIASZGH-NEPJUHHUSA-N 2 1 209.337 0.280 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000335449221 386516294 /nfs/dbraw/zinc/51/62/94/386516294.db2.gz YWTOGMMJNGUQHH-LBPRGKRZSA-N 3 1 209.337 0.411 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000335449221 386516298 /nfs/dbraw/zinc/51/62/98/386516298.db2.gz YWTOGMMJNGUQHH-LBPRGKRZSA-N 3 1 209.337 0.411 20 0 BCADMP CC(C)(C[NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000123094256 386530186 /nfs/dbraw/zinc/53/01/86/386530186.db2.gz OUKZTVFQAKVEBO-SNVBAGLBSA-N 2 1 239.363 0.572 20 0 BCADMP Cc1cn[nH]c1CN1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517308 /nfs/dbraw/zinc/51/73/08/386517308.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518073 /nfs/dbraw/zinc/51/80/73/386518073.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 1 208.309 0.887 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460114 386453229 /nfs/dbraw/zinc/45/32/29/386453229.db2.gz BKXQUSIPXXHKRM-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP [NH3+]CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417141605 386455008 /nfs/dbraw/zinc/45/50/08/386455008.db2.gz RMTDBRICGHLAMP-MNOVXSKESA-N 2 1 240.351 0.261 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000417620075 386459081 /nfs/dbraw/zinc/45/90/81/386459081.db2.gz CKUVEZSPFKXUPI-LLVKDONJSA-N 2 1 240.351 0.117 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH3+] ZINC000417698041 386575236 /nfs/dbraw/zinc/57/52/36/386575236.db2.gz IQJOJBPHRCJDIO-LLVKDONJSA-N 2 1 242.367 0.509 20 0 BCADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[NH3+])n1 ZINC000414921530 386576847 /nfs/dbraw/zinc/57/68/47/386576847.db2.gz BTSGSCSKPZQHJO-NXEZZACHSA-N 2 1 223.320 0.958 20 0 BCADMP C[N@@H+]1CC[C@H](CSc2nc(N)cc(N)[nH+]2)C1 ZINC000187665049 386579350 /nfs/dbraw/zinc/57/93/50/386579350.db2.gz UVCAXOIAAVWBLS-ZETCQYMHSA-N 2 1 239.348 0.685 20 0 BCADMP C[N@H+]1CC[C@H](CSc2nc(N)cc(N)[nH+]2)C1 ZINC000187665049 386579355 /nfs/dbraw/zinc/57/93/55/386579355.db2.gz UVCAXOIAAVWBLS-ZETCQYMHSA-N 2 1 239.348 0.685 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905021 386583421 /nfs/dbraw/zinc/58/34/21/386583421.db2.gz LLTMALKATFMWDJ-GRYCIOLGSA-N 2 1 211.353 0.655 20 0 BCADMP CC(C)[C@H](N)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414801442 386584131 /nfs/dbraw/zinc/58/41/31/386584131.db2.gz UDIWYMBQIPHROX-GRYCIOLGSA-N 2 1 213.369 0.947 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300354459 386591347 /nfs/dbraw/zinc/59/13/47/386591347.db2.gz AGVOFGJOZDXFDY-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300354459 386591351 /nfs/dbraw/zinc/59/13/51/386591351.db2.gz AGVOFGJOZDXFDY-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902556 386531155 /nfs/dbraw/zinc/53/11/55/386531155.db2.gz LXBXADPUNNTOBY-ZWNOBZJWSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000519699403 386536211 /nfs/dbraw/zinc/53/62/11/386536211.db2.gz FKPHXZUGPINQTA-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000519699403 386536216 /nfs/dbraw/zinc/53/62/16/386536216.db2.gz FKPHXZUGPINQTA-VHSXEESVSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000519699397 386536835 /nfs/dbraw/zinc/53/68/35/386536835.db2.gz FKPHXZUGPINQTA-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000519699397 386536842 /nfs/dbraw/zinc/53/68/42/386536842.db2.gz FKPHXZUGPINQTA-NXEZZACHSA-N 2 1 243.376 0.107 20 0 BCADMP c1cnc(N[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995347 386537034 /nfs/dbraw/zinc/53/70/34/386537034.db2.gz QNBLHRWVDPQJLK-VXGBXAGGSA-N 2 1 247.346 0.572 20 0 BCADMP c1cnc(N[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995347 386537039 /nfs/dbraw/zinc/53/70/39/386537039.db2.gz QNBLHRWVDPQJLK-VXGBXAGGSA-N 2 1 247.346 0.572 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417681831 386538608 /nfs/dbraw/zinc/53/86/08/386538608.db2.gz KDYCPSHGSCQPFA-VHSXEESVSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417681829 386539296 /nfs/dbraw/zinc/53/92/96/386539296.db2.gz KDYCPSHGSCQPFA-NXEZZACHSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)C[C@H](N)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414794718 386560196 /nfs/dbraw/zinc/56/01/96/386560196.db2.gz MAGNEDJUYKECDJ-ZDUSSCGKSA-N 2 1 242.411 0.245 20 0 BCADMP COCC(C)(C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112972 386620895 /nfs/dbraw/zinc/62/08/95/386620895.db2.gz TYRQNPNKGJUYFV-NSHDSACASA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000415105314 386624970 /nfs/dbraw/zinc/62/49/70/386624970.db2.gz LVFOLRHCXCUQFN-MNOVXSKESA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000337142825 386626346 /nfs/dbraw/zinc/62/63/46/386626346.db2.gz UOZKZYBANNNZAB-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000337142825 386626352 /nfs/dbraw/zinc/62/63/52/386626352.db2.gz UOZKZYBANNNZAB-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415129374 386635643 /nfs/dbraw/zinc/63/56/43/386635643.db2.gz UNTBKIHPARXERB-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000647906741 386639831 /nfs/dbraw/zinc/63/98/31/386639831.db2.gz XZLQZXHQKYAXIL-GXSJLCMTSA-N 2 1 238.335 0.980 20 0 BCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000337195605 386644860 /nfs/dbraw/zinc/64/48/60/386644860.db2.gz WAVDAKLQGCRPRO-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000337195607 386646623 /nfs/dbraw/zinc/64/66/23/386646623.db2.gz WAVDAKLQGCRPRO-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000336758681 386647485 /nfs/dbraw/zinc/64/74/85/386647485.db2.gz IMLCRCITUJZBOE-GRYCIOLGSA-N 2 1 230.352 0.578 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335515060 386652414 /nfs/dbraw/zinc/65/24/14/386652414.db2.gz GGTIDRRGOWLBPU-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336644900 386600029 /nfs/dbraw/zinc/60/00/29/386600029.db2.gz AUXOINLHSQEBFO-MNOVXSKESA-N 2 1 202.342 0.920 20 0 BCADMP CCCCN(CCO)Cc1noc(C[NH3+])n1 ZINC000337085976 386605109 /nfs/dbraw/zinc/60/51/09/386605109.db2.gz ZTXNQGIWGVNQQJ-UHFFFAOYSA-N 2 1 228.296 0.123 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331445428 386605486 /nfs/dbraw/zinc/60/54/86/386605486.db2.gz IMXNWWYTPHVGJS-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343248538 386659604 /nfs/dbraw/zinc/65/96/04/386659604.db2.gz INYHCEMPTSUSBC-XQQFMLRXSA-N 2 1 242.363 0.770 20 0 BCADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414820101 386664709 /nfs/dbraw/zinc/66/47/09/386664709.db2.gz AGQRECWRYOKHSO-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@@H]1C[C@H](CNC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821510 386678281 /nfs/dbraw/zinc/67/82/81/386678281.db2.gz CIECSPCQWSYGRK-IJLUTSLNSA-N 2 1 211.353 0.716 20 0 BCADMP CC[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042308886 386679377 /nfs/dbraw/zinc/67/93/77/386679377.db2.gz TXZCQXYIKAVAQL-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335520124 386656857 /nfs/dbraw/zinc/65/68/57/386656857.db2.gz DWAQCQMTHQCHLX-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1=O ZINC000647951250 386657563 /nfs/dbraw/zinc/65/75/63/386657563.db2.gz MUDIWAYELGFUSI-LBPRGKRZSA-N 2 1 249.358 0.946 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357079451 386710912 /nfs/dbraw/zinc/71/09/12/386710912.db2.gz SOEABGVXJISFDC-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357079451 386710920 /nfs/dbraw/zinc/71/09/20/386710920.db2.gz SOEABGVXJISFDC-CYBMUJFWSA-N 3 1 243.395 0.625 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000335468100 386684170 /nfs/dbraw/zinc/68/41/70/386684170.db2.gz KDRMCCISQAFKMB-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000335468101 386684270 /nfs/dbraw/zinc/68/42/70/386684270.db2.gz KDRMCCISQAFKMB-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])CCN1C ZINC000357077621 386711705 /nfs/dbraw/zinc/71/17/05/386711705.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077621 386711712 /nfs/dbraw/zinc/71/17/12/386711712.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077621 386711715 /nfs/dbraw/zinc/71/17/15/386711715.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077621 386711719 /nfs/dbraw/zinc/71/17/19/386711719.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077621 386711724 /nfs/dbraw/zinc/71/17/24/386711724.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H](N(C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077621 386711729 /nfs/dbraw/zinc/71/17/29/386711729.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@H](N(C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077621 386711734 /nfs/dbraw/zinc/71/17/34/386711734.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP [NH3+]CCOCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000357032709 386697001 /nfs/dbraw/zinc/69/70/01/386697001.db2.gz SBRBZVZBDZOIFW-LLVKDONJSA-N 2 1 228.336 0.463 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)CCn1cncn1 ZINC000337281371 386699277 /nfs/dbraw/zinc/69/92/77/386699277.db2.gz WGDOJNXOADXXKG-UHFFFAOYSA-N 2 1 237.351 0.696 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)CCn1cncn1 ZINC000337281371 386699281 /nfs/dbraw/zinc/69/92/81/386699281.db2.gz WGDOJNXOADXXKG-UHFFFAOYSA-N 2 1 237.351 0.696 20 0 BCADMP O=C1[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000357069033 386708484 /nfs/dbraw/zinc/70/84/84/386708484.db2.gz FECLHDSTJNKQMH-NTZNESFSSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000357069033 386708487 /nfs/dbraw/zinc/70/84/87/386708487.db2.gz FECLHDSTJNKQMH-NTZNESFSSA-N 2 1 249.358 0.291 20 0 BCADMP Cn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nn1 ZINC000357059193 386708633 /nfs/dbraw/zinc/70/86/33/386708633.db2.gz WNGCPFFNIUJXSZ-LBPRGKRZSA-N 2 1 249.362 0.637 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000334141427 386740689 /nfs/dbraw/zinc/74/06/89/386740689.db2.gz GYXQZMFEENGDND-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000334141427 386740693 /nfs/dbraw/zinc/74/06/93/386740693.db2.gz GYXQZMFEENGDND-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)C[NH+](C)C ZINC000343485023 386738063 /nfs/dbraw/zinc/73/80/63/386738063.db2.gz PTRPBWZJBSMNOO-UHFFFAOYSA-N 2 1 213.325 0.102 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044752375 386727809 /nfs/dbraw/zinc/72/78/09/386727809.db2.gz JEJHJKADJAQLKB-SECBINFHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357253945 386749350 /nfs/dbraw/zinc/74/93/50/386749350.db2.gz XOUNVTPTMWGLGA-GXSJLCMTSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000336664327 386761828 /nfs/dbraw/zinc/76/18/28/386761828.db2.gz DVHZPVHCWZHVMS-VIFPVBQESA-N 2 1 201.314 0.051 20 0 BCADMP CN(C)c1cc(NC(=O)CC[NH3+])cc[nH+]1 ZINC000269267238 386770255 /nfs/dbraw/zinc/77/02/55/386770255.db2.gz QAHLZAKJKQYAJB-UHFFFAOYSA-N 2 1 208.265 0.435 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537484 386772702 /nfs/dbraw/zinc/77/27/02/386772702.db2.gz YIYDBGYHPBAKIH-RYUDHWBXSA-N 2 1 244.404 0.738 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)CC[N@H+]1C ZINC000340415945 386779588 /nfs/dbraw/zinc/77/95/88/386779588.db2.gz YWIUPJCGHNAPEE-NDBYEHHHSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417827183 386784901 /nfs/dbraw/zinc/78/49/01/386784901.db2.gz CWVDELCLMWFCEK-FXPVBKGRSA-N 2 1 243.376 0.092 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418000672 386818606 /nfs/dbraw/zinc/81/86/06/386818606.db2.gz JRPMIOZISLCSCU-OUAUKWLOSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993828 386810418 /nfs/dbraw/zinc/81/04/18/386810418.db2.gz BBMYQEVVBLNDOX-GMTAPVOTSA-N 2 1 240.351 0.212 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414847236 386830591 /nfs/dbraw/zinc/83/05/91/386830591.db2.gz VSSJNFVKTSKYIH-VIFPVBQESA-N 2 1 239.319 0.746 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000211764348 386830982 /nfs/dbraw/zinc/83/09/82/386830982.db2.gz DKMIAZCBSZVMSL-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000211764348 386830987 /nfs/dbraw/zinc/83/09/87/386830987.db2.gz DKMIAZCBSZVMSL-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP CCN(C)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357734074 386836948 /nfs/dbraw/zinc/83/69/48/386836948.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367285686 386852555 /nfs/dbraw/zinc/85/25/55/386852555.db2.gz FVQXFQDMHCZTEZ-FXQIFTODSA-N 2 1 235.278 0.035 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336675158 386854969 /nfs/dbraw/zinc/85/49/69/386854969.db2.gz VCTLBEMMRIHCDT-GHMZBOCLSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2c[nH]nc21 ZINC000414943057 386895718 /nfs/dbraw/zinc/89/57/18/386895718.db2.gz LFRKDTZDZSKDFN-QMMMGPOBSA-N 2 1 204.277 1.000 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000341383491 386897754 /nfs/dbraw/zinc/89/77/54/386897754.db2.gz VPAZBYDMPRWHQB-GFCCVEGCSA-N 2 1 234.347 0.882 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902753 /nfs/dbraw/zinc/90/27/53/386902753.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902754 /nfs/dbraw/zinc/90/27/54/386902754.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902759 /nfs/dbraw/zinc/90/27/59/386902759.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418012779 386907474 /nfs/dbraw/zinc/90/74/74/386907474.db2.gz YKNSVOBQXYXWLB-OPRDCNLKSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822825 386952577 /nfs/dbraw/zinc/95/25/77/386952577.db2.gz XGSITQYDKWAAFW-CMPLNLGQSA-N 3 1 211.353 0.716 20 0 BCADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000514598980 387007265 /nfs/dbraw/zinc/00/72/65/387007265.db2.gz HJKLRLKVZMTTBS-SNVBAGLBSA-N 2 1 237.347 0.468 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395198310 386981921 /nfs/dbraw/zinc/98/19/21/386981921.db2.gz UFKRWCVDNSLWKG-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368592158 386988380 /nfs/dbraw/zinc/98/83/80/386988380.db2.gz PMQFJOGHOPYBTP-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368592158 386988382 /nfs/dbraw/zinc/98/83/82/386988382.db2.gz PMQFJOGHOPYBTP-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000334916542 386992142 /nfs/dbraw/zinc/99/21/42/386992142.db2.gz BWJJWRVJSYNJHL-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000334921170 386997511 /nfs/dbraw/zinc/99/75/11/386997511.db2.gz DLGMIPHDFUFFDL-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000334921169 386997653 /nfs/dbraw/zinc/99/76/53/386997653.db2.gz DLGMIPHDFUFFDL-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP Cc1cnccc1NC(=O)N1CCN[C@@H](C)C1 ZINC000334821294 386950500 /nfs/dbraw/zinc/95/05/00/386950500.db2.gz MJGCAJZLWXAPHC-JTQLQIEISA-N 2 1 234.303 0.638 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000399005609 387036799 /nfs/dbraw/zinc/03/67/99/387036799.db2.gz XRPSDWDXRPTOKL-NSHDSACASA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398998474 387037300 /nfs/dbraw/zinc/03/73/00/387037300.db2.gz BKLDRYRWUGVMHR-JQWIXIFHSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+](C)CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000648107333 387045263 /nfs/dbraw/zinc/04/52/63/387045263.db2.gz BLPQCMQLBYVGID-JTQLQIEISA-N 2 1 248.330 0.398 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648107859 387049730 /nfs/dbraw/zinc/04/97/30/387049730.db2.gz WKXBFRBHBWXVRI-WHOHXGKFSA-N 2 1 239.363 0.522 20 0 BCADMP COCC[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313388937 387051171 /nfs/dbraw/zinc/05/11/71/387051171.db2.gz LWLHCIULHGENBD-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368806466 387012214 /nfs/dbraw/zinc/01/22/14/387012214.db2.gz NZPVEXIRFFKWPM-JQWIXIFHSA-N 2 1 225.336 0.054 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648103894 387021759 /nfs/dbraw/zinc/02/17/59/387021759.db2.gz DYRPMRSNVWGSCU-IVZWLZJFSA-N 2 1 213.325 0.038 20 0 BCADMP CC(C)[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298652 387022428 /nfs/dbraw/zinc/02/24/28/387022428.db2.gz RQEXRGACHBXIFG-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070316058 387066192 /nfs/dbraw/zinc/06/61/92/387066192.db2.gz YFWHQBORIHQALT-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648105831 387027506 /nfs/dbraw/zinc/02/75/06/387027506.db2.gz KCODWWYNBSLHNJ-SECBINFHSA-N 2 1 247.289 0.005 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333337840 387028206 /nfs/dbraw/zinc/02/82/06/387028206.db2.gz XKPBWOKEEGXTJU-JLLWLGSASA-N 2 1 234.347 0.997 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2ncnn2C1)[C@@H]1CCCC[NH2+]1 ZINC000333346469 387029834 /nfs/dbraw/zinc/02/98/34/387029834.db2.gz ZIGXACVIHGGJSJ-SRVKXCTJSA-N 2 1 249.362 0.713 20 0 BCADMP c1cnn(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334993417 387083817 /nfs/dbraw/zinc/08/38/17/387083817.db2.gz QJMASEYMTVLNQT-CYBMUJFWSA-N 2 1 234.347 0.959 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695732 387084977 /nfs/dbraw/zinc/08/49/77/387084977.db2.gz DFTSYTVSUOEJQY-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695732 387084978 /nfs/dbraw/zinc/08/49/78/387084978.db2.gz DFTSYTVSUOEJQY-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427480 387090749 /nfs/dbraw/zinc/09/07/49/387090749.db2.gz JCUVMXKRIYZZJO-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543454 387103290 /nfs/dbraw/zinc/10/32/90/387103290.db2.gz GKGTVZTYFKPGBH-QJPTWQEYSA-N 2 1 240.347 0.999 20 0 BCADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423305680 387142008 /nfs/dbraw/zinc/14/20/08/387142008.db2.gz CCOPLZGMONJLBC-NEPJUHHUSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308048 387142652 /nfs/dbraw/zinc/14/26/52/387142652.db2.gz XENIDKKPRFSLPM-GMXVVIOVSA-N 2 1 223.364 0.811 20 0 BCADMP [NH3+]CC1(CC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000423314833 387153786 /nfs/dbraw/zinc/15/37/86/387153786.db2.gz HVWXTKAZYWHGJZ-UHFFFAOYSA-N 2 1 237.347 0.422 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423314145 387154862 /nfs/dbraw/zinc/15/48/62/387154862.db2.gz GRSAELUKEUIUJG-JHJVBQTASA-N 2 1 243.395 0.541 20 0 BCADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH3+])CO2 ZINC000423324288 387167651 /nfs/dbraw/zinc/16/76/51/387167651.db2.gz KMACUMBESZFMGM-KOLCDFICSA-N 2 1 236.315 0.936 20 0 BCADMP C[C@@]1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361256 387193504 /nfs/dbraw/zinc/19/35/04/387193504.db2.gz IACGHLWPEFFECB-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361256 387193509 /nfs/dbraw/zinc/19/35/09/387193509.db2.gz IACGHLWPEFFECB-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261763 387184185 /nfs/dbraw/zinc/18/41/85/387184185.db2.gz CRMCSGUUJVWIQA-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622483 387186257 /nfs/dbraw/zinc/18/62/57/387186257.db2.gz KJZWSUIFIAPKKQ-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCO ZINC000371300065 387188543 /nfs/dbraw/zinc/18/85/43/387188543.db2.gz MOHHNBGQQNZEAW-WOPDTQHZSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000571909136 387189970 /nfs/dbraw/zinc/18/99/70/387189970.db2.gz ZXZACLWZQSHTSE-JQWIXIFHSA-N 2 1 248.330 0.149 20 0 BCADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000571908122 387190188 /nfs/dbraw/zinc/19/01/88/387190188.db2.gz FHKKTKZKPYHQGC-WOPDTQHZSA-N 2 1 209.337 0.421 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000571879958 387191501 /nfs/dbraw/zinc/19/15/01/387191501.db2.gz DUJSTDNMMIMELF-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248488856 387138916 /nfs/dbraw/zinc/13/89/16/387138916.db2.gz MPNKOCCDGXTYSA-RHYQMDGZSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H](C[NH3+])CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423305004 387139142 /nfs/dbraw/zinc/13/91/42/387139142.db2.gz ZXECVMNEDAPHCW-MXWKQRLJSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423305004 387139146 /nfs/dbraw/zinc/13/91/46/387139146.db2.gz ZXECVMNEDAPHCW-MXWKQRLJSA-N 2 1 211.353 0.796 20 0 BCADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423305682 387141185 /nfs/dbraw/zinc/14/11/85/387141185.db2.gz CCOPLZGMONJLBC-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300409846 387205674 /nfs/dbraw/zinc/20/56/74/387205674.db2.gz BZBKUXGHTDSPSR-MROQNXINSA-N 2 1 244.379 0.702 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336374082 387205803 /nfs/dbraw/zinc/20/58/03/387205803.db2.gz ZEUUCFWOENTPEN-QWHCGFSZSA-N 3 1 223.364 0.527 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336374082 387205806 /nfs/dbraw/zinc/20/58/06/387205806.db2.gz ZEUUCFWOENTPEN-QWHCGFSZSA-N 2 1 223.364 0.527 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300414285 387208290 /nfs/dbraw/zinc/20/82/90/387208290.db2.gz KUQNFOHZSMLBTJ-WUHRBBMRSA-N 2 1 244.379 0.702 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000353476122 387209436 /nfs/dbraw/zinc/20/94/36/387209436.db2.gz YLFZATRSEHQYNK-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361226 387212391 /nfs/dbraw/zinc/21/23/91/387212391.db2.gz RIFYWLYSTIMCIR-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000336381384 387212414 /nfs/dbraw/zinc/21/24/14/387212414.db2.gz ZQDOOYLIQRHXHH-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000336381384 387212416 /nfs/dbraw/zinc/21/24/16/387212416.db2.gz ZQDOOYLIQRHXHH-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000336381384 387212420 /nfs/dbraw/zinc/21/24/20/387212420.db2.gz ZQDOOYLIQRHXHH-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418192966 387215586 /nfs/dbraw/zinc/21/55/86/387215586.db2.gz BCKMOIDLTUGQHD-AXFHLTTASA-N 2 1 244.383 0.750 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000418195943 387216606 /nfs/dbraw/zinc/21/66/06/387216606.db2.gz CJEFHPKSWSOIHH-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418195944 387216753 /nfs/dbraw/zinc/21/67/53/387216753.db2.gz CJEFHPKSWSOIHH-NSHDSACASA-N 2 1 244.383 0.707 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572020544 387220037 /nfs/dbraw/zinc/22/00/37/387220037.db2.gz IPRRWTBGJYORJO-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572020769 387221562 /nfs/dbraw/zinc/22/15/62/387221562.db2.gz IPRRWTBGJYORJO-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423408292 387242553 /nfs/dbraw/zinc/24/25/53/387242553.db2.gz XFBIRXWCIYHHTQ-LOWVWBTDSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406848 387243481 /nfs/dbraw/zinc/24/34/81/387243481.db2.gz VEBNLCBNETVXPI-YVECIDJPSA-N 2 1 225.380 0.914 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406848 387243486 /nfs/dbraw/zinc/24/34/86/387243486.db2.gz VEBNLCBNETVXPI-YVECIDJPSA-N 2 1 225.380 0.914 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423408763 387245255 /nfs/dbraw/zinc/24/52/55/387245255.db2.gz XXXLFWIZUKVGIU-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP COC[C@@]1(C[NH2+][C@H](C)CCCC[NH3+])CCCN1 ZINC000423412581 387246146 /nfs/dbraw/zinc/24/61/46/387246146.db2.gz IAZBOLVDMFEBHB-OLZOCXBDSA-N 2 1 243.395 0.862 20 0 BCADMP COC[C@@]1(CN[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412581 387246150 /nfs/dbraw/zinc/24/61/50/387246150.db2.gz IAZBOLVDMFEBHB-OLZOCXBDSA-N 2 1 243.395 0.862 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1C1CC1 ZINC000423425031 387251847 /nfs/dbraw/zinc/25/18/47/387251847.db2.gz GIMQLTKHBLGZIO-RPLXWKFWSA-N 2 1 221.348 0.419 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423374256 387196537 /nfs/dbraw/zinc/19/65/37/387196537.db2.gz JQXUMFAMCDVNGZ-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000423347161 387197337 /nfs/dbraw/zinc/19/73/37/387197337.db2.gz QFIBEFHFYGRGMI-BDAKNGLRSA-N 2 1 221.295 0.510 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000423347161 387197342 /nfs/dbraw/zinc/19/73/42/387197342.db2.gz QFIBEFHFYGRGMI-BDAKNGLRSA-N 2 1 221.295 0.510 20 0 BCADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423381404 387263289 /nfs/dbraw/zinc/26/32/89/387263289.db2.gz ZQDQRAUDVJJEML-UWVGGRQHSA-N 2 1 246.318 0.660 20 0 BCADMP CO[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360336181 387266104 /nfs/dbraw/zinc/26/61/04/387266104.db2.gz JALSCVWCABJWKP-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684961 387270224 /nfs/dbraw/zinc/27/02/24/387270224.db2.gz PARJQVVLACRSEW-DMDPSCGWSA-N 2 1 237.347 0.196 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000645684863 387270389 /nfs/dbraw/zinc/27/03/89/387270389.db2.gz JSOMRTBYEPSAAP-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387836 387271355 /nfs/dbraw/zinc/27/13/55/387271355.db2.gz KEWAWQUWCVOZFK-IRCOFANPSA-N 2 1 213.369 0.913 20 0 BCADMP O=C1NCC[C@@H]1[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000372105927 387274032 /nfs/dbraw/zinc/27/40/32/387274032.db2.gz SOOHBGSOADGGQE-RVMXOQNASA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000372105927 387274037 /nfs/dbraw/zinc/27/40/37/387274037.db2.gz SOOHBGSOADGGQE-RVMXOQNASA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000372105927 387274040 /nfs/dbraw/zinc/27/40/40/387274040.db2.gz SOOHBGSOADGGQE-RVMXOQNASA-N 2 1 249.358 0.291 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423438097 387288785 /nfs/dbraw/zinc/28/87/85/387288785.db2.gz GTKOIQLCEFAWHK-RCWTZXSCSA-N 2 1 211.353 0.937 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000514938588 387318188 /nfs/dbraw/zinc/31/81/88/387318188.db2.gz MRYRYAMYBPAGOU-MWLCHTKSSA-N 2 1 238.335 0.980 20 0 BCADMP CN(C)c1cc(NC(=O)C2(C)C[NH2+]C2)cc[nH+]1 ZINC000423442111 387292926 /nfs/dbraw/zinc/29/29/26/387292926.db2.gz UXELRSNZFITBMR-UHFFFAOYSA-N 2 1 234.303 0.696 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000121098395 387293559 /nfs/dbraw/zinc/29/35/59/387293559.db2.gz BZNDKDPOUFGXPI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1C1CC1 ZINC000423451331 387299008 /nfs/dbraw/zinc/29/90/08/387299008.db2.gz GIMQLTKHBLGZIO-WXDOIIRRSA-N 2 1 221.348 0.419 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865436 387302321 /nfs/dbraw/zinc/30/23/21/387302321.db2.gz UWKANUWXIDWLQF-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC(=O)NCC1CC1 ZINC000392999752 387307996 /nfs/dbraw/zinc/30/79/96/387307996.db2.gz WKVZYYJMTZXVFZ-CMPLNLGQSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502088 387355892 /nfs/dbraw/zinc/35/58/92/387355892.db2.gz XFFOKQRVZSBIKP-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000354325673 387358964 /nfs/dbraw/zinc/35/89/64/387358964.db2.gz WWRWROBBKPCIKY-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCO2)C[N@H+]1C1CC1 ZINC000423532488 387359594 /nfs/dbraw/zinc/35/95/94/387359594.db2.gz ZQOVTZZZCJROAD-WZRBSPASSA-N 2 1 239.363 0.190 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000336501060 387326374 /nfs/dbraw/zinc/32/63/74/387326374.db2.gz ISHVBRQJAVTWAA-LLVKDONJSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOCCO)CC1 ZINC000372988593 387339663 /nfs/dbraw/zinc/33/96/63/387339663.db2.gz DNAUGKCFGOHGPI-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOCCO)CC1 ZINC000372988593 387339668 /nfs/dbraw/zinc/33/96/68/387339668.db2.gz DNAUGKCFGOHGPI-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423502764 387342214 /nfs/dbraw/zinc/34/22/14/387342214.db2.gz FIRKYFSRZYXFPZ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000162076655 387383721 /nfs/dbraw/zinc/38/37/21/387383721.db2.gz IZJXGHMOMGFQOI-QMMMGPOBSA-N 2 1 204.277 1.000 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423513462 387348482 /nfs/dbraw/zinc/34/84/82/387348482.db2.gz LRBJBSWSODLGHF-AAEUAGOBSA-N 2 1 237.347 0.704 20 0 BCADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000423517178 387351222 /nfs/dbraw/zinc/35/12/22/387351222.db2.gz OAXHBBVYYMQCMD-RYUDHWBXSA-N 2 1 229.368 0.151 20 0 BCADMP CC(C)(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572378714 387352108 /nfs/dbraw/zinc/35/21/08/387352108.db2.gz PERKYIYQUCQUNR-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572378712 387352465 /nfs/dbraw/zinc/35/24/65/387352465.db2.gz PERKYIYQUCQUNR-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000515811243 387424975 /nfs/dbraw/zinc/42/49/75/387424975.db2.gz VXANWYTZROJHJL-JBLDHEPKSA-N 2 1 243.326 0.144 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423782704 387425036 /nfs/dbraw/zinc/42/50/36/387425036.db2.gz ZWRQMBKIDACNDZ-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423782704 387425040 /nfs/dbraw/zinc/42/50/40/387425040.db2.gz ZWRQMBKIDACNDZ-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423781346 387425483 /nfs/dbraw/zinc/42/54/83/387425483.db2.gz XIFPQXMMQIHWKF-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000423779063 387425855 /nfs/dbraw/zinc/42/58/55/387425855.db2.gz UMHGEYGTBPUVBB-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423844577 387435084 /nfs/dbraw/zinc/43/50/84/387435084.db2.gz JDQPQCHMQXOTHW-VHSXEESVSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]CCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423847191 387435395 /nfs/dbraw/zinc/43/53/95/387435395.db2.gz MDBLMQYLCNABKN-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423855955 387436204 /nfs/dbraw/zinc/43/62/04/387436204.db2.gz XOYBYZBKMRYACT-JTQLQIEISA-N 2 1 213.325 0.276 20 0 BCADMP CC[NH+](C)CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352686463 387438397 /nfs/dbraw/zinc/43/83/97/387438397.db2.gz ZYILXLZHEGELSJ-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423963312 387459883 /nfs/dbraw/zinc/45/98/83/387459883.db2.gz PNRNDJDCUAZLMA-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000515500820 387390950 /nfs/dbraw/zinc/39/09/50/387390950.db2.gz VSWPIBZBJNCUCN-CMPLNLGQSA-N 2 1 241.379 0.641 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423656641 387392634 /nfs/dbraw/zinc/39/26/34/387392634.db2.gz XICAELQFNMYBCA-SDDRHHMPSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000361091082 387400618 /nfs/dbraw/zinc/40/06/18/387400618.db2.gz IYNJUDDDWMRXBX-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721377 387403038 /nfs/dbraw/zinc/40/30/38/387403038.db2.gz BRKSNUSDJQNAEQ-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423771456 387420516 /nfs/dbraw/zinc/42/05/16/387420516.db2.gz INOYVBUXIONBEA-UTUOFQBUSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040924905 387500557 /nfs/dbraw/zinc/50/05/57/387500557.db2.gz YQRJJVJXAYZDDE-SNVBAGLBSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106919955 387525746 /nfs/dbraw/zinc/52/57/46/387525746.db2.gz XXYKFSDFTPPCJF-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106919955 387525751 /nfs/dbraw/zinc/52/57/51/387525751.db2.gz XXYKFSDFTPPCJF-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422020202 387539190 /nfs/dbraw/zinc/53/91/90/387539190.db2.gz LIJHXAJGACQTHU-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000122050038 387462840 /nfs/dbraw/zinc/46/28/40/387462840.db2.gz WYHQPIJZFQEASI-LLVKDONJSA-N 2 1 229.368 0.641 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423997940 387463715 /nfs/dbraw/zinc/46/37/15/387463715.db2.gz MABJEPWHWUAXAH-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP [NH3+]CC1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643508236 387481708 /nfs/dbraw/zinc/48/17/08/387481708.db2.gz VVRISAKQUGZARR-UHFFFAOYSA-N 3 1 211.353 0.846 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304487086 387488670 /nfs/dbraw/zinc/48/86/70/387488670.db2.gz HJGRVBHQOWMSTD-GFCCVEGCSA-N 2 1 226.320 0.625 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304487086 387488674 /nfs/dbraw/zinc/48/86/74/387488674.db2.gz HJGRVBHQOWMSTD-GFCCVEGCSA-N 2 1 226.320 0.625 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426686566 387585917 /nfs/dbraw/zinc/58/59/17/387585917.db2.gz GAOZNKKHGVPZTD-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599962 387604505 /nfs/dbraw/zinc/60/45/05/387604505.db2.gz SFAOZTKUQQJEIV-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP C[NH2+]CCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422605589 387605487 /nfs/dbraw/zinc/60/54/87/387605487.db2.gz GITNZPJEXQEMGB-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422614449 387606593 /nfs/dbraw/zinc/60/65/93/387606593.db2.gz YQVCKGUWZKYXKO-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CC(C)(CC[NH3+])NC(=O)NCC(F)(F)C[NH3+] ZINC000422614656 387606654 /nfs/dbraw/zinc/60/66/54/387606654.db2.gz YYQXFGYXDYSQND-UHFFFAOYSA-N 2 1 238.282 0.007 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422610833 387607543 /nfs/dbraw/zinc/60/75/43/387607543.db2.gz QWPONOHWQKLKKO-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP CN(CC(=O)N1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355759770 387577610 /nfs/dbraw/zinc/57/76/10/387577610.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430749852 387647889 /nfs/dbraw/zinc/64/78/89/387647889.db2.gz XQBUVZPRLSIDPC-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)C[C@H]1C ZINC000430796235 387651530 /nfs/dbraw/zinc/65/15/30/387651530.db2.gz KBFMNTYSUZPYOJ-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000430805947 387654631 /nfs/dbraw/zinc/65/46/31/387654631.db2.gz BAAOOTFCKXKJJS-UHFFFAOYSA-N 2 1 245.367 0.056 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430899995 387659023 /nfs/dbraw/zinc/65/90/23/387659023.db2.gz OCAGDRRPDXBYEN-MNOVXSKESA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)[C@@H]1CCC[NH2+]1 ZINC000422765119 387665834 /nfs/dbraw/zinc/66/58/34/387665834.db2.gz QFHYMGFGWPJTMD-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000422765327 387666796 /nfs/dbraw/zinc/66/67/96/387666796.db2.gz OVSFSHHCVITDHH-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]([NH3+])CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000431004011 387668846 /nfs/dbraw/zinc/66/88/46/387668846.db2.gz PVHRCMSZIBDLFY-MRVPVSSYSA-N 2 1 222.292 0.823 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](C)CC1 ZINC000527713308 387670454 /nfs/dbraw/zinc/67/04/54/387670454.db2.gz ZHWZJAJYXZENFB-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422780043 387677694 /nfs/dbraw/zinc/67/76/94/387677694.db2.gz JQYBMPXTTVPWFO-QJPTWQEYSA-N 2 1 214.353 0.981 20 0 BCADMP c1cn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000126522816 387685963 /nfs/dbraw/zinc/68/59/63/387685963.db2.gz KNMWYYHRIHHEKP-QWHCGFSZSA-N 2 1 249.362 0.885 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363106239 387688728 /nfs/dbraw/zinc/68/87/28/387688728.db2.gz GAQFPZDZFTZQBC-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422743140 387690393 /nfs/dbraw/zinc/69/03/93/387690393.db2.gz HZRHXBWSIYJMEF-OLZOCXBDSA-N 2 1 241.379 0.295 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422791417 387692558 /nfs/dbraw/zinc/69/25/58/387692558.db2.gz YJBUOAXNECYGDC-RYUDHWBXSA-N 2 1 231.384 0.670 20 0 BCADMP COCCCN(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422791417 387692562 /nfs/dbraw/zinc/69/25/62/387692562.db2.gz YJBUOAXNECYGDC-RYUDHWBXSA-N 2 1 231.384 0.670 20 0 BCADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000422875911 387753425 /nfs/dbraw/zinc/75/34/25/387753425.db2.gz DKYISKXJWZSAJT-NWDGAFQWSA-N 2 1 211.353 0.940 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000127049468 387703528 /nfs/dbraw/zinc/70/35/28/387703528.db2.gz AIFNCMFVXQTUJQ-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000127049468 387703531 /nfs/dbraw/zinc/70/35/31/387703531.db2.gz AIFNCMFVXQTUJQ-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000127049468 387703537 /nfs/dbraw/zinc/70/35/37/387703537.db2.gz AIFNCMFVXQTUJQ-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000377346117 387710262 /nfs/dbraw/zinc/71/02/62/387710262.db2.gz ONHCLKRDISVZSR-BXKDBHETSA-N 2 1 243.326 0.287 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127354430 387713081 /nfs/dbraw/zinc/71/30/81/387713081.db2.gz WLHYWHWVEBRPEG-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC(=O)NCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377390499 387714018 /nfs/dbraw/zinc/71/40/18/387714018.db2.gz JVSMREPSQNGFOH-ZDUSSCGKSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cccn1 ZINC000422815712 387715202 /nfs/dbraw/zinc/71/52/02/387715202.db2.gz YDJLBKTUAMATON-NEPJUHHUSA-N 2 1 222.336 0.861 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000356784140 387718874 /nfs/dbraw/zinc/71/88/74/387718874.db2.gz MCFOXHRQKNMGNC-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367811729 387755642 /nfs/dbraw/zinc/75/56/42/387755642.db2.gz VJVQCEKBSSDBPS-YNEHKIRRSA-N 2 1 249.358 0.149 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422840733 387731786 /nfs/dbraw/zinc/73/17/86/387731786.db2.gz CAFYVSAESPHKPC-NEPJUHHUSA-N 2 1 231.384 0.670 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422840733 387731792 /nfs/dbraw/zinc/73/17/92/387731792.db2.gz CAFYVSAESPHKPC-NEPJUHHUSA-N 3 1 231.384 0.670 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422840733 387731793 /nfs/dbraw/zinc/73/17/93/387731793.db2.gz CAFYVSAESPHKPC-NEPJUHHUSA-N 3 1 231.384 0.670 20 0 BCADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422847920 387735870 /nfs/dbraw/zinc/73/58/70/387735870.db2.gz AEOZRPTVKQNIIK-LPWJVIDDSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000367673844 387741163 /nfs/dbraw/zinc/74/11/63/387741163.db2.gz YIWPXFWPIZABPJ-ZYHUDNBSSA-N 2 1 248.330 0.149 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422890339 387763823 /nfs/dbraw/zinc/76/38/23/387763823.db2.gz RSRNZORJSDVXEV-FRRDWIJNSA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422889597 387763914 /nfs/dbraw/zinc/76/39/14/387763914.db2.gz GRDBTTXUWAHQGC-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129284113 387765717 /nfs/dbraw/zinc/76/57/17/387765717.db2.gz YTBJIQMEKJBCIB-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000441619186 387772120 /nfs/dbraw/zinc/77/21/20/387772120.db2.gz ZLRPFXZTKNFSPB-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[NH3+])CO2 ZINC000643529577 387776357 /nfs/dbraw/zinc/77/63/57/387776357.db2.gz CHGWUEBNYAJFKF-KOLCDFICSA-N 2 1 236.315 0.936 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422927715 387780147 /nfs/dbraw/zinc/78/01/47/387780147.db2.gz ZWNUTWATGFDFEH-UTUOFQBUSA-N 2 1 230.352 0.768 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422959839 387812420 /nfs/dbraw/zinc/81/24/20/387812420.db2.gz ABPKXFPVVOCPKM-GHMZBOCLSA-N 2 1 241.379 0.736 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCOC2)CCCO1 ZINC000432344817 387782974 /nfs/dbraw/zinc/78/29/74/387782974.db2.gz FTJYNKAHMYGPFO-CHWSQXEVSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC2)CCCO1 ZINC000432344817 387782977 /nfs/dbraw/zinc/78/29/77/387782977.db2.gz FTJYNKAHMYGPFO-CHWSQXEVSA-N 2 1 242.363 0.866 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422901816 387787601 /nfs/dbraw/zinc/78/76/01/387787601.db2.gz CLDNGECAJUVUDL-GHMZBOCLSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000157355222 387788759 /nfs/dbraw/zinc/78/87/59/387788759.db2.gz AHLIZCMHGWHKRJ-BBBLOLIVSA-N 2 1 213.325 0.132 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424149302 387790292 /nfs/dbraw/zinc/79/02/92/387790292.db2.gz WJLXJNZUYYIKDT-MNOVXSKESA-N 2 1 236.319 0.435 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982684 387794577 /nfs/dbraw/zinc/79/45/77/387794577.db2.gz XOALQIKERPSRCO-ADEWGFFLSA-N 2 1 212.337 0.735 20 0 BCADMP CSCC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422988363 387798667 /nfs/dbraw/zinc/79/86/67/387798667.db2.gz IUYQUOPLVVOOCC-DCAQKATOSA-N 2 1 232.393 0.831 20 0 BCADMP COC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309469735 387801641 /nfs/dbraw/zinc/80/16/41/387801641.db2.gz UDMVBBZHJJUYBF-LLVKDONJSA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309469735 387801646 /nfs/dbraw/zinc/80/16/46/387801646.db2.gz UDMVBBZHJJUYBF-LLVKDONJSA-N 2 1 230.352 0.456 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCCCCO)C1CC1 ZINC000309472335 387806257 /nfs/dbraw/zinc/80/62/57/387806257.db2.gz UMAFCPQQHHZGPC-GFCCVEGCSA-N 2 1 230.352 0.194 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCCO)C1CC1 ZINC000309472335 387806261 /nfs/dbraw/zinc/80/62/61/387806261.db2.gz UMAFCPQQHHZGPC-GFCCVEGCSA-N 2 1 230.352 0.194 20 0 BCADMP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000442654292 387808302 /nfs/dbraw/zinc/80/83/02/387808302.db2.gz AYDFZLNEGSLGPZ-QJPTWQEYSA-N 2 1 229.368 0.111 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422886970 387759446 /nfs/dbraw/zinc/75/94/46/387759446.db2.gz AFYJFHSQWKJCBV-OUAUKWLOSA-N 2 1 200.326 0.735 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424144275 387759383 /nfs/dbraw/zinc/75/93/83/387759383.db2.gz KYYKAPCSAGVKNZ-KXNHARMFSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]([NH3+])CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000442665721 387820091 /nfs/dbraw/zinc/82/00/91/387820091.db2.gz NPQJSBUAYJELLR-GFCCVEGCSA-N 2 1 249.358 0.857 20 0 BCADMP CC[C@H]([NH2+][C@@H](CCO)COC)[C@@H]1CCC[NH2+]1 ZINC000422973537 387823341 /nfs/dbraw/zinc/82/33/41/387823341.db2.gz CAXAOQHRJFLDEG-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H](CCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422974148 387824603 /nfs/dbraw/zinc/82/46/03/387824603.db2.gz DHSISHFMTAGSET-HBNTYKKESA-N 2 1 200.326 0.735 20 0 BCADMP CC[N@@H+](CC(=O)NCC[NH+]1CCCC1)C1CC1 ZINC000442709950 387827484 /nfs/dbraw/zinc/82/74/84/387827484.db2.gz PFOJEVSCJHEFOB-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1COC1 ZINC000528026862 387831707 /nfs/dbraw/zinc/83/17/07/387831707.db2.gz REUAJOCJXHCRLE-FOGDFJRCSA-N 2 1 212.337 0.951 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000309598194 387832545 /nfs/dbraw/zinc/83/25/45/387832545.db2.gz JEOQSGNJTMZICW-LLVKDONJSA-N 3 1 215.341 0.023 20 0 BCADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1COC1 ZINC000528032309 387833726 /nfs/dbraw/zinc/83/37/26/387833726.db2.gz ZVZZXXZBQNRADO-UHFFFAOYSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000643537565 387873502 /nfs/dbraw/zinc/87/35/02/387873502.db2.gz LTQMSUYWXIRTEM-FIQHERPVSA-N 2 1 241.354 0.901 20 0 BCADMP C[C@H](CO)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423015506 387839590 /nfs/dbraw/zinc/83/95/90/387839590.db2.gz RHDDVKNATFCXCJ-SRVKXCTJSA-N 2 1 214.353 0.983 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160763 387839643 /nfs/dbraw/zinc/83/96/43/387839643.db2.gz UPAJEBBNTMWIGX-MXWKQRLJSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000423074322 387873665 /nfs/dbraw/zinc/87/36/65/387873665.db2.gz UNQJKNAKTOZMGL-WYUUTHIRSA-N 2 1 212.337 0.735 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423031559 387845723 /nfs/dbraw/zinc/84/57/23/387845723.db2.gz XCUPJSCVPNYDNV-QCNOEVLYSA-N 2 1 239.363 0.631 20 0 BCADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CCC[NH2+]1 ZINC000423035244 387850470 /nfs/dbraw/zinc/85/04/70/387850470.db2.gz RIHALJISLHDWPI-GHMZBOCLSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CCC[NH2+]1 ZINC000423035247 387850595 /nfs/dbraw/zinc/85/05/95/387850595.db2.gz RIHALJISLHDWPI-WDEREUQCSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423035245 387851166 /nfs/dbraw/zinc/85/11/66/387851166.db2.gz RIHALJISLHDWPI-MNOVXSKESA-N 2 1 212.337 0.879 20 0 BCADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423036934 387851173 /nfs/dbraw/zinc/85/11/73/387851173.db2.gz LZCRFEWRGHMBJQ-WUHRBBMRSA-N 2 1 242.363 0.911 20 0 BCADMP CC[NH+](CC)CCOCCN[C@H](C)C1C[NH2+]C1 ZINC000423037858 387851287 /nfs/dbraw/zinc/85/12/87/387851287.db2.gz NHUGMRWGJNZHHR-GFCCVEGCSA-N 2 1 243.395 0.542 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423037178 387851689 /nfs/dbraw/zinc/85/16/89/387851689.db2.gz VPOQEPLEDTUYLG-VPOLOUISSA-N 2 1 200.326 0.876 20 0 BCADMP CSCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653577 387858740 /nfs/dbraw/zinc/85/87/40/387858740.db2.gz LIKBAHBAIWXJRV-AOOOYVTPSA-N 2 1 200.351 0.843 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423055245 387862456 /nfs/dbraw/zinc/86/24/56/387862456.db2.gz CYJDKKGCRZKCDG-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)O ZINC000423060766 387864088 /nfs/dbraw/zinc/86/40/88/387864088.db2.gz IVCDHUKZLGXLAA-VHSXEESVSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000423058839 387864458 /nfs/dbraw/zinc/86/44/58/387864458.db2.gz DJEITFCKYPJJHU-MNOVXSKESA-N 2 1 212.337 0.737 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536229 387867187 /nfs/dbraw/zinc/86/71/87/387867187.db2.gz OVTRGLBLWWYHFQ-GRYCIOLGSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536229 387867188 /nfs/dbraw/zinc/86/71/88/387867188.db2.gz OVTRGLBLWWYHFQ-GRYCIOLGSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536240 387867685 /nfs/dbraw/zinc/86/76/85/387867685.db2.gz OZYMGANMVXZUOY-TUAOUCFPSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536241 387868052 /nfs/dbraw/zinc/86/80/52/387868052.db2.gz OZYMGANMVXZUOY-UTUOFQBUSA-N 3 1 223.364 0.859 20 0 BCADMP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423065172 387868071 /nfs/dbraw/zinc/86/80/71/387868071.db2.gz AXEZJJDORZBODG-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP C[NH+](C)CCOCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423065172 387868073 /nfs/dbraw/zinc/86/80/73/387868073.db2.gz AXEZJJDORZBODG-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP C[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000151314171 387815071 /nfs/dbraw/zinc/81/50/71/387815071.db2.gz RTHLFMLQAXWOGY-UHFFFAOYSA-N 2 1 235.331 0.454 20 0 BCADMP C[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000151314171 387815075 /nfs/dbraw/zinc/81/50/75/387815075.db2.gz RTHLFMLQAXWOGY-UHFFFAOYSA-N 2 1 235.331 0.454 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422968139 387816615 /nfs/dbraw/zinc/81/66/15/387816615.db2.gz QKSGRAQFYVCLCC-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422969408 387819130 /nfs/dbraw/zinc/81/91/30/387819130.db2.gz UKMYKWNDFMIYTO-UWVGGRQHSA-N 2 1 227.352 0.346 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC3=CCCOC3)C[C@@H]2C1 ZINC000194536046 387890792 /nfs/dbraw/zinc/89/07/92/387890792.db2.gz XGJGAPQSHMCBCH-BETUJISGSA-N 2 1 222.332 0.827 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537239 387875033 /nfs/dbraw/zinc/87/50/33/387875033.db2.gz BOHUJULCLFQLRP-ZPFDUUQYSA-N 2 1 241.354 0.759 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000423074319 387875237 /nfs/dbraw/zinc/87/52/37/387875237.db2.gz UNQJKNAKTOZMGL-KKOKHZNYSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538390 387876442 /nfs/dbraw/zinc/87/64/42/387876442.db2.gz JDQMZCODOILRNF-BJDJZHNGSA-N 2 1 229.343 0.664 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCO ZINC000423084272 387879120 /nfs/dbraw/zinc/87/91/20/387879120.db2.gz HISLHCXEBFPPNR-QWRGUYRKSA-N 2 1 200.326 0.737 20 0 BCADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000077403794 387907685 /nfs/dbraw/zinc/90/76/85/387907685.db2.gz GCNVGYZWPAXRAC-AWEZNQCLSA-N 2 1 246.358 0.561 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400451783 387910585 /nfs/dbraw/zinc/91/05/85/387910585.db2.gz OUJPTFIDAHNNII-MNOVXSKESA-N 2 1 227.352 0.633 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCSC2)CC[N@H+]1C ZINC000158142328 387930307 /nfs/dbraw/zinc/93/03/07/387930307.db2.gz HCVRNASDLQRFFZ-IJLUTSLNSA-N 2 1 244.404 0.927 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423149666 387927037 /nfs/dbraw/zinc/92/70/37/387927037.db2.gz AWAZOVRWSPROFE-QNWHQSFQSA-N 2 1 242.363 0.626 20 0 BCADMP C[C@H]1CC2(C[N@H+]1CCn1cncn1)CC[NH2+]CC2 ZINC000424286117 387952344 /nfs/dbraw/zinc/95/23/44/387952344.db2.gz GZCUPJOECBNICQ-LBPRGKRZSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(CO)CC1 ZINC000423161124 387944006 /nfs/dbraw/zinc/94/40/06/387944006.db2.gz NJBQEDXICIGUPO-GHMZBOCLSA-N 2 1 212.337 0.737 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423107963 387945051 /nfs/dbraw/zinc/94/50/51/387945051.db2.gz LTVFHOBPWRFGCA-WOPDTQHZSA-N 2 1 214.353 0.839 20 0 BCADMP COCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400457944 387956257 /nfs/dbraw/zinc/95/62/57/387956257.db2.gz QOHOTBFTTQMEDH-IJLUTSLNSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423163613 387945833 /nfs/dbraw/zinc/94/58/33/387945833.db2.gz MZQQMJLIHAPEBA-NOOOWODRSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@H](CCCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423164263 387945961 /nfs/dbraw/zinc/94/59/61/387945961.db2.gz WLVXZBUSDHLFSR-UTUOFQBUSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423165125 387948752 /nfs/dbraw/zinc/94/87/52/387948752.db2.gz XWXNQZZKXSKQFI-QWRGUYRKSA-N 2 1 214.353 0.983 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185898 387970172 /nfs/dbraw/zinc/97/01/72/387970172.db2.gz NUUPLMWZJGSOAO-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]CC[NH3+])c1ccccc1-n1ccnn1 ZINC000423186901 387971500 /nfs/dbraw/zinc/97/15/00/387971500.db2.gz OOQXQGKEXKESAE-JTQLQIEISA-N 2 1 231.303 0.877 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957341 /nfs/dbraw/zinc/95/73/41/387957341.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957347 /nfs/dbraw/zinc/95/73/47/387957347.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957351 /nfs/dbraw/zinc/95/73/51/387957351.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 2 1 244.379 0.656 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245695533 387973667 /nfs/dbraw/zinc/97/36/67/387973667.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245695533 387973672 /nfs/dbraw/zinc/97/36/72/387973672.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CNC(=O)[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245695533 387973675 /nfs/dbraw/zinc/97/36/75/387973675.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423189181 387973955 /nfs/dbraw/zinc/97/39/55/387973955.db2.gz MRTYEZGPNSJSJA-WOPDTQHZSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423189181 387973959 /nfs/dbraw/zinc/97/39/59/387973959.db2.gz MRTYEZGPNSJSJA-WOPDTQHZSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423189181 387973962 /nfs/dbraw/zinc/97/39/62/387973962.db2.gz MRTYEZGPNSJSJA-WOPDTQHZSA-N 3 1 211.353 0.798 20 0 BCADMP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423209626 387993239 /nfs/dbraw/zinc/99/32/39/387993239.db2.gz VISXOPJLMREYSJ-STQMWFEESA-N 3 1 240.395 0.012 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370988 387997002 /nfs/dbraw/zinc/99/70/02/387997002.db2.gz FLPMIKUPOMHMRF-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370988 387997006 /nfs/dbraw/zinc/99/70/06/387997006.db2.gz FLPMIKUPOMHMRF-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423222218 388002603 /nfs/dbraw/zinc/00/26/03/388002603.db2.gz AGGZSVGZUHACJC-AXFHLTTASA-N 2 1 211.353 0.939 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000446285825 388010907 /nfs/dbraw/zinc/01/09/07/388010907.db2.gz YICSXTPPLUNQRY-SDDRHHMPSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H](NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248756 388032056 /nfs/dbraw/zinc/03/20/56/388032056.db2.gz NSOBSFVEBKUXGH-GRYCIOLGSA-N 2 1 211.353 0.716 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000082475443 388035708 /nfs/dbraw/zinc/03/57/08/388035708.db2.gz RLAIVXCGNKAMGY-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC000082598272 388037441 /nfs/dbraw/zinc/03/74/41/388037441.db2.gz QWEJMGPSKDWYQX-FOSCPWQOSA-N 2 1 221.304 0.871 20 0 BCADMP CN(C)c1nc(N2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000082924361 388042774 /nfs/dbraw/zinc/04/27/74/388042774.db2.gz YSLVCRIUFVSCTO-SECBINFHSA-N 2 1 221.308 0.470 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423278843 388059804 /nfs/dbraw/zinc/05/98/04/388059804.db2.gz RRQBHCOQUPXPJF-SDDRHHMPSA-N 2 1 213.369 0.949 20 0 BCADMP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083834688 388064051 /nfs/dbraw/zinc/06/40/51/388064051.db2.gz ZJVRBCNEHVFSTB-SECBINFHSA-N 2 1 223.320 0.078 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423284886 388070009 /nfs/dbraw/zinc/07/00/09/388070009.db2.gz XIVUBDKXMLUFGW-WCQGTBRESA-N 2 1 211.353 0.654 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453406135 388074532 /nfs/dbraw/zinc/07/45/32/388074532.db2.gz TWLAHUWUAJNHFO-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453406135 388074534 /nfs/dbraw/zinc/07/45/34/388074534.db2.gz TWLAHUWUAJNHFO-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453406132 388075323 /nfs/dbraw/zinc/07/53/23/388075323.db2.gz TWLAHUWUAJNHFO-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453406132 388075325 /nfs/dbraw/zinc/07/53/25/388075325.db2.gz TWLAHUWUAJNHFO-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009593 388083103 /nfs/dbraw/zinc/08/31/03/388083103.db2.gz FMEZWDHLOLJFNI-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000085438622 388087937 /nfs/dbraw/zinc/08/79/37/388087937.db2.gz YGQPOPDSXZAJTK-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447914267 388102695 /nfs/dbraw/zinc/10/26/95/388102695.db2.gz OSFHEUMKXGXGKL-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449242265 388161219 /nfs/dbraw/zinc/16/12/19/388161219.db2.gz DZLBVCGJRXAJSM-MXWKQRLJSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449242265 388161221 /nfs/dbraw/zinc/16/12/21/388161221.db2.gz DZLBVCGJRXAJSM-MXWKQRLJSA-N 2 1 230.377 0.394 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000646210403 388165180 /nfs/dbraw/zinc/16/51/80/388165180.db2.gz IVDITEBHJLRDHJ-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070706 388137103 /nfs/dbraw/zinc/13/71/03/388137103.db2.gz KTBMNYFTNPNLAK-GHMZBOCLSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000449105801 388143057 /nfs/dbraw/zinc/14/30/57/388143057.db2.gz IWKBUSAVRLLYIB-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000449105799 388143077 /nfs/dbraw/zinc/14/30/77/388143077.db2.gz IWKBUSAVRLLYIB-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449148487 388149300 /nfs/dbraw/zinc/14/93/00/388149300.db2.gz TWVMDNAFDHJIBU-QJPTWQEYSA-N 2 1 241.379 0.973 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449397635 388194722 /nfs/dbraw/zinc/19/47/22/388194722.db2.gz RARVFXVSJSTRGV-RKDXNWHRSA-N 2 1 249.305 0.604 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569500 388236058 /nfs/dbraw/zinc/23/60/58/388236058.db2.gz HMBMDVQETPBJRC-WHOHXGKFSA-N 2 1 237.347 0.195 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449575391 388236901 /nfs/dbraw/zinc/23/69/01/388236901.db2.gz MFRHDZXTSQHAPD-PWSUYJOCSA-N 2 1 245.342 0.535 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449599738 388239859 /nfs/dbraw/zinc/23/98/59/388239859.db2.gz HRVNKSKRYZKYNB-GMTAPVOTSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000449611388 388242571 /nfs/dbraw/zinc/24/25/71/388242571.db2.gz VLTXYVVPVMNAKN-AXFHLTTASA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449621555 388244411 /nfs/dbraw/zinc/24/44/11/388244411.db2.gz HUCCGKCJVLVWHF-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000629585642 388283116 /nfs/dbraw/zinc/28/31/16/388283116.db2.gz ZVABNHPZNXJVQT-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP O=C(C[NH2+]C1CC1)N1CC[NH2+]Cc2ccccc21 ZINC000516749827 256603294 /nfs/dbraw/zinc/60/32/94/256603294.db2.gz MLIXQRLYLKWDGP-UHFFFAOYSA-N 2 1 245.326 0.875 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491869761 388325461 /nfs/dbraw/zinc/32/54/61/388325461.db2.gz NMXVTISRUGEUNA-GZTOBOFZSA-N 2 1 225.336 0.267 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910864 388327354 /nfs/dbraw/zinc/32/73/54/388327354.db2.gz ZGMFSYQGNWFOGO-XYLWRLHESA-N 2 1 239.363 0.705 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953452 388269282 /nfs/dbraw/zinc/26/92/82/388269282.db2.gz UPTXHVOSRLVBEX-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953485 388269419 /nfs/dbraw/zinc/26/94/19/388269419.db2.gz VUUINCBMAJPNDP-RYUDHWBXSA-N 2 1 239.363 0.570 20 0 BCADMP CC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]C1 ZINC000645953380 388269524 /nfs/dbraw/zinc/26/95/24/388269524.db2.gz RKYYGHVHZXVGLC-LLVKDONJSA-N 2 1 237.347 0.196 20 0 BCADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(N)=O)CC1 ZINC000524156076 388348379 /nfs/dbraw/zinc/34/83/79/388348379.db2.gz HFCXHOPKJWDALZ-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648783030 388351500 /nfs/dbraw/zinc/35/15/00/388351500.db2.gz MJTQSYAEZHCSBA-IJLUTSLNSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648783031 388351557 /nfs/dbraw/zinc/35/15/57/388351557.db2.gz MJTQSYAEZHCSBA-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000354292801 388378769 /nfs/dbraw/zinc/37/87/69/388378769.db2.gz XOFNPPQJVVMCLJ-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000236824842 388384821 /nfs/dbraw/zinc/38/48/21/388384821.db2.gz VUCIBXMDWXQCRU-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CO[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1C ZINC000261530528 135158070 /nfs/dbraw/zinc/15/80/70/135158070.db2.gz CQEFDPHIXYKQNH-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)C[NH3+] ZINC000237085090 388390213 /nfs/dbraw/zinc/39/02/13/388390213.db2.gz QCSFXUZULMUBOS-NSHDSACASA-N 2 1 241.379 0.772 20 0 BCADMP CC[C@H](CO)[N@@H+](C)CCn1ccnc1C ZINC000294299506 388397770 /nfs/dbraw/zinc/39/77/70/388397770.db2.gz ZROVZIRTPIHPFL-LLVKDONJSA-N 2 1 211.309 0.894 20 0 BCADMP CC[C@H](CO)[N@H+](C)CCn1cc[nH+]c1C ZINC000294299506 388397773 /nfs/dbraw/zinc/39/77/73/388397773.db2.gz ZROVZIRTPIHPFL-LLVKDONJSA-N 2 1 211.309 0.894 20 0 BCADMP CC[C@H](CO)[N@@H+](C)CCn1cc[nH+]c1C ZINC000294299506 388397776 /nfs/dbraw/zinc/39/77/76/388397776.db2.gz ZROVZIRTPIHPFL-LLVKDONJSA-N 2 1 211.309 0.894 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646650866 388402884 /nfs/dbraw/zinc/40/28/84/388402884.db2.gz MADWMDQELLVNQV-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1C ZINC000631668576 388402902 /nfs/dbraw/zinc/40/29/02/388402902.db2.gz BYFRNULKXVIDHN-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1C ZINC000631668576 388402905 /nfs/dbraw/zinc/40/29/05/388402905.db2.gz BYFRNULKXVIDHN-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000167337595 388440195 /nfs/dbraw/zinc/44/01/95/388440195.db2.gz XGCLLQDBPDVCCU-NSHDSACASA-N 2 1 241.379 0.973 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCC[C@H]1O ZINC000336904833 388442486 /nfs/dbraw/zinc/44/24/86/388442486.db2.gz WLJOBFGDMUATQM-WDEREUQCSA-N 2 1 200.326 0.818 20 0 BCADMP C[NH+](C)CC(C)(C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000308638677 388446570 /nfs/dbraw/zinc/44/65/70/388446570.db2.gz WSTPRHIBHHNVJM-GFCCVEGCSA-N 2 1 243.395 0.371 20 0 BCADMP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045262 388448191 /nfs/dbraw/zinc/44/81/91/388448191.db2.gz MXHKVNHBKUZTNN-VXGBXAGGSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000646742803 388451645 /nfs/dbraw/zinc/45/16/45/388451645.db2.gz FGPSTRKRWINXTR-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467657 /nfs/dbraw/zinc/46/76/57/388467657.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467659 /nfs/dbraw/zinc/46/76/59/388467659.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C([C@@H]1CCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393801676 388410388 /nfs/dbraw/zinc/41/03/88/388410388.db2.gz SYFJIPMISUBDLZ-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646672805 388411534 /nfs/dbraw/zinc/41/15/34/388411534.db2.gz PVKAIGJGOFMVRL-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646672804 388411803 /nfs/dbraw/zinc/41/18/03/388411803.db2.gz PVKAIGJGOFMVRL-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+](CC(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000077418190 388479212 /nfs/dbraw/zinc/47/92/12/388479212.db2.gz UZRFYZVGAKOHFA-CYBMUJFWSA-N 2 1 247.342 0.597 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000077418190 388479216 /nfs/dbraw/zinc/47/92/16/388479216.db2.gz UZRFYZVGAKOHFA-CYBMUJFWSA-N 2 1 247.342 0.597 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000166640219 388429986 /nfs/dbraw/zinc/42/99/86/388429986.db2.gz ZTYFPIAVYOHXEZ-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784789 388486651 /nfs/dbraw/zinc/48/66/51/388486651.db2.gz WPBXJPZGCJOEBT-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784789 388486654 /nfs/dbraw/zinc/48/66/54/388486654.db2.gz WPBXJPZGCJOEBT-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784789 388486657 /nfs/dbraw/zinc/48/66/57/388486657.db2.gz WPBXJPZGCJOEBT-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](O)CC1)C1CC1 ZINC000339784789 388486661 /nfs/dbraw/zinc/48/66/61/388486661.db2.gz WPBXJPZGCJOEBT-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273359 388488258 /nfs/dbraw/zinc/48/82/58/388488258.db2.gz FEMSCCQBIJCPTO-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000547824782 388488920 /nfs/dbraw/zinc/48/89/20/388488920.db2.gz NSUXESSUSWDHAH-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000547824782 388488924 /nfs/dbraw/zinc/48/89/24/388488924.db2.gz NSUXESSUSWDHAH-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP CC[C@]1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000378736174 388490290 /nfs/dbraw/zinc/49/02/90/388490290.db2.gz GGVYBIXAQMQDTM-OLZOCXBDSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CN ZINC000261555498 135194960 /nfs/dbraw/zinc/19/49/60/135194960.db2.gz VBYBWGADLDPPID-MNOVXSKESA-N 2 1 215.341 0.021 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CN ZINC000261555498 135194962 /nfs/dbraw/zinc/19/49/62/135194962.db2.gz VBYBWGADLDPPID-MNOVXSKESA-N 3 1 215.341 0.021 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CCCO)C1 ZINC000516876461 388522927 /nfs/dbraw/zinc/52/29/27/388522927.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CCCO)C1 ZINC000516876461 388522929 /nfs/dbraw/zinc/52/29/29/388522929.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000516876461 388522932 /nfs/dbraw/zinc/52/29/32/388522932.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000516876461 388522934 /nfs/dbraw/zinc/52/29/34/388522934.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306153 388591499 /nfs/dbraw/zinc/59/14/99/388591499.db2.gz CUCLVBTVLZYAPH-LLVKDONJSA-N 2 1 247.342 0.856 20 0 BCADMP Cc1noc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000358021498 388553664 /nfs/dbraw/zinc/55/36/64/388553664.db2.gz HPKRINVWULLNNM-ONGXEEELSA-N 2 1 238.335 0.850 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576050 388570162 /nfs/dbraw/zinc/57/01/62/388570162.db2.gz PQZYHVPJENPPFM-RVMXOQNASA-N 2 1 224.348 0.996 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576050 388570165 /nfs/dbraw/zinc/57/01/65/388570165.db2.gz PQZYHVPJENPPFM-RVMXOQNASA-N 2 1 224.348 0.996 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000615562440 388577700 /nfs/dbraw/zinc/57/77/00/388577700.db2.gz HSYQWQQOBUEPOP-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000615562440 388577704 /nfs/dbraw/zinc/57/77/04/388577704.db2.gz HSYQWQQOBUEPOP-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000615562440 388577708 /nfs/dbraw/zinc/57/77/08/388577708.db2.gz HSYQWQQOBUEPOP-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301617 388584493 /nfs/dbraw/zinc/58/44/93/388584493.db2.gz HBMMTNBLIVUALA-FHUSYTEZSA-N 2 1 249.358 0.480 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301608 388584543 /nfs/dbraw/zinc/58/45/43/388584543.db2.gz GLJLIMIQVDAGPV-FPYNETTCSA-N 2 1 249.358 0.195 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000521998461 388674042 /nfs/dbraw/zinc/67/40/42/388674042.db2.gz LCLPJHNWUPHCFO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192721021 388682714 /nfs/dbraw/zinc/68/27/14/388682714.db2.gz LPOWTNHJXSDNBR-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178043 388622056 /nfs/dbraw/zinc/62/20/56/388622056.db2.gz NWDUCGUWQOJERD-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530205210 388626292 /nfs/dbraw/zinc/62/62/92/388626292.db2.gz DQRZVRINRWVGKY-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530217291 388630005 /nfs/dbraw/zinc/63/00/05/388630005.db2.gz APGZJDAGTKHTFI-ZYGVAYEYSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216143 388630521 /nfs/dbraw/zinc/63/05/21/388630521.db2.gz MWLBXMSQZHACCF-GHMZBOCLSA-N 2 1 211.353 0.988 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240789 388637710 /nfs/dbraw/zinc/63/77/10/388637710.db2.gz NVNYPRPDQIVRCI-AAEUAGOBSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000530247401 388639739 /nfs/dbraw/zinc/63/97/39/388639739.db2.gz RTXFCRZYWAGGRK-IJLUTSLNSA-N 2 1 227.352 0.095 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000530247400 388639772 /nfs/dbraw/zinc/63/97/72/388639772.db2.gz RTXFCRZYWAGGRK-GRYCIOLGSA-N 2 1 227.352 0.095 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000551921752 388647533 /nfs/dbraw/zinc/64/75/33/388647533.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000551921752 388647534 /nfs/dbraw/zinc/64/75/34/388647534.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000551921752 388647537 /nfs/dbraw/zinc/64/75/37/388647537.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 1 248.330 0.335 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000261554918 388648271 /nfs/dbraw/zinc/64/82/71/388648271.db2.gz PKDYQDZLDOVPLM-LBPRGKRZSA-N 2 1 238.335 0.825 20 0 BCADMP COC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000261587030 135228565 /nfs/dbraw/zinc/22/85/65/135228565.db2.gz ROIRNQGLVYZCBK-BDAKNGLRSA-N 2 1 214.309 0.607 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C ZINC000261587030 135228566 /nfs/dbraw/zinc/22/85/66/135228566.db2.gz ROIRNQGLVYZCBK-BDAKNGLRSA-N 2 1 214.309 0.607 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251202433 388746025 /nfs/dbraw/zinc/74/60/25/388746025.db2.gz KZBUNNCWHGWCDJ-WOPDTQHZSA-N 2 1 212.337 0.974 20 0 BCADMP CCCN(C(=O)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000649000260 388689413 /nfs/dbraw/zinc/68/94/13/388689413.db2.gz SAYSILPPFKJQPQ-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCCN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000649000260 388689414 /nfs/dbraw/zinc/68/94/14/388689414.db2.gz SAYSILPPFKJQPQ-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP COCC1([NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000552313260 388692185 /nfs/dbraw/zinc/69/21/85/388692185.db2.gz WADSXXWJFDMQFR-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522185178 388717424 /nfs/dbraw/zinc/71/74/24/388717424.db2.gz BVWCCXCPSMFPJZ-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000226397246 388718497 /nfs/dbraw/zinc/71/84/97/388718497.db2.gz JVHSLRZGIVTVDE-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249490907 388724739 /nfs/dbraw/zinc/72/47/39/388724739.db2.gz YILULRZDGGEUDS-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249490907 388724740 /nfs/dbraw/zinc/72/47/40/388724740.db2.gz YILULRZDGGEUDS-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000564211029 388725548 /nfs/dbraw/zinc/72/55/48/388725548.db2.gz MTWFKYWOPJQAOY-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000540022475 388792830 /nfs/dbraw/zinc/79/28/30/388792830.db2.gz PJNRKYCVCVNKRH-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000068195924 388766183 /nfs/dbraw/zinc/76/61/83/388766183.db2.gz XZBSWCNZJLWMAF-NSHDSACASA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000648771139 388861282 /nfs/dbraw/zinc/86/12/82/388861282.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000648771139 388861283 /nfs/dbraw/zinc/86/12/83/388861283.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000648771139 388861285 /nfs/dbraw/zinc/86/12/85/388861285.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP Cn1nncc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000129756739 388869357 /nfs/dbraw/zinc/86/93/57/388869357.db2.gz UFLIBKGKPNQUHB-SNVBAGLBSA-N 2 1 223.324 0.247 20 0 BCADMP C[C@H](O)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000564863317 388895731 /nfs/dbraw/zinc/89/57/31/388895731.db2.gz INJYNGMZWMMDMD-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194867018 388901390 /nfs/dbraw/zinc/90/13/90/388901390.db2.gz PSZMASZXMSMHBM-CMPLNLGQSA-N 2 1 235.331 0.753 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000564576474 388878526 /nfs/dbraw/zinc/87/85/26/388878526.db2.gz MNMRYNJOWRIWHC-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000564576474 388878528 /nfs/dbraw/zinc/87/85/28/388878528.db2.gz MNMRYNJOWRIWHC-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000262160934 388907681 /nfs/dbraw/zinc/90/76/81/388907681.db2.gz VBQKYYZICIBDFB-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC ZINC000565033290 388909957 /nfs/dbraw/zinc/90/99/57/388909957.db2.gz ACDZTPCLXRIDEG-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000565039841 388910089 /nfs/dbraw/zinc/91/00/89/388910089.db2.gz FDQBKAWTDMCALM-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP COCC[NH2+]C1CC[NH+]([C@@H](C)COC)CC1 ZINC000565095570 388914134 /nfs/dbraw/zinc/91/41/34/388914134.db2.gz BGUNXKPEFWVFGC-NSHDSACASA-N 2 1 230.352 0.722 20 0 BCADMP CC[C@H](C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565233681 388924692 /nfs/dbraw/zinc/92/46/92/388924692.db2.gz OJNHYPCGUDIDPF-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP CC(=O)N1CC(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000565218246 388927320 /nfs/dbraw/zinc/92/73/20/388927320.db2.gz MGFZXPSYKKQBID-ZANVPECISA-N 2 1 237.347 0.289 20 0 BCADMP CC(=O)N1CC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000565218244 388927398 /nfs/dbraw/zinc/92/73/98/388927398.db2.gz MGFZXPSYKKQBID-TVQRCGJNSA-N 2 1 237.347 0.289 20 0 BCADMP CC[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000565308787 388935356 /nfs/dbraw/zinc/93/53/56/388935356.db2.gz DPHIMRIEVPMNTD-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(CC)(CC)CCO ZINC000565548987 388954425 /nfs/dbraw/zinc/95/44/25/388954425.db2.gz KRXBVDQHFBHVOK-GFCCVEGCSA-N 2 1 246.395 0.830 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566010574 388983436 /nfs/dbraw/zinc/98/34/36/388983436.db2.gz JTNIJUSYBICXTE-SECBINFHSA-N 2 1 249.305 0.440 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCO[C@H](C)C1 ZINC000566069133 388986056 /nfs/dbraw/zinc/98/60/56/388986056.db2.gz WRIUHTPNRSHROP-JHJVBQTASA-N 2 1 241.379 0.376 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000566091316 388987399 /nfs/dbraw/zinc/98/73/99/388987399.db2.gz XFFYOTIXNJLCIJ-GMTAPVOTSA-N 2 1 225.336 0.467 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000566111690 388987714 /nfs/dbraw/zinc/98/77/14/388987714.db2.gz FGJDAOLIDUMIAY-QWHCGFSZSA-N 2 1 244.379 0.561 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000566111687 388988112 /nfs/dbraw/zinc/98/81/12/388988112.db2.gz FGJDAOLIDUMIAY-CHWSQXEVSA-N 2 1 244.379 0.561 20 0 BCADMP Cn1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000271828045 389027134 /nfs/dbraw/zinc/02/71/34/389027134.db2.gz OIJVIPWMZFTYRE-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP Cn1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000271828045 389027139 /nfs/dbraw/zinc/02/71/39/389027139.db2.gz OIJVIPWMZFTYRE-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261535704 533377173 /nfs/dbraw/zinc/37/71/73/533377173.db2.gz PCHQMAAFDZHCGV-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261527312 533377897 /nfs/dbraw/zinc/37/78/97/533377897.db2.gz RXZBOCKQFQPUJU-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000372335946 132285828 /nfs/dbraw/zinc/28/58/28/132285828.db2.gz BUUPUDRUINOAMS-CYBMUJFWSA-N 2 1 233.315 0.911 20 0 BCADMP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000372335946 132285830 /nfs/dbraw/zinc/28/58/30/132285830.db2.gz BUUPUDRUINOAMS-CYBMUJFWSA-N 2 1 233.315 0.911 20 0 BCADMP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCN1CCOCC1 ZINC000351933166 134014449 /nfs/dbraw/zinc/01/44/49/134014449.db2.gz AJRCKWRQUXNACV-QWHCGFSZSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCN1CCOCC1 ZINC000351933166 134014450 /nfs/dbraw/zinc/01/44/50/134014450.db2.gz AJRCKWRQUXNACV-QWHCGFSZSA-N 2 1 241.379 0.343 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000335969174 134029145 /nfs/dbraw/zinc/02/91/45/134029145.db2.gz PJCZFRSFPQLYNB-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335969174 134029146 /nfs/dbraw/zinc/02/91/46/134029146.db2.gz PJCZFRSFPQLYNB-QWRGUYRKSA-N 2 1 225.336 0.101 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335972452 134030181 /nfs/dbraw/zinc/03/01/81/134030181.db2.gz VZDWPMXZDWSPMO-LBPRGKRZSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@@H]1O ZINC000352115825 134073031 /nfs/dbraw/zinc/07/30/31/134073031.db2.gz OXRCOVNJQMQWHT-XQQFMLRXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@@H]1O ZINC000352115825 134073032 /nfs/dbraw/zinc/07/30/32/134073032.db2.gz OXRCOVNJQMQWHT-XQQFMLRXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000352115825 134073033 /nfs/dbraw/zinc/07/30/33/134073033.db2.gz OXRCOVNJQMQWHT-XQQFMLRXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000352115825 134073034 /nfs/dbraw/zinc/07/30/34/134073034.db2.gz OXRCOVNJQMQWHT-XQQFMLRXSA-N 2 1 242.363 0.287 20 0 BCADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]Cc2ccccc21 ZINC000336173795 134116227 /nfs/dbraw/zinc/11/62/27/134116227.db2.gz RKFKUQZBDIYVGI-LLVKDONJSA-N 2 1 231.299 0.485 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168557997 134226583 /nfs/dbraw/zinc/22/65/83/134226583.db2.gz PHDPTLVYRZWAPU-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907641 134297189 /nfs/dbraw/zinc/29/71/89/134297189.db2.gz YSTDIDGRFXOWKG-JTQLQIEISA-N 2 1 239.363 0.442 20 0 BCADMP OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177795633 134299894 /nfs/dbraw/zinc/29/98/94/134299894.db2.gz QMEJENPQXQSCJS-LBPRGKRZSA-N 2 1 212.337 0.929 20 0 BCADMP OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177795633 134299895 /nfs/dbraw/zinc/29/98/95/134299895.db2.gz QMEJENPQXQSCJS-LBPRGKRZSA-N 2 1 212.337 0.929 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH3+])[C@H](C)C1 ZINC000178814148 134315671 /nfs/dbraw/zinc/31/56/71/134315671.db2.gz LDJYNLHXHYCWKM-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CCn1cnnc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222027372 134329157 /nfs/dbraw/zinc/32/91/57/134329157.db2.gz KNEZPDMFAAGYLY-QWRGUYRKSA-N 2 1 237.351 0.870 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)CC[N@H+]1C ZINC000222425499 134332056 /nfs/dbraw/zinc/33/20/56/134332056.db2.gz HBLBHPCEMHISAR-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCO1 ZINC000223077886 134336053 /nfs/dbraw/zinc/33/60/53/134336053.db2.gz LVOJOZDFIRHKRP-GMTAPVOTSA-N 2 1 216.325 0.066 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227372 134345284 /nfs/dbraw/zinc/34/52/84/134345284.db2.gz BSGMAVHROQMZIH-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227372 134345285 /nfs/dbraw/zinc/34/52/85/134345285.db2.gz BSGMAVHROQMZIH-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227269 134345516 /nfs/dbraw/zinc/34/55/16/134345516.db2.gz BSGMAVHROQMZIH-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227269 134345517 /nfs/dbraw/zinc/34/55/17/134345517.db2.gz BSGMAVHROQMZIH-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394035 134364992 /nfs/dbraw/zinc/36/49/92/134364992.db2.gz XXJBMHGTUZTWIT-ZJUUUORDSA-N 2 1 245.392 0.277 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401473 134365341 /nfs/dbraw/zinc/36/53/41/134365341.db2.gz VZDSZEWAEFBBQL-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401473 134365342 /nfs/dbraw/zinc/36/53/42/134365342.db2.gz VZDSZEWAEFBBQL-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227130961 134376528 /nfs/dbraw/zinc/37/65/28/134376528.db2.gz MWDXAOQTVWLLLE-IRCOFANPSA-N 2 1 230.352 0.312 20 0 BCADMP CC[C@@](C)(CO)[NH2+]C1CC[NH+](C)CC1 ZINC000130314647 134618353 /nfs/dbraw/zinc/61/83/53/134618353.db2.gz KWTAEQRFDDKRQA-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000237141002 134845357 /nfs/dbraw/zinc/84/53/57/134845357.db2.gz PWQWJPHADPJESU-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000248672546 135018687 /nfs/dbraw/zinc/01/86/87/135018687.db2.gz VCKSDFUPKOZMPV-LBPRGKRZSA-N 2 1 235.331 0.893 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250705317 135057877 /nfs/dbraw/zinc/05/78/77/135057877.db2.gz BSGAODQXEMSEMI-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250705317 135057879 /nfs/dbraw/zinc/05/78/79/135057879.db2.gz BSGAODQXEMSEMI-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N(C)C ZINC000251026801 135061928 /nfs/dbraw/zinc/06/19/28/135061928.db2.gz HOFRLAXOHQZEIS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N(C)C ZINC000251026801 135061929 /nfs/dbraw/zinc/06/19/29/135061929.db2.gz HOFRLAXOHQZEIS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000251376864 135071309 /nfs/dbraw/zinc/07/13/09/135071309.db2.gz YHLSEWOWTHGEAL-PWSUYJOCSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000251376864 135071310 /nfs/dbraw/zinc/07/13/10/135071310.db2.gz YHLSEWOWTHGEAL-PWSUYJOCSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000251749440 135076961 /nfs/dbraw/zinc/07/69/61/135076961.db2.gz DCIJECMRBAGGJE-NAKRPEOUSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000251749440 135076963 /nfs/dbraw/zinc/07/69/63/135076963.db2.gz DCIJECMRBAGGJE-NAKRPEOUSA-N 2 1 200.326 0.828 20 0 BCADMP C[C@H]1CSCC[N@H+]1CCOCC[NH3+] ZINC000086435815 135083995 /nfs/dbraw/zinc/08/39/95/135083995.db2.gz XZKUYFJJRZHDJO-VIFPVBQESA-N 2 1 204.339 0.399 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000252093017 135083951 /nfs/dbraw/zinc/08/39/51/135083951.db2.gz DZMIJOSCNOMNSX-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCOC1 ZINC000086435787 135084185 /nfs/dbraw/zinc/08/41/85/135084185.db2.gz UXUVXORXADUCKO-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCCO1 ZINC000086435487 135084187 /nfs/dbraw/zinc/08/41/87/135084187.db2.gz XPIIXIOMMGYDFF-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000086435578 135084717 /nfs/dbraw/zinc/08/47/17/135084717.db2.gz AURJQIBNXXKPOF-QWRGUYRKSA-N 2 1 214.309 0.215 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252464841 135090896 /nfs/dbraw/zinc/09/08/96/135090896.db2.gz MWDXAOQTVWLLLE-NNYUYHANSA-N 2 1 230.352 0.312 20 0 BCADMP C[S@](=O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703339 135097837 /nfs/dbraw/zinc/09/78/37/135097837.db2.gz WQBGQSDNBSSOLL-WQGACYEGSA-N 2 1 244.404 0.971 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715721 135101494 /nfs/dbraw/zinc/10/14/94/135101494.db2.gz WMZDSUPPKAJHAR-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP C[NH2+]CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000086930509 135103197 /nfs/dbraw/zinc/10/31/97/135103197.db2.gz KHHJQBVMLQHXFZ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252730511 135103432 /nfs/dbraw/zinc/10/34/32/135103432.db2.gz LRKZTIXDQOWGIK-FRRDWIJNSA-N 2 1 241.379 0.247 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000087121901 135106973 /nfs/dbraw/zinc/10/69/73/135106973.db2.gz WQPIEEQABCCKOB-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000087121897 135107205 /nfs/dbraw/zinc/10/72/05/135107205.db2.gz WQPIEEQABCCKOB-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CCN1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C1=O ZINC000261794387 135112307 /nfs/dbraw/zinc/11/23/07/135112307.db2.gz GKFFENZYRISLAZ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000252895409 135116417 /nfs/dbraw/zinc/11/64/17/135116417.db2.gz YQJODKQTHUTKOX-ZYHUDNBSSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000252895409 135116418 /nfs/dbraw/zinc/11/64/18/135116418.db2.gz YQJODKQTHUTKOX-ZYHUDNBSSA-N 2 1 222.336 0.850 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000257697832 135140052 /nfs/dbraw/zinc/14/00/52/135140052.db2.gz NLFJEJOSPQIOQD-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)CCC2)C[C@H](O)C[NH3+] ZINC000259272482 135142824 /nfs/dbraw/zinc/14/28/24/135142824.db2.gz ZSEBMWJCUCYCQZ-CQSZACIVSA-N 2 1 234.343 0.927 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)CCC2)C[C@@H](O)C[NH3+] ZINC000259272479 135142910 /nfs/dbraw/zinc/14/29/10/135142910.db2.gz ZSEBMWJCUCYCQZ-AWEZNQCLSA-N 2 1 234.343 0.927 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261545766 135150729 /nfs/dbraw/zinc/15/07/29/135150729.db2.gz KJBFMBFCAJKYIX-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP [NH3+]CC[N@H+](CCO)CC1CCCCC1 ZINC000261528585 135154563 /nfs/dbraw/zinc/15/45/63/135154563.db2.gz MKGLMULKQXSTTQ-UHFFFAOYSA-N 2 1 200.326 0.820 20 0 BCADMP [NH3+]CC[N@@H+](CCO)CC1CCCCC1 ZINC000261528585 135154564 /nfs/dbraw/zinc/15/45/64/135154564.db2.gz MKGLMULKQXSTTQ-UHFFFAOYSA-N 2 1 200.326 0.820 20 0 BCADMP C[C@H]1C[N@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000261530915 135159350 /nfs/dbraw/zinc/15/93/50/135159350.db2.gz DMFAPJDNPNZWDV-DTWKUNHWSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000261530915 135159352 /nfs/dbraw/zinc/15/93/52/135159352.db2.gz DMFAPJDNPNZWDV-DTWKUNHWSA-N 2 1 222.279 0.937 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)CC(C)(C)[NH3+] ZINC000261531122 135159594 /nfs/dbraw/zinc/15/95/94/135159594.db2.gz FHBMDILLCFKVCD-UWVGGRQHSA-N 2 1 200.326 0.817 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261532058 135161478 /nfs/dbraw/zinc/16/14/78/135161478.db2.gz IYRAEGPLEMPERM-QJPTWQEYSA-N 2 1 210.321 0.707 20 0 BCADMP OCC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261531870 135161911 /nfs/dbraw/zinc/16/19/11/135161911.db2.gz IDOWZMWRFKOQTN-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261532459 135162779 /nfs/dbraw/zinc/16/27/79/135162779.db2.gz BWVILGDTDLKLMI-QWRGUYRKSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H](CNC(=O)C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000261536303 135171698 /nfs/dbraw/zinc/17/16/98/135171698.db2.gz REQCWXWOZUWGGD-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000261536438 135172210 /nfs/dbraw/zinc/17/22/10/135172210.db2.gz RRZFDEVGTSQRCT-SECBINFHSA-N 2 1 214.309 0.527 20 0 BCADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261538574 135176654 /nfs/dbraw/zinc/17/66/54/135176654.db2.gz YPZASNNSXXQWSF-UWVGGRQHSA-N 2 1 200.326 0.959 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1OC ZINC000261539872 135178666 /nfs/dbraw/zinc/17/86/66/135178666.db2.gz CCDAAYUFQMJVBN-LPWJVIDDSA-N 2 1 242.363 0.720 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000261540806 135180165 /nfs/dbraw/zinc/18/01/65/135180165.db2.gz FGTAJBZQDABAHL-TXEJJXNPSA-N 2 1 210.321 0.564 20 0 BCADMP C[N@@H+](CCOCC(F)F)C1CC[NH2+]CC1 ZINC000261543993 135185643 /nfs/dbraw/zinc/18/56/43/135185643.db2.gz IKKHFYHCMMYXCR-UHFFFAOYSA-N 2 1 222.279 0.952 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000084181752 135190341 /nfs/dbraw/zinc/19/03/41/135190341.db2.gz GMMKDJIHIMBLBX-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CN ZINC000261555499 135195497 /nfs/dbraw/zinc/19/54/97/135195497.db2.gz VBYBWGADLDPPID-QWRGUYRKSA-N 2 1 215.341 0.021 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CN ZINC000261555499 135195498 /nfs/dbraw/zinc/19/54/98/135195498.db2.gz VBYBWGADLDPPID-QWRGUYRKSA-N 3 1 215.341 0.021 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560375 135200938 /nfs/dbraw/zinc/20/09/38/135200938.db2.gz ZULZKWFFQGOQOA-SRVKXCTJSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261560500 135201418 /nfs/dbraw/zinc/20/14/18/135201418.db2.gz URQMMTDSDVPPIW-GWCFXTLKSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261560500 135201420 /nfs/dbraw/zinc/20/14/20/135201420.db2.gz URQMMTDSDVPPIW-GWCFXTLKSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261570065 135211868 /nfs/dbraw/zinc/21/18/68/135211868.db2.gz GOELIICOPAXDHI-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570377 135211902 /nfs/dbraw/zinc/21/19/02/135211902.db2.gz GUIVNZOKQWVKMX-SKDRFNHKSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570377 135211903 /nfs/dbraw/zinc/21/19/03/135211903.db2.gz GUIVNZOKQWVKMX-SKDRFNHKSA-N 2 1 225.336 0.324 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261572005 135214370 /nfs/dbraw/zinc/21/43/70/135214370.db2.gz HYJUGLMDBHIESU-WPRPVWTQSA-N 2 1 208.309 0.887 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227858 135217285 /nfs/dbraw/zinc/21/72/85/135217285.db2.gz QAKWGDWYLJOSCB-ZYHUDNBSSA-N 2 1 237.347 0.149 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])Cc1cnn(C)c1 ZINC000261576872 135218481 /nfs/dbraw/zinc/21/84/81/135218481.db2.gz KQEWRKACYWGNNJ-UHFFFAOYSA-N 2 1 226.324 0.217 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261582308 135223612 /nfs/dbraw/zinc/22/36/12/135223612.db2.gz ODEPKXAVMYKBBS-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261582308 135223613 /nfs/dbraw/zinc/22/36/13/135223613.db2.gz ODEPKXAVMYKBBS-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261584341 135224751 /nfs/dbraw/zinc/22/47/51/135224751.db2.gz PRJJMQSXTCHPBO-VXGBXAGGSA-N 2 1 220.320 0.424 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261584341 135224753 /nfs/dbraw/zinc/22/47/53/135224753.db2.gz PRJJMQSXTCHPBO-VXGBXAGGSA-N 2 1 220.320 0.424 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261586025 135226722 /nfs/dbraw/zinc/22/67/22/135226722.db2.gz QWFHGUHWHGVXBF-NSHDSACASA-N 2 1 223.324 0.481 20 0 BCADMP COC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000261587032 135228394 /nfs/dbraw/zinc/22/83/94/135228394.db2.gz ROIRNQGLVYZCBK-IUCAKERBSA-N 2 1 214.309 0.607 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H]1C ZINC000261587032 135228395 /nfs/dbraw/zinc/22/83/95/135228395.db2.gz ROIRNQGLVYZCBK-IUCAKERBSA-N 2 1 214.309 0.607 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000261592426 135232756 /nfs/dbraw/zinc/23/27/56/135232756.db2.gz VVUKEFOLDOZEJX-VIFPVBQESA-N 2 1 222.279 0.939 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000261592426 135232757 /nfs/dbraw/zinc/23/27/57/135232757.db2.gz VVUKEFOLDOZEJX-VIFPVBQESA-N 2 1 222.279 0.939 20 0 BCADMP C(C1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261593455 135233393 /nfs/dbraw/zinc/23/33/93/135233393.db2.gz WWZZCQROCBYQLC-STQMWFEESA-N 2 1 224.348 0.954 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000261593105 135233470 /nfs/dbraw/zinc/23/34/70/135233470.db2.gz WNGKRXURKQRUQN-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C(C1CCC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261594283 135234421 /nfs/dbraw/zinc/23/44/21/135234421.db2.gz XKYULKBNKMTQNW-CYBMUJFWSA-N 2 1 223.364 0.766 20 0 BCADMP NC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261595262 135235052 /nfs/dbraw/zinc/23/50/52/135235052.db2.gz YACOUELMHGNWLQ-GFCCVEGCSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000261595262 135235053 /nfs/dbraw/zinc/23/50/53/135235053.db2.gz YACOUELMHGNWLQ-GFCCVEGCSA-N 2 1 211.353 0.799 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261594965 135235410 /nfs/dbraw/zinc/23/54/10/135235410.db2.gz XWKAYKPPLMMOSQ-DCAQKATOSA-N 3 1 211.353 0.783 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261594965 135235412 /nfs/dbraw/zinc/23/54/12/135235412.db2.gz XWKAYKPPLMMOSQ-DCAQKATOSA-N 3 1 211.353 0.783 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261685931 135246203 /nfs/dbraw/zinc/24/62/03/135246203.db2.gz AOKWBUVNCZEWKK-SNVBAGLBSA-N 2 1 222.336 0.410 20 0 BCADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCNC1=O ZINC000261729081 135248201 /nfs/dbraw/zinc/24/82/01/135248201.db2.gz KCTNTJCKSALJKJ-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772833 135251306 /nfs/dbraw/zinc/25/13/06/135251306.db2.gz MWNFWAOEOSJXDL-VXGBXAGGSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261830893 135255987 /nfs/dbraw/zinc/25/59/87/135255987.db2.gz NDMSVVJZWIYGER-HBNTYKKESA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](C)[NH3+] ZINC000261898656 135260763 /nfs/dbraw/zinc/26/07/63/135260763.db2.gz UVENNRBTZBHIBE-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261903342 135261734 /nfs/dbraw/zinc/26/17/34/135261734.db2.gz VIGAFRBUFCEZGI-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP OCCO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261922938 135263231 /nfs/dbraw/zinc/26/32/31/135263231.db2.gz KRTKKEMFYUMHQX-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000261926130 135263501 /nfs/dbraw/zinc/26/35/01/135263501.db2.gz YGJFETHYWIAECK-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261924300 135263647 /nfs/dbraw/zinc/26/36/47/135263647.db2.gz ZFJKLGWALHVPIK-JGVFFNPUSA-N 2 1 235.278 0.214 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261937025 135264090 /nfs/dbraw/zinc/26/40/90/135264090.db2.gz MGLZHRCJFYTOHM-NWDGAFQWSA-N 2 1 244.404 0.786 20 0 BCADMP CC(=O)N[C@@H](C)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261953002 135266204 /nfs/dbraw/zinc/26/62/04/135266204.db2.gz OEXVGMKPROMJFU-JTQLQIEISA-N 2 1 241.379 0.960 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](OCCO)C2)CC[NH2+]C1 ZINC000261980320 135268610 /nfs/dbraw/zinc/26/86/10/135268610.db2.gz JCHNLJYVEHMOLC-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@]1(C[N@H+]2CCSC[C@@H]2CCO)CC[NH2+]C1 ZINC000261986606 135269664 /nfs/dbraw/zinc/26/96/64/135269664.db2.gz JTNDUOPDFVIFNV-NWDGAFQWSA-N 2 1 244.404 0.786 20 0 BCADMP COCCO[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262012416 135272331 /nfs/dbraw/zinc/27/23/31/135272331.db2.gz MKDDZVKMQSRBKB-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C(N)=O)C1 ZINC000262018920 135272979 /nfs/dbraw/zinc/27/29/79/135272979.db2.gz VZETWEFNJQODHS-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000262022169 135273760 /nfs/dbraw/zinc/27/37/60/135273760.db2.gz WHOCTODCQMKYLJ-UTUOFQBUSA-N 2 1 212.337 0.546 20 0 BCADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000262067459 135276585 /nfs/dbraw/zinc/27/65/85/135276585.db2.gz RUEPGNWQFCSYSC-UHFFFAOYSA-N 2 1 235.335 0.391 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000262119697 135279656 /nfs/dbraw/zinc/27/96/56/135279656.db2.gz JGAPEMVVGGWZNH-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000262119695 135279839 /nfs/dbraw/zinc/27/98/39/135279839.db2.gz JGAPEMVVGGWZNH-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](CNC(=O)CCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262147563 135282373 /nfs/dbraw/zinc/28/23/73/135282373.db2.gz NBMFEWJSHFTDPK-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CC1CC[NH2+]CC1 ZINC000262177578 135283953 /nfs/dbraw/zinc/28/39/53/135283953.db2.gz IHHWSWONMLGEMC-NEPJUHHUSA-N 2 1 237.347 0.339 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262311393 135292290 /nfs/dbraw/zinc/29/22/90/135292290.db2.gz CWTKGECIGLHXFC-LLVKDONJSA-N 2 1 240.351 0.036 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262321670 135292924 /nfs/dbraw/zinc/29/29/24/135292924.db2.gz FGSYRPWUKLAPDE-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000262425454 135295841 /nfs/dbraw/zinc/29/58/41/135295841.db2.gz SEUSGPBVMMTBFA-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000262375937 135297512 /nfs/dbraw/zinc/29/75/12/135297512.db2.gz MIGYNGXEIVTMSB-SRVKXCTJSA-N 2 1 241.379 0.770 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000262375939 135297542 /nfs/dbraw/zinc/29/75/42/135297542.db2.gz MIGYNGXEIVTMSB-TUAOUCFPSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000262384004 135298612 /nfs/dbraw/zinc/29/86/12/135298612.db2.gz NGBPQSCLAKEBHU-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000342637654 135299085 /nfs/dbraw/zinc/29/90/85/135299085.db2.gz BQOJZUOKZTZBHW-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000262451678 135300386 /nfs/dbraw/zinc/30/03/86/135300386.db2.gz WAGGJXMEOHBUOW-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000342603818 135302188 /nfs/dbraw/zinc/30/21/88/135302188.db2.gz CCWLQVJWPZCZBZ-JTQLQIEISA-N 2 1 222.292 0.141 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000342603818 135302189 /nfs/dbraw/zinc/30/21/89/135302189.db2.gz CCWLQVJWPZCZBZ-JTQLQIEISA-N 2 1 222.292 0.141 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000342710959 135313074 /nfs/dbraw/zinc/31/30/74/135313074.db2.gz PZZUOILWELUKSK-RKDXNWHRSA-N 2 1 249.305 0.298 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722493 135315086 /nfs/dbraw/zinc/31/50/86/135315086.db2.gz TWASYOTXBRKRPT-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342774813 135326999 /nfs/dbraw/zinc/32/69/99/135326999.db2.gz GKEMZZQVCPUREN-IJLUTSLNSA-N 2 1 241.379 0.641 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263221671 135340476 /nfs/dbraw/zinc/34/04/76/135340476.db2.gz LYQGPCPBIBJDIO-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263227959 135341063 /nfs/dbraw/zinc/34/10/63/135341063.db2.gz BGCXGKDJLZAQJE-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474178 135344285 /nfs/dbraw/zinc/34/42/85/135344285.db2.gz PQBYOKNTKILGRZ-MWLCHTKSSA-N 2 1 237.347 0.195 20 0 BCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000334340484 135363503 /nfs/dbraw/zinc/36/35/03/135363503.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000334340484 135363504 /nfs/dbraw/zinc/36/35/04/135363504.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000334340484 135363506 /nfs/dbraw/zinc/36/35/06/135363506.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000334340482 135363856 /nfs/dbraw/zinc/36/38/56/135363856.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000334340482 135363857 /nfs/dbraw/zinc/36/38/57/135363857.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000334340482 135363858 /nfs/dbraw/zinc/36/38/58/135363858.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C ZINC000334358943 135371379 /nfs/dbraw/zinc/37/13/79/135371379.db2.gz UTWIXYQEBOADHH-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C ZINC000334358943 135371380 /nfs/dbraw/zinc/37/13/80/135371380.db2.gz UTWIXYQEBOADHH-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)C[C@@H]1C ZINC000334369062 135372982 /nfs/dbraw/zinc/37/29/82/135372982.db2.gz UBACPMWKBIXWDN-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000334369062 135372983 /nfs/dbraw/zinc/37/29/83/135372983.db2.gz UBACPMWKBIXWDN-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000334369062 135372985 /nfs/dbraw/zinc/37/29/85/135372985.db2.gz UBACPMWKBIXWDN-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000334369062 135372986 /nfs/dbraw/zinc/37/29/86/135372986.db2.gz UBACPMWKBIXWDN-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346845707 135476591 /nfs/dbraw/zinc/47/65/91/135476591.db2.gz KWQRPQRBSMQPIV-WCQGTBRESA-N 2 1 235.335 0.374 20 0 BCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346845707 135476592 /nfs/dbraw/zinc/47/65/92/135476592.db2.gz KWQRPQRBSMQPIV-WCQGTBRESA-N 2 1 235.335 0.374 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164068 135516848 /nfs/dbraw/zinc/51/68/48/135516848.db2.gz GOTHRLBHJGBXLL-YEJSDXFRSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285055 136002186 /nfs/dbraw/zinc/00/21/86/136002186.db2.gz IOVCTQMLLVIIPY-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)N[C@H](C)C[NH3+])CC[N@H+]1C ZINC000335299379 136008160 /nfs/dbraw/zinc/00/81/60/136008160.db2.gz PSTCKMDHBNJSGR-MNOVXSKESA-N 2 1 242.367 0.315 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H](C)[NH+](C)C ZINC000166109087 136057120 /nfs/dbraw/zinc/05/71/20/136057120.db2.gz KFXDQKCVANXEOB-IJLUTSLNSA-N 2 1 229.368 0.293 20 0 BCADMP C[C@H]1C[C@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000348344396 136071626 /nfs/dbraw/zinc/07/16/26/136071626.db2.gz WKRUTQGCZVYABF-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000335376919 136085865 /nfs/dbraw/zinc/08/58/65/136085865.db2.gz DOCWDMGALSNCBK-VHSXEESVSA-N 2 1 240.351 0.082 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000335396949 136093238 /nfs/dbraw/zinc/09/32/38/136093238.db2.gz BPNDORWXPQBAGG-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)C[N@H+]1C1CC1 ZINC000335562880 136106566 /nfs/dbraw/zinc/10/65/66/136106566.db2.gz ZNJYGAMVZVBJCL-VHSXEESVSA-N 2 1 237.347 0.337 20 0 BCADMP C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC000644816747 397968726 /nfs/dbraw/zinc/96/87/26/397968726.db2.gz XLEYTQRXGDOROF-NWDGAFQWSA-N 2 1 248.330 0.436 20 0 BCADMP C[N@@H+](CCO)Cc1ccc(-n2ccnc2)nc1 ZINC000267447013 397948204 /nfs/dbraw/zinc/94/82/04/397948204.db2.gz ZZMDYGPOYDVXRA-UHFFFAOYSA-N 2 1 232.287 0.691 20 0 BCADMP CN(CCO)Cc1ccc(-n2ccnc2)nc1 ZINC000267447013 397948205 /nfs/dbraw/zinc/94/82/05/397948205.db2.gz ZZMDYGPOYDVXRA-UHFFFAOYSA-N 2 1 232.287 0.691 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000062113637 397900030 /nfs/dbraw/zinc/90/00/30/397900030.db2.gz YICSXTPPLUNQRY-WOPDTQHZSA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133199 397903721 /nfs/dbraw/zinc/90/37/21/397903721.db2.gz SOSFHJFTKIUKQD-NXEZZACHSA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)(C)C[N@@H+](CCO)CCN1CC[NH2+]CC1 ZINC000647884396 397924000 /nfs/dbraw/zinc/92/40/00/397924000.db2.gz LMGYVEVUFPOXSM-UHFFFAOYSA-N 2 1 243.395 0.232 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164994424 398001787 /nfs/dbraw/zinc/00/17/87/398001787.db2.gz PYPCRECCRQFSHS-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000644826836 398046373 /nfs/dbraw/zinc/04/63/73/398046373.db2.gz OEZRWWKBPZMESF-SDDRHHMPSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953139 398010058 /nfs/dbraw/zinc/01/00/58/398010058.db2.gz DJZJXIBPBUQKTM-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953098 398010101 /nfs/dbraw/zinc/01/01/01/398010101.db2.gz ANFHBZVGXMIKGG-SCVCMEIPSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953194 398010877 /nfs/dbraw/zinc/01/08/77/398010877.db2.gz HXUDMWLNGLACRR-LLVKDONJSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000336730334 398018746 /nfs/dbraw/zinc/01/87/46/398018746.db2.gz XXMHMURLQNJCIJ-GMXVVIOVSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000336730334 398018748 /nfs/dbraw/zinc/01/87/48/398018748.db2.gz XXMHMURLQNJCIJ-GMXVVIOVSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705228 398021251 /nfs/dbraw/zinc/02/12/51/398021251.db2.gz NSCOJXBHMGSBRK-XQQFMLRXSA-N 2 1 242.363 0.722 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000169810683 398031301 /nfs/dbraw/zinc/03/13/01/398031301.db2.gz MBAVWAMGNJWQLB-NSHDSACASA-N 2 1 225.336 0.245 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000594556858 397975561 /nfs/dbraw/zinc/97/55/61/397975561.db2.gz UDOXTYFQLIFTHF-ADEWGFFLSA-N 2 1 240.347 0.868 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000365049028 397987417 /nfs/dbraw/zinc/98/74/17/397987417.db2.gz RQXWERDHLXSZDF-PWSUYJOCSA-N 2 1 245.342 0.535 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1OC ZINC000234847387 398067559 /nfs/dbraw/zinc/06/75/59/398067559.db2.gz SSYPRMDQOYUCMQ-TUAOUCFPSA-N 2 1 228.336 0.332 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646682928 398082768 /nfs/dbraw/zinc/08/27/68/398082768.db2.gz SUEGEEHMXQMQFQ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCN(C)C1=O)C2 ZINC000116391124 398090173 /nfs/dbraw/zinc/09/01/73/398090173.db2.gz BGRQSJZIQHHKGG-QWRGUYRKSA-N 2 1 248.330 0.327 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(O)CCC1)C1CC1 ZINC000397700934 398058448 /nfs/dbraw/zinc/05/84/48/398058448.db2.gz ITUDQDOMJFBTHJ-GFCCVEGCSA-N 2 1 242.363 0.336 20 0 BCADMP c1c[nH]c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000309608193 398102290 /nfs/dbraw/zinc/10/22/90/398102290.db2.gz LXZYYSUBYZTIKT-MRVPVSSYSA-N 2 1 217.276 0.780 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237626937 398112688 /nfs/dbraw/zinc/11/26/88/398112688.db2.gz AHLIZCMHGWHKRJ-LPEHRKFASA-N 2 1 213.325 0.132 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000309202944 398114121 /nfs/dbraw/zinc/11/41/21/398114121.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000309202944 398114125 /nfs/dbraw/zinc/11/41/25/398114125.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000309202944 398114127 /nfs/dbraw/zinc/11/41/27/398114127.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000309202944 398114134 /nfs/dbraw/zinc/11/41/34/398114134.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP C[N@@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000336691310 398132978 /nfs/dbraw/zinc/13/29/78/398132978.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCCO)CC[C@H]1CCC[N@@H+]1C ZINC000336691310 398132981 /nfs/dbraw/zinc/13/29/81/398132981.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](CCCO)CC[C@H]1CCC[N@H+]1C ZINC000336691310 398132983 /nfs/dbraw/zinc/13/29/83/398132983.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000336711452 398134092 /nfs/dbraw/zinc/13/40/92/398134092.db2.gz RGLQRHNSQVYEPL-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCCNC2=O)C1 ZINC000336711452 398134097 /nfs/dbraw/zinc/13/40/97/398134097.db2.gz RGLQRHNSQVYEPL-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000334141426 167026312 /nfs/dbraw/zinc/02/63/12/167026312.db2.gz GYXQZMFEENGDND-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000334141426 167026313 /nfs/dbraw/zinc/02/63/13/167026313.db2.gz GYXQZMFEENGDND-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000128930640 167044535 /nfs/dbraw/zinc/04/45/35/167044535.db2.gz LVOXDRIPWAIJOE-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392893512 487557708 /nfs/dbraw/zinc/55/77/08/487557708.db2.gz BITJGPDLNGACPC-UHFFFAOYSA-N 2 1 225.336 0.363 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853421 487566700 /nfs/dbraw/zinc/56/67/00/487566700.db2.gz PREPKLZGVZUNMT-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420007 487575558 /nfs/dbraw/zinc/57/55/58/487575558.db2.gz WITQTBJQNKQJJN-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420007 487575561 /nfs/dbraw/zinc/57/55/61/487575561.db2.gz WITQTBJQNKQJJN-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000393762188 487580161 /nfs/dbraw/zinc/58/01/61/487580161.db2.gz OEVVNZOULWSLLP-SRVKXCTJSA-N 2 1 214.353 0.887 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000393762188 487580167 /nfs/dbraw/zinc/58/01/67/487580167.db2.gz OEVVNZOULWSLLP-SRVKXCTJSA-N 2 1 214.353 0.887 20 0 BCADMP C[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000082241800 487580397 /nfs/dbraw/zinc/58/03/97/487580397.db2.gz GQMGFBSQPFHNER-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000082241801 487580687 /nfs/dbraw/zinc/58/06/87/487580687.db2.gz GQMGFBSQPFHNER-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC(C)(C)C[NH3+])C1 ZINC000082244831 487581631 /nfs/dbraw/zinc/58/16/31/487581631.db2.gz HCNBXPJIMPOUOB-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484925 487585440 /nfs/dbraw/zinc/58/54/40/487585440.db2.gz NNHSCHVNIKOZAT-SNVBAGLBSA-N 2 1 213.325 0.052 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000324375472 487587289 /nfs/dbraw/zinc/58/72/89/487587289.db2.gz YDWKAMMKQYIQFI-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000324375472 487587293 /nfs/dbraw/zinc/58/72/93/487587293.db2.gz YDWKAMMKQYIQFI-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP O[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667495519 487594221 /nfs/dbraw/zinc/59/42/21/487594221.db2.gz NBSNHIYKYWXAEN-SNVBAGLBSA-N 2 1 207.277 0.396 20 0 BCADMP O[C@@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000667495519 487594225 /nfs/dbraw/zinc/59/42/25/487594225.db2.gz NBSNHIYKYWXAEN-SNVBAGLBSA-N 2 1 207.277 0.396 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263403 409555981 /nfs/dbraw/zinc/55/59/81/409555981.db2.gz ARNAOUXCCJMYKQ-WOPDTQHZSA-N 3 1 239.363 0.177 20 0 BCADMP CN1CCC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662265739 409560072 /nfs/dbraw/zinc/56/00/72/409560072.db2.gz IBRMMQCGRPXFAO-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662265739 409560078 /nfs/dbraw/zinc/56/00/78/409560078.db2.gz IBRMMQCGRPXFAO-YPMHNXCESA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662263835 409560855 /nfs/dbraw/zinc/56/08/55/409560855.db2.gz OUBKGUCVFQWMBJ-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662264483 409561510 /nfs/dbraw/zinc/56/15/10/409561510.db2.gz DORUCWICSIDDHN-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662264483 409561522 /nfs/dbraw/zinc/56/15/22/409561522.db2.gz DORUCWICSIDDHN-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCCN(C)C1=O ZINC000662266057 409563393 /nfs/dbraw/zinc/56/33/93/409563393.db2.gz WHDRPSMDERZXOK-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662266266 409563554 /nfs/dbraw/zinc/56/35/54/409563554.db2.gz LAFZUYMLVBAFOA-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCCN(C)C1=O ZINC000662266056 409563983 /nfs/dbraw/zinc/56/39/83/409563983.db2.gz WHDRPSMDERZXOK-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662266890 409569395 /nfs/dbraw/zinc/56/93/95/409569395.db2.gz QBOMEPHDPYRKOA-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CNCCO1)C2 ZINC000662286957 409618991 /nfs/dbraw/zinc/61/89/91/409618991.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 2 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CNCCO1)C2 ZINC000662286957 409618995 /nfs/dbraw/zinc/61/89/95/409618995.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 2 1 239.363 0.036 20 0 BCADMP C[C@@H]1CCCC[C@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662285920 409619032 /nfs/dbraw/zinc/61/90/32/409619032.db2.gz MOZZHBDHHHXSOT-AGIUHOORSA-N 2 1 244.379 0.427 20 0 BCADMP C[C@@H]1CCCC[C@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662285920 409619036 /nfs/dbraw/zinc/61/90/36/409619036.db2.gz MOZZHBDHHHXSOT-AGIUHOORSA-N 2 1 244.379 0.427 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294149 409625130 /nfs/dbraw/zinc/62/51/30/409625130.db2.gz PMFLXCUMPPULIA-NSHDSACASA-N 2 1 225.336 0.183 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662318221 409636690 /nfs/dbraw/zinc/63/66/90/409636690.db2.gz XVCQSPAMKIOFDK-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572700 /nfs/dbraw/zinc/57/27/00/409572700.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 2 1 227.352 0.034 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572705 /nfs/dbraw/zinc/57/27/05/409572705.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 2 1 227.352 0.034 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272879 409578486 /nfs/dbraw/zinc/57/84/86/409578486.db2.gz JOEWLSQZEHOJOB-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272879 409578491 /nfs/dbraw/zinc/57/84/91/409578491.db2.gz JOEWLSQZEHOJOB-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)OC ZINC000662273186 409580628 /nfs/dbraw/zinc/58/06/28/409580628.db2.gz MIMXXAMAFWSIRL-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)OC ZINC000662273183 409580885 /nfs/dbraw/zinc/58/08/85/409580885.db2.gz MIMXXAMAFWSIRL-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662395632 409697051 /nfs/dbraw/zinc/69/70/51/409697051.db2.gz IUNDDARZKSZHTI-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662409065 409701078 /nfs/dbraw/zinc/70/10/78/409701078.db2.gz FWAJCEFZEISZJE-SNVBAGLBSA-N 2 1 243.257 0.300 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000662515534 409743202 /nfs/dbraw/zinc/74/32/02/409743202.db2.gz VUFJITSQAUBIQQ-HBNTYKKESA-N 2 1 225.336 0.147 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653112892 409824038 /nfs/dbraw/zinc/82/40/38/409824038.db2.gz MCIRELGOSVUKCV-QMMMGPOBSA-N 2 1 247.289 0.323 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000653112892 409824049 /nfs/dbraw/zinc/82/40/49/409824049.db2.gz MCIRELGOSVUKCV-QMMMGPOBSA-N 2 1 247.289 0.323 20 0 BCADMP CC[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@@H]1[NH3+] ZINC000653134684 409852222 /nfs/dbraw/zinc/85/22/22/409852222.db2.gz HJKCQBVSEBGVCB-IUCAKERBSA-N 2 1 249.305 0.556 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623659 409795278 /nfs/dbraw/zinc/79/52/78/409795278.db2.gz ZOGIWTWRAARMEV-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623644 409795634 /nfs/dbraw/zinc/79/56/34/409795634.db2.gz ZOAARWSOHPGVHG-MNOVXSKESA-N 2 1 241.379 0.959 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110454 409815147 /nfs/dbraw/zinc/81/51/47/409815147.db2.gz JCXDKWQAFURGDC-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000662791905 409921516 /nfs/dbraw/zinc/92/15/16/409921516.db2.gz LASNFIVPWOJOBT-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000662791905 409921520 /nfs/dbraw/zinc/92/15/20/409921520.db2.gz LASNFIVPWOJOBT-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655350327 409921989 /nfs/dbraw/zinc/92/19/89/409921989.db2.gz IDWJYPCEFQANQE-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655350327 409921993 /nfs/dbraw/zinc/92/19/93/409921993.db2.gz IDWJYPCEFQANQE-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662711924 409864791 /nfs/dbraw/zinc/86/47/91/409864791.db2.gz PJMJLQAMSKIAOE-MGCOHNPYSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000662720003 409868537 /nfs/dbraw/zinc/86/85/37/409868537.db2.gz NXJHRDLCKMTRTP-IJLUTSLNSA-N 2 1 237.347 0.324 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)CN(C[C@H](C)O)C1CC1 ZINC000660925707 409974061 /nfs/dbraw/zinc/97/40/61/409974061.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000660925707 409974067 /nfs/dbraw/zinc/97/40/67/409974067.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000660925707 409974070 /nfs/dbraw/zinc/97/40/70/409974070.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835014 409947022 /nfs/dbraw/zinc/94/70/22/409947022.db2.gz KAYXFYLKSYZDIH-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccno1 ZINC000070800534 410017757 /nfs/dbraw/zinc/01/77/57/410017757.db2.gz JUJDQCXDWHIWGO-UHFFFAOYSA-N 2 1 224.308 0.012 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccno1 ZINC000070800534 410017765 /nfs/dbraw/zinc/01/77/65/410017765.db2.gz JUJDQCXDWHIWGO-UHFFFAOYSA-N 2 1 224.308 0.012 20 0 BCADMP COC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000234732291 410083332 /nfs/dbraw/zinc/08/33/32/410083332.db2.gz TZICYMQKDWIJCY-LLVKDONJSA-N 2 1 216.325 0.320 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)C[NH3+] ZINC000653175822 410151629 /nfs/dbraw/zinc/15/16/29/410151629.db2.gz BXTGHTSTXLQWBU-LLVKDONJSA-N 2 1 229.368 0.675 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C1([NH3+])CC1 ZINC000653175806 410151675 /nfs/dbraw/zinc/15/16/75/410151675.db2.gz BOKNYFNUKKMSIU-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000653175785 410152034 /nfs/dbraw/zinc/15/20/34/410152034.db2.gz ADJWPYHVGGILAC-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000309170557 410268737 /nfs/dbraw/zinc/26/87/37/410268737.db2.gz AFUMDKIOMGVQIX-MNOVXSKESA-N 2 1 223.324 0.337 20 0 BCADMP C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000127338287 410330813 /nfs/dbraw/zinc/33/08/13/410330813.db2.gz VGOMHWZWTMPAGJ-SECBINFHSA-N 2 1 234.303 0.488 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000127338287 410330820 /nfs/dbraw/zinc/33/08/20/410330820.db2.gz VGOMHWZWTMPAGJ-SECBINFHSA-N 2 1 234.303 0.488 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714655 410348519 /nfs/dbraw/zinc/34/85/19/410348519.db2.gz WTVMWMWIXYPZMX-NNYUYHANSA-N 2 1 212.337 0.938 20 0 BCADMP Cn1nncc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717476 410353578 /nfs/dbraw/zinc/35/35/78/410353578.db2.gz BVZDOGWHQYPWOJ-UHFFFAOYSA-N 2 1 249.293 0.703 20 0 BCADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000650719667 410357650 /nfs/dbraw/zinc/35/76/50/410357650.db2.gz YQYWMFOPDJQCQN-UHFFFAOYSA-N 2 1 245.330 0.824 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748505 410389892 /nfs/dbraw/zinc/38/98/92/410389892.db2.gz VLNYSNSIZBHPCM-QWRGUYRKSA-N 3 1 211.353 0.703 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000309222514 410459665 /nfs/dbraw/zinc/45/96/65/410459665.db2.gz YOVULUROVXCTKM-JGVFFNPUSA-N 2 1 235.278 0.179 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400394 487617129 /nfs/dbraw/zinc/61/71/29/487617129.db2.gz PLLCKDGOBGVMLV-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCN1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)CC1=O ZINC000652004276 410599783 /nfs/dbraw/zinc/59/97/83/410599783.db2.gz IUDGYTXDQJQZFW-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000655463992 410651336 /nfs/dbraw/zinc/65/13/36/410651336.db2.gz BZLPFMOMDMJIPS-GFCCVEGCSA-N 2 1 243.326 0.289 20 0 BCADMP CO[C@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000393358756 410677848 /nfs/dbraw/zinc/67/78/48/410677848.db2.gz YLOFIPMYDZGMBT-CHWSQXEVSA-N 2 1 238.331 0.626 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000393358756 410677856 /nfs/dbraw/zinc/67/78/56/410677856.db2.gz YLOFIPMYDZGMBT-CHWSQXEVSA-N 2 1 238.331 0.626 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000393747821 410756774 /nfs/dbraw/zinc/75/67/74/410756774.db2.gz OGTUBEIUCJMTIK-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000393747821 410756781 /nfs/dbraw/zinc/75/67/81/410756781.db2.gz OGTUBEIUCJMTIK-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCCO1 ZINC000393883928 410762725 /nfs/dbraw/zinc/76/27/25/410762725.db2.gz RUIZYJYXOQDFPM-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000665298070 410822649 /nfs/dbraw/zinc/82/26/49/410822649.db2.gz RELUJUZFKPUDRV-JQWIXIFHSA-N 2 1 230.352 0.626 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645409 167050973 /nfs/dbraw/zinc/05/09/73/167050973.db2.gz SDNONRDWZXDJLL-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645409 167050977 /nfs/dbraw/zinc/05/09/77/167050977.db2.gz SDNONRDWZXDJLL-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000123354816 167341972 /nfs/dbraw/zinc/34/19/72/167341972.db2.gz QHNQAGVUQHROHU-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310120318 167391801 /nfs/dbraw/zinc/39/18/01/167391801.db2.gz DLSKYBWBKXYZQF-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310120318 167391803 /nfs/dbraw/zinc/39/18/03/167391803.db2.gz DLSKYBWBKXYZQF-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000044802719 167395485 /nfs/dbraw/zinc/39/54/85/167395485.db2.gz RVXNPXUKPQCTBY-GHMZBOCLSA-N 2 1 227.352 0.285 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652015949 410972306 /nfs/dbraw/zinc/97/23/06/410972306.db2.gz PHOXWDKHERGMKC-JTQLQIEISA-N 2 1 204.289 0.391 20 0 BCADMP CC(C)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042308494 410988455 /nfs/dbraw/zinc/98/84/55/410988455.db2.gz DMSIEZLMJPLIIZ-UHFFFAOYSA-N 2 1 213.369 0.870 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652019361 411002430 /nfs/dbraw/zinc/00/24/30/411002430.db2.gz PGGOVCVKNIRAEB-NSHDSACASA-N 2 1 218.316 0.781 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1(C)CC1 ZINC000309475900 410947470 /nfs/dbraw/zinc/94/74/70/410947470.db2.gz BWTWSBMYUHTIRO-UHFFFAOYSA-N 2 1 211.353 0.624 20 0 BCADMP C[NH+](C)CCN1CC[N@H+](CC2(C)CC2)CC1=O ZINC000651891162 411149053 /nfs/dbraw/zinc/14/90/53/411149053.db2.gz KCUWFTFBYNFTBU-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CCN1CC[N@@H+](CC2(C)CC2)CC1=O ZINC000651891162 411149054 /nfs/dbraw/zinc/14/90/54/411149054.db2.gz KCUWFTFBYNFTBU-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000651939390 411155255 /nfs/dbraw/zinc/15/52/55/411155255.db2.gz DRVICHOOIYLWGY-WISYIIOYSA-N 2 1 237.347 0.467 20 0 BCADMP COCC[N@H+](C)C[C@H](O)CN1[C@H](C)C[C@H]1C ZINC000653650438 411156974 /nfs/dbraw/zinc/15/69/74/411156974.db2.gz AKMIJMGEAGZZAL-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659989629 411159000 /nfs/dbraw/zinc/15/90/00/411159000.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659989629 411159005 /nfs/dbraw/zinc/15/90/05/411159005.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000659989629 411159009 /nfs/dbraw/zinc/15/90/09/411159009.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000309544500 411168934 /nfs/dbraw/zinc/16/89/34/411168934.db2.gz ZFVPGBTUTIWAMC-WSMDXJOWSA-N 2 1 210.321 0.584 20 0 BCADMP CN(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401037939 411173593 /nfs/dbraw/zinc/17/35/93/411173593.db2.gz ZPBQFUHQCUZCRS-RWMBFGLXSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)CC[N@@H+]1C ZINC000652304333 411195171 /nfs/dbraw/zinc/19/51/71/411195171.db2.gz KDTDZBHGVIFDJI-MXWKQRLJSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)CC[N@H+]1C ZINC000652304333 411195172 /nfs/dbraw/zinc/19/51/72/411195172.db2.gz KDTDZBHGVIFDJI-MXWKQRLJSA-N 2 1 218.316 0.779 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656192680 411198725 /nfs/dbraw/zinc/19/87/25/411198725.db2.gz SUICMGKFTOFMRM-QCNOEVLYSA-N 3 1 211.353 0.973 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194174 411199408 /nfs/dbraw/zinc/19/94/08/411199408.db2.gz BSFNZJJPSPAKJV-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP Cc1nc(NCCCC[NH3+])c(C)c(C)[nH+]1 ZINC000420227309 411199652 /nfs/dbraw/zinc/19/96/52/411199652.db2.gz BVORLGONWUSIBV-UHFFFAOYSA-N 2 1 208.309 1.553 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000656193167 411199642 /nfs/dbraw/zinc/19/96/42/411199642.db2.gz WJCHGNPZGLXFAL-UTUOFQBUSA-N 3 1 211.353 0.988 20 0 BCADMP CCOCC[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000652337590 411203856 /nfs/dbraw/zinc/20/38/56/411203856.db2.gz XHOWQLCXZAEVQQ-NSHDSACASA-N 2 1 218.341 0.315 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000652341542 411207084 /nfs/dbraw/zinc/20/70/84/411207084.db2.gz XPJFQJPCRPSFIO-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349251 411210892 /nfs/dbraw/zinc/21/08/92/411210892.db2.gz HVDDOKXVRZOAJX-SDDRHHMPSA-N 2 1 227.352 0.163 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349251 411210895 /nfs/dbraw/zinc/21/08/95/411210895.db2.gz HVDDOKXVRZOAJX-SDDRHHMPSA-N 2 1 227.352 0.163 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349712 411211004 /nfs/dbraw/zinc/21/10/04/411211004.db2.gz ZULPCGXIILCUDK-ZDEQEGDKSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349712 411211005 /nfs/dbraw/zinc/21/10/05/411211005.db2.gz ZULPCGXIILCUDK-ZDEQEGDKSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349712 411211008 /nfs/dbraw/zinc/21/10/08/411211008.db2.gz ZULPCGXIILCUDK-ZDEQEGDKSA-N 2 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349712 411211009 /nfs/dbraw/zinc/21/10/09/411211009.db2.gz ZULPCGXIILCUDK-ZDEQEGDKSA-N 2 1 241.379 0.552 20 0 BCADMP C[C@@H](CO)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000652358539 411215001 /nfs/dbraw/zinc/21/50/01/411215001.db2.gz QDBSICUULLNIIR-UWVGGRQHSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355972 411215045 /nfs/dbraw/zinc/21/50/45/411215045.db2.gz OIPUSRZBZGEIRO-NEPJUHHUSA-N 3 1 229.368 0.411 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365199064 411246430 /nfs/dbraw/zinc/24/64/30/411246430.db2.gz FSZGDRMJKMJBNN-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](O)C[N@@H+](CCn1ccnc1)C1CC1 ZINC000653902582 411217037 /nfs/dbraw/zinc/21/70/37/411217037.db2.gz WTRNQKRQDRIPAD-JTQLQIEISA-N 2 1 209.293 0.728 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](O)C1)C1CC1 ZINC000310204097 411220114 /nfs/dbraw/zinc/22/01/14/411220114.db2.gz CKMWVQHPISIJMX-CYZMBNFOSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](O)C1)C1CC1 ZINC000310204097 411220116 /nfs/dbraw/zinc/22/01/16/411220116.db2.gz CKMWVQHPISIJMX-CYZMBNFOSA-N 2 1 242.363 0.192 20 0 BCADMP OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655682211 411223590 /nfs/dbraw/zinc/22/35/90/411223590.db2.gz BHNLUUPONBEVIJ-LBPRGKRZSA-N 2 1 228.336 0.212 20 0 BCADMP COCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683524 411224089 /nfs/dbraw/zinc/22/40/89/411224089.db2.gz GBPFMQBLGHEWAW-ZDUSSCGKSA-N 2 1 242.363 0.866 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655785696 411228298 /nfs/dbraw/zinc/22/82/98/411228298.db2.gz NDUVEUHFGMHDGG-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC(C)(C)O ZINC000310392540 411234360 /nfs/dbraw/zinc/23/43/60/411234360.db2.gz LGTXWDRFBWIWSP-GFCCVEGCSA-N 2 1 246.395 0.780 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC(C)(C)O ZINC000310392540 411234361 /nfs/dbraw/zinc/23/43/61/411234361.db2.gz LGTXWDRFBWIWSP-GFCCVEGCSA-N 2 1 246.395 0.780 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC(C)(C)O ZINC000310392540 411234365 /nfs/dbraw/zinc/23/43/65/411234365.db2.gz LGTXWDRFBWIWSP-GFCCVEGCSA-N 2 1 246.395 0.780 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CCC(C)(C)[NH3+] ZINC000310399846 411234653 /nfs/dbraw/zinc/23/46/53/411234653.db2.gz ISMKSOKYFVDACK-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396729299 411240480 /nfs/dbraw/zinc/24/04/80/411240480.db2.gz CUQVALHMGVSAOU-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CO[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542879 411240605 /nfs/dbraw/zinc/24/06/05/411240605.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000111356271 411166031 /nfs/dbraw/zinc/16/60/31/411166031.db2.gz ZWDAIPKWYFVAEJ-RYUDHWBXSA-N 2 1 234.347 0.688 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CS1 ZINC000655713367 411266438 /nfs/dbraw/zinc/26/64/38/411266438.db2.gz ZPHDXXMNEUIIEC-OUAUKWLOSA-N 2 1 232.393 0.783 20 0 BCADMP C[C@H]([NH3+])Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000656457194 411266772 /nfs/dbraw/zinc/26/67/72/411266772.db2.gz RJZLGEQNPCUFIJ-JTQLQIEISA-N 2 1 223.324 0.611 20 0 BCADMP C[C@H](O)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716311 411271415 /nfs/dbraw/zinc/27/14/15/411271415.db2.gz ROOJJDVWDKJMFJ-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(CCCCC[NH3+])nn1 ZINC000656452455 411274978 /nfs/dbraw/zinc/27/49/78/411274978.db2.gz OWHPMDRURLHOLX-UHFFFAOYSA-N 2 1 248.334 0.960 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401668958 411276681 /nfs/dbraw/zinc/27/66/81/411276681.db2.gz JTMZOZVFVCWMQG-JHJVBQTASA-N 3 1 248.374 0.940 20 0 BCADMP CC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776879 411286232 /nfs/dbraw/zinc/28/62/32/411286232.db2.gz MVZNYEZVSRKDLU-QWHCGFSZSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919201 411286313 /nfs/dbraw/zinc/28/63/13/411286313.db2.gz CAPUMUUZOIIBLW-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC1=[NH+]CCCN1 ZINC000656508622 411288633 /nfs/dbraw/zinc/28/86/33/411288633.db2.gz RPMVYGIQBOBGSJ-UHFFFAOYSA-N 2 1 226.368 0.903 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401780810 411330112 /nfs/dbraw/zinc/33/01/12/411330112.db2.gz WDTRYEQURGJHPZ-SRVKXCTJSA-N 2 1 222.336 0.859 20 0 BCADMP CC(C)[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309416451 411307169 /nfs/dbraw/zinc/30/71/69/411307169.db2.gz KWCDSOTWQQRUAX-NWDGAFQWSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309416451 411307170 /nfs/dbraw/zinc/30/71/70/411307170.db2.gz KWCDSOTWQQRUAX-NWDGAFQWSA-N 2 1 230.352 0.048 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCOC1 ZINC000402695963 411308380 /nfs/dbraw/zinc/30/83/80/411308380.db2.gz NESPZRYNOYZASX-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCOC1 ZINC000402695963 411308382 /nfs/dbraw/zinc/30/83/82/411308382.db2.gz NESPZRYNOYZASX-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H]1CCCOC1 ZINC000402695963 411308385 /nfs/dbraw/zinc/30/83/85/411308385.db2.gz NESPZRYNOYZASX-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000402695963 411308388 /nfs/dbraw/zinc/30/83/88/411308388.db2.gz NESPZRYNOYZASX-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@@H+](CCNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996773 411256702 /nfs/dbraw/zinc/25/67/02/411256702.db2.gz VKFCPLRAPFPETG-ZDUSSCGKSA-N 2 1 241.379 0.127 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000309811240 411257247 /nfs/dbraw/zinc/25/72/47/411257247.db2.gz UFPPNKANYUDUCV-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CC(C)([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440115 411257492 /nfs/dbraw/zinc/25/74/92/411257492.db2.gz AMVPKXSLHIZIOJ-UHFFFAOYSA-N 2 1 203.249 0.856 20 0 BCADMP [NH3+][C@@H](c1cn(-c2cc[nH+]cc2)nn1)[C@@H]1CCCO1 ZINC000656440778 411258818 /nfs/dbraw/zinc/25/88/18/411258818.db2.gz NJRMFKHZVRSSKI-RYUDHWBXSA-N 2 1 245.286 0.841 20 0 BCADMP [NH3+]CCOCc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440549 411259142 /nfs/dbraw/zinc/25/91/42/411259142.db2.gz JURPMHDKDHUIQG-UHFFFAOYSA-N 2 1 219.248 0.138 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792170 411372738 /nfs/dbraw/zinc/37/27/38/411372738.db2.gz OWDUBPXHSPHORS-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000659325549 411353612 /nfs/dbraw/zinc/35/36/12/411353612.db2.gz UUUWFAHKVKYFJB-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217432229 411373254 /nfs/dbraw/zinc/37/32/54/411373254.db2.gz IXIHMSBWESZINM-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787213 411365663 /nfs/dbraw/zinc/36/56/63/411365663.db2.gz HBMWQRGFESRYEX-SNVBAGLBSA-N 2 1 223.324 0.337 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787213 411365665 /nfs/dbraw/zinc/36/56/65/411365665.db2.gz HBMWQRGFESRYEX-SNVBAGLBSA-N 2 1 223.324 0.337 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786837 411366261 /nfs/dbraw/zinc/36/62/61/411366261.db2.gz AZINWEUWBLLRMF-OLZOCXBDSA-N 2 1 249.362 0.600 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000656790758 411370008 /nfs/dbraw/zinc/37/00/08/411370008.db2.gz NXBOXDCGIFCSRM-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000656790758 411370010 /nfs/dbraw/zinc/37/00/10/411370010.db2.gz NXBOXDCGIFCSRM-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@H+](C[C@H]1COCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000656790759 411371131 /nfs/dbraw/zinc/37/11/31/411371131.db2.gz NXBOXDCGIFCSRM-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000656790759 411371132 /nfs/dbraw/zinc/37/11/32/411371132.db2.gz NXBOXDCGIFCSRM-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656790901 411371152 /nfs/dbraw/zinc/37/11/52/411371152.db2.gz CGXWJBMYLJETTH-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968291 411336560 /nfs/dbraw/zinc/33/65/60/411336560.db2.gz XBCWLNMNAVGJLQ-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968291 411336561 /nfs/dbraw/zinc/33/65/61/411336561.db2.gz XBCWLNMNAVGJLQ-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968291 411336565 /nfs/dbraw/zinc/33/65/65/411336565.db2.gz XBCWLNMNAVGJLQ-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968291 411336566 /nfs/dbraw/zinc/33/65/66/411336566.db2.gz XBCWLNMNAVGJLQ-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848476 411340557 /nfs/dbraw/zinc/34/05/57/411340557.db2.gz AAZJYCXFODGAFJ-XQQFMLRXSA-N 2 1 224.348 0.953 20 0 BCADMP FC1(F)C[C@H]1OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849015 411340886 /nfs/dbraw/zinc/34/08/86/411340886.db2.gz DRBNGZDLLOGYKX-KXUCPTDWSA-N 2 1 232.274 0.562 20 0 BCADMP FC1(F)C[C@H]1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849015 411340891 /nfs/dbraw/zinc/34/08/91/411340891.db2.gz DRBNGZDLLOGYKX-KXUCPTDWSA-N 2 1 232.274 0.562 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404299755 411390204 /nfs/dbraw/zinc/39/02/04/411390204.db2.gz FQDBWCQZGCUONP-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000404203796 411383078 /nfs/dbraw/zinc/38/30/78/411383078.db2.gz RLHZSMREOILQLO-LBPRGKRZSA-N 2 1 228.336 0.212 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404424775 411396274 /nfs/dbraw/zinc/39/62/74/411396274.db2.gz KYUFWEWKVBTPIW-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404436058 411396426 /nfs/dbraw/zinc/39/64/26/411396426.db2.gz RKDUCOVTRWDPMU-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404436057 411396528 /nfs/dbraw/zinc/39/65/28/411396528.db2.gz RKDUCOVTRWDPMU-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC1([NH3+])CCCCC1 ZINC000653043641 411401271 /nfs/dbraw/zinc/40/12/71/411401271.db2.gz KSUZCCCXTWZSFY-UHFFFAOYSA-N 2 1 249.305 0.748 20 0 BCADMP CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071218 411402214 /nfs/dbraw/zinc/40/22/14/411402214.db2.gz JCCMCMRCQRWFBL-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071218 411402217 /nfs/dbraw/zinc/40/22/17/411402217.db2.gz JCCMCMRCQRWFBL-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@H]1CCOC1 ZINC000653498199 411413443 /nfs/dbraw/zinc/41/34/43/411413443.db2.gz LJFCYJOQTCOIQX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@H]1CCOC1 ZINC000653498199 411413446 /nfs/dbraw/zinc/41/34/46/411413446.db2.gz LJFCYJOQTCOIQX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@H]1CCOC1 ZINC000653498199 411413449 /nfs/dbraw/zinc/41/34/49/411413449.db2.gz LJFCYJOQTCOIQX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@H]1CCOC1 ZINC000653498199 411413451 /nfs/dbraw/zinc/41/34/51/411413451.db2.gz LJFCYJOQTCOIQX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000654634868 411420984 /nfs/dbraw/zinc/42/09/84/411420984.db2.gz IRYXTGPXMAPLBP-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568043 411423424 /nfs/dbraw/zinc/42/34/24/411423424.db2.gz JDTBFNZPGNFQED-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568043 411423426 /nfs/dbraw/zinc/42/34/26/411423426.db2.gz JDTBFNZPGNFQED-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000653568043 411423428 /nfs/dbraw/zinc/42/34/28/411423428.db2.gz JDTBFNZPGNFQED-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000653568043 411423430 /nfs/dbraw/zinc/42/34/30/411423430.db2.gz JDTBFNZPGNFQED-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000659512905 411425359 /nfs/dbraw/zinc/42/53/59/411425359.db2.gz RTDURDUQLBYBDO-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659540796 411431959 /nfs/dbraw/zinc/43/19/59/411431959.db2.gz XAZYCLOATAIOGT-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000659551551 411434538 /nfs/dbraw/zinc/43/45/38/411434538.db2.gz VFRPCCOGCWUXQE-DCAQKATOSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000654737323 411437958 /nfs/dbraw/zinc/43/79/58/411437958.db2.gz OAFPWVSDTGUINI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000654737323 411437961 /nfs/dbraw/zinc/43/79/61/411437961.db2.gz OAFPWVSDTGUINI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000654737323 411437963 /nfs/dbraw/zinc/43/79/63/411437963.db2.gz OAFPWVSDTGUINI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612974 411439810 /nfs/dbraw/zinc/43/98/10/411439810.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000653612974 411439811 /nfs/dbraw/zinc/43/98/11/411439811.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000653612974 411439812 /nfs/dbraw/zinc/43/98/12/411439812.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611167 411441737 /nfs/dbraw/zinc/44/17/37/411441737.db2.gz QCMYHFBRDUBHSG-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP CCO[C@@H]1C[N@H+]([C@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852820 411443409 /nfs/dbraw/zinc/44/34/09/411443409.db2.gz KFCWZQKPZHNZIR-IJLUTSLNSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000637845511 411445021 /nfs/dbraw/zinc/44/50/21/411445021.db2.gz PUKWZXWSQKLEMN-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)CC(C)C ZINC000653621511 411446399 /nfs/dbraw/zinc/44/63/99/411446399.db2.gz QVRIHNFTYWKMCE-OLZOCXBDSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)CC(C)C ZINC000653621511 411446400 /nfs/dbraw/zinc/44/64/00/411446400.db2.gz QVRIHNFTYWKMCE-OLZOCXBDSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000653621511 411446402 /nfs/dbraw/zinc/44/64/02/411446402.db2.gz QVRIHNFTYWKMCE-OLZOCXBDSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000653621511 411446404 /nfs/dbraw/zinc/44/64/04/411446404.db2.gz QVRIHNFTYWKMCE-OLZOCXBDSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000340115268 411454297 /nfs/dbraw/zinc/45/42/97/411454297.db2.gz CCWGYUMCFCTCFE-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000236825946 169961186 /nfs/dbraw/zinc/96/11/86/169961186.db2.gz INDQVYNDVMPBDX-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccn[nH]2)C1 ZINC000655826516 411529671 /nfs/dbraw/zinc/52/96/71/411529671.db2.gz GUUBWQOSIVZDAJ-JGZJWPJOSA-N 2 1 208.309 0.840 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249753969 170006607 /nfs/dbraw/zinc/00/66/07/170006607.db2.gz SMIVJPVJSJQAJZ-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028816 170007439 /nfs/dbraw/zinc/00/74/39/170007439.db2.gz CJEQMBPTFJRVEQ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767886 170007511 /nfs/dbraw/zinc/00/75/11/170007511.db2.gz XAGZBZZCUOVZJZ-NSHDSACASA-N 2 1 220.320 0.908 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767886 170007513 /nfs/dbraw/zinc/00/75/13/170007513.db2.gz XAGZBZZCUOVZJZ-NSHDSACASA-N 2 1 220.320 0.908 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250245222 170008045 /nfs/dbraw/zinc/00/80/45/170008045.db2.gz HVXCZUZAUXNRSU-QWRGUYRKSA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009896 /nfs/dbraw/zinc/00/98/96/170009896.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009898 /nfs/dbraw/zinc/00/98/98/170009898.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009899 /nfs/dbraw/zinc/00/98/99/170009899.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 3 1 243.395 0.624 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009901 /nfs/dbraw/zinc/00/99/01/170009901.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 1 243.395 0.624 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009902 /nfs/dbraw/zinc/00/99/02/170009902.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 1 243.395 0.624 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CO)[C@H](C)C1 ZINC000151174654 170014067 /nfs/dbraw/zinc/01/40/67/170014067.db2.gz BYPJZLPKGFKBCN-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168017 170015071 /nfs/dbraw/zinc/01/50/71/170015071.db2.gz SMIVJPVJSJQAJZ-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751810 170015501 /nfs/dbraw/zinc/01/55/01/170015501.db2.gz RGGQBBXYVFEMTB-SNVBAGLBSA-N 2 1 227.352 0.429 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CCC[NH2+]C)C1 ZINC000037484154 170015811 /nfs/dbraw/zinc/01/58/11/170015811.db2.gz DCXKTANTGAWGQB-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037643431 170015930 /nfs/dbraw/zinc/01/59/30/170015930.db2.gz IUOBWCFAUKOWBT-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)C[C@H]1C ZINC000357254781 170016157 /nfs/dbraw/zinc/01/61/57/170016157.db2.gz ZIZFDQJRGKEUBT-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000336751571 170017035 /nfs/dbraw/zinc/01/70/35/170017035.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336751571 170017037 /nfs/dbraw/zinc/01/70/37/170017037.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336751571 170017038 /nfs/dbraw/zinc/01/70/38/170017038.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000336751571 170017040 /nfs/dbraw/zinc/01/70/40/170017040.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000336751571 170017042 /nfs/dbraw/zinc/01/70/42/170017042.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335150624 170019583 /nfs/dbraw/zinc/01/95/83/170019583.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335150624 170019584 /nfs/dbraw/zinc/01/95/84/170019584.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335150624 170019585 /nfs/dbraw/zinc/01/95/85/170019585.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000305869951 170020556 /nfs/dbraw/zinc/02/05/56/170020556.db2.gz OADRJXMSXKMKEU-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP CC[N@H+]1C[C@H](N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000336755753 170037578 /nfs/dbraw/zinc/03/75/78/170037578.db2.gz IGSZBRODQJTBLU-SRVKXCTJSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000336755753 170037579 /nfs/dbraw/zinc/03/75/79/170037579.db2.gz IGSZBRODQJTBLU-SRVKXCTJSA-N 2 1 213.369 0.866 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332639666 170040635 /nfs/dbraw/zinc/04/06/35/170040635.db2.gz AMCSLWQRJGQBFH-KXUCPTDWSA-N 2 1 211.309 0.077 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544994 170061673 /nfs/dbraw/zinc/06/16/73/170061673.db2.gz HTQUOXWJHNSQIV-HBNTYKKESA-N 2 1 225.336 0.182 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036794953 170095042 /nfs/dbraw/zinc/09/50/42/170095042.db2.gz BQPWJMTYJROLOE-YEJSDXFRSA-N 2 1 239.363 0.726 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036794953 170095044 /nfs/dbraw/zinc/09/50/44/170095044.db2.gz BQPWJMTYJROLOE-YEJSDXFRSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660333152 411571318 /nfs/dbraw/zinc/57/13/18/411571318.db2.gz GCMMRDWCTFJOLE-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660333152 411571320 /nfs/dbraw/zinc/57/13/20/411571320.db2.gz GCMMRDWCTFJOLE-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660333152 411571322 /nfs/dbraw/zinc/57/13/22/411571322.db2.gz GCMMRDWCTFJOLE-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660333152 411571324 /nfs/dbraw/zinc/57/13/24/411571324.db2.gz GCMMRDWCTFJOLE-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339372651 170355119 /nfs/dbraw/zinc/35/51/19/170355119.db2.gz PTDPBSNJQJIPMU-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339372651 170355121 /nfs/dbraw/zinc/35/51/21/170355121.db2.gz PTDPBSNJQJIPMU-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130171963 411568841 /nfs/dbraw/zinc/56/88/41/411568841.db2.gz ZFWVEROFDCSFEO-NSHDSACASA-N 2 1 248.330 0.364 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657704256 411583860 /nfs/dbraw/zinc/58/38/60/411583860.db2.gz RJVLNNVHNJUTQK-NWDGAFQWSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C)CC1 ZINC000657822995 411607059 /nfs/dbraw/zinc/60/70/59/411607059.db2.gz GDXPXQOAHDALTE-SNVBAGLBSA-N 2 1 223.324 0.350 20 0 BCADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1cncn1)C2 ZINC000660660448 411614273 /nfs/dbraw/zinc/61/42/73/411614273.db2.gz VPRPTLCEJMSWEC-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1cncn1)C2 ZINC000660660448 411614275 /nfs/dbraw/zinc/61/42/75/411614275.db2.gz VPRPTLCEJMSWEC-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1cncn1)C2 ZINC000660660448 411614277 /nfs/dbraw/zinc/61/42/77/411614277.db2.gz VPRPTLCEJMSWEC-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000660660448 411614278 /nfs/dbraw/zinc/61/42/78/411614278.db2.gz VPRPTLCEJMSWEC-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000660682974 411617503 /nfs/dbraw/zinc/61/75/03/411617503.db2.gz XRJLFDYHSLEKCS-LBPRGKRZSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000133322208 411709818 /nfs/dbraw/zinc/70/98/18/411709818.db2.gz VRRODTWGYCOIST-CMPLNLGQSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000133322208 411709821 /nfs/dbraw/zinc/70/98/21/411709821.db2.gz VRRODTWGYCOIST-CMPLNLGQSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497983 411679191 /nfs/dbraw/zinc/67/91/91/411679191.db2.gz LYEPFVPTGXUIKH-UNXYVOJBSA-N 2 1 220.320 0.613 20 0 BCADMP Cn1ncc2c1CCC[N@H+](CC1(C[NH3+])CC1)C2 ZINC000663511862 411693670 /nfs/dbraw/zinc/69/36/70/411693670.db2.gz XEVLYMPRZQKITQ-UHFFFAOYSA-N 2 1 234.347 0.907 20 0 BCADMP Cn1ncc2c1CCC[N@@H+](CC1(C[NH3+])CC1)C2 ZINC000663511862 411693672 /nfs/dbraw/zinc/69/36/72/411693672.db2.gz XEVLYMPRZQKITQ-UHFFFAOYSA-N 2 1 234.347 0.907 20 0 BCADMP Cc1nc(NCC[C@@H](C)[NH3+])c(C)c(C)[nH+]1 ZINC000420155334 411757067 /nfs/dbraw/zinc/75/70/67/411757067.db2.gz KQUKDUQOSOPJNF-SSDOTTSWSA-N 2 1 208.309 1.551 20 0 BCADMP Cc1nc(N[C@H](C)[C@H](C)[NH3+])c(C)c(C)[nH+]1 ZINC000420261074 411758860 /nfs/dbraw/zinc/75/88/60/411758860.db2.gz KFGVHEGCDKWJGM-IONNQARKSA-N 2 1 208.309 1.549 20 0 BCADMP Cc1nc(N[C@@H](C)[C@H](C)[NH3+])c(C)c(C)[nH+]1 ZINC000420261073 411758932 /nfs/dbraw/zinc/75/89/32/411758932.db2.gz KFGVHEGCDKWJGM-CBAPKCEASA-N 2 1 208.309 1.549 20 0 BCADMP Cc1[nH+]ccn1-c1cccc(NCC[NH+](C)C)n1 ZINC000378402037 411787199 /nfs/dbraw/zinc/78/71/99/411787199.db2.gz LFPDKUHDUWHQPX-UHFFFAOYSA-N 2 1 245.330 1.549 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000661613263 411816012 /nfs/dbraw/zinc/81/60/12/411816012.db2.gz XOSYPUFKLFLKSX-GFCCVEGCSA-N 2 1 239.319 0.539 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1COCCO1 ZINC000661613263 411816015 /nfs/dbraw/zinc/81/60/15/411816015.db2.gz XOSYPUFKLFLKSX-GFCCVEGCSA-N 2 1 239.319 0.539 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COCCO1 ZINC000661610081 411816529 /nfs/dbraw/zinc/81/65/29/411816529.db2.gz DLJKLOHHTACTMZ-QWHCGFSZSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COCCO1 ZINC000661610081 411816530 /nfs/dbraw/zinc/81/65/30/411816530.db2.gz DLJKLOHHTACTMZ-QWHCGFSZSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1COCCO1 ZINC000661610081 411816533 /nfs/dbraw/zinc/81/65/33/411816533.db2.gz DLJKLOHHTACTMZ-QWHCGFSZSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1COCCO1 ZINC000661610081 411816537 /nfs/dbraw/zinc/81/65/37/411816537.db2.gz DLJKLOHHTACTMZ-QWHCGFSZSA-N 2 1 242.363 0.818 20 0 BCADMP CC[C@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641069243 411886042 /nfs/dbraw/zinc/88/60/42/411886042.db2.gz ZZXBPEWLGNCVKD-VIFPVBQESA-N 2 1 232.291 0.713 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000132267683 411890685 /nfs/dbraw/zinc/89/06/85/411890685.db2.gz UFEGWUAEBIECPT-RYUDHWBXSA-N 2 1 212.337 0.974 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647485448 411900980 /nfs/dbraw/zinc/90/09/80/411900980.db2.gz ZOYGIBRWUFQEQS-NSHDSACASA-N 2 1 234.347 1.095 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647485448 411900983 /nfs/dbraw/zinc/90/09/83/411900983.db2.gz ZOYGIBRWUFQEQS-NSHDSACASA-N 2 1 234.347 1.095 20 0 BCADMP C[NH+](C)CCc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068278 411909984 /nfs/dbraw/zinc/90/99/84/411909984.db2.gz NDGVBWHPFLMNNR-UHFFFAOYSA-N 2 1 246.318 0.408 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N)s1 ZINC000381645290 411911400 /nfs/dbraw/zinc/91/14/00/411911400.db2.gz BLUGMHPWHPZWJW-SFYZADRCSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N)s1 ZINC000381645290 411911403 /nfs/dbraw/zinc/91/14/03/411911403.db2.gz BLUGMHPWHPZWJW-SFYZADRCSA-N 2 1 226.349 1.037 20 0 BCADMP CCC[C@@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641067788 411912294 /nfs/dbraw/zinc/91/22/94/411912294.db2.gz AHIPVPZEGFGSKP-SNVBAGLBSA-N 2 1 246.318 1.104 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000516291683 411931514 /nfs/dbraw/zinc/93/15/14/411931514.db2.gz YVDOSJHSVLNEEK-GFCCVEGCSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(N)c1 ZINC000565959695 411931986 /nfs/dbraw/zinc/93/19/86/411931986.db2.gz RSOVYTQTVMLEDM-GXSJLCMTSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(N)c1 ZINC000565959695 411931988 /nfs/dbraw/zinc/93/19/88/411931988.db2.gz RSOVYTQTVMLEDM-GXSJLCMTSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@](C[NH3+])([NH2+]Cc1ccnc(N)c1)C1CC1 ZINC000576874919 411932410 /nfs/dbraw/zinc/93/24/10/411932410.db2.gz DHWZFXSQLORVQX-GFCCVEGCSA-N 2 1 220.320 0.881 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N)nc1 ZINC000629664138 411874580 /nfs/dbraw/zinc/87/45/80/411874580.db2.gz JOIDMPXGQNOTOO-UHFFFAOYSA-N 2 1 224.308 0.071 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767800 411878802 /nfs/dbraw/zinc/87/88/02/411878802.db2.gz RINXHIPZLDOBFS-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767800 411878807 /nfs/dbraw/zinc/87/88/07/411878807.db2.gz RINXHIPZLDOBFS-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767800 411878808 /nfs/dbraw/zinc/87/88/08/411878808.db2.gz RINXHIPZLDOBFS-GRYCIOLGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[C@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641067796 411878897 /nfs/dbraw/zinc/87/88/97/411878897.db2.gz BAVWGOQIHPSGGA-LBPRGKRZSA-N 2 1 246.318 0.959 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879031 /nfs/dbraw/zinc/87/90/31/411879031.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879033 /nfs/dbraw/zinc/87/90/33/411879033.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879035 /nfs/dbraw/zinc/87/90/35/411879035.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 2 1 244.379 0.533 20 0 BCADMP Cc1nc(N)nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000631188895 411966477 /nfs/dbraw/zinc/96/64/77/411966477.db2.gz LBEVMNGXKDLEHC-SFYZADRCSA-N 2 1 236.323 0.291 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC2(COC2)C1 ZINC000662075139 411975593 /nfs/dbraw/zinc/97/55/93/411975593.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075139 411975597 /nfs/dbraw/zinc/97/55/97/411975597.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075139 411975598 /nfs/dbraw/zinc/97/55/98/411975598.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 2 1 242.363 0.410 20 0 BCADMP Nc1cc(Cn2cc(CCCC[NH3+])nn2)cc[nH+]1 ZINC000641067784 411977141 /nfs/dbraw/zinc/97/71/41/411977141.db2.gz ABHHALXALITATD-UHFFFAOYSA-N 2 1 246.318 0.585 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153144 412009234 /nfs/dbraw/zinc/00/92/34/412009234.db2.gz OIGQVLOKSKXICT-DGCLKSJQSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153144 412009238 /nfs/dbraw/zinc/00/92/38/412009238.db2.gz OIGQVLOKSKXICT-DGCLKSJQSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153142 412009634 /nfs/dbraw/zinc/00/96/34/412009634.db2.gz OIGQVLOKSKXICT-AAEUAGOBSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153142 412009638 /nfs/dbraw/zinc/00/96/38/412009638.db2.gz OIGQVLOKSKXICT-AAEUAGOBSA-N 2 1 242.363 0.146 20 0 BCADMP OCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157028 412011108 /nfs/dbraw/zinc/01/11/08/412011108.db2.gz NWVFVAVOGMHNPZ-ZDUSSCGKSA-N 2 1 242.363 0.290 20 0 BCADMP OCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157028 412011110 /nfs/dbraw/zinc/01/11/10/412011110.db2.gz NWVFVAVOGMHNPZ-ZDUSSCGKSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCC[NH3+] ZINC000664721032 412013189 /nfs/dbraw/zinc/01/31/89/412013189.db2.gz OMXJQXYKFYVHOV-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH3+] ZINC000664721544 412014772 /nfs/dbraw/zinc/01/47/72/412014772.db2.gz SCDFJOFSYXDNTJ-SECBINFHSA-N 2 1 215.341 0.570 20 0 BCADMP Nc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000424299831 411943936 /nfs/dbraw/zinc/94/39/36/411943936.db2.gz VXZZUYYDZXCNGB-GHMZBOCLSA-N 2 1 220.320 1.023 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000647535592 411954866 /nfs/dbraw/zinc/95/48/66/411954866.db2.gz UWGPWICHYSDPOD-PHIMTYICSA-N 2 1 218.304 0.315 20 0 BCADMP Nc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000647535592 411954871 /nfs/dbraw/zinc/95/48/71/411954871.db2.gz UWGPWICHYSDPOD-PHIMTYICSA-N 2 1 218.304 0.315 20 0 BCADMP Nc1ccc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000647547726 411958429 /nfs/dbraw/zinc/95/84/29/411958429.db2.gz AIULIBOHLFMGOE-UHFFFAOYSA-N 2 1 220.320 0.896 20 0 BCADMP Nc1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000517145823 411963093 /nfs/dbraw/zinc/96/30/93/411963093.db2.gz RXRMQIRMUCHNLA-UHFFFAOYSA-N 2 1 226.349 0.957 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662228606 412031734 /nfs/dbraw/zinc/03/17/34/412031734.db2.gz IVUSMJAJJQRIHI-OLZOCXBDSA-N 2 1 224.348 0.954 20 0 BCADMP CN1CCC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000662241448 412037133 /nfs/dbraw/zinc/03/71/33/412037133.db2.gz STVZIVAHEJTMPB-JTQLQIEISA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662245004 412040660 /nfs/dbraw/zinc/04/06/60/412040660.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662245004 412040663 /nfs/dbraw/zinc/04/06/63/412040663.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 3 1 227.352 0.034 20 0 BCADMP COC[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])OC ZINC000662247773 412044234 /nfs/dbraw/zinc/04/42/34/412044234.db2.gz KKNNMWPPXIYLAS-JTQLQIEISA-N 2 1 218.341 0.565 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000662247624 412044492 /nfs/dbraw/zinc/04/44/92/412044492.db2.gz HGWYJDDSLCRZED-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000662247624 412044495 /nfs/dbraw/zinc/04/44/95/412044495.db2.gz HGWYJDDSLCRZED-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246885 412044772 /nfs/dbraw/zinc/04/47/72/412044772.db2.gz UQZJCZFBXJJTJV-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246885 412044775 /nfs/dbraw/zinc/04/47/75/412044775.db2.gz UQZJCZFBXJJTJV-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@@](C)(CN)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247874 412044950 /nfs/dbraw/zinc/04/49/50/412044950.db2.gz NNGIJSGLGCVFLL-VXGBXAGGSA-N 2 1 241.379 0.470 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249932 412047488 /nfs/dbraw/zinc/04/74/88/412047488.db2.gz VNEOHXBERNPMSO-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP CC[C@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252891 412048557 /nfs/dbraw/zinc/04/85/57/412048557.db2.gz RBCOLDAPXSKGOJ-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCCOCC1 ZINC000662253893 412048830 /nfs/dbraw/zinc/04/88/30/412048830.db2.gz YFCXICILJFQOHB-LLVKDONJSA-N 2 1 226.320 0.230 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254357 412049125 /nfs/dbraw/zinc/04/91/25/412049125.db2.gz HOCGWMVMCKKYEP-MNOVXSKESA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254359 412049679 /nfs/dbraw/zinc/04/96/79/412049679.db2.gz HOCGWMVMCKKYEP-QWRGUYRKSA-N 2 1 228.336 0.210 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257652 412051744 /nfs/dbraw/zinc/05/17/44/412051744.db2.gz FJMRWZHEFJEJKD-NSHDSACASA-N 2 1 242.363 0.864 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258987 412053713 /nfs/dbraw/zinc/05/37/13/412053713.db2.gz ZSGYUXFAIQESNV-QWRGUYRKSA-N 2 1 226.320 0.228 20 0 BCADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000662265250 412056125 /nfs/dbraw/zinc/05/61/25/412056125.db2.gz OMGOQJYDEWGBTA-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000662265250 412056128 /nfs/dbraw/zinc/05/61/28/412056128.db2.gz OMGOQJYDEWGBTA-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000662267000 412057970 /nfs/dbraw/zinc/05/79/70/412057970.db2.gz RLSJTAQGBHCHRA-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000662267001 412058375 /nfs/dbraw/zinc/05/83/75/412058375.db2.gz RLSJTAQGBHCHRA-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662265725 412058502 /nfs/dbraw/zinc/05/85/02/412058502.db2.gz IBRMMQCGRPXFAO-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662265725 412058503 /nfs/dbraw/zinc/05/85/03/412058503.db2.gz IBRMMQCGRPXFAO-AAEUAGOBSA-N 2 1 237.347 0.293 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662266209 412058639 /nfs/dbraw/zinc/05/86/39/412058639.db2.gz KTJOIZCRQJNIHJ-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP CCN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662266209 412058643 /nfs/dbraw/zinc/05/86/43/412058643.db2.gz KTJOIZCRQJNIHJ-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CNCCO3)C[C@@H]21 ZINC000662267518 412061015 /nfs/dbraw/zinc/06/10/15/412061015.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 2 1 239.363 0.034 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267518 412061016 /nfs/dbraw/zinc/06/10/16/412061016.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 2 1 239.363 0.034 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336752206 171059421 /nfs/dbraw/zinc/05/94/21/171059421.db2.gz FYTSEIXVYODOIM-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336752206 171059424 /nfs/dbraw/zinc/05/94/24/171059424.db2.gz FYTSEIXVYODOIM-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP CN1CCC[C@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662272134 412062115 /nfs/dbraw/zinc/06/21/15/412062115.db2.gz KMQNRGCOBHJNSB-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000370768138 171098897 /nfs/dbraw/zinc/09/88/97/171098897.db2.gz YMPWUUVPALFSLM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)OC ZINC000662273735 412065506 /nfs/dbraw/zinc/06/55/06/412065506.db2.gz ZIFGJYIDTBNCDU-RYUDHWBXSA-N 2 1 230.352 0.709 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273106 412066067 /nfs/dbraw/zinc/06/60/67/412066067.db2.gz SYSBDKGJUSAGNU-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000353462409 171146155 /nfs/dbraw/zinc/14/61/55/171146155.db2.gz SIVMHVNTLDCSLO-YUMQZZPRSA-N 2 1 235.278 0.085 20 0 BCADMP C[N@@H+](CCCC1CCC1)C[C@@H](O)C[NH3+] ZINC000662277779 412070051 /nfs/dbraw/zinc/07/00/51/412070051.db2.gz RWCUONHFQRXSHX-NSHDSACASA-N 2 1 200.326 0.818 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278299 412070699 /nfs/dbraw/zinc/07/06/99/412070699.db2.gz FCTQOXYQGAFPPP-GHMZBOCLSA-N 2 1 226.320 0.228 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278299 412070702 /nfs/dbraw/zinc/07/07/02/412070702.db2.gz FCTQOXYQGAFPPP-GHMZBOCLSA-N 2 1 226.320 0.228 20 0 BCADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000662278649 412071000 /nfs/dbraw/zinc/07/10/00/412071000.db2.gz ZYUKLVUNZWOBAI-BDAKNGLRSA-N 2 1 224.295 0.919 20 0 BCADMP CC[C@H](C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1)[NH+](C)C ZINC000358709973 171225087 /nfs/dbraw/zinc/22/50/87/171225087.db2.gz AZGHITOUICTBLW-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000352777695 171225848 /nfs/dbraw/zinc/22/58/48/171225848.db2.gz CJIBLTLEKYNYSN-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000352777695 171225850 /nfs/dbraw/zinc/22/58/50/171225850.db2.gz CJIBLTLEKYNYSN-GRYCIOLGSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283294 412074504 /nfs/dbraw/zinc/07/45/04/412074504.db2.gz HCJVMMTZUNCUHU-WOPDTQHZSA-N 3 1 239.363 0.319 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283294 412074506 /nfs/dbraw/zinc/07/45/06/412074506.db2.gz HCJVMMTZUNCUHU-WOPDTQHZSA-N 2 1 239.363 0.319 20 0 BCADMP OCC1([NH2+]CCC2CC[NH2+]CC2)CCNCC1 ZINC000662285984 412076475 /nfs/dbraw/zinc/07/64/75/412076475.db2.gz DPAMQVJJOPBJNW-UHFFFAOYSA-N 2 1 241.379 0.080 20 0 BCADMP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)[NH3+] ZINC000662294798 412083696 /nfs/dbraw/zinc/08/36/96/412083696.db2.gz NQAHFHBHRQDNIU-TXEJJXNPSA-N 2 1 241.379 0.519 20 0 BCADMP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)[NH3+] ZINC000662294798 412083698 /nfs/dbraw/zinc/08/36/98/412083698.db2.gz NQAHFHBHRQDNIU-TXEJJXNPSA-N 2 1 241.379 0.519 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000249546742 171306044 /nfs/dbraw/zinc/30/60/44/171306044.db2.gz GKQTXFNTEYJZOW-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000339806892 171306095 /nfs/dbraw/zinc/30/60/95/171306095.db2.gz RRKMDILQQFZKEN-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000339806892 171306096 /nfs/dbraw/zinc/30/60/96/171306096.db2.gz RRKMDILQQFZKEN-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248969665 171307066 /nfs/dbraw/zinc/30/70/66/171307066.db2.gz DAWQYIOGZSYFEG-AXFHLTTASA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@H](O)CN(C)C1CC1 ZINC000336732893 171314642 /nfs/dbraw/zinc/31/46/42/171314642.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336732893 171314644 /nfs/dbraw/zinc/31/46/44/171314644.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336732893 171314647 /nfs/dbraw/zinc/31/46/47/171314647.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221159835 171317865 /nfs/dbraw/zinc/31/78/65/171317865.db2.gz NWMNPVYXQURMMZ-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122363029 171326712 /nfs/dbraw/zinc/32/67/12/171326712.db2.gz QIXFURBKYNCOHF-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122363029 171326714 /nfs/dbraw/zinc/32/67/14/171326714.db2.gz QIXFURBKYNCOHF-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CNCCO1)C2 ZINC000662286956 412080429 /nfs/dbraw/zinc/08/04/29/412080429.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 2 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CNCCO1)C2 ZINC000662286956 412080430 /nfs/dbraw/zinc/08/04/30/412080430.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 2 1 239.363 0.036 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484905 171371455 /nfs/dbraw/zinc/37/14/55/171371455.db2.gz SFONRDQYIAQCBS-GARJFASQSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122733724 171395003 /nfs/dbraw/zinc/39/50/03/171395003.db2.gz SRNWKKZHIHTUGT-QCNOEVLYSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122733900 171397098 /nfs/dbraw/zinc/39/70/98/171397098.db2.gz SRNWKKZHIHTUGT-USZNOCQGSA-N 2 1 241.379 0.959 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000662387169 412140439 /nfs/dbraw/zinc/14/04/39/412140439.db2.gz ITWWLEWYZVRGFT-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP COCC1([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000662299174 412087236 /nfs/dbraw/zinc/08/72/36/412087236.db2.gz URUGQAVJXRMDPH-UHFFFAOYSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CC2CC1(C[NH3+])C2 ZINC000662304801 412090710 /nfs/dbraw/zinc/09/07/10/412090710.db2.gz BUGGFUHYJXSQBP-PNESKVBLSA-N 2 1 239.363 0.130 20 0 BCADMP C[N@H+](CC1=CCCOC1)C[C@H]1CC[NH2+]C1 ZINC000662305615 412091564 /nfs/dbraw/zinc/09/15/64/412091564.db2.gz LBZNSAYBOLKHMR-NSHDSACASA-N 2 1 210.321 0.874 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307729 412092813 /nfs/dbraw/zinc/09/28/13/412092813.db2.gz YJXANWIVQABUJX-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312203 412093909 /nfs/dbraw/zinc/09/39/09/412093909.db2.gz XMPJXTAEXQJKFU-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[NH3+])cn1 ZINC000662309761 412094154 /nfs/dbraw/zinc/09/41/54/412094154.db2.gz DALAAZMCPVBFPT-RYUDHWBXSA-N 2 1 222.336 0.680 20 0 BCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCO)CCO1 ZINC000662324089 412103055 /nfs/dbraw/zinc/10/30/55/412103055.db2.gz UONPZHONEQVZGR-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361981272 412131881 /nfs/dbraw/zinc/13/18/81/412131881.db2.gz NSVGBIZGKKKGFF-NEPJUHHUSA-N 2 1 249.362 0.818 20 0 BCADMP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000662438079 412175072 /nfs/dbraw/zinc/17/50/72/412175072.db2.gz XYCWSTBAJXENGO-NSHDSACASA-N 2 1 245.367 0.195 20 0 BCADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000665236417 412177350 /nfs/dbraw/zinc/17/73/50/412177350.db2.gz MBGGKNZFLIYUMS-NWDGAFQWSA-N 2 1 228.336 0.380 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450910 412179421 /nfs/dbraw/zinc/17/94/21/412179421.db2.gz FLZWTPUXXBEIAS-NEPJUHHUSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662458164 412181494 /nfs/dbraw/zinc/18/14/94/412181494.db2.gz XUIUVFZRNRUXIH-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP C1C[C@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000665242917 412187608 /nfs/dbraw/zinc/18/76/08/412187608.db2.gz OMHPFRBJLVWDAJ-SRVKXCTJSA-N 2 1 209.337 0.565 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662476188 412188235 /nfs/dbraw/zinc/18/82/35/412188235.db2.gz RILFEGRFEDBECX-VWYCJHECSA-N 2 1 227.352 0.583 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCCOC ZINC000662477286 412189450 /nfs/dbraw/zinc/18/94/50/412189450.db2.gz XPJXVBUGVWBDNI-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000662483225 412190511 /nfs/dbraw/zinc/19/05/11/412190511.db2.gz SSHHFOJVJKUOAI-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662485609 412191428 /nfs/dbraw/zinc/19/14/28/412191428.db2.gz HIFVYPOHNNELGY-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP Cc1nc2ccc(NC(=O)C3(O)C[NH2+]C3)cc2[nH]1 ZINC000662492007 412194245 /nfs/dbraw/zinc/19/42/45/412194245.db2.gz CTTSLMQKCKBORN-UHFFFAOYSA-N 2 1 246.270 0.144 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662497428 412195371 /nfs/dbraw/zinc/19/53/71/412195371.db2.gz IESDRMMPOMUNOJ-ATZCPNFKSA-N 2 1 225.336 0.193 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000662526200 412205231 /nfs/dbraw/zinc/20/52/31/412205231.db2.gz VBJXAFRSTIAQKK-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]([NH3+])CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000643035760 412215455 /nfs/dbraw/zinc/21/54/55/412215455.db2.gz ZGQKXMJNGYCEEQ-JTQLQIEISA-N 2 1 235.335 1.226 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662539665 412208586 /nfs/dbraw/zinc/20/85/86/412208586.db2.gz HBKWPWNDDNTXHU-GUBZILKMSA-N 2 1 225.336 0.336 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000662545084 412211365 /nfs/dbraw/zinc/21/13/65/412211365.db2.gz BKNKOINJMCYZND-NSHDSACASA-N 2 1 225.336 0.363 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000662545084 412211368 /nfs/dbraw/zinc/21/13/68/412211368.db2.gz BKNKOINJMCYZND-NSHDSACASA-N 2 1 225.336 0.363 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000662398897 412147209 /nfs/dbraw/zinc/14/72/09/412147209.db2.gz KSEIFDVNAUBBKL-VHSXEESVSA-N 2 1 213.325 0.052 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000662398898 412147537 /nfs/dbraw/zinc/14/75/37/412147537.db2.gz KSEIFDVNAUBBKL-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277654 412215792 /nfs/dbraw/zinc/21/57/92/412215792.db2.gz HNDOBKNJDGTHRN-VOBJUBJWSA-N 2 1 209.337 0.278 20 0 BCADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234827 412173765 /nfs/dbraw/zinc/17/37/65/412173765.db2.gz KOASPBMROSAGHJ-QNWHQSFQSA-N 2 1 242.363 0.768 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662678859 412268197 /nfs/dbraw/zinc/26/81/97/412268197.db2.gz IZNSAYBDPWLFCE-XYPYZODXSA-N 2 1 236.319 0.435 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000662682318 412269248 /nfs/dbraw/zinc/26/92/48/412269248.db2.gz RGKPKEUNBGBSTD-DCAQKATOSA-N 2 1 237.347 0.324 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662693089 412273686 /nfs/dbraw/zinc/27/36/86/412273686.db2.gz ONHCINOXUSGXGS-SRVKXCTJSA-N 2 1 239.363 0.570 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662699898 412275364 /nfs/dbraw/zinc/27/53/64/412275364.db2.gz FHGWWWVLFINDGK-MGCOHNPYSA-N 2 1 222.292 0.045 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703509 412276581 /nfs/dbraw/zinc/27/65/81/412276581.db2.gz LBJZXNIAHCRHFX-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277762 412221362 /nfs/dbraw/zinc/22/13/62/412221362.db2.gz KVEANKJZDYRMEA-QCXCNERSSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593563 412233320 /nfs/dbraw/zinc/23/33/20/412233320.db2.gz PHUOUVXHQFNHRB-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619171 412244403 /nfs/dbraw/zinc/24/44/03/412244403.db2.gz JEFUGNBSWIVMGN-UWVGGRQHSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H]([NH2+]CCOCCF)[C@@H]1CCC[NH2+]1 ZINC000665298894 412247598 /nfs/dbraw/zinc/24/75/98/412247598.db2.gz BVJJGXTXPLTLEX-UWVGGRQHSA-N 2 1 204.289 0.703 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000662793372 412305156 /nfs/dbraw/zinc/30/51/56/412305156.db2.gz GMOJYOJMZMHECN-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662838155 412316452 /nfs/dbraw/zinc/31/64/52/412316452.db2.gz MCIPNLXRLHLLKV-VXGBXAGGSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662838152 412316646 /nfs/dbraw/zinc/31/66/46/412316646.db2.gz MCIPNLXRLHLLKV-RYUDHWBXSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836785 412316847 /nfs/dbraw/zinc/31/68/47/412316847.db2.gz DIAVDCPMSHNMSX-ZJUUUORDSA-N 2 1 211.309 0.078 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000662911472 412343976 /nfs/dbraw/zinc/34/39/76/412343976.db2.gz UEECCSUXHLTYNJ-KXNHARMFSA-N 2 1 237.347 0.337 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C ZINC000662965729 412357967 /nfs/dbraw/zinc/35/79/67/412357967.db2.gz MRJBZXPBZJYLLZ-SECBINFHSA-N 2 1 201.314 0.052 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000662746804 412289815 /nfs/dbraw/zinc/28/98/15/412289815.db2.gz RSCMTRZIJKAIEY-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000662746227 412290118 /nfs/dbraw/zinc/29/01/18/412290118.db2.gz SBTFOVBRLNDWKA-GHMZBOCLSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000662793370 412304925 /nfs/dbraw/zinc/30/49/25/412304925.db2.gz GMOJYOJMZMHECN-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011298 412370308 /nfs/dbraw/zinc/37/03/08/412370308.db2.gz OUNGGUOSWCVGEF-NSHDSACASA-N 2 1 213.325 0.196 20 0 BCADMP Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000663276036 412405490 /nfs/dbraw/zinc/40/54/90/412405490.db2.gz JHFSPVWUZZLMHI-NXEZZACHSA-N 2 1 224.283 0.969 20 0 BCADMP CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000050541315 172163938 /nfs/dbraw/zinc/16/39/38/172163938.db2.gz FXEWWOVLNVGDEZ-JTQLQIEISA-N 2 1 208.309 0.684 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000050541315 172163940 /nfs/dbraw/zinc/16/39/40/172163940.db2.gz FXEWWOVLNVGDEZ-JTQLQIEISA-N 2 1 208.309 0.684 20 0 BCADMP CCn1nccc1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358154618 172270086 /nfs/dbraw/zinc/27/00/86/172270086.db2.gz DTGJUOOHTXQPHQ-LBPRGKRZSA-N 2 1 238.335 0.059 20 0 BCADMP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000049305744 172308544 /nfs/dbraw/zinc/30/85/44/172308544.db2.gz VIIUUFJYRJCPSL-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000049305744 172308548 /nfs/dbraw/zinc/30/85/48/172308548.db2.gz VIIUUFJYRJCPSL-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309317055 172357500 /nfs/dbraw/zinc/35/75/00/172357500.db2.gz ZCXKHYRKULAYEH-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309317055 172357503 /nfs/dbraw/zinc/35/75/03/172357503.db2.gz ZCXKHYRKULAYEH-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304633460 172358973 /nfs/dbraw/zinc/35/89/73/172358973.db2.gz VVHBGAHWODAVBM-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CN(C)C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037751803 172359942 /nfs/dbraw/zinc/35/99/42/172359942.db2.gz QSXHPBUHQFYNSZ-YOGCLGLASA-N 2 1 239.363 0.680 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309435400 172363434 /nfs/dbraw/zinc/36/34/34/172363434.db2.gz KFCLSFFZXIKHPO-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086425 173011958 /nfs/dbraw/zinc/01/19/58/173011958.db2.gz USUVLJMZWRZAEG-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134474968 173012539 /nfs/dbraw/zinc/01/25/39/173012539.db2.gz NRYGGEVPJODWTJ-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040673627 173020499 /nfs/dbraw/zinc/02/04/99/173020499.db2.gz WIYWQBUDWVLFPJ-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442809 173027872 /nfs/dbraw/zinc/02/78/72/173027872.db2.gz SBDTZXGZHJUFBS-NDBYEHHHSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442809 173027877 /nfs/dbraw/zinc/02/78/77/173027877.db2.gz SBDTZXGZHJUFBS-NDBYEHHHSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442809 173027878 /nfs/dbraw/zinc/02/78/78/173027878.db2.gz SBDTZXGZHJUFBS-NDBYEHHHSA-N 2 1 224.348 0.641 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755443 173029953 /nfs/dbraw/zinc/02/99/53/173029953.db2.gz AQDFJSTWGBRMMW-GHMZBOCLSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000370683736 173035426 /nfs/dbraw/zinc/03/54/26/173035426.db2.gz ZOTVMXPCXFUDAV-CHWSQXEVSA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000370683736 173035427 /nfs/dbraw/zinc/03/54/27/173035427.db2.gz ZOTVMXPCXFUDAV-CHWSQXEVSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cncn3)CC[C@H]21 ZINC000370683736 173035429 /nfs/dbraw/zinc/03/54/29/173035429.db2.gz ZOTVMXPCXFUDAV-CHWSQXEVSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cncn3)CC[C@H]21 ZINC000370683736 173035431 /nfs/dbraw/zinc/03/54/31/173035431.db2.gz ZOTVMXPCXFUDAV-CHWSQXEVSA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@@H]3O)CC[C@@H]21 ZINC000310212400 173036198 /nfs/dbraw/zinc/03/61/98/173036198.db2.gz HCJCTDSGZZUSMI-XQHKEYJVSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3COC[C@@H]3O)CC[C@@H]21 ZINC000310212400 173036201 /nfs/dbraw/zinc/03/62/01/173036201.db2.gz HCJCTDSGZZUSMI-XQHKEYJVSA-N 2 1 240.347 0.162 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3COC[C@@H]3O)CC[C@@H]21 ZINC000310212400 173036202 /nfs/dbraw/zinc/03/62/02/173036202.db2.gz HCJCTDSGZZUSMI-XQHKEYJVSA-N 2 1 240.347 0.162 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)C1CC1 ZINC000305115250 173049445 /nfs/dbraw/zinc/04/94/45/173049445.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)C1CC1 ZINC000305115250 173049447 /nfs/dbraw/zinc/04/94/47/173049447.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)C1CC1 ZINC000305115250 173049451 /nfs/dbraw/zinc/04/94/51/173049451.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000305621776 173053977 /nfs/dbraw/zinc/05/39/77/173053977.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CO)C1 ZINC000305621776 173053979 /nfs/dbraw/zinc/05/39/79/173053979.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CO)C1 ZINC000305621776 173053984 /nfs/dbraw/zinc/05/39/84/173053984.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054552 /nfs/dbraw/zinc/05/45/52/173054552.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054553 /nfs/dbraw/zinc/05/45/53/173054553.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054554 /nfs/dbraw/zinc/05/45/54/173054554.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284252 173057304 /nfs/dbraw/zinc/05/73/04/173057304.db2.gz AAMSQRCWCWTIRO-ZDUSSCGKSA-N 2 1 247.342 0.969 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061610560 173068494 /nfs/dbraw/zinc/06/84/94/173068494.db2.gz BFJZIMOBPIOKEM-ZDUSSCGKSA-N 2 1 247.342 0.503 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000336358744 173111006 /nfs/dbraw/zinc/11/10/06/173111006.db2.gz JIBZJBNGOMPNRF-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000336358744 173111008 /nfs/dbraw/zinc/11/10/08/173111008.db2.gz JIBZJBNGOMPNRF-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000336632471 173114505 /nfs/dbraw/zinc/11/45/05/173114505.db2.gz CAWUWUIGPHGTIR-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000336632471 173114506 /nfs/dbraw/zinc/11/45/06/173114506.db2.gz CAWUWUIGPHGTIR-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000336632471 173114507 /nfs/dbraw/zinc/11/45/07/173114507.db2.gz CAWUWUIGPHGTIR-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037647111 173115461 /nfs/dbraw/zinc/11/54/61/173115461.db2.gz QCJWPXVHLIGUBM-WCQYABFASA-N 2 1 247.342 0.754 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134505156 173116214 /nfs/dbraw/zinc/11/62/14/173116214.db2.gz BCIHCFKUGXWGME-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062855958 173116461 /nfs/dbraw/zinc/11/64/61/173116461.db2.gz GLLMLBMRASTLMW-AAEUAGOBSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308932560 173139801 /nfs/dbraw/zinc/13/98/01/173139801.db2.gz JXFIIESVSAOLKL-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308932560 173139803 /nfs/dbraw/zinc/13/98/03/173139803.db2.gz JXFIIESVSAOLKL-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOCC2)C1 ZINC000309465810 173139853 /nfs/dbraw/zinc/13/98/53/173139853.db2.gz PGBJLZIQNSGIPF-VXGBXAGGSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOCC2)C1 ZINC000309465810 173139856 /nfs/dbraw/zinc/13/98/56/173139856.db2.gz PGBJLZIQNSGIPF-VXGBXAGGSA-N 2 1 228.336 0.212 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336450901 173140002 /nfs/dbraw/zinc/14/00/02/173140002.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336450901 173140005 /nfs/dbraw/zinc/14/00/05/173140005.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336450901 173140008 /nfs/dbraw/zinc/14/00/08/173140008.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000037647104 173145387 /nfs/dbraw/zinc/14/53/87/173145387.db2.gz ICLFUDYCUXWCEB-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250555747 173145747 /nfs/dbraw/zinc/14/57/47/173145747.db2.gz BCIHCFKUGXWGME-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP CN1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000266707266 173149831 /nfs/dbraw/zinc/14/98/31/173149831.db2.gz DXULNKBPQKONTI-NSHDSACASA-N 2 1 248.330 0.820 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367897782 173153851 /nfs/dbraw/zinc/15/38/51/173153851.db2.gz CAAJFTOGWWDGDE-FRRDWIJNSA-N 2 1 249.362 0.778 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367897782 173153855 /nfs/dbraw/zinc/15/38/55/173153855.db2.gz CAAJFTOGWWDGDE-FRRDWIJNSA-N 2 1 249.362 0.778 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000358175331 173165933 /nfs/dbraw/zinc/16/59/33/173165933.db2.gz VISQZACNYVJRIW-ZDUSSCGKSA-N 2 1 238.306 0.982 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000358175331 173165934 /nfs/dbraw/zinc/16/59/34/173165934.db2.gz VISQZACNYVJRIW-ZDUSSCGKSA-N 2 1 238.306 0.982 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336769439 173283201 /nfs/dbraw/zinc/28/32/01/173283201.db2.gz RYNAGCGCBDTBSL-AXFHLTTASA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336769439 173283202 /nfs/dbraw/zinc/28/32/02/173283202.db2.gz RYNAGCGCBDTBSL-AXFHLTTASA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438241 173297855 /nfs/dbraw/zinc/29/78/55/173297855.db2.gz JECWZALUGMHDSD-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250397375 173299140 /nfs/dbraw/zinc/29/91/40/173299140.db2.gz RIORFFPCVVBEKT-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371263363 173326804 /nfs/dbraw/zinc/32/68/04/173326804.db2.gz XWAGAMMZCPNGCH-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000037765519 173334876 /nfs/dbraw/zinc/33/48/76/173334876.db2.gz VUIOAYCNQDUOHK-UHFFFAOYSA-N 2 1 245.286 0.734 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2nccn2C)CC1 ZINC000063165744 173338617 /nfs/dbraw/zinc/33/86/17/173338617.db2.gz NYBKIZHRFKOEDD-UHFFFAOYSA-N 2 1 222.336 0.852 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357252279 173339610 /nfs/dbraw/zinc/33/96/10/173339610.db2.gz WBPCZIIDKVMUPN-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000094447132 173339744 /nfs/dbraw/zinc/33/97/44/173339744.db2.gz JMJFHXRVRXOZCI-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000357235583 173340445 /nfs/dbraw/zinc/34/04/45/173340445.db2.gz DFQXHXYKTPMTIU-LBPRGKRZSA-N 2 1 241.379 0.690 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250750938 173341194 /nfs/dbraw/zinc/34/11/94/173341194.db2.gz OZLZMOJIMVOWRD-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368561503 173343859 /nfs/dbraw/zinc/34/38/59/173343859.db2.gz LYXMUZXJARYECD-MRVPVSSYSA-N 2 1 235.278 0.052 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484928 173344640 /nfs/dbraw/zinc/34/46/40/173344640.db2.gz ODMGFKKHXYDILT-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000237217397 173345504 /nfs/dbraw/zinc/34/55/04/173345504.db2.gz IQJZOSRFTMQQPE-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000309630737 173346804 /nfs/dbraw/zinc/34/68/04/173346804.db2.gz KHGOXBUTAAELQS-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[NH2+]CCC[NH+](CCOC)CCOC ZINC000042442914 173347484 /nfs/dbraw/zinc/34/74/84/173347484.db2.gz UCLLSLCTGLRTEO-UHFFFAOYSA-N 2 1 204.314 0.191 20 0 BCADMP C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000377126195 173348976 /nfs/dbraw/zinc/34/89/76/173348976.db2.gz JDARYMWKNDEDBH-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000372433859 173351972 /nfs/dbraw/zinc/35/19/72/173351972.db2.gz QRFZFKOOUZQTKK-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295156095 173362623 /nfs/dbraw/zinc/36/26/23/173362623.db2.gz KCFMIUIKUHMKQC-LLVKDONJSA-N 2 1 247.342 0.978 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCCCn1cc[nH+]c1C ZINC000269235819 173362912 /nfs/dbraw/zinc/36/29/12/173362912.db2.gz MCLXOSLFRDBMMM-SNVBAGLBSA-N 2 1 238.335 0.553 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCCOC)C1 ZINC000053033881 173370605 /nfs/dbraw/zinc/37/06/05/173370605.db2.gz SJXJGOCHLFVLBT-NSHDSACASA-N 2 1 216.325 0.191 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000053034431 173370478 /nfs/dbraw/zinc/37/04/78/173370478.db2.gz SCPHTHGHNBNDLT-JTQLQIEISA-N 2 1 208.309 0.461 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000053034431 173370480 /nfs/dbraw/zinc/37/04/80/173370480.db2.gz SCPHTHGHNBNDLT-JTQLQIEISA-N 2 1 208.309 0.461 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234407060 173370640 /nfs/dbraw/zinc/37/06/40/173370640.db2.gz CCXWOSVGSYBAKA-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402561 173374184 /nfs/dbraw/zinc/37/41/84/173374184.db2.gz XHAIATBDEUZOMD-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402561 173374186 /nfs/dbraw/zinc/37/41/86/173374186.db2.gz XHAIATBDEUZOMD-UWVGGRQHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227457006 173374199 /nfs/dbraw/zinc/37/41/99/173374199.db2.gz FYJQDRFOWVEZEX-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295156097 173374306 /nfs/dbraw/zinc/37/43/06/173374306.db2.gz KCFMIUIKUHMKQC-NSHDSACASA-N 2 1 247.342 0.978 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132958464 173374913 /nfs/dbraw/zinc/37/49/13/173374913.db2.gz ZRSYQZAVMJVZQR-HBNTYKKESA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC000053199457 173379211 /nfs/dbraw/zinc/37/92/11/173379211.db2.gz PHXWYSLJSOAZLF-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000053031619 173382199 /nfs/dbraw/zinc/38/21/99/173382199.db2.gz BQWVGTLOWZYGQZ-LLVKDONJSA-N 2 1 208.309 0.424 20 0 BCADMP COCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309037636 174179754 /nfs/dbraw/zinc/17/97/54/174179754.db2.gz JDPCAFKVLZJVOZ-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP COCCC[N@@H+](CCC[NH3+])CCOC ZINC000042408686 174222233 /nfs/dbraw/zinc/22/22/33/174222233.db2.gz GAYSWHRSWIEOJM-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP COCCC[N@H+](CCOC)CC(C)(C)[NH3+] ZINC000042425420 174224525 /nfs/dbraw/zinc/22/45/25/174224525.db2.gz AWNPOWSTPORWOT-UHFFFAOYSA-N 2 1 218.341 0.709 20 0 BCADMP COCCC[N@@H+](CCOC)CC(C)(C)[NH3+] ZINC000042425420 174224528 /nfs/dbraw/zinc/22/45/28/174224528.db2.gz AWNPOWSTPORWOT-UHFFFAOYSA-N 2 1 218.341 0.709 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000353466304 174274953 /nfs/dbraw/zinc/27/49/53/174274953.db2.gz YDAUZGKPQSJSTM-UHFFFAOYSA-N 2 1 244.379 0.848 20 0 BCADMP COCCOCCC[NH2+]C1CC[NH+](C)CC1 ZINC000020191728 174349989 /nfs/dbraw/zinc/34/99/89/174349989.db2.gz LHYXNRHUCUTWIC-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP COCCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070481622 174351718 /nfs/dbraw/zinc/35/17/18/174351718.db2.gz HERXDKJIIATUMA-FUNVUKJBSA-N 2 1 242.363 0.864 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070028374 174354047 /nfs/dbraw/zinc/35/40/47/174354047.db2.gz LDPMLGZGXMBWNW-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476305 174354494 /nfs/dbraw/zinc/35/44/94/174354494.db2.gz DFDJBXITIMRTCS-YNEHKIRRSA-N 2 1 242.363 0.709 20 0 BCADMP COCCOCCN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000377112481 174355672 /nfs/dbraw/zinc/35/56/72/174355672.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COCC[C@@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000309390534 174391161 /nfs/dbraw/zinc/39/11/61/174391161.db2.gz SWPUAQOLNNEPMI-LBPRGKRZSA-N 2 1 230.352 0.722 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502751 487631562 /nfs/dbraw/zinc/63/15/62/487631562.db2.gz FNXPCZYVQXSRED-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502751 487631567 /nfs/dbraw/zinc/63/15/67/487631567.db2.gz FNXPCZYVQXSRED-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502751 487631571 /nfs/dbraw/zinc/63/15/71/487631571.db2.gz FNXPCZYVQXSRED-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000383502751 487631576 /nfs/dbraw/zinc/63/15/76/487631576.db2.gz FNXPCZYVQXSRED-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000077302140 176019799 /nfs/dbraw/zinc/01/97/99/176019799.db2.gz SUZKZFIPYJKDMC-CMPLNLGQSA-N 2 1 208.305 0.999 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[NH3+] ZINC000019267240 176071975 /nfs/dbraw/zinc/07/19/75/176071975.db2.gz CZKVWBXURVWVOT-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000237677702 176072355 /nfs/dbraw/zinc/07/23/55/176072355.db2.gz BRTFEPKMAKJZLQ-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000340073799 176074930 /nfs/dbraw/zinc/07/49/30/176074930.db2.gz OJEDVILVKPYPCB-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000340073799 176074932 /nfs/dbraw/zinc/07/49/32/176074932.db2.gz OJEDVILVKPYPCB-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000020179812 176097710 /nfs/dbraw/zinc/09/77/10/176097710.db2.gz CTXRXLFTEGDBCM-GFCCVEGCSA-N 2 1 211.353 0.624 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000237543870 176099033 /nfs/dbraw/zinc/09/90/33/176099033.db2.gz NBWWPAZRYQPODY-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401470 176103704 /nfs/dbraw/zinc/10/37/04/176103704.db2.gz REQCWXWOZUWGGD-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000336584546 176109188 /nfs/dbraw/zinc/10/91/88/176109188.db2.gz GGZNXNSWIQBFBT-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000336584546 176109189 /nfs/dbraw/zinc/10/91/89/176109189.db2.gz GGZNXNSWIQBFBT-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1CO ZINC000336703112 176171990 /nfs/dbraw/zinc/17/19/90/176171990.db2.gz KFQFVKIIOFDLDY-RAIGVLPGSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1CO ZINC000336703112 176171991 /nfs/dbraw/zinc/17/19/91/176171991.db2.gz KFQFVKIIOFDLDY-RAIGVLPGSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1CO ZINC000336703112 176171992 /nfs/dbraw/zinc/17/19/92/176171992.db2.gz KFQFVKIIOFDLDY-RAIGVLPGSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1CO ZINC000336703112 176171994 /nfs/dbraw/zinc/17/19/94/176171994.db2.gz KFQFVKIIOFDLDY-RAIGVLPGSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333311041 176186457 /nfs/dbraw/zinc/18/64/57/176186457.db2.gz RVTBBTCTDDJVOC-IRUJWGPZSA-N 2 1 234.347 0.855 20 0 BCADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC[NH2+]C1CC1 ZINC000042438672 176196853 /nfs/dbraw/zinc/19/68/53/176196853.db2.gz IIOYNAWEUYFHOI-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000336756699 176233444 /nfs/dbraw/zinc/23/34/44/176233444.db2.gz JOFXAEZOUQLNDW-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000336756699 176233445 /nfs/dbraw/zinc/23/34/45/176233445.db2.gz JOFXAEZOUQLNDW-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)C[NH3+] ZINC000226402032 176266074 /nfs/dbraw/zinc/26/60/74/176266074.db2.gz VIJIGHPRAMEWKL-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)C[NH3+] ZINC000226402032 176266075 /nfs/dbraw/zinc/26/60/75/176266075.db2.gz VIJIGHPRAMEWKL-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226401987 176266874 /nfs/dbraw/zinc/26/68/74/176266874.db2.gz AHXWJBYBLMTZPR-PWSUYJOCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226401987 176266875 /nfs/dbraw/zinc/26/68/75/176266875.db2.gz AHXWJBYBLMTZPR-PWSUYJOCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000108356769 176267553 /nfs/dbraw/zinc/26/75/53/176267553.db2.gz NUVGIMCXALLFRY-LLVKDONJSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226401973 176267902 /nfs/dbraw/zinc/26/79/02/176267902.db2.gz UBAFHKCJHYXIAS-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226401973 176267905 /nfs/dbraw/zinc/26/79/05/176267905.db2.gz UBAFHKCJHYXIAS-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000336757933 176269594 /nfs/dbraw/zinc/26/95/94/176269594.db2.gz ZIEMXAUMDDANJW-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000336757933 176269597 /nfs/dbraw/zinc/26/95/97/176269597.db2.gz ZIEMXAUMDDANJW-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375780 176270683 /nfs/dbraw/zinc/27/06/83/176270683.db2.gz MFKXOAYZFLRGRN-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000362375780 176270685 /nfs/dbraw/zinc/27/06/85/176270685.db2.gz MFKXOAYZFLRGRN-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000362375780 176270687 /nfs/dbraw/zinc/27/06/87/176270687.db2.gz MFKXOAYZFLRGRN-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000362585020 176272296 /nfs/dbraw/zinc/27/22/96/176272296.db2.gz AYBMAQYUSVADMC-WOPDTQHZSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000362585020 176272297 /nfs/dbraw/zinc/27/22/97/176272297.db2.gz AYBMAQYUSVADMC-WOPDTQHZSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000362585020 176272299 /nfs/dbraw/zinc/27/22/99/176272299.db2.gz AYBMAQYUSVADMC-WOPDTQHZSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498296 176275843 /nfs/dbraw/zinc/27/58/43/176275843.db2.gz LLIMYRNIYVSNCS-OUAUKWLOSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454399 176276156 /nfs/dbraw/zinc/27/61/56/176276156.db2.gz MVUQLVSUUUOUAV-GHMZBOCLSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498294 176276394 /nfs/dbraw/zinc/27/63/94/176276394.db2.gz LLIMYRNIYVSNCS-GMTAPVOTSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771426 176285679 /nfs/dbraw/zinc/28/56/79/176285679.db2.gz KNVPLRFXWKCQTQ-PWSUYJOCSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000246572433 176323592 /nfs/dbraw/zinc/32/35/92/176323592.db2.gz SSHLECNLALBECW-WOPDTQHZSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000062613198 176327119 /nfs/dbraw/zinc/32/71/19/176327119.db2.gz UUTVOGVBSIDWBS-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310176997 176341143 /nfs/dbraw/zinc/34/11/43/176341143.db2.gz VVHUUGRBLBTSPV-RTXFEEFZSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310176997 176341146 /nfs/dbraw/zinc/34/11/46/176341146.db2.gz VVHUUGRBLBTSPV-RTXFEEFZSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309817445 176344518 /nfs/dbraw/zinc/34/45/18/176344518.db2.gz VPBGXECSIYZNEP-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309817445 176344519 /nfs/dbraw/zinc/34/45/19/176344519.db2.gz VPBGXECSIYZNEP-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237506744 176372413 /nfs/dbraw/zinc/37/24/13/176372413.db2.gz DHBLBGZYCREHLC-RKDXNWHRSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259721 176376131 /nfs/dbraw/zinc/37/61/31/176376131.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259721 176376133 /nfs/dbraw/zinc/37/61/33/176376133.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259721 176376135 /nfs/dbraw/zinc/37/61/35/176376135.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 2 1 241.379 0.125 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025241 487633791 /nfs/dbraw/zinc/63/37/91/487633791.db2.gz QSZDKJBDDLBFSC-NWDGAFQWSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313025241 487633793 /nfs/dbraw/zinc/63/37/93/487633793.db2.gz QSZDKJBDDLBFSC-NWDGAFQWSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025240 487633818 /nfs/dbraw/zinc/63/38/18/487633818.db2.gz QSZDKJBDDLBFSC-NEPJUHHUSA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313025240 487633823 /nfs/dbraw/zinc/63/38/23/487633823.db2.gz QSZDKJBDDLBFSC-NEPJUHHUSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373028082 176660037 /nfs/dbraw/zinc/66/00/37/176660037.db2.gz HZKLTHUXYXVSKW-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1C(=O)NCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000189272020 177058226 /nfs/dbraw/zinc/05/82/26/177058226.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237508688 177075532 /nfs/dbraw/zinc/07/55/32/177075532.db2.gz UQVTYVMGWLAOJI-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000340073798 177079255 /nfs/dbraw/zinc/07/92/55/177079255.db2.gz OJEDVILVKPYPCB-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000340073798 177079256 /nfs/dbraw/zinc/07/92/56/177079256.db2.gz OJEDVILVKPYPCB-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000237574872 177097408 /nfs/dbraw/zinc/09/74/08/177097408.db2.gz LKXQVZZCFGWZCB-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CCC[N@@H+](CCCCNC(N)=[NH2+])C1 ZINC000303258209 177098606 /nfs/dbraw/zinc/09/86/06/177098606.db2.gz KMODVLULEYRDKW-JTQLQIEISA-N 2 1 212.341 0.982 20 0 BCADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[NH+](C)C ZINC000341411418 177130917 /nfs/dbraw/zinc/13/09/17/177130917.db2.gz HNZIYHKDIUXEBT-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1NCC(F)(F)C[NH3+] ZINC000332006928 177174794 /nfs/dbraw/zinc/17/47/94/177174794.db2.gz PFJDBXVATKZVEO-DTWKUNHWSA-N 2 1 221.295 0.558 20 0 BCADMP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000336301789 177216344 /nfs/dbraw/zinc/21/63/44/177216344.db2.gz RAYOMAQHZLXHRT-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+](C2CC2)C1 ZINC000336301789 177216345 /nfs/dbraw/zinc/21/63/45/177216345.db2.gz RAYOMAQHZLXHRT-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237443439 177234328 /nfs/dbraw/zinc/23/43/28/177234328.db2.gz AHLIZCMHGWHKRJ-IVZWLZJFSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877202 177237507 /nfs/dbraw/zinc/23/75/07/177237507.db2.gz RZJVMQKHTCSWBW-WDEREUQCSA-N 2 1 227.352 0.204 20 0 BCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000362615719 177237873 /nfs/dbraw/zinc/23/78/73/177237873.db2.gz JDIGBEVRYXCMIW-CMPLNLGQSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000362615719 177237874 /nfs/dbraw/zinc/23/78/74/177237874.db2.gz JDIGBEVRYXCMIW-CMPLNLGQSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336752441 177238826 /nfs/dbraw/zinc/23/88/26/177238826.db2.gz GWINDRADFMBPPB-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336752441 177238828 /nfs/dbraw/zinc/23/88/28/177238828.db2.gz GWINDRADFMBPPB-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357236387 177241130 /nfs/dbraw/zinc/24/11/30/177241130.db2.gz CVMZDWAVLXKZCK-YWVKMMECSA-N 2 1 225.336 0.180 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000061918638 177251511 /nfs/dbraw/zinc/25/15/11/177251511.db2.gz HYURQFOQTBFWNA-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000226422283 177255883 /nfs/dbraw/zinc/25/58/83/177255883.db2.gz ZJAGLBAFOSSRIK-JQWIXIFHSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000094341523 177264598 /nfs/dbraw/zinc/26/45/98/177264598.db2.gz GBDRFWRQPOOMLW-GWCFXTLKSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000094341523 177264600 /nfs/dbraw/zinc/26/46/00/177264600.db2.gz GBDRFWRQPOOMLW-GWCFXTLKSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1CSCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336671381 177305416 /nfs/dbraw/zinc/30/54/16/177305416.db2.gz SFQUDCHYOLAZBG-JQWIXIFHSA-N 2 1 244.404 0.879 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCCO)CC[N@@H+]1C ZINC000123477400 177326505 /nfs/dbraw/zinc/32/65/05/177326505.db2.gz WOXKRASVXSOFKM-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCCO)CC[N@H+]1C ZINC000123477400 177326506 /nfs/dbraw/zinc/32/65/06/177326506.db2.gz WOXKRASVXSOFKM-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@@H]([N@H+](C)CCCO)CC[NH+]1C ZINC000123477400 177326507 /nfs/dbraw/zinc/32/65/07/177326507.db2.gz WOXKRASVXSOFKM-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)CCCO)CC[NH+]1C ZINC000123477400 177326508 /nfs/dbraw/zinc/32/65/08/177326508.db2.gz WOXKRASVXSOFKM-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000132918582 177328746 /nfs/dbraw/zinc/32/87/46/177328746.db2.gz TYCFHPUPRDKBDP-IUCAKERBSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132957356 177329483 /nfs/dbraw/zinc/32/94/83/177329483.db2.gz NHOBNWLZICSKHF-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000122294771 177362801 /nfs/dbraw/zinc/36/28/01/177362801.db2.gz ZFRNJLJPPWDPFY-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])CCN1C ZINC000357077617 177364280 /nfs/dbraw/zinc/36/42/80/177364280.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077617 177364282 /nfs/dbraw/zinc/36/42/82/177364282.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077617 177364283 /nfs/dbraw/zinc/36/42/83/177364283.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H]([N@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077617 177364285 /nfs/dbraw/zinc/36/42/85/177364285.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357077617 177364287 /nfs/dbraw/zinc/36/42/87/177364287.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H](N(C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357077617 177364289 /nfs/dbraw/zinc/36/42/89/177364289.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[C@H](N(C)CCOCC[NH3+])CC[N@H+]1C ZINC000357077617 177364290 /nfs/dbraw/zinc/36/42/90/177364290.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357240659 177367729 /nfs/dbraw/zinc/36/77/29/177367729.db2.gz JTDHONXKKJOJJS-UTLUCORTSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132956949 177367997 /nfs/dbraw/zinc/36/79/97/177367997.db2.gz NHOBNWLZICSKHF-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000358081095 177370960 /nfs/dbraw/zinc/37/09/60/177370960.db2.gz KNTBZNXPSNHCEC-WOPDTQHZSA-N 2 1 237.351 0.596 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000377531828 177395920 /nfs/dbraw/zinc/39/59/20/177395920.db2.gz YRGDUHRTSZKUQO-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909542 225272905 /nfs/dbraw/zinc/27/29/05/225272905.db2.gz GGWIHFYJGSBZLQ-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP O=C(/C=C\c1ncc[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000493485845 226229747 /nfs/dbraw/zinc/22/97/47/226229747.db2.gz CJSSKCLALDQUPW-BYCRGOAPSA-N 2 1 246.314 0.730 20 0 BCADMP O=C(C=Cc1c[nH]cn1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000493798134 226254697 /nfs/dbraw/zinc/25/46/97/226254697.db2.gz WCRHZAQQPIFIAJ-BQTOJVEASA-N 2 1 246.314 0.776 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494637427 226267461 /nfs/dbraw/zinc/26/74/61/226267461.db2.gz LEXPNNIHSBAMKZ-MRVPVSSYSA-N 2 1 235.278 0.229 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494813692 226269962 /nfs/dbraw/zinc/26/99/62/226269962.db2.gz YCOBCBPENMCZCX-LBPRGKRZSA-N 2 1 249.318 0.248 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400466972 226344285 /nfs/dbraw/zinc/34/42/85/226344285.db2.gz TXPYLUDXLFFLPZ-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP Cc1n[nH]cc1[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000680827494 487652824 /nfs/dbraw/zinc/65/28/24/487652824.db2.gz ZOYDCSCNYXXSMD-BXKDBHETSA-N 2 1 238.335 0.435 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCC[C@@H]([NH3+])C1 ZINC000314070580 487659168 /nfs/dbraw/zinc/65/91/68/487659168.db2.gz WUPCIOQIKOBSMX-LLVKDONJSA-N 2 1 222.336 0.776 20 0 BCADMP C[C@@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000675147481 487673016 /nfs/dbraw/zinc/67/30/16/487673016.db2.gz SKSUMVOXBFYTAB-SCVCMEIPSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673088 /nfs/dbraw/zinc/67/30/88/487673088.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673090 /nfs/dbraw/zinc/67/30/90/487673090.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673093 /nfs/dbraw/zinc/67/30/93/487673093.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673095 /nfs/dbraw/zinc/67/30/95/487673095.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262680777 487677971 /nfs/dbraw/zinc/67/79/71/487677971.db2.gz WWWRYYREMVSOPO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000393784492 487687580 /nfs/dbraw/zinc/68/75/80/487687580.db2.gz WMSGTEOKSCVNIQ-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000393784492 487687585 /nfs/dbraw/zinc/68/75/85/487687585.db2.gz WMSGTEOKSCVNIQ-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000669403128 487705118 /nfs/dbraw/zinc/70/51/18/487705118.db2.gz LEKQRVAKGIUZEN-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH2+]CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403238 487705228 /nfs/dbraw/zinc/70/52/28/487705228.db2.gz PNIOFHLTCQUEFX-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403273 487705712 /nfs/dbraw/zinc/70/57/12/487705712.db2.gz QVVHTMINWHQHJV-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403141 487705980 /nfs/dbraw/zinc/70/59/80/487705980.db2.gz LNNXRIFHCDYQRB-MNOVXSKESA-N 2 1 240.351 0.117 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403272 487706102 /nfs/dbraw/zinc/70/61/02/487706102.db2.gz QVVHTMINWHQHJV-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403342 487705928 /nfs/dbraw/zinc/70/59/28/487705928.db2.gz VZEUACGBKRUULL-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000082648643 487707481 /nfs/dbraw/zinc/70/74/81/487707481.db2.gz RZUIDTGTQHONDC-VXGBXAGGSA-N 2 1 211.353 0.479 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000082667295 487713459 /nfs/dbraw/zinc/71/34/59/487713459.db2.gz BWIDMVONSNJOJF-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336714125 487721173 /nfs/dbraw/zinc/72/11/73/487721173.db2.gz VVOQXJQEHMYUTL-QJPTWQEYSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394204 487730039 /nfs/dbraw/zinc/73/00/39/487730039.db2.gz ZSVCAHBWXVUQEP-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000250403242 487730914 /nfs/dbraw/zinc/73/09/14/487730914.db2.gz TZYRCBUHMPZWKM-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000250403242 487730919 /nfs/dbraw/zinc/73/09/19/487730919.db2.gz TZYRCBUHMPZWKM-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000226397574 487731300 /nfs/dbraw/zinc/73/13/00/487731300.db2.gz NMLFGHGZAXBUAP-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403941 487734141 /nfs/dbraw/zinc/73/41/41/487734141.db2.gz SIHOOBDCXLALAL-LPEHRKFASA-N 2 1 213.325 0.323 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551003 487735366 /nfs/dbraw/zinc/73/53/66/487735366.db2.gz AEUVMGCPKAYJFZ-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635485 487737358 /nfs/dbraw/zinc/73/73/58/487737358.db2.gz SADCWKMZYUOLLO-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454652 487741800 /nfs/dbraw/zinc/74/18/00/487741800.db2.gz AHRNZIAWHHVKHU-VXGBXAGGSA-N 2 1 214.353 0.935 20 0 BCADMP CCc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651449891 487744097 /nfs/dbraw/zinc/74/40/97/487744097.db2.gz UKXCPUGEBYLWSZ-CQSZACIVSA-N 2 1 247.342 0.899 20 0 BCADMP COCC[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226432709 487744582 /nfs/dbraw/zinc/74/45/82/487744582.db2.gz UHOWRPSRVOXESH-HBNTYKKESA-N 2 1 216.325 0.459 20 0 BCADMP COCC[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226432709 487744585 /nfs/dbraw/zinc/74/45/85/487744585.db2.gz UHOWRPSRVOXESH-HBNTYKKESA-N 2 1 216.325 0.459 20 0 BCADMP COCC[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251249350 487750841 /nfs/dbraw/zinc/75/08/41/487750841.db2.gz UHOWRPSRVOXESH-DCAQKATOSA-N 2 1 216.325 0.459 20 0 BCADMP COCC[C@H](C)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251249350 487750844 /nfs/dbraw/zinc/75/08/44/487750844.db2.gz UHOWRPSRVOXESH-DCAQKATOSA-N 2 1 216.325 0.459 20 0 BCADMP Cc1noc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000675644371 487759749 /nfs/dbraw/zinc/75/97/49/487759749.db2.gz UBKUHIWSZKMFSJ-QWRGUYRKSA-N 2 1 236.319 0.462 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251556271 487768494 /nfs/dbraw/zinc/76/84/94/487768494.db2.gz LZDDNILQISKDIQ-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000668462534 487786155 /nfs/dbraw/zinc/78/61/55/487786155.db2.gz HVIPBMBBACJUIS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251743869 487795446 /nfs/dbraw/zinc/79/54/46/487795446.db2.gz KZROJHIKYJKHND-CMPLNLGQSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251743869 487795454 /nfs/dbraw/zinc/79/54/54/487795454.db2.gz KZROJHIKYJKHND-CMPLNLGQSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234396114 487814262 /nfs/dbraw/zinc/81/42/62/487814262.db2.gz PUDUUIKLSKSJSW-MNOVXSKESA-N 2 1 216.325 0.189 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000414737648 487820272 /nfs/dbraw/zinc/82/02/72/487820272.db2.gz HNYMAEFRDYWAIP-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000414737648 487820278 /nfs/dbraw/zinc/82/02/78/487820278.db2.gz HNYMAEFRDYWAIP-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP c1cn(CC[N@H+]2CC[C@H](n3cncn3)C2)cn1 ZINC000681602832 487821212 /nfs/dbraw/zinc/82/12/12/487821212.db2.gz FBUXANBQFQUQMZ-NSHDSACASA-N 2 1 232.291 0.422 20 0 BCADMP CCC[C@]1(CO)CCC[N@H+]1CCC[NH3+] ZINC000414759075 487822821 /nfs/dbraw/zinc/82/28/21/487822821.db2.gz NPKYPIIRPLQJQY-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000252610435 487827450 /nfs/dbraw/zinc/82/74/50/487827450.db2.gz URTTUQPFZWOWER-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000389800309 487838177 /nfs/dbraw/zinc/83/81/77/487838177.db2.gz AEGGWRCVODWUQI-GXSJLCMTSA-N 2 1 223.324 0.422 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000852747016 588699196 /nfs/dbraw/zinc/69/91/96/588699196.db2.gz UNOWJWFYPBZYFW-JGVFFNPUSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000386382684 487842868 /nfs/dbraw/zinc/84/28/68/487842868.db2.gz DGFALWCJGAOWQR-GARJFASQSA-N 2 1 225.336 0.385 20 0 BCADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666627477 487847200 /nfs/dbraw/zinc/84/72/00/487847200.db2.gz FCMDHEUMUCIPEZ-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747454 487851732 /nfs/dbraw/zinc/85/17/32/487851732.db2.gz AEUVMGCPKAYJFZ-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747457 487851919 /nfs/dbraw/zinc/85/19/19/487851919.db2.gz AEUVMGCPKAYJFZ-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704847 487863082 /nfs/dbraw/zinc/86/30/82/487863082.db2.gz STFLCDFDCPZDFY-DGCLKSJQSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704847 487863084 /nfs/dbraw/zinc/86/30/84/487863084.db2.gz STFLCDFDCPZDFY-DGCLKSJQSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704851 487863108 /nfs/dbraw/zinc/86/31/08/487863108.db2.gz STFLCDFDCPZDFY-YPMHNXCESA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704851 487863110 /nfs/dbraw/zinc/86/31/10/487863110.db2.gz STFLCDFDCPZDFY-YPMHNXCESA-N 2 1 239.363 0.572 20 0 BCADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC([NH3+])C1 ZINC000307943293 641198335 /nfs/dbraw/zinc/19/83/35/641198335.db2.gz SBSBSXJKMMXFQS-RRQHEKLDSA-N 2 1 226.242 0.721 20 0 BCADMP CC[N@@H+](CCNC(=O)NC/C=C/C[NH3+])C1CC1 ZINC000669444679 487889220 /nfs/dbraw/zinc/88/92/20/487889220.db2.gz DUDPUUOOPSLIEU-ONEGZZNKSA-N 2 1 240.351 0.285 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000666910604 487901760 /nfs/dbraw/zinc/90/17/60/487901760.db2.gz CYUWYJWRIUHULS-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000666910603 487901934 /nfs/dbraw/zinc/90/19/34/487901934.db2.gz CYUWYJWRIUHULS-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157800264 487921363 /nfs/dbraw/zinc/92/13/63/487921363.db2.gz RXSKOXKTZIQRGW-NEPJUHHUSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000679354769 487927152 /nfs/dbraw/zinc/92/71/52/487927152.db2.gz ZNHZVHLGTLQRJQ-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)CC[NH2+]C)C(C)C ZINC000417453878 487929264 /nfs/dbraw/zinc/92/92/64/487929264.db2.gz BFBISNJZVHPRBF-UHFFFAOYSA-N 2 1 244.383 0.578 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352628 487929952 /nfs/dbraw/zinc/92/99/52/487929952.db2.gz GGVCSHZUKHQJNS-XQQFMLRXSA-N 3 1 241.379 0.018 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352628 487929955 /nfs/dbraw/zinc/92/99/55/487929955.db2.gz GGVCSHZUKHQJNS-XQQFMLRXSA-N 3 1 241.379 0.018 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363661 487932766 /nfs/dbraw/zinc/93/27/66/487932766.db2.gz KOMNAMJLGPDRNB-UMSGYPCISA-N 2 1 241.379 0.694 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363661 487932769 /nfs/dbraw/zinc/93/27/69/487932769.db2.gz KOMNAMJLGPDRNB-UMSGYPCISA-N 2 1 241.379 0.694 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046112 323005878 /nfs/dbraw/zinc/00/58/78/323005878.db2.gz CIRLLYIUEFXPPU-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046112 323005879 /nfs/dbraw/zinc/00/58/79/323005879.db2.gz CIRLLYIUEFXPPU-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000565046102 323005973 /nfs/dbraw/zinc/00/59/73/323005973.db2.gz CCXUBDWZBMWZCR-LBPRGKRZSA-N 2 1 236.363 0.894 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1CCC[NH2+]1 ZINC000564722742 323007502 /nfs/dbraw/zinc/00/75/02/323007502.db2.gz XEYBCQVDASJGCI-XQHKEYJVSA-N 2 1 242.363 0.647 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)C1)C1CC1 ZINC000151622936 323020736 /nfs/dbraw/zinc/02/07/36/323020736.db2.gz UMGBZDAYLGPQFX-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572986549 323039957 /nfs/dbraw/zinc/03/99/57/323039957.db2.gz LCSALVYNLTUJQJ-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)n(C)n1 ZINC000569868029 323043284 /nfs/dbraw/zinc/04/32/84/323043284.db2.gz SJWOAGYSSGOSJS-UHFFFAOYSA-N 2 1 222.336 0.914 20 0 BCADMP CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000569962454 323045917 /nfs/dbraw/zinc/04/59/17/323045917.db2.gz YDGCXUVDMBVQDB-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000570225316 323053758 /nfs/dbraw/zinc/05/37/58/323053758.db2.gz NLYXDFJJUHJRFW-QWRGUYRKSA-N 2 1 227.352 0.393 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000570225316 323053759 /nfs/dbraw/zinc/05/37/59/323053759.db2.gz NLYXDFJJUHJRFW-QWRGUYRKSA-N 2 1 227.352 0.393 20 0 BCADMP COC[C@@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000570303577 323055735 /nfs/dbraw/zinc/05/57/35/323055735.db2.gz GFDPPAONRXSFPA-HBNTYKKESA-N 2 1 200.326 0.999 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000570667426 323066477 /nfs/dbraw/zinc/06/64/77/323066477.db2.gz NQOJLRUOZDXSAU-OUAUKWLOSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000570685966 323067204 /nfs/dbraw/zinc/06/72/04/323067204.db2.gz BUUFZTHEPRJPHS-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000570720939 323068545 /nfs/dbraw/zinc/06/85/45/323068545.db2.gz PTJHVCZYQCCSQN-FRRDWIJNSA-N 2 1 241.379 0.376 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(F)C1 ZINC000572659709 323072793 /nfs/dbraw/zinc/07/27/93/323072793.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 1 218.316 0.733 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000563014473 323079940 /nfs/dbraw/zinc/07/99/40/323079940.db2.gz WTEWEVHOTQBGRR-JQWIXIFHSA-N 2 1 212.337 0.997 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109161 323093089 /nfs/dbraw/zinc/09/30/89/323093089.db2.gz ZMFXUZICBYECDK-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000563135147 323094699 /nfs/dbraw/zinc/09/46/99/323094699.db2.gz IELLHICJVMKEMB-GRYCIOLGSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000563142867 323095274 /nfs/dbraw/zinc/09/52/74/323095274.db2.gz QHFJXXLKIIYDQK-IVZWLZJFSA-N 2 1 243.376 0.153 20 0 BCADMP OCCCC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000563155309 323096101 /nfs/dbraw/zinc/09/61/01/323096101.db2.gz MZRVVIKLEDOFOD-UHFFFAOYSA-N 2 1 241.379 0.129 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000563215630 323102977 /nfs/dbraw/zinc/10/29/77/323102977.db2.gz ULMQLZZQIWXMRY-CHWSQXEVSA-N 2 1 249.362 0.600 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000338431639 323104937 /nfs/dbraw/zinc/10/49/37/323104937.db2.gz RZWFQYRUXMKSNY-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000338431639 323104938 /nfs/dbraw/zinc/10/49/38/323104938.db2.gz RZWFQYRUXMKSNY-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cncn1C ZINC000401651731 323105158 /nfs/dbraw/zinc/10/51/58/323105158.db2.gz QIIMSLKCPGIWID-AAEUAGOBSA-N 2 1 236.363 0.892 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000571081331 323135042 /nfs/dbraw/zinc/13/50/42/323135042.db2.gz MCGBZFWVVJOTRD-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571169059 323137463 /nfs/dbraw/zinc/13/74/63/323137463.db2.gz JFYVBDUTSQDVHI-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571297430 323140804 /nfs/dbraw/zinc/14/08/04/323140804.db2.gz MXAQNOBYEHZNOP-HTQZYQBOSA-N 2 1 207.268 0.440 20 0 BCADMP C[C@@H]([NH3+])C1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000571458090 323145631 /nfs/dbraw/zinc/14/56/31/323145631.db2.gz WIJWJXGEUULJGM-MRVPVSSYSA-N 2 1 249.305 0.556 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571521911 323146719 /nfs/dbraw/zinc/14/67/19/323146719.db2.gz BTAJPTVOGXAADG-CHWSQXEVSA-N 2 1 242.363 0.853 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571521912 323146778 /nfs/dbraw/zinc/14/67/78/323146778.db2.gz BTAJPTVOGXAADG-OLZOCXBDSA-N 2 1 242.363 0.853 20 0 BCADMP [NH3+]CCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000563718868 323175472 /nfs/dbraw/zinc/17/54/72/323175472.db2.gz ZRSRBYIFVKRKRK-SNVBAGLBSA-N 2 1 221.308 0.312 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308966713 323182729 /nfs/dbraw/zinc/18/27/29/323182729.db2.gz WHQDWUPACRYJAR-NXEZZACHSA-N 2 1 211.309 0.976 20 0 BCADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCC[NH2+]1 ZINC000530219295 323217963 /nfs/dbraw/zinc/21/79/63/323217963.db2.gz JCFJSWMPXJWOJP-UZEXVOJHSA-N 2 1 210.321 0.896 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000532515938 323272702 /nfs/dbraw/zinc/27/27/02/323272702.db2.gz VAWLQIRGWKPANP-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C(C)C ZINC000309294457 323341251 /nfs/dbraw/zinc/34/12/51/323341251.db2.gz WRNRAYAHMTWOBV-NWDGAFQWSA-N 2 1 232.368 0.296 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000564076424 323425157 /nfs/dbraw/zinc/42/51/57/323425157.db2.gz ATSMQMZQIFJRLK-SECBINFHSA-N 2 1 245.348 0.214 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000235433457 487957852 /nfs/dbraw/zinc/95/78/52/487957852.db2.gz AACUOWAMOXRTCO-CYBMUJFWSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000235435194 487958376 /nfs/dbraw/zinc/95/83/76/487958376.db2.gz GZDIHWDUHQETOA-WCQYABFASA-N 2 1 239.363 0.573 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[NH3+])C1 ZINC000083889431 487960039 /nfs/dbraw/zinc/96/00/39/487960039.db2.gz OXBNGOAVAARVKY-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083889432 487959749 /nfs/dbraw/zinc/95/97/49/487959749.db2.gz AILVCSFMXVEHGX-SNVBAGLBSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000572475945 324118877 /nfs/dbraw/zinc/11/88/77/324118877.db2.gz AMQYZYNTDKJHKL-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCOC(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038053 324223793 /nfs/dbraw/zinc/22/37/93/324223793.db2.gz AIOMQOQVXRELNX-UHFFFAOYSA-N 2 1 229.324 0.499 20 0 BCADMP CCOC(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038053 324223797 /nfs/dbraw/zinc/22/37/97/324223797.db2.gz AIOMQOQVXRELNX-UHFFFAOYSA-N 2 1 229.324 0.499 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000083913564 487966417 /nfs/dbraw/zinc/96/64/17/487966417.db2.gz JZDPZKJPDOPVNZ-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133697399 325310630 /nfs/dbraw/zinc/31/06/30/325310630.db2.gz LIKSHQMZLVBYJP-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000135074791 325392090 /nfs/dbraw/zinc/39/20/90/325392090.db2.gz KDHJJDXICLPTGG-ZNSHCXBVSA-N 2 1 200.326 0.686 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000122168671 487969597 /nfs/dbraw/zinc/96/95/97/487969597.db2.gz NZMRKIGNMPZRDQ-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000122168671 487969601 /nfs/dbraw/zinc/96/96/01/487969601.db2.gz NZMRKIGNMPZRDQ-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC000400062470 487970067 /nfs/dbraw/zinc/97/00/67/487970067.db2.gz BKQRLEYYLANQKT-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000400062470 487970072 /nfs/dbraw/zinc/97/00/72/487970072.db2.gz BKQRLEYYLANQKT-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000400062470 487970076 /nfs/dbraw/zinc/97/00/76/487970076.db2.gz BKQRLEYYLANQKT-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC000400062470 487970079 /nfs/dbraw/zinc/97/00/79/487970079.db2.gz BKQRLEYYLANQKT-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000566201681 326011759 /nfs/dbraw/zinc/01/17/59/326011759.db2.gz UPZOBXYLSQHRCE-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000566216017 326016416 /nfs/dbraw/zinc/01/64/16/326016416.db2.gz INZSWXZFVUSHOO-DGCLKSJQSA-N 2 1 242.363 0.864 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566244387 326021532 /nfs/dbraw/zinc/02/15/32/326021532.db2.gz YCIOWYXUFCWCDF-QJPTWQEYSA-N 3 1 227.352 0.021 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000566296315 326030249 /nfs/dbraw/zinc/03/02/49/326030249.db2.gz FJXUWACBEGVDDK-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)[C@H]1CCNC1=O ZINC000566417635 326043236 /nfs/dbraw/zinc/04/32/36/326043236.db2.gz ZPBTVVGTKPUJIM-NSHDSACASA-N 2 1 236.319 0.173 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCNC1=O ZINC000566417635 326043242 /nfs/dbraw/zinc/04/32/42/326043242.db2.gz ZPBTVVGTKPUJIM-NSHDSACASA-N 2 1 236.319 0.173 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000566428710 326046000 /nfs/dbraw/zinc/04/60/00/326046000.db2.gz JKGWZADFWVHPBI-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000566428710 326046004 /nfs/dbraw/zinc/04/60/04/326046004.db2.gz JKGWZADFWVHPBI-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H](C(=O)NCC1([NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000566467764 326052205 /nfs/dbraw/zinc/05/22/05/326052205.db2.gz YTTBEMXHAONWRQ-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000566491383 326057836 /nfs/dbraw/zinc/05/78/36/326057836.db2.gz SOCGYPOKWCGMNB-STQMWFEESA-N 2 1 245.326 0.430 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000566491383 326057838 /nfs/dbraw/zinc/05/78/38/326057838.db2.gz SOCGYPOKWCGMNB-STQMWFEESA-N 2 1 245.326 0.430 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918039 326093998 /nfs/dbraw/zinc/09/39/98/326093998.db2.gz DQOHWYQDWFGZMT-OUAUKWLOSA-N 2 1 200.326 0.545 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000566921728 326094319 /nfs/dbraw/zinc/09/43/19/326094319.db2.gz CJFOJIWYMRCIAG-DTWKUNHWSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@@]1([NH3+])CCCC[C@H]1c1nc(C[NH3+])no1 ZINC000309755498 326162416 /nfs/dbraw/zinc/16/24/16/326162416.db2.gz HMHKOSFBDSIRRZ-OIBJUYFYSA-N 2 1 210.281 0.903 20 0 BCADMP C[C@]1([NH3+])CCCC[C@@H]1c1nc(C[NH3+])no1 ZINC000309755500 326162987 /nfs/dbraw/zinc/16/29/87/326162987.db2.gz HMHKOSFBDSIRRZ-XCBNKYQSSA-N 2 1 210.281 0.903 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567391310 326182331 /nfs/dbraw/zinc/18/23/31/326182331.db2.gz ZHTHKOHUIUXQEL-YPMHNXCESA-N 2 1 248.330 0.450 20 0 BCADMP COc1nccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000567521065 326209367 /nfs/dbraw/zinc/20/93/67/326209367.db2.gz OKIDDVDSDHVREM-NXEZZACHSA-N 2 1 236.319 0.845 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349201 326263959 /nfs/dbraw/zinc/26/39/59/326263959.db2.gz LLPAAIZVDDVYRB-UPJWGTAASA-N 2 1 242.363 0.587 20 0 BCADMP CC[C@H](C)C[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000568050902 326300380 /nfs/dbraw/zinc/30/03/80/326300380.db2.gz MQIQICZAOQIRCG-QWRGUYRKSA-N 2 1 202.342 0.935 20 0 BCADMP c1ncn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000567990713 326292591 /nfs/dbraw/zinc/29/25/91/326292591.db2.gz YPXRSSJPAVKLLL-LBPRGKRZSA-N 2 1 235.335 0.354 20 0 BCADMP c1ncn(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000567990713 326292593 /nfs/dbraw/zinc/29/25/93/326292593.db2.gz YPXRSSJPAVKLLL-LBPRGKRZSA-N 2 1 235.335 0.354 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321778 /nfs/dbraw/zinc/32/17/78/326321778.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321781 /nfs/dbraw/zinc/32/17/81/326321781.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321783 /nfs/dbraw/zinc/32/17/83/326321783.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)CC ZINC000568527090 326362951 /nfs/dbraw/zinc/36/29/51/326362951.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)CC ZINC000568527090 326362952 /nfs/dbraw/zinc/36/29/52/326362952.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)CC ZINC000568527090 326362954 /nfs/dbraw/zinc/36/29/54/326362954.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH3+] ZINC000573206664 326435367 /nfs/dbraw/zinc/43/53/67/326435367.db2.gz ITBUKRIOQXRQEI-LLVKDONJSA-N 2 1 237.303 0.160 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062852777 487997727 /nfs/dbraw/zinc/99/77/27/487997727.db2.gz SWROEGBQTFTZCM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP COc1c(N)ncnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000134866499 488003211 /nfs/dbraw/zinc/00/32/11/488003211.db2.gz HUFVFYDARYJDPP-MRVPVSSYSA-N 2 1 249.318 0.716 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646769 488009914 /nfs/dbraw/zinc/00/99/14/488009914.db2.gz QRYQIQLJVCXZHQ-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000147464053 488025483 /nfs/dbraw/zinc/02/54/83/488025483.db2.gz KZROJHIKYJKHND-JQWIXIFHSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000147464053 488025489 /nfs/dbraw/zinc/02/54/89/488025489.db2.gz KZROJHIKYJKHND-JQWIXIFHSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484372 488028400 /nfs/dbraw/zinc/02/84/00/488028400.db2.gz CBKCRSIISMFUFC-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484372 488028406 /nfs/dbraw/zinc/02/84/06/488028406.db2.gz CBKCRSIISMFUFC-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147507275 488031123 /nfs/dbraw/zinc/03/11/23/488031123.db2.gz DISSRFNRXALVJF-UMNHJUIQSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147507275 488031126 /nfs/dbraw/zinc/03/11/26/488031126.db2.gz DISSRFNRXALVJF-UMNHJUIQSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000310499352 488033451 /nfs/dbraw/zinc/03/34/51/488033451.db2.gz HMXQXMLUZWTKMO-JHJVBQTASA-N 2 1 244.379 0.845 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655447304 488036099 /nfs/dbraw/zinc/03/60/99/488036099.db2.gz VKBOWGMFVLUJJC-ONGXEEELSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655447301 488036716 /nfs/dbraw/zinc/03/67/16/488036716.db2.gz VKBOWGMFVLUJJC-GXSJLCMTSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655450332 488040656 /nfs/dbraw/zinc/04/06/56/488040656.db2.gz KNBAEZGKKZCBJG-YPMHNXCESA-N 2 1 237.347 0.150 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663496478 488045576 /nfs/dbraw/zinc/04/55/76/488045576.db2.gz GSTBFAJFDSTNAD-HTOAHKCRSA-N 3 1 237.391 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663496478 488045582 /nfs/dbraw/zinc/04/55/82/488045582.db2.gz GSTBFAJFDSTNAD-HTOAHKCRSA-N 3 1 237.391 0.901 20 0 BCADMP CC[C@H](C)[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298600 488047024 /nfs/dbraw/zinc/04/70/24/488047024.db2.gz XGPWPQZCSOUAKD-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C([C@@H]1CC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257661440 488078008 /nfs/dbraw/zinc/07/80/08/488078008.db2.gz GJVIAXMAGIDGDE-GFCCVEGCSA-N 2 1 223.364 0.671 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257670655 488078514 /nfs/dbraw/zinc/07/85/14/488078514.db2.gz GINCEYOXQWEWGF-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169803 488079394 /nfs/dbraw/zinc/07/93/94/488079394.db2.gz NNACNANAMJMRME-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000257676047 488079261 /nfs/dbraw/zinc/07/92/61/488079261.db2.gz HSFQVGMRDAOIRD-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC)C1 ZINC000389195347 488080445 /nfs/dbraw/zinc/08/04/45/488080445.db2.gz WZSUXHSHJBFXHA-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000257726325 488084416 /nfs/dbraw/zinc/08/44/16/488084416.db2.gz VMGVIFVXOYRIDP-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743543 488087340 /nfs/dbraw/zinc/08/73/40/488087340.db2.gz ZHPCHZRGAJRFTB-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743543 488087345 /nfs/dbraw/zinc/08/73/45/488087345.db2.gz ZHPCHZRGAJRFTB-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236766014 488088010 /nfs/dbraw/zinc/08/80/10/488088010.db2.gz NWVMCYOKKCUWMQ-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417448642 488092911 /nfs/dbraw/zinc/09/29/11/488092911.db2.gz VSQOEZSCLMWVJN-LLVKDONJSA-N 2 1 244.383 0.578 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400396 488094576 /nfs/dbraw/zinc/09/45/76/488094576.db2.gz PLLCKDGOBGVMLV-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP c1nn2c(c1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712758 488098750 /nfs/dbraw/zinc/09/87/50/488098750.db2.gz OWBKKOCIQDQVLV-PHIMTYICSA-N 2 1 232.331 0.481 20 0 BCADMP c1nn2c(c1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712758 488098756 /nfs/dbraw/zinc/09/87/56/488098756.db2.gz OWBKKOCIQDQVLV-PHIMTYICSA-N 2 1 232.331 0.481 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310538627 488099482 /nfs/dbraw/zinc/09/94/82/488099482.db2.gz QAIAEYHTPNIEDW-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310538627 488099486 /nfs/dbraw/zinc/09/94/86/488099486.db2.gz QAIAEYHTPNIEDW-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310538627 488099489 /nfs/dbraw/zinc/09/94/89/488099489.db2.gz QAIAEYHTPNIEDW-OLZOCXBDSA-N 2 1 244.379 0.656 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650360 488104406 /nfs/dbraw/zinc/10/44/06/488104406.db2.gz NYSKIYLVBYFXED-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000389706384 488106888 /nfs/dbraw/zinc/10/68/88/488106888.db2.gz DEZBLWVLAXXFQO-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000389730812 488109565 /nfs/dbraw/zinc/10/95/65/488109565.db2.gz JQUFVOXHZGERBL-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000389752372 488109733 /nfs/dbraw/zinc/10/97/33/488109733.db2.gz QGMSMRGFZVFNQO-JTQLQIEISA-N 2 1 248.330 0.708 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000389752372 488109736 /nfs/dbraw/zinc/10/97/36/488109736.db2.gz QGMSMRGFZVFNQO-JTQLQIEISA-N 2 1 248.330 0.708 20 0 BCADMP CC[NH+]1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000668699243 488130253 /nfs/dbraw/zinc/13/02/53/488130253.db2.gz NFLBDXFAJGBWSW-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121144754 490076750 /nfs/dbraw/zinc/07/67/50/490076750.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121144754 490076755 /nfs/dbraw/zinc/07/67/55/490076755.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121144754 490076758 /nfs/dbraw/zinc/07/67/58/490076758.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 2 1 214.353 0.888 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000674289246 487550669 /nfs/dbraw/zinc/55/06/69/487550669.db2.gz BKVJTNAQVXCZRS-CMPLNLGQSA-N 2 1 239.363 0.632 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000673917667 487478120 /nfs/dbraw/zinc/47/81/20/487478120.db2.gz XIMVAXPWXZUIBZ-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP Cc1c[nH+]ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405458186 487484840 /nfs/dbraw/zinc/48/48/40/487484840.db2.gz IBWHAEQYAJLAIN-NWDGAFQWSA-N 2 1 233.315 0.645 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399504944 487488742 /nfs/dbraw/zinc/48/87/42/487488742.db2.gz XPVIIOLKMDIJPQ-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399504944 487488749 /nfs/dbraw/zinc/48/87/49/487488749.db2.gz XPVIIOLKMDIJPQ-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399504944 487488754 /nfs/dbraw/zinc/48/87/54/487488754.db2.gz XPVIIOLKMDIJPQ-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399504944 487488759 /nfs/dbraw/zinc/48/87/59/487488759.db2.gz XPVIIOLKMDIJPQ-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1C[NH2+]CCO1 ZINC000086188768 487489758 /nfs/dbraw/zinc/48/97/58/487489758.db2.gz UANDYZQIPHZHPZ-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCCO)C1CC1 ZINC000380969286 487492426 /nfs/dbraw/zinc/49/24/26/487492426.db2.gz ACJPEBABLIAMPK-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCCO)C1CC1 ZINC000380969286 487492430 /nfs/dbraw/zinc/49/24/30/487492430.db2.gz ACJPEBABLIAMPK-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CCCO)C1CC1 ZINC000380969286 487492434 /nfs/dbraw/zinc/49/24/34/487492434.db2.gz ACJPEBABLIAMPK-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCCO)C1CC1 ZINC000380969286 487492442 /nfs/dbraw/zinc/49/24/42/487492442.db2.gz ACJPEBABLIAMPK-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393963677 487494099 /nfs/dbraw/zinc/49/40/99/487494099.db2.gz JSZHLFOOGXZGRS-VXGBXAGGSA-N 2 1 246.395 0.684 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000381172300 487500947 /nfs/dbraw/zinc/50/09/47/487500947.db2.gz UKNFUEUXGYSEJU-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000381172300 487500950 /nfs/dbraw/zinc/50/09/50/487500950.db2.gz UKNFUEUXGYSEJU-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](COC)C1 ZINC000381172300 487500953 /nfs/dbraw/zinc/50/09/53/487500953.db2.gz UKNFUEUXGYSEJU-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC000381172300 487500956 /nfs/dbraw/zinc/50/09/56/487500956.db2.gz UKNFUEUXGYSEJU-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC ZINC000662273451 487521610 /nfs/dbraw/zinc/52/16/10/487521610.db2.gz MQRDAUSPGXTJKT-XQQFMLRXSA-N 2 1 242.363 0.579 20 0 BCADMP CCn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000404434988 488160184 /nfs/dbraw/zinc/16/01/84/488160184.db2.gz QKWDSZGBOZYLGD-ONGXEEELSA-N 2 1 223.324 0.515 20 0 BCADMP CCn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000404434985 488160234 /nfs/dbraw/zinc/16/02/34/488160234.db2.gz QKWDSZGBOZYLGD-KOLCDFICSA-N 2 1 223.324 0.515 20 0 BCADMP CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259031281 488148497 /nfs/dbraw/zinc/14/84/97/488148497.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 2 1 225.380 0.870 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230764504 488155823 /nfs/dbraw/zinc/15/58/23/488155823.db2.gz XIJDADZVXIXERP-LBPRGKRZSA-N 2 1 236.363 0.894 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775651 488156805 /nfs/dbraw/zinc/15/68/05/488156805.db2.gz UZTIIHPDGZEECP-NEPJUHHUSA-N 2 1 236.363 0.879 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000230775128 488156829 /nfs/dbraw/zinc/15/68/29/488156829.db2.gz JDPFGMUXOVRVHY-PHIMTYICSA-N 2 1 220.320 0.114 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167527944 488175936 /nfs/dbraw/zinc/17/59/36/488175936.db2.gz XPYQBTPMGIMFMN-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990305 488178551 /nfs/dbraw/zinc/17/85/51/488178551.db2.gz HCOOTCNJKGDFRC-MROQNXINSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667990305 488178554 /nfs/dbraw/zinc/17/85/54/488178554.db2.gz HCOOTCNJKGDFRC-MROQNXINSA-N 2 1 224.348 0.831 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398099980 488210451 /nfs/dbraw/zinc/21/04/51/488210451.db2.gz HIJRTVIVVJNYCL-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000678882638 488293420 /nfs/dbraw/zinc/29/34/20/488293420.db2.gz HKJFFFPJXBPMNX-JTQLQIEISA-N 2 1 225.336 0.315 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000684396132 488305762 /nfs/dbraw/zinc/30/57/62/488305762.db2.gz SZKCOJIZHBMQSS-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000684396132 488305763 /nfs/dbraw/zinc/30/57/63/488305763.db2.gz SZKCOJIZHBMQSS-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078740014 490057806 /nfs/dbraw/zinc/05/78/06/490057806.db2.gz CSSXNMITJGOVKL-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP C[N@@H+]1CCC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000653112254 490122340 /nfs/dbraw/zinc/12/23/40/490122340.db2.gz SDOHVSGLJRGHFM-QMMMGPOBSA-N 2 1 235.278 0.181 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000653112254 490122346 /nfs/dbraw/zinc/12/23/46/490122346.db2.gz SDOHVSGLJRGHFM-QMMMGPOBSA-N 2 1 235.278 0.181 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000078711936 490220353 /nfs/dbraw/zinc/22/03/53/490220353.db2.gz IRWLRKFJNQOKBP-ZJUUUORDSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000571651587 490286660 /nfs/dbraw/zinc/28/66/60/490286660.db2.gz IWCSREUSSNZYOZ-JGVFFNPUSA-N 2 1 235.278 0.166 20 0 BCADMP CCc1nn(C)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000124612480 490382833 /nfs/dbraw/zinc/38/28/33/490382833.db2.gz HUGWNHXPHXNTAJ-QWRGUYRKSA-N 2 1 234.347 0.634 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000131006747 490467785 /nfs/dbraw/zinc/46/77/85/490467785.db2.gz TXMFKVOEKPZTEA-QWHCGFSZSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)CC[N@H+]1C ZINC000132209673 491134745 /nfs/dbraw/zinc/13/47/45/491134745.db2.gz MYAGVJIDDSEIBY-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1CNCCO1 ZINC000132422600 491135884 /nfs/dbraw/zinc/13/58/84/491135884.db2.gz ZRXGGYXLDUNPJK-VWYCJHECSA-N 2 1 230.377 0.801 20 0 BCADMP C[C@@H]1[C@H](C)SCCN1C[C@@H]1C[NH2+]CCO1 ZINC000132422600 491135885 /nfs/dbraw/zinc/13/58/85/491135885.db2.gz ZRXGGYXLDUNPJK-VWYCJHECSA-N 2 1 230.377 0.801 20 0 BCADMP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000309481448 491149461 /nfs/dbraw/zinc/14/94/61/491149461.db2.gz DVCZUURBLFROHW-CIUDSAMLSA-N 2 1 238.253 0.451 20 0 BCADMP Nc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000309551009 491151245 /nfs/dbraw/zinc/15/12/45/491151245.db2.gz KCXNQQVPDUGVQO-QWRGUYRKSA-N 2 1 218.304 0.315 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000488435815 533726824 /nfs/dbraw/zinc/72/68/24/533726824.db2.gz WERCMVUOHAXMPY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000891438377 582685667 /nfs/dbraw/zinc/68/56/67/582685667.db2.gz QKVZAIHINBYQHR-OUAUKWLOSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000335522241 517438933 /nfs/dbraw/zinc/43/89/33/517438933.db2.gz SPQUWZKHOPYQBM-UHFFFAOYSA-N 2 1 241.379 0.914 20 0 BCADMP CC(=O)N[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178957827 534663457 /nfs/dbraw/zinc/66/34/57/534663457.db2.gz BSJRWLZHQSAZER-ZDUSSCGKSA-N 2 1 239.363 0.587 20 0 BCADMP COCCOCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638093 536494992 /nfs/dbraw/zinc/49/49/92/536494992.db2.gz DFSFADBRBUUYBC-UHFFFAOYSA-N 2 1 218.341 0.566 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400417383 527742676 /nfs/dbraw/zinc/74/26/76/527742676.db2.gz VOIABIILGZDGOS-OUAUKWLOSA-N 2 1 200.326 0.733 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358579 528260574 /nfs/dbraw/zinc/26/05/74/528260574.db2.gz BHGSGQJTKVBUFA-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493937165 528345195 /nfs/dbraw/zinc/34/51/95/528345195.db2.gz NZAVLNHSGDTWOD-QWRGUYRKSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494681295 528495555 /nfs/dbraw/zinc/49/55/55/528495555.db2.gz KLFUMUDNVRYOQQ-IJLUTSLNSA-N 2 1 241.379 0.911 20 0 BCADMP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC[NH3+])C1 ZINC000496789477 528976138 /nfs/dbraw/zinc/97/61/38/528976138.db2.gz DJVJLKFCMVTJIS-WDEREUQCSA-N 2 1 243.351 0.792 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493171904 528981507 /nfs/dbraw/zinc/98/15/07/528981507.db2.gz OEIUFURPSYPFKO-AATRIKPKSA-N 2 1 225.336 0.313 20 0 BCADMP CCOC(=O)N[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000496645736 529096040 /nfs/dbraw/zinc/09/60/40/529096040.db2.gz RCZWERFUTYVOSS-SNVBAGLBSA-N 2 1 229.324 0.546 20 0 BCADMP CCOC(=O)N[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000496645736 529096048 /nfs/dbraw/zinc/09/60/48/529096048.db2.gz RCZWERFUTYVOSS-SNVBAGLBSA-N 2 1 229.324 0.546 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400457183 529125224 /nfs/dbraw/zinc/12/52/24/529125224.db2.gz QEKTWOFVRAMBSN-WDEREUQCSA-N 2 1 227.352 0.631 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261858868 534988012 /nfs/dbraw/zinc/98/80/12/534988012.db2.gz SCLVOBCVOWHYPG-WCQYABFASA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000252682205 535064748 /nfs/dbraw/zinc/06/47/48/535064748.db2.gz BQVNWMZWEVQBEB-GHMZBOCLSA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000252682205 535064744 /nfs/dbraw/zinc/06/47/44/535064744.db2.gz BQVNWMZWEVQBEB-GHMZBOCLSA-N 2 1 229.368 0.768 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000262324769 535173864 /nfs/dbraw/zinc/17/38/64/535173864.db2.gz FWHXGBFGIWBELH-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000261973494 535197893 /nfs/dbraw/zinc/19/78/93/535197893.db2.gz QMVVITSSWJZDAS-LBPRGKRZSA-N 2 1 242.363 0.994 20 0 BCADMP CC(C)([NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000335359288 535202153 /nfs/dbraw/zinc/20/21/53/535202153.db2.gz XTIPOVFNFAEWTD-UHFFFAOYSA-N 2 1 240.351 0.213 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000261555489 535754999 /nfs/dbraw/zinc/75/49/99/535754999.db2.gz VBTPBPFKXVDSAC-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335939359 535959592 /nfs/dbraw/zinc/95/95/92/535959592.db2.gz FLAFIJACXINVNH-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+][C@@H]1CCN(CCCn2cc[nH+]c2C)C1 ZINC000348754565 536375416 /nfs/dbraw/zinc/37/54/16/536375416.db2.gz ATCYLQYSOFWMJN-GFCCVEGCSA-N 2 1 222.336 0.875 20 0 BCADMP CN(C)C(=O)NCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262000795 536377906 /nfs/dbraw/zinc/37/79/06/536377906.db2.gz LFWZVZUQCFUIOT-LBPRGKRZSA-N 2 1 242.367 0.189 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262000795 536377908 /nfs/dbraw/zinc/37/79/08/536377908.db2.gz LFWZVZUQCFUIOT-LBPRGKRZSA-N 2 1 242.367 0.189 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000227331368 536377510 /nfs/dbraw/zinc/37/75/10/536377510.db2.gz GTZIJQLXKYWIIZ-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745023 536391652 /nfs/dbraw/zinc/39/16/52/536391652.db2.gz MCMMPQZFQIMYKK-SDDRHHMPSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+]C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000853248865 588728816 /nfs/dbraw/zinc/72/88/16/588728816.db2.gz KZOKCFRGXZQBBA-VIFPVBQESA-N 2 1 242.392 0.902 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCCC1=O ZINC000113244903 588828234 /nfs/dbraw/zinc/82/82/34/588828234.db2.gz LYJLJIONNJUREG-UHFFFAOYSA-N 2 1 239.363 0.840 20 0 BCADMP C/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346361 588828513 /nfs/dbraw/zinc/82/85/13/588828513.db2.gz YMBGPCASLKNAFQ-VFFGBVLKSA-N 2 1 241.379 0.951 20 0 BCADMP C/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346361 588828514 /nfs/dbraw/zinc/82/85/14/588828514.db2.gz YMBGPCASLKNAFQ-VFFGBVLKSA-N 2 1 241.379 0.951 20 0 BCADMP Cn1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C1CC1 ZINC000892253140 582814121 /nfs/dbraw/zinc/81/41/21/582814121.db2.gz WDDQRCZHZZUPIC-TXEJJXNPSA-N 2 1 246.358 0.949 20 0 BCADMP Cn1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C1CC1 ZINC000892253140 582814122 /nfs/dbraw/zinc/81/41/22/582814122.db2.gz WDDQRCZHZZUPIC-TXEJJXNPSA-N 2 1 246.358 0.949 20 0 BCADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2CO)CC[N@H+]1C ZINC000892673849 582948781 /nfs/dbraw/zinc/94/87/81/582948781.db2.gz OZRBUSACYUMDJV-PWSUYJOCSA-N 2 1 235.331 0.890 20 0 BCADMP COCCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892947182 583016090 /nfs/dbraw/zinc/01/60/90/583016090.db2.gz YPKYNHDQLQWCRW-CHWSQXEVSA-N 2 1 244.379 0.969 20 0 BCADMP CCn1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000857084004 588886482 /nfs/dbraw/zinc/88/64/82/588886482.db2.gz LDGKJWKRVIZVAR-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP CCn1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000857084004 588886483 /nfs/dbraw/zinc/88/64/83/588886483.db2.gz LDGKJWKRVIZVAR-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCCCC[NH3+] ZINC000224044388 583182795 /nfs/dbraw/zinc/18/27/95/583182795.db2.gz ZNIQKAGSKARXSC-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2COCCO2)CC1(C)C ZINC000858100891 583214386 /nfs/dbraw/zinc/21/43/86/583214386.db2.gz QZMVEKFJSHHAJT-VXGBXAGGSA-N 2 1 242.363 0.864 20 0 BCADMP CCn1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000857084057 588886153 /nfs/dbraw/zinc/88/61/53/588886153.db2.gz MSGMGBQYVSCOLZ-UHFFFAOYSA-N 2 1 237.351 1.000 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857101655 588887254 /nfs/dbraw/zinc/88/72/54/588887254.db2.gz FKJSDUAHGWNKOS-VIFPVBQESA-N 2 1 239.323 0.228 20 0 BCADMP Cc1cc(N)nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000893963964 583257891 /nfs/dbraw/zinc/25/78/91/583257891.db2.gz MHMFDLWJDZVPBG-CYBMUJFWSA-N 2 1 247.346 0.899 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857108662 588888621 /nfs/dbraw/zinc/88/86/21/588888621.db2.gz DUJXRVUDRDVQJT-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000894083860 583295476 /nfs/dbraw/zinc/29/54/76/583295476.db2.gz PTSNCXRZHZJZKV-TXEJJXNPSA-N 2 1 233.315 0.781 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000894174712 583326906 /nfs/dbraw/zinc/32/69/06/583326906.db2.gz XSCVGUWKAQZNHG-LBPRGKRZSA-N 2 1 244.379 0.969 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H](CO)C1CC1 ZINC000878420974 583372314 /nfs/dbraw/zinc/37/23/14/583372314.db2.gz VLRWCZHLCBGSAX-LLVKDONJSA-N 2 1 209.293 0.323 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000894271736 583403022 /nfs/dbraw/zinc/40/30/22/583403022.db2.gz UVQNKYNTXNPMTQ-BETUJISGSA-N 2 1 240.347 0.428 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2CC([NH+](C)C)C2)CC[N@H+]1C ZINC000857227763 588896236 /nfs/dbraw/zinc/89/62/36/588896236.db2.gz UBFXGXDSKDHRAY-HBIQZDMRSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)C[C@H](N)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843239 583414001 /nfs/dbraw/zinc/41/40/01/583414001.db2.gz CAMQUHOWPFCRMK-RYUDHWBXSA-N 2 1 213.369 0.949 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000747985158 583416667 /nfs/dbraw/zinc/41/66/67/583416667.db2.gz ZQIXYVNXZPDMJJ-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000747985158 583416668 /nfs/dbraw/zinc/41/66/68/583416668.db2.gz ZQIXYVNXZPDMJJ-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCC1=O ZINC000857232144 588898070 /nfs/dbraw/zinc/89/80/70/588898070.db2.gz NNTOOVMTCDVLDE-UHFFFAOYSA-N 2 1 225.336 0.450 20 0 BCADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473753 /nfs/dbraw/zinc/47/37/53/583473753.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 1 238.331 0.861 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000895162552 583610804 /nfs/dbraw/zinc/61/08/04/583610804.db2.gz WXLONYLTSIXOAO-LLVKDONJSA-N 2 1 221.304 0.502 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895429520 583668973 /nfs/dbraw/zinc/66/89/73/583668973.db2.gz OYWDBSPUKIIFAD-NXEZZACHSA-N 2 1 216.325 0.868 20 0 BCADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895769281 583724515 /nfs/dbraw/zinc/72/45/15/583724515.db2.gz QNRXDGANHPYVJZ-NSHDSACASA-N 2 1 221.304 0.998 20 0 BCADMP Cc1cc(CO)cc(NC[C@@H]2CCN2C)n1 ZINC000895769281 583724516 /nfs/dbraw/zinc/72/45/16/583724516.db2.gz QNRXDGANHPYVJZ-NSHDSACASA-N 2 1 221.304 0.998 20 0 BCADMP CN1CC[C@@H]1CNc1cc(-n2ccnc2)ncn1 ZINC000895771150 583725425 /nfs/dbraw/zinc/72/54/25/583725425.db2.gz HXRLGMYQGNVFJH-SNVBAGLBSA-N 2 1 244.302 0.778 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000896507591 583808533 /nfs/dbraw/zinc/80/85/33/583808533.db2.gz YFPIDXSDHMJBPI-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000883440550 583812761 /nfs/dbraw/zinc/81/27/61/583812761.db2.gz SZRFTMZTLSJOSN-CHWSQXEVSA-N 2 1 234.347 0.789 20 0 BCADMP CCO[C@H](C[NH2+]C[C@@H](OC)C1CC1)C[NH+](C)C ZINC000896876248 583844197 /nfs/dbraw/zinc/84/41/97/583844197.db2.gz CNHJURCBZOHIMO-CHWSQXEVSA-N 2 1 244.379 0.968 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183042 588937571 /nfs/dbraw/zinc/93/75/71/588937571.db2.gz RANWUSCPMQQYLQ-HBNTYKKESA-N 2 1 212.337 0.972 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981532 583932943 /nfs/dbraw/zinc/93/29/43/583932943.db2.gz JGKAZQOBRMKGBL-UTUOFQBUSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000897423683 583964693 /nfs/dbraw/zinc/96/46/93/583964693.db2.gz RKKPYAAXZUWIKM-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864453313 584005520 /nfs/dbraw/zinc/00/55/20/584005520.db2.gz UNKZIPYRTDCPHD-MXWKQRLJSA-N 2 1 224.352 0.851 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N[C@H]1C[C@H]1C)C1CC1 ZINC000864458274 584006877 /nfs/dbraw/zinc/00/68/77/584006877.db2.gz YALRSQTTWCTTEL-KOLCDFICSA-N 2 1 224.352 0.993 20 0 BCADMP C[C@H](NC(=[NH2+])NCC1([NH+](C)C)CC1)C1CC1 ZINC000899272852 584192215 /nfs/dbraw/zinc/19/22/15/584192215.db2.gz OWNVJHBENFPCLR-VIFPVBQESA-N 2 1 224.352 0.993 20 0 BCADMP Cc1[nH+]c(N)ccc1-c1cnn2c1C[NH2+]CC2 ZINC000899323016 584196590 /nfs/dbraw/zinc/19/65/90/584196590.db2.gz LWCVPZYUTOYJCE-UHFFFAOYSA-N 2 1 229.287 0.939 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)Cc1cnc[nH]1 ZINC000900694471 584339196 /nfs/dbraw/zinc/33/91/96/584339196.db2.gz IRDQPEIBFJWPBR-SECBINFHSA-N 2 1 224.308 0.409 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000900831618 584354696 /nfs/dbraw/zinc/35/46/96/584354696.db2.gz KCEDLNMJVPFPHL-SRVKXCTJSA-N 2 1 241.379 0.926 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000902325868 584560413 /nfs/dbraw/zinc/56/04/13/584560413.db2.gz AIBFYIXKOLMUQT-SNVBAGLBSA-N 2 1 248.392 0.399 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000902394299 584584179 /nfs/dbraw/zinc/58/41/79/584584179.db2.gz UPPZYNJZCZDJJC-VXGBXAGGSA-N 2 1 241.379 0.343 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CC2)[C@H](C)C1 ZINC000902416940 584591000 /nfs/dbraw/zinc/59/10/00/584591000.db2.gz PWVDGRHAPISZHQ-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP CCOC(=O)N1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902413249 584599302 /nfs/dbraw/zinc/59/93/02/584599302.db2.gz JMKBXQQPRRJPMB-UHFFFAOYSA-N 2 1 241.335 0.688 20 0 BCADMP COC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449429 584606231 /nfs/dbraw/zinc/60/62/31/584606231.db2.gz OGFFCOYSXORZRA-MNOVXSKESA-N 2 1 212.337 0.999 20 0 BCADMP Cn1cnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000902459048 584611104 /nfs/dbraw/zinc/61/11/04/584611104.db2.gz ATFTZYZAYKTBDV-MWLCHTKSSA-N 2 1 208.309 0.637 20 0 BCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902461222 584611768 /nfs/dbraw/zinc/61/17/68/584611768.db2.gz MQXPLNJSYQAOPR-LTHFHKMSSA-N 2 1 235.375 0.985 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)(C)n1cncn1 ZINC000902469212 584615661 /nfs/dbraw/zinc/61/56/61/584615661.db2.gz ZBXGXGMRGPMWRZ-WISYIIOYSA-N 2 1 249.362 0.884 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469278 584615701 /nfs/dbraw/zinc/61/57/01/584615701.db2.gz VNLUXSMFYWQZSE-UCKQBZRPSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469278 584615702 /nfs/dbraw/zinc/61/57/02/584615702.db2.gz VNLUXSMFYWQZSE-UCKQBZRPSA-N 2 1 235.375 0.857 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)(C)n1cncn1 ZINC000902470632 584616194 /nfs/dbraw/zinc/61/61/94/584616194.db2.gz ZBXGXGMRGPMWRZ-NNYUYHANSA-N 2 1 249.362 0.884 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000902513756 584619486 /nfs/dbraw/zinc/61/94/86/584619486.db2.gz HZANSLIONIIUAH-BDAKNGLRSA-N 2 1 225.292 0.152 20 0 BCADMP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902505453 584621333 /nfs/dbraw/zinc/62/13/33/584621333.db2.gz SNTYQUOOLYMMPR-YUSALJHKSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@H](N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000902485873 584625493 /nfs/dbraw/zinc/62/54/93/584625493.db2.gz AMPHXGWPSAFFIW-BJDJZHNGSA-N 2 1 211.353 0.844 20 0 BCADMP CNc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000902486909 584625737 /nfs/dbraw/zinc/62/57/37/584625737.db2.gz HTNVDIZSWNQBMJ-CQSZACIVSA-N 2 1 249.358 0.885 20 0 BCADMP CNc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000902486909 584625738 /nfs/dbraw/zinc/62/57/38/584625738.db2.gz HTNVDIZSWNQBMJ-CQSZACIVSA-N 2 1 249.358 0.885 20 0 BCADMP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902518462 584630717 /nfs/dbraw/zinc/63/07/17/584630717.db2.gz LMRBKGMFJOQEOG-YQFOFLOKSA-N 2 1 248.370 0.997 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424968 584764938 /nfs/dbraw/zinc/76/49/38/584764938.db2.gz NPJJDXGJQDOLIZ-LPWJVIDDSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424968 584764939 /nfs/dbraw/zinc/76/49/39/584764939.db2.gz NPJJDXGJQDOLIZ-LPWJVIDDSA-N 3 1 225.380 0.901 20 0 BCADMP CCN1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1=O ZINC000903457563 584765022 /nfs/dbraw/zinc/76/50/22/584765022.db2.gz XDAQUMYHEWVYGO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CCN1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1=O ZINC000903457563 584765023 /nfs/dbraw/zinc/76/50/23/584765023.db2.gz XDAQUMYHEWVYGO-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903424896 584765448 /nfs/dbraw/zinc/76/54/48/584765448.db2.gz KSXPDBGFSXBKMN-WHOHXGKFSA-N 3 1 211.353 0.783 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458975 584766151 /nfs/dbraw/zinc/76/61/51/584766151.db2.gz OTXISZDREIDENE-GRYCIOLGSA-N 3 1 227.352 0.163 20 0 BCADMP NC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458975 584766152 /nfs/dbraw/zinc/76/61/52/584766152.db2.gz OTXISZDREIDENE-GRYCIOLGSA-N 2 1 227.352 0.163 20 0 BCADMP NC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458975 584766153 /nfs/dbraw/zinc/76/61/53/584766153.db2.gz OTXISZDREIDENE-GRYCIOLGSA-N 2 1 227.352 0.163 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458890 584766220 /nfs/dbraw/zinc/76/62/20/584766220.db2.gz MKPDSNSECCTTJS-LPWJVIDDSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458890 584766222 /nfs/dbraw/zinc/76/62/22/584766222.db2.gz MKPDSNSECCTTJS-LPWJVIDDSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+](C)CC1(C)C ZINC000903464395 584767713 /nfs/dbraw/zinc/76/77/13/584767713.db2.gz LRVNQRFZYRGMNE-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(C)CC1(C)C ZINC000903464395 584767715 /nfs/dbraw/zinc/76/77/15/584767715.db2.gz LRVNQRFZYRGMNE-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C)CC1(C)C ZINC000903464395 584767717 /nfs/dbraw/zinc/76/77/17/584767717.db2.gz LRVNQRFZYRGMNE-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903443811 584768473 /nfs/dbraw/zinc/76/84/73/584768473.db2.gz IKOJLGQEIMFMEN-MNOVXSKESA-N 2 1 235.335 0.530 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903443811 584768474 /nfs/dbraw/zinc/76/84/74/584768474.db2.gz IKOJLGQEIMFMEN-MNOVXSKESA-N 2 1 235.335 0.530 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447324 584770863 /nfs/dbraw/zinc/77/08/63/584770863.db2.gz OKUHIPSJKSECEI-HTOAHKCRSA-N 3 1 237.391 0.901 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903449981 584771842 /nfs/dbraw/zinc/77/18/42/584771842.db2.gz ZBRPCPIYEZFNBY-XQQFMLRXSA-N 3 1 223.364 0.799 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456689 584773811 /nfs/dbraw/zinc/77/38/11/584773811.db2.gz IXWFPKSULUJNRC-NDBYEHHHSA-N 2 1 242.363 0.850 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCNC(=O)N(C)C ZINC000903456031 584774165 /nfs/dbraw/zinc/77/41/65/584774165.db2.gz CORSRZBHVMQDSW-MNOVXSKESA-N 2 1 242.367 0.045 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCNC(=O)N(C)C ZINC000903456031 584774166 /nfs/dbraw/zinc/77/41/66/584774166.db2.gz CORSRZBHVMQDSW-MNOVXSKESA-N 2 1 242.367 0.045 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000903457086 584774176 /nfs/dbraw/zinc/77/41/76/584774176.db2.gz MYACMCYNTCBMBA-WOPDTQHZSA-N 2 1 235.335 0.380 20 0 BCADMP COC(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472409 584775891 /nfs/dbraw/zinc/77/58/91/584775891.db2.gz YLWKROAMTUOVEP-SNVBAGLBSA-N 2 1 226.320 0.814 20 0 BCADMP c1nc2n(n1)[C@@H](C[NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000903472589 584775982 /nfs/dbraw/zinc/77/59/82/584775982.db2.gz SSLHMTJTNCSIKC-MNOVXSKESA-N 2 1 247.346 0.640 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000903481675 584777883 /nfs/dbraw/zinc/77/78/83/584777883.db2.gz JMAINDBORWTOHK-RYUDHWBXSA-N 2 1 242.363 0.912 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCn3nncc3C2)C1 ZINC000903482205 584778568 /nfs/dbraw/zinc/77/85/68/584778568.db2.gz ZGTDLDGCPFATNO-WDEREUQCSA-N 2 1 235.335 0.611 20 0 BCADMP CON1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000903482692 584778658 /nfs/dbraw/zinc/77/86/58/584778658.db2.gz PEXASRWXNKYBHG-NSHDSACASA-N 2 1 243.351 0.600 20 0 BCADMP Cc1nc([C@H]2CC[N@H+](CCC[NH3+])C2)no1 ZINC000903490848 584780867 /nfs/dbraw/zinc/78/08/67/584780867.db2.gz KGCSQTSUFDPORY-VIFPVBQESA-N 2 1 210.281 0.516 20 0 BCADMP Cc1nc([C@H]2CC[N@@H+](CCC[NH3+])C2)no1 ZINC000903490848 584780868 /nfs/dbraw/zinc/78/08/68/584780868.db2.gz KGCSQTSUFDPORY-VIFPVBQESA-N 2 1 210.281 0.516 20 0 BCADMP C[C@@H]1C[N@H+](CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556780 584782944 /nfs/dbraw/zinc/78/29/44/584782944.db2.gz DTUOINSTZZAWGF-NEPJUHHUSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556780 584782945 /nfs/dbraw/zinc/78/29/45/584782945.db2.gz DTUOINSTZZAWGF-NEPJUHHUSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H]1C[N@H+](CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556783 584783163 /nfs/dbraw/zinc/78/31/63/584783163.db2.gz DTUOINSTZZAWGF-VXGBXAGGSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556783 584783164 /nfs/dbraw/zinc/78/31/64/584783164.db2.gz DTUOINSTZZAWGF-VXGBXAGGSA-N 2 1 241.379 0.376 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716412 584791818 /nfs/dbraw/zinc/79/18/18/584791818.db2.gz MOGABGYLDVHWRL-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716412 584791819 /nfs/dbraw/zinc/79/18/19/584791819.db2.gz MOGABGYLDVHWRL-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716414 584791847 /nfs/dbraw/zinc/79/18/47/584791847.db2.gz MOGABGYLDVHWRL-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716414 584791848 /nfs/dbraw/zinc/79/18/48/584791848.db2.gz MOGABGYLDVHWRL-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718086 584792092 /nfs/dbraw/zinc/79/20/92/584792092.db2.gz ZJSMRKMVKGXEHU-RYUDHWBXSA-N 3 1 227.352 0.036 20 0 BCADMP CN(CCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718086 584792093 /nfs/dbraw/zinc/79/20/93/584792093.db2.gz ZJSMRKMVKGXEHU-RYUDHWBXSA-N 2 1 227.352 0.036 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718377 584792455 /nfs/dbraw/zinc/79/24/55/584792455.db2.gz LNYJIKSPHIFDFG-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718377 584792456 /nfs/dbraw/zinc/79/24/56/584792456.db2.gz LNYJIKSPHIFDFG-JHJVBQTASA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729721 584792949 /nfs/dbraw/zinc/79/29/49/584792949.db2.gz RHFQPHXWUQSNFW-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+]C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713433 584793415 /nfs/dbraw/zinc/79/34/15/584793415.db2.gz QFOROARBSZLXRV-QWHCGFSZSA-N 2 1 239.363 0.178 20 0 BCADMP O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712927 584793429 /nfs/dbraw/zinc/79/34/29/584793429.db2.gz VPNAACSISLSICX-GHMZBOCLSA-N 2 1 216.300 0.391 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CC([NH3+])C1 ZINC000903749586 584794909 /nfs/dbraw/zinc/79/49/09/584794909.db2.gz MKLJTJDZDRNAIP-IDWGSYCQSA-N 2 1 226.320 0.607 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C1CC([NH3+])C1 ZINC000903749586 584794910 /nfs/dbraw/zinc/79/49/10/584794910.db2.gz MKLJTJDZDRNAIP-IDWGSYCQSA-N 2 1 226.320 0.607 20 0 BCADMP C[N@@H+](Cc1ccccc1CF)C[C@@H](O)C[NH3+] ZINC000903751015 584795604 /nfs/dbraw/zinc/79/56/04/584795604.db2.gz BFWVVKSZPQRGEX-LBPRGKRZSA-N 2 1 226.295 0.908 20 0 BCADMP C[N@H+](Cc1ccccc1CF)C[C@@H](O)C[NH3+] ZINC000903751015 584795605 /nfs/dbraw/zinc/79/56/05/584795605.db2.gz BFWVVKSZPQRGEX-LBPRGKRZSA-N 2 1 226.295 0.908 20 0 BCADMP NC1(C[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743347 584796634 /nfs/dbraw/zinc/79/66/34/584796634.db2.gz IXKCMRCTZKPMCE-NEPJUHHUSA-N 2 1 239.363 0.226 20 0 BCADMP [NH3+]C1(CNC[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743347 584796635 /nfs/dbraw/zinc/79/66/35/584796635.db2.gz IXKCMRCTZKPMCE-NEPJUHHUSA-N 2 1 239.363 0.226 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765454 584797403 /nfs/dbraw/zinc/79/74/03/584797403.db2.gz HKAFTLYXVMGMLX-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763005 584797468 /nfs/dbraw/zinc/79/74/68/584797468.db2.gz GORKFAZZJOEQJS-UPJWGTAASA-N 2 1 240.347 0.212 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806637 584802715 /nfs/dbraw/zinc/80/27/15/584802715.db2.gz ZAVWZBCUMHRRKV-IJLUTSLNSA-N 2 1 244.404 0.914 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806637 584802716 /nfs/dbraw/zinc/80/27/16/584802716.db2.gz ZAVWZBCUMHRRKV-IJLUTSLNSA-N 2 1 244.404 0.914 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805085 584803037 /nfs/dbraw/zinc/80/30/37/584803037.db2.gz LPZZGDBSZHLXNN-SDDRHHMPSA-N 2 1 212.337 0.961 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805085 584803038 /nfs/dbraw/zinc/80/30/38/584803038.db2.gz LPZZGDBSZHLXNN-SDDRHHMPSA-N 2 1 212.337 0.961 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903830192 584805424 /nfs/dbraw/zinc/80/54/24/584805424.db2.gz VWRAMKHXQJUUNR-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@H]1CSCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903829390 584805538 /nfs/dbraw/zinc/80/55/38/584805538.db2.gz FQEDSPQLXKTIPM-LBPRGKRZSA-N 2 1 243.420 0.719 20 0 BCADMP O=C1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830349 584805607 /nfs/dbraw/zinc/80/56/07/584805607.db2.gz ZQIRDUYWPMYLIE-GFCCVEGCSA-N 2 1 239.363 0.588 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903830193 584805672 /nfs/dbraw/zinc/80/56/72/584805672.db2.gz VWRAMKHXQJUUNR-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cn[nH]c1)C2 ZINC000903838235 584806681 /nfs/dbraw/zinc/80/66/81/584806681.db2.gz ABWBMJOBXXTNQP-TUAOUCFPSA-N 2 1 220.320 0.764 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1F ZINC000903841050 584807164 /nfs/dbraw/zinc/80/71/64/584807164.db2.gz WIAJZQSAIGREJS-GRYCIOLGSA-N 2 1 230.327 0.781 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000903839454 584807200 /nfs/dbraw/zinc/80/72/00/584807200.db2.gz LCZYFXGNAJOBBQ-YYHQMBLXSA-N 3 1 223.364 0.925 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1F ZINC000903841052 584807326 /nfs/dbraw/zinc/80/73/26/584807326.db2.gz WIAJZQSAIGREJS-QJPTWQEYSA-N 2 1 230.327 0.781 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903843333 584807633 /nfs/dbraw/zinc/80/76/33/584807633.db2.gz IVKVHMLOWMOWIS-KXNHARMFSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CC[NH2+]C1)C2 ZINC000903843333 584807634 /nfs/dbraw/zinc/80/76/34/584807634.db2.gz IVKVHMLOWMOWIS-KXNHARMFSA-N 2 1 209.337 0.408 20 0 BCADMP NC[C@@]12CC[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850146 584808310 /nfs/dbraw/zinc/80/83/10/584808310.db2.gz KWAJNJBSVOBTFJ-STQMWFEESA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850146 584808311 /nfs/dbraw/zinc/80/83/11/584808311.db2.gz KWAJNJBSVOBTFJ-STQMWFEESA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850146 584808312 /nfs/dbraw/zinc/80/83/12/584808312.db2.gz KWAJNJBSVOBTFJ-STQMWFEESA-N 3 1 223.364 0.799 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858200 584809835 /nfs/dbraw/zinc/80/98/35/584809835.db2.gz HOJAKGAPOIEUQJ-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858200 584809836 /nfs/dbraw/zinc/80/98/36/584809836.db2.gz HOJAKGAPOIEUQJ-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858202 584809901 /nfs/dbraw/zinc/80/99/01/584809901.db2.gz HOJAKGAPOIEUQJ-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858202 584809902 /nfs/dbraw/zinc/80/99/02/584809902.db2.gz HOJAKGAPOIEUQJ-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858874 584810893 /nfs/dbraw/zinc/81/08/93/584810893.db2.gz JROHLZUXWDTKCK-YNEHKIRRSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858874 584810895 /nfs/dbraw/zinc/81/08/95/584810895.db2.gz JROHLZUXWDTKCK-YNEHKIRRSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858874 584810897 /nfs/dbraw/zinc/81/08/97/584810897.db2.gz JROHLZUXWDTKCK-YNEHKIRRSA-N 3 1 223.364 0.799 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863536 584812795 /nfs/dbraw/zinc/81/27/95/584812795.db2.gz NGAAGTSEJWOWSW-CYBMUJFWSA-N 3 1 223.364 0.814 20 0 BCADMP C(C1CC[NH2+]CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903863536 584812796 /nfs/dbraw/zinc/81/27/96/584812796.db2.gz NGAAGTSEJWOWSW-CYBMUJFWSA-N 2 1 223.364 0.814 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864093 584813340 /nfs/dbraw/zinc/81/33/40/584813340.db2.gz RCVKNLTZWKNDHU-GMTAPVOTSA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864093 584813342 /nfs/dbraw/zinc/81/33/42/584813342.db2.gz RCVKNLTZWKNDHU-GMTAPVOTSA-N 2 1 230.377 0.524 20 0 BCADMP OC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889064 584813726 /nfs/dbraw/zinc/81/37/26/584813726.db2.gz NUTOEOKICLIISA-WODVXLOZSA-N 2 1 224.348 0.831 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873511 584816234 /nfs/dbraw/zinc/81/62/34/584816234.db2.gz IZEIIAIFIDDISW-ODWCKFRGSA-N 3 1 223.364 0.798 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903882576 584818342 /nfs/dbraw/zinc/81/83/42/584818342.db2.gz OFNCKWUQBYERRL-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903883501 584818425 /nfs/dbraw/zinc/81/84/25/584818425.db2.gz IJVOPJYCIFYEKV-NSHDSACASA-N 2 1 235.335 0.797 20 0 BCADMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903883501 584818426 /nfs/dbraw/zinc/81/84/26/584818426.db2.gz IJVOPJYCIFYEKV-NSHDSACASA-N 2 1 235.335 0.797 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910563 584821478 /nfs/dbraw/zinc/82/14/78/584821478.db2.gz NWQFINJPISGBOC-GMSGAONNSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910563 584821479 /nfs/dbraw/zinc/82/14/79/584821479.db2.gz NWQFINJPISGBOC-GMSGAONNSA-N 2 1 235.278 0.166 20 0 BCADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC([NH3+])C1 ZINC000903918406 584822277 /nfs/dbraw/zinc/82/22/77/584822277.db2.gz YSWYQDCIMHZGMV-ACDMLXGOSA-N 3 1 223.364 0.939 20 0 BCADMP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC(N)C1 ZINC000903918406 584822278 /nfs/dbraw/zinc/82/22/78/584822278.db2.gz YSWYQDCIMHZGMV-ACDMLXGOSA-N 2 1 223.364 0.939 20 0 BCADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC(N)C1 ZINC000903918406 584822279 /nfs/dbraw/zinc/82/22/79/584822279.db2.gz YSWYQDCIMHZGMV-ACDMLXGOSA-N 2 1 223.364 0.939 20 0 BCADMP NC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903919602 584823366 /nfs/dbraw/zinc/82/33/66/584823366.db2.gz ORDKCJPRHOOILP-YOGCLGLASA-N 2 1 223.364 0.988 20 0 BCADMP N[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC000903932761 584824922 /nfs/dbraw/zinc/82/49/22/584824922.db2.gz GHESSUXWTSQLEM-ZLOUSURVSA-N 2 1 241.354 0.888 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903936072 584825974 /nfs/dbraw/zinc/82/59/74/584825974.db2.gz XUJXYECVLPOWIS-YHWZYXNKSA-N 3 1 241.379 0.424 20 0 BCADMP CC(C)(N)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918072 584827012 /nfs/dbraw/zinc/82/70/12/584827012.db2.gz RJDGIRPOEYUFNT-FGWVZKOKSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951353 584830543 /nfs/dbraw/zinc/83/05/43/584830543.db2.gz WPGQUQMRBSIZJC-RYUDHWBXSA-N 2 1 249.362 0.872 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903963703 584833629 /nfs/dbraw/zinc/83/36/29/584833629.db2.gz GLFBJNFFACWDBB-NOOOWODRSA-N 2 1 211.353 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000903964312 584834046 /nfs/dbraw/zinc/83/40/46/584834046.db2.gz JDUVUKAQVPBSRR-PWSUYJOCSA-N 2 1 249.362 0.488 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903964747 584834058 /nfs/dbraw/zinc/83/40/58/584834058.db2.gz POLDFPNEWQJIQX-KSSYENDESA-N 2 1 223.364 0.572 20 0 BCADMP CCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903964008 584834271 /nfs/dbraw/zinc/83/42/71/584834271.db2.gz DPSSIYPPMIZJJX-PWSUYJOCSA-N 2 1 222.336 0.848 20 0 BCADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964855 584834393 /nfs/dbraw/zinc/83/43/93/584834393.db2.gz SPKGBTGBOWVLGP-KOLCDFICSA-N 2 1 222.336 0.674 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903964749 584834554 /nfs/dbraw/zinc/83/45/54/584834554.db2.gz POLDFPNEWQJIQX-SYLRKERUSA-N 2 1 223.364 0.572 20 0 BCADMP CC[N@H+](CCC(N)=O)C[C@H]([NH3+])CC(F)F ZINC000903987116 584835931 /nfs/dbraw/zinc/83/59/31/584835931.db2.gz AIKOYWDGTPWPHW-SSDOTTSWSA-N 2 1 223.267 0.166 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]([NH3+])CC(F)F ZINC000903987116 584835933 /nfs/dbraw/zinc/83/59/33/584835933.db2.gz AIKOYWDGTPWPHW-SSDOTTSWSA-N 2 1 223.267 0.166 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903988173 584836054 /nfs/dbraw/zinc/83/60/54/584836054.db2.gz OPBQAPHAMOOMGU-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CN ZINC000904299773 584860556 /nfs/dbraw/zinc/86/05/56/584860556.db2.gz OBYASOOLPAVSCK-WISYIIOYSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000904299773 584860557 /nfs/dbraw/zinc/86/05/57/584860557.db2.gz OBYASOOLPAVSCK-WISYIIOYSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@@H](N)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299667 584860588 /nfs/dbraw/zinc/86/05/88/584860588.db2.gz LJRRUPYBYRQIKY-WISYIIOYSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299667 584860589 /nfs/dbraw/zinc/86/05/89/584860589.db2.gz LJRRUPYBYRQIKY-WISYIIOYSA-N 2 1 211.353 0.925 20 0 BCADMP Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000904300075 584860674 /nfs/dbraw/zinc/86/06/74/584860674.db2.gz VKVZLBVQRIGBSN-VIFPVBQESA-N 2 1 221.308 0.230 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nn1 ZINC000904300075 584860675 /nfs/dbraw/zinc/86/06/75/584860675.db2.gz VKVZLBVQRIGBSN-VIFPVBQESA-N 2 1 221.308 0.230 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299672 584860842 /nfs/dbraw/zinc/86/08/42/584860842.db2.gz LKDRJMCYYJFHKI-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299672 584860843 /nfs/dbraw/zinc/86/08/43/584860843.db2.gz LKDRJMCYYJFHKI-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP Nc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000904300074 584860852 /nfs/dbraw/zinc/86/08/52/584860852.db2.gz VKVZLBVQRIGBSN-SECBINFHSA-N 2 1 221.308 0.230 20 0 BCADMP Nc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)nn1 ZINC000904300074 584860853 /nfs/dbraw/zinc/86/08/53/584860853.db2.gz VKVZLBVQRIGBSN-SECBINFHSA-N 2 1 221.308 0.230 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000904302871 584861793 /nfs/dbraw/zinc/86/17/93/584861793.db2.gz ZWPFWGAYIRZVST-NAWOPXAZSA-N 3 1 223.364 0.783 20 0 BCADMP CCC[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301958 584862047 /nfs/dbraw/zinc/86/20/47/584862047.db2.gz QCBYSBGEHFNEEH-AOOOYVTPSA-N 2 1 214.309 0.609 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000904302717 584862341 /nfs/dbraw/zinc/86/23/41/584862341.db2.gz YBZGHARSHFKOBV-WCQGTBRESA-N 2 1 247.346 0.618 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307857 584862822 /nfs/dbraw/zinc/86/28/22/584862822.db2.gz XJVCSUOIMRQLAM-AEJSXWLSSA-N 2 1 212.293 0.361 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316447 584863151 /nfs/dbraw/zinc/86/31/51/584863151.db2.gz PMSNUZVRVPJZPP-OUAUKWLOSA-N 2 1 225.336 0.180 20 0 BCADMP CCC[N@H+](CC(=O)OCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312606 584863199 /nfs/dbraw/zinc/86/31/99/584863199.db2.gz LAGFYHLWDGHVNJ-PHIMTYICSA-N 2 1 228.336 0.999 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313573 584863266 /nfs/dbraw/zinc/86/32/66/584863266.db2.gz WOIPXGGINWRZFY-PHIMTYICSA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000904336905 584863377 /nfs/dbraw/zinc/86/33/77/584863377.db2.gz XXRCUDODJAVWSJ-OUAUKWLOSA-N 2 1 223.320 0.030 20 0 BCADMP CCC(=O)N1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313697 584863494 /nfs/dbraw/zinc/86/34/94/584863494.db2.gz XVRJMIDORKDZIG-TXEJJXNPSA-N 2 1 239.363 0.668 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313783 584863500 /nfs/dbraw/zinc/86/35/00/584863500.db2.gz JZHWVSUBGMGTIP-AXFHLTTASA-N 2 1 225.336 0.454 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321405 584863898 /nfs/dbraw/zinc/86/38/98/584863898.db2.gz YTZGAMWGOMXZEC-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@]1(C[N@@H+]2CCNC(=O)CC2)CCC[NH2+]C1 ZINC000904316577 584863972 /nfs/dbraw/zinc/86/39/72/584863972.db2.gz QDPLDWWBBVQJFF-GFCCVEGCSA-N 2 1 225.336 0.198 20 0 BCADMP C[C@@]1(C[N@H+]2CCNC(=O)CC2)CCC[NH2+]C1 ZINC000904316577 584863973 /nfs/dbraw/zinc/86/39/73/584863973.db2.gz QDPLDWWBBVQJFF-GFCCVEGCSA-N 2 1 225.336 0.198 20 0 BCADMP C[C@]1(C[N@@H+](CCO)CCCO)CCC[NH2+]C1 ZINC000904320503 584864266 /nfs/dbraw/zinc/86/42/66/584864266.db2.gz JNXSBJYSKVMUBP-LBPRGKRZSA-N 2 1 230.352 0.053 20 0 BCADMP COCC[N@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317486 584864341 /nfs/dbraw/zinc/86/43/41/584864341.db2.gz ZGAIYSQDDOBUHZ-LBPRGKRZSA-N 2 1 230.352 0.317 20 0 BCADMP COCC[N@@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317486 584864342 /nfs/dbraw/zinc/86/43/42/584864342.db2.gz ZGAIYSQDDOBUHZ-LBPRGKRZSA-N 2 1 230.352 0.317 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[C@H]1O ZINC000904327239 584865502 /nfs/dbraw/zinc/86/55/02/584865502.db2.gz ACLAPKPHVIISNX-WISYIIOYSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330093 584866063 /nfs/dbraw/zinc/86/60/63/584866063.db2.gz ZIORQYJWJNHBFT-NNYUYHANSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C(N)=O)C1 ZINC000904340153 584866534 /nfs/dbraw/zinc/86/65/34/584866534.db2.gz FEEBGGWRLBBDJH-UKKRHICBSA-N 2 1 225.336 0.310 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C(N)=O)C1 ZINC000904340152 584866611 /nfs/dbraw/zinc/86/66/11/584866611.db2.gz FEEBGGWRLBBDJH-MMWGEVLESA-N 2 1 225.336 0.310 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2c2cccnc2)C1 ZINC000904334010 584866788 /nfs/dbraw/zinc/86/67/88/584866788.db2.gz JEAQXFBBZQRKDU-YUTCNCBUSA-N 2 1 246.358 0.765 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2cccnc2)C1 ZINC000904334010 584866789 /nfs/dbraw/zinc/86/67/89/584866789.db2.gz JEAQXFBBZQRKDU-YUTCNCBUSA-N 2 1 246.358 0.765 20 0 BCADMP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342592 584867253 /nfs/dbraw/zinc/86/72/53/584867253.db2.gz LDSPHIDHEZXNSK-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342291 584867273 /nfs/dbraw/zinc/86/72/73/584867273.db2.gz CEMPNPIHEGGIOL-WYUUTHIRSA-N 2 1 228.336 0.459 20 0 BCADMP CC(C)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904340822 584867509 /nfs/dbraw/zinc/86/75/09/584867509.db2.gz FPJFLTFPYJKVBO-TXEJJXNPSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904340822 584867510 /nfs/dbraw/zinc/86/75/10/584867510.db2.gz FPJFLTFPYJKVBO-TXEJJXNPSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343476 584867852 /nfs/dbraw/zinc/86/78/52/584867852.db2.gz ULAAQXRUUDOKDU-PHIMTYICSA-N 2 1 220.320 0.688 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345656 584868439 /nfs/dbraw/zinc/86/84/39/584868439.db2.gz IGDKWMGYZHPLQK-FIQHERPVSA-N 2 1 211.353 0.748 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904350101 584868884 /nfs/dbraw/zinc/86/88/84/584868884.db2.gz IAAOXPDNYIXSIS-FRRDWIJNSA-N 3 1 223.364 0.799 20 0 BCADMP Nc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000904351054 584869628 /nfs/dbraw/zinc/86/96/28/584869628.db2.gz UKONBGJTZSDAAV-NSHDSACASA-N 2 1 235.335 0.762 20 0 BCADMP Nc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000904351054 584869630 /nfs/dbraw/zinc/86/96/30/584869630.db2.gz UKONBGJTZSDAAV-NSHDSACASA-N 2 1 235.335 0.762 20 0 BCADMP [NH3+]Cc1ccc(CNC[C@H]2C[NH2+]CCO2)cc1 ZINC000904371681 584873330 /nfs/dbraw/zinc/87/33/30/584873330.db2.gz QYKLLMGGYWXUJM-CYBMUJFWSA-N 2 1 235.331 0.223 20 0 BCADMP [NH3+]Cc1ccc(CN2CCNCC[NH2+]CC2)cc1 ZINC000904396565 584875468 /nfs/dbraw/zinc/87/54/68/584875468.db2.gz QWCWIUNTJSFGOU-UHFFFAOYSA-N 2 1 248.374 0.140 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000904377078 584875866 /nfs/dbraw/zinc/87/58/66/584875866.db2.gz JIDFDJWXAXVZDK-NNYUYHANSA-N 2 1 237.347 0.324 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N)nn1 ZINC000904378954 584876534 /nfs/dbraw/zinc/87/65/34/584876534.db2.gz NOQAJHRNYNTURT-SNVBAGLBSA-N 2 1 223.324 0.522 20 0 BCADMP N[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1F ZINC000904379798 584876570 /nfs/dbraw/zinc/87/65/70/584876570.db2.gz XGIGLJJVAUMNDQ-UTINFBMNSA-N 2 1 201.289 0.095 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000904379798 584876571 /nfs/dbraw/zinc/87/65/71/584876571.db2.gz XGIGLJJVAUMNDQ-UTINFBMNSA-N 2 1 201.289 0.095 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000904384696 584877439 /nfs/dbraw/zinc/87/74/39/584877439.db2.gz MEBUZRGPAKAOEN-WRWGMCAJSA-N 2 1 209.337 0.598 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000904405607 584878397 /nfs/dbraw/zinc/87/83/97/584878397.db2.gz KNQDSGQHINMIHY-NSHDSACASA-N 2 1 245.330 0.900 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406018 584878474 /nfs/dbraw/zinc/87/84/74/584878474.db2.gz NNNAVSPWVJMDFK-NSHDSACASA-N 2 1 249.362 0.713 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406976 584878681 /nfs/dbraw/zinc/87/86/81/584878681.db2.gz ZHRZLJDLFSGSKF-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@](N)(CO)C2)CC[NH2+]1 ZINC000904407324 584878914 /nfs/dbraw/zinc/87/89/14/584878914.db2.gz TXKNVNLLHJNSMO-UPJWGTAASA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@H](CN2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]1 ZINC000904407324 584878916 /nfs/dbraw/zinc/87/89/16/584878916.db2.gz TXKNVNLLHJNSMO-UPJWGTAASA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000904407603 584879109 /nfs/dbraw/zinc/87/91/09/584879109.db2.gz XITKNMYMCXFWBM-RKDXNWHRSA-N 3 1 221.295 0.640 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000904407603 584879110 /nfs/dbraw/zinc/87/91/10/584879110.db2.gz XITKNMYMCXFWBM-RKDXNWHRSA-N 3 1 221.295 0.640 20 0 BCADMP N[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407603 584879111 /nfs/dbraw/zinc/87/91/11/584879111.db2.gz XITKNMYMCXFWBM-RKDXNWHRSA-N 2 1 221.295 0.640 20 0 BCADMP N[C@H](CC(F)F)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407603 584879112 /nfs/dbraw/zinc/87/91/12/584879112.db2.gz XITKNMYMCXFWBM-RKDXNWHRSA-N 2 1 221.295 0.640 20 0 BCADMP Nc1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904407274 584879272 /nfs/dbraw/zinc/87/92/72/584879272.db2.gz SCKSREYESREWAC-QMMMGPOBSA-N 2 1 226.349 0.896 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409843 584879354 /nfs/dbraw/zinc/87/93/54/584879354.db2.gz JSIHHBJGDZLGKL-VHSXEESVSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1C[NH3+] ZINC000904411923 584879492 /nfs/dbraw/zinc/87/94/92/584879492.db2.gz QFDAXPVLBUBSJC-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP CCn1nccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420952 584882095 /nfs/dbraw/zinc/88/20/95/584882095.db2.gz ZLBJBUKMOONRCA-NWDGAFQWSA-N 2 1 234.347 0.944 20 0 BCADMP CCn1nccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420952 584882096 /nfs/dbraw/zinc/88/20/96/584882096.db2.gz ZLBJBUKMOONRCA-NWDGAFQWSA-N 2 1 234.347 0.944 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000904419415 584882102 /nfs/dbraw/zinc/88/21/02/584882102.db2.gz VDRZOBBTUJSSRH-MROQNXINSA-N 3 1 225.380 0.901 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000904420214 584882302 /nfs/dbraw/zinc/88/23/02/584882302.db2.gz GTYXPTWUAJDRRU-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000733367595 584947290 /nfs/dbraw/zinc/94/72/90/584947290.db2.gz GEVOKCJGCJXKCJ-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](C)CC2)CCC1 ZINC000758049259 585348681 /nfs/dbraw/zinc/34/86/81/585348681.db2.gz FBKATKYREKXWSF-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762652799 585434782 /nfs/dbraw/zinc/43/47/82/585434782.db2.gz ZFZURZAOYYVXKP-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762652799 585434783 /nfs/dbraw/zinc/43/47/83/585434783.db2.gz ZFZURZAOYYVXKP-QWHCGFSZSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778358344 585732318 /nfs/dbraw/zinc/73/23/18/585732318.db2.gz XVUMRVBIPLXTSA-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP CC[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778400994 585733800 /nfs/dbraw/zinc/73/38/00/585733800.db2.gz XAGHYDPYGUJMGQ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778400994 585733801 /nfs/dbraw/zinc/73/38/01/585733801.db2.gz XAGHYDPYGUJMGQ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327754 585922056 /nfs/dbraw/zinc/92/20/56/585922056.db2.gz RNQPHYPHRGVPAM-NEPJUHHUSA-N 2 1 235.331 0.973 20 0 BCADMP CC(C)[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788467934 585924850 /nfs/dbraw/zinc/92/48/50/585924850.db2.gz BNPWOLDAKBWFSZ-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000791564894 585984206 /nfs/dbraw/zinc/98/42/06/585984206.db2.gz BKXMZEWEHCOXSB-TUAOUCFPSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000791564894 585984207 /nfs/dbraw/zinc/98/42/07/585984207.db2.gz BKXMZEWEHCOXSB-TUAOUCFPSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000793934927 586029020 /nfs/dbraw/zinc/02/90/20/586029020.db2.gz ZWXUSJICWJFDQR-SDDRHHMPSA-N 2 1 239.363 0.347 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)nn1 ZINC000859313986 589030526 /nfs/dbraw/zinc/03/05/26/589030526.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)nn1 ZINC000859313986 589030528 /nfs/dbraw/zinc/03/05/28/589030528.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)nn1 ZINC000859313986 589030530 /nfs/dbraw/zinc/03/05/30/589030530.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 2 1 249.362 0.385 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)nn1 ZINC000859313986 589030532 /nfs/dbraw/zinc/03/05/32/589030532.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 2 1 249.362 0.385 20 0 BCADMP CON(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000799122892 586160237 /nfs/dbraw/zinc/16/02/37/586160237.db2.gz HMLXSASDDTVHSM-LLVKDONJSA-N 2 1 243.351 0.280 20 0 BCADMP CC[C@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890559 586831921 /nfs/dbraw/zinc/83/19/21/586831921.db2.gz UEWBPICAVKRKGB-SRVKXCTJSA-N 2 1 211.353 0.811 20 0 BCADMP CC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])OCCO1 ZINC000817918235 586832414 /nfs/dbraw/zinc/83/24/14/586832414.db2.gz XHHATTIVGBLZOD-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000817922831 586839908 /nfs/dbraw/zinc/83/99/08/586839908.db2.gz MTLPXDINJOBLBY-QWRGUYRKSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(C)n1)CC[NH2+]CC2 ZINC000818340468 586887607 /nfs/dbraw/zinc/88/76/07/586887607.db2.gz MLXHVTUTTRHCTE-NSHDSACASA-N 2 1 249.362 0.779 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000818586189 586903769 /nfs/dbraw/zinc/90/37/69/586903769.db2.gz TWDTXQXHIUUXRZ-SFYZADRCSA-N 2 1 247.289 0.050 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000818586187 586904306 /nfs/dbraw/zinc/90/43/06/586904306.db2.gz TWDTXQXHIUUXRZ-HTQZYQBOSA-N 2 1 247.289 0.050 20 0 BCADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC000819366517 586957894 /nfs/dbraw/zinc/95/78/94/586957894.db2.gz RDGQMJLSBMVOMH-NSHDSACASA-N 2 1 248.392 0.353 20 0 BCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000820296265 587041924 /nfs/dbraw/zinc/04/19/24/587041924.db2.gz SQFQUJVPVFCIBX-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000820296265 587041925 /nfs/dbraw/zinc/04/19/25/587041925.db2.gz SQFQUJVPVFCIBX-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP c1ncn2c1C[N@@H+](CCC1OCCO1)CC2 ZINC000821269514 587104436 /nfs/dbraw/zinc/10/44/36/587104436.db2.gz FDQFOOKRJKOJOM-UHFFFAOYSA-N 2 1 223.276 0.462 20 0 BCADMP c1ncn2c1CN(CCC1OCCO1)CC2 ZINC000821269514 587104437 /nfs/dbraw/zinc/10/44/37/587104437.db2.gz FDQFOOKRJKOJOM-UHFFFAOYSA-N 2 1 223.276 0.462 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822866983 587190036 /nfs/dbraw/zinc/19/00/36/587190036.db2.gz QYGFDWQUCRNWTL-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000822866983 587190037 /nfs/dbraw/zinc/19/00/37/587190037.db2.gz QYGFDWQUCRNWTL-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[NH+]2CCCC2)C1 ZINC000823101861 587202711 /nfs/dbraw/zinc/20/27/11/587202711.db2.gz WKLJTARHKTWRQZ-RYUDHWBXSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824898205 587292312 /nfs/dbraw/zinc/29/23/12/587292312.db2.gz IUSPJVIEXGLAAZ-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827329437 587375598 /nfs/dbraw/zinc/37/55/98/587375598.db2.gz GNTAYCMSKQRERW-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C(C)C ZINC000828318446 587434539 /nfs/dbraw/zinc/43/45/39/587434539.db2.gz PSYCDEGYJMIBRC-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000831970598 587640226 /nfs/dbraw/zinc/64/02/26/587640226.db2.gz JHQJIVLZYMIHQF-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970425 587640650 /nfs/dbraw/zinc/64/06/50/587640650.db2.gz HCLPMCACEOCPSV-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970404 587640715 /nfs/dbraw/zinc/64/07/15/587640715.db2.gz GBNZTTYDJVUGJF-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971450 587640788 /nfs/dbraw/zinc/64/07/88/587640788.db2.gz XTEBOWQVAWXULC-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000831970289 587640838 /nfs/dbraw/zinc/64/08/38/587640838.db2.gz BROFNXQTAJNSQU-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970841 587640864 /nfs/dbraw/zinc/64/08/64/587640864.db2.gz NBMRSLMHUYIKQN-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH3+] ZINC000834686246 587764363 /nfs/dbraw/zinc/76/43/63/587764363.db2.gz DTWPTNOAQTWIJT-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983083 587987930 /nfs/dbraw/zinc/98/79/30/587987930.db2.gz YVXCZLCFZFHUOT-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1CCOC1=O ZINC000842476423 588029533 /nfs/dbraw/zinc/02/95/33/588029533.db2.gz ODMIUDVDETWTNW-MXWKQRLJSA-N 2 1 241.335 0.415 20 0 BCADMP O=C([C@H]1CCC[N@H+](CCF)C1)N1CC[NH2+]CC1 ZINC000843346907 588101288 /nfs/dbraw/zinc/10/12/88/588101288.db2.gz POSYGADDTDYXDM-NSHDSACASA-N 2 1 243.326 0.100 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481585 588114581 /nfs/dbraw/zinc/11/45/81/588114581.db2.gz ZEDXZVSCYFSQPG-RKDXNWHRSA-N 2 1 247.289 0.052 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000844172514 588170646 /nfs/dbraw/zinc/17/06/46/588170646.db2.gz VAYWKUSLLYDSGY-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000844171894 588172059 /nfs/dbraw/zinc/17/20/59/588172059.db2.gz NZKAGLHUEIZYBR-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000844183049 588172263 /nfs/dbraw/zinc/17/22/63/588172263.db2.gz ONGXFOVZEZVKJO-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000844175159 588172471 /nfs/dbraw/zinc/17/24/71/588172471.db2.gz BSERAGHKKXYGRD-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848720948 588408234 /nfs/dbraw/zinc/40/82/34/588408234.db2.gz FNCVICHUNBXJAW-AXFHLTTASA-N 2 1 239.319 0.439 20 0 BCADMP CCN(CC)C(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996633 588422968 /nfs/dbraw/zinc/42/29/68/588422968.db2.gz LIQFRNHDEPTQQM-VIFPVBQESA-N 2 1 200.330 0.803 20 0 BCADMP CNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000848982447 588424255 /nfs/dbraw/zinc/42/42/55/588424255.db2.gz ANFHLXYYLBWAER-JTQLQIEISA-N 2 1 228.340 0.087 20 0 BCADMP Cc1[nH+]ccn1CCCNC1=[NH+]CCCN1C ZINC000848987504 588426513 /nfs/dbraw/zinc/42/65/13/588426513.db2.gz BRQDPZUELDBADD-UHFFFAOYSA-N 2 1 235.335 0.863 20 0 BCADMP CN(C)C(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000848992729 588427798 /nfs/dbraw/zinc/42/77/98/588427798.db2.gz RGMHLSAIGWNMIG-SECBINFHSA-N 2 1 210.325 0.557 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992670 588427813 /nfs/dbraw/zinc/42/78/13/588427813.db2.gz PGTSJMKGLVQOTG-VIFPVBQESA-N 2 1 210.325 0.605 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996621 588429154 /nfs/dbraw/zinc/42/91/54/588429154.db2.gz KRISKGMKYBUVLG-RKDXNWHRSA-N 2 1 200.330 0.849 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996618 588429026 /nfs/dbraw/zinc/42/90/26/588429026.db2.gz KRISKGMKYBUVLG-BDAKNGLRSA-N 2 1 200.330 0.849 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCSCC1)[NH+](C)C ZINC000848996564 588429306 /nfs/dbraw/zinc/42/93/06/588429306.db2.gz FWKFTTKZQUDKEX-SECBINFHSA-N 2 1 230.381 0.510 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NC[C@H]1CCCO1)C1CC1 ZINC000848997437 588429336 /nfs/dbraw/zinc/42/93/36/588429336.db2.gz IFQCZJMWZXOZHX-LLVKDONJSA-N 2 1 240.351 0.374 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NC[C@H]1CCCO1)C1CC1 ZINC000848997437 588429338 /nfs/dbraw/zinc/42/93/38/588429338.db2.gz IFQCZJMWZXOZHX-LLVKDONJSA-N 2 1 240.351 0.374 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997556 588429436 /nfs/dbraw/zinc/42/94/36/588429436.db2.gz PPJIWUDOMQZDGF-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997556 588429438 /nfs/dbraw/zinc/42/94/38/588429438.db2.gz PPJIWUDOMQZDGF-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP CCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000849000006 588430528 /nfs/dbraw/zinc/43/05/28/588430528.db2.gz FJEUBXJRILFQRI-UHFFFAOYSA-N 2 1 241.383 0.148 20 0 BCADMP CCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000849000006 588430530 /nfs/dbraw/zinc/43/05/30/588430530.db2.gz FJEUBXJRILFQRI-UHFFFAOYSA-N 2 1 241.383 0.148 20 0 BCADMP CCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000849000006 588430532 /nfs/dbraw/zinc/43/05/32/588430532.db2.gz FJEUBXJRILFQRI-UHFFFAOYSA-N 2 1 241.383 0.148 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000849005132 588432079 /nfs/dbraw/zinc/43/20/79/588432079.db2.gz ZEIYZHGJJRGDHD-JTQLQIEISA-N 2 1 224.352 0.947 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000849004682 588432291 /nfs/dbraw/zinc/43/22/91/588432291.db2.gz VPTCOKHBDAHCBH-NSHDSACASA-N 2 1 224.352 0.609 20 0 BCADMP CC(C)CCNC(=[NH2+])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019146 588438113 /nfs/dbraw/zinc/43/81/13/588438113.db2.gz LNBOYCVUQJNOAB-GFCCVEGCSA-N 2 1 242.367 0.213 20 0 BCADMP CC(C)CCNC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019147 588438267 /nfs/dbraw/zinc/43/82/67/588438267.db2.gz LNBOYCVUQJNOAB-LBPRGKRZSA-N 2 1 242.367 0.213 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC ZINC000849027720 588441271 /nfs/dbraw/zinc/44/12/71/588441271.db2.gz ITWVNCZPCNGBPM-JTQLQIEISA-N 2 1 212.341 0.995 20 0 BCADMP COCC[N@@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000849215578 588462429 /nfs/dbraw/zinc/46/24/29/588462429.db2.gz RIRMEOCJXQYPCI-UHFFFAOYSA-N 2 1 242.367 0.284 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000849350062 588475007 /nfs/dbraw/zinc/47/50/07/588475007.db2.gz JKUXUFFIYQANIJ-UHFFFAOYSA-N 2 1 249.358 0.856 20 0 BCADMP Cc1ncc(CNCC2(C)OCCCO2)n1C ZINC000850275920 588534094 /nfs/dbraw/zinc/53/40/94/588534094.db2.gz UIQBBRNRNFRAQP-UHFFFAOYSA-N 2 1 239.319 0.971 20 0 BCADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000109813208 588595963 /nfs/dbraw/zinc/59/59/63/588595963.db2.gz JZNYAFNDXHLFFP-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676745 588614595 /nfs/dbraw/zinc/61/45/95/588614595.db2.gz MHHJNKSVJAMIOA-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC1(C)OC[C@@H](CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732058 588619526 /nfs/dbraw/zinc/61/95/26/588619526.db2.gz IJIOPNDIZDYLJZ-GRYCIOLGSA-N 2 1 240.347 0.679 20 0 BCADMP COC(=O)[C@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000852729276 588698442 /nfs/dbraw/zinc/69/84/42/588698442.db2.gz CITRPIIIYSJFGJ-LBPRGKRZSA-N 2 1 244.310 0.573 20 0 BCADMP COC(=O)[C@@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000852729275 588698544 /nfs/dbraw/zinc/69/85/44/588698544.db2.gz CITRPIIIYSJFGJ-GFCCVEGCSA-N 2 1 244.310 0.573 20 0 BCADMP CC[C@@H](CC(F)F)C[N@H+](CC[NH3+])CCO ZINC000852746010 588698885 /nfs/dbraw/zinc/69/88/85/588698885.db2.gz CCZHOQOEHUDVAN-VIFPVBQESA-N 2 1 224.295 0.921 20 0 BCADMP CC[C@@H](CC(F)F)C[N@@H+](CC[NH3+])CCO ZINC000852746010 588698886 /nfs/dbraw/zinc/69/88/86/588698886.db2.gz CCZHOQOEHUDVAN-VIFPVBQESA-N 2 1 224.295 0.921 20 0 BCADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ncn1 ZINC000852743719 588699002 /nfs/dbraw/zinc/69/90/02/588699002.db2.gz ILMDIWQVOXXSIK-LLVKDONJSA-N 2 1 220.320 0.956 20 0 BCADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ncn1 ZINC000852743719 588699003 /nfs/dbraw/zinc/69/90/03/588699003.db2.gz ILMDIWQVOXXSIK-LLVKDONJSA-N 2 1 220.320 0.956 20 0 BCADMP FC(F)OCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000852750357 588700286 /nfs/dbraw/zinc/70/02/86/588700286.db2.gz RMJDFJLNFSRBJD-JTQLQIEISA-N 2 1 249.305 0.205 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852844214 588707590 /nfs/dbraw/zinc/70/75/90/588707590.db2.gz ACEHSYUWPIMVKC-AEJSXWLSSA-N 2 1 225.336 0.323 20 0 BCADMP CC[N@@H+](CCNC(=O)CC1([NH3+])CC1)C(C)C ZINC000852864930 588709438 /nfs/dbraw/zinc/70/94/38/588709438.db2.gz MLVRDDUWFPCCJO-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000852881622 588710911 /nfs/dbraw/zinc/71/09/11/588710911.db2.gz YSLUPUFGRXUHGI-HTQZYQBOSA-N 2 1 235.278 0.050 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000852900530 588712323 /nfs/dbraw/zinc/71/23/23/588712323.db2.gz XWAJWBRAHCKUJA-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000852900527 588712385 /nfs/dbraw/zinc/71/23/85/588712385.db2.gz XWAJWBRAHCKUJA-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861574885 589168982 /nfs/dbraw/zinc/16/89/82/589168982.db2.gz AHRPWGQPPVSZKG-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000861591902 589169516 /nfs/dbraw/zinc/16/95/16/589169516.db2.gz BYIHQLLKWXGAEH-HBNTYKKESA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000861591897 589169531 /nfs/dbraw/zinc/16/95/31/589169531.db2.gz BYIHQLLKWXGAEH-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000863481899 589292731 /nfs/dbraw/zinc/29/27/31/589292731.db2.gz NYTCJHOQVVKFRY-UHFFFAOYSA-N 2 1 235.331 0.988 20 0 BCADMP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000863542356 589296910 /nfs/dbraw/zinc/29/69/10/589296910.db2.gz QCGOJDWLQCEWBC-YUSALJHKSA-N 2 1 238.331 0.978 20 0 BCADMP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000863542353 589297148 /nfs/dbraw/zinc/29/71/48/589297148.db2.gz QCGOJDWLQCEWBC-MVWJERBFSA-N 2 1 238.331 0.978 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000863542887 589297275 /nfs/dbraw/zinc/29/72/75/589297275.db2.gz HYDUDQNOBIBPTF-NWDGAFQWSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]1CCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000863904984 589325077 /nfs/dbraw/zinc/32/50/77/589325077.db2.gz DUARCSOSMRGVNI-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000863904984 589325079 /nfs/dbraw/zinc/32/50/79/589325079.db2.gz DUARCSOSMRGVNI-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000864086428 589342401 /nfs/dbraw/zinc/34/24/01/589342401.db2.gz HZXQKRSQNKEJGR-UHFFFAOYSA-N 2 1 248.330 0.674 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864453466 589365628 /nfs/dbraw/zinc/36/56/28/589365628.db2.gz WMVZFYZQRVTHGQ-NSHDSACASA-N 2 1 224.352 0.852 20 0 BCADMP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000864457390 589367385 /nfs/dbraw/zinc/36/73/85/589367385.db2.gz SCPURTPGBXFWBD-YWVKMMECSA-N 2 1 224.352 0.991 20 0 BCADMP CCC(CC)NC(=[NH2+])NCC[NH+]1CCC1 ZINC000864461588 589369130 /nfs/dbraw/zinc/36/91/30/589369130.db2.gz QFHJVBJNSBOGFQ-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000864463951 589369859 /nfs/dbraw/zinc/36/98/59/589369859.db2.gz NZPUOKBTBBHGKI-BBBLOLIVSA-N 2 1 233.319 0.720 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000864464344 589370314 /nfs/dbraw/zinc/37/03/14/589370314.db2.gz VXJWDWIRAINVGS-GHMZBOCLSA-N 2 1 240.351 0.231 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000864464344 589370316 /nfs/dbraw/zinc/37/03/16/589370316.db2.gz VXJWDWIRAINVGS-GHMZBOCLSA-N 2 1 240.351 0.231 20 0 BCADMP CC[NH+](CC)Cc1cn(CC[NH+](C)C)nn1 ZINC000864624277 589384936 /nfs/dbraw/zinc/38/49/36/589384936.db2.gz WYWTVVSWDNFIGT-UHFFFAOYSA-N 2 1 225.340 0.682 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000866659490 589508052 /nfs/dbraw/zinc/50/80/52/589508052.db2.gz MNCCQHIUQCEIHX-MNOVXSKESA-N 2 1 235.335 0.436 20 0 BCADMP NC(=O)c1ccc(CC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000866659730 589508200 /nfs/dbraw/zinc/50/82/00/589508200.db2.gz SRHQIISFNQYQRD-GFCCVEGCSA-N 2 1 247.342 0.609 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(N)=O)C1 ZINC000866706640 589514408 /nfs/dbraw/zinc/51/44/08/589514408.db2.gz JDTQCENDHQIUHK-NSHDSACASA-N 2 1 213.325 0.169 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(N)=O)C1 ZINC000866706640 589514409 /nfs/dbraw/zinc/51/44/09/589514409.db2.gz JDTQCENDHQIUHK-NSHDSACASA-N 2 1 213.325 0.169 20 0 BCADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723969 589515646 /nfs/dbraw/zinc/51/56/46/589515646.db2.gz KLTKMMORSBSOTD-RWMBFGLXSA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723969 589515647 /nfs/dbraw/zinc/51/56/47/589515647.db2.gz KLTKMMORSBSOTD-RWMBFGLXSA-N 3 1 223.364 0.812 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](O)C1 ZINC000207704899 589593325 /nfs/dbraw/zinc/59/33/25/589593325.db2.gz OSOTXRIKYHGDCD-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](O)C1 ZINC000207704854 589593344 /nfs/dbraw/zinc/59/33/44/589593344.db2.gz OSOTXRIKYHGDCD-NSHDSACASA-N 2 1 200.326 0.962 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870878258 589693613 /nfs/dbraw/zinc/69/36/13/589693613.db2.gz FMPLEPWAGZJQFT-TXEJJXNPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000870907545 589696073 /nfs/dbraw/zinc/69/60/73/589696073.db2.gz YVSGLVHKLAHNFD-KKZNHRDASA-N 2 1 225.336 0.323 20 0 BCADMP C[NH+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870913760 589696698 /nfs/dbraw/zinc/69/66/98/589696698.db2.gz ALVKYBJBADJIAH-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000870981050 589704494 /nfs/dbraw/zinc/70/44/94/589704494.db2.gz FMFDSKMOAGJPCI-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000870982764 589705244 /nfs/dbraw/zinc/70/52/44/589705244.db2.gz PEGXUAWKFUXPFX-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983276 589705248 /nfs/dbraw/zinc/70/52/48/589705248.db2.gz URCQBMKJBQECQS-QJPTWQEYSA-N 2 1 239.363 0.395 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@@H]21 ZINC000870982258 589705307 /nfs/dbraw/zinc/70/53/07/589705307.db2.gz MDIJDXXCWBHZIH-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)CCOC ZINC000871603153 589773437 /nfs/dbraw/zinc/77/34/37/589773437.db2.gz HHCKDWINQFIKHZ-LLVKDONJSA-N 2 1 242.367 0.573 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)CCOC ZINC000871604270 589773856 /nfs/dbraw/zinc/77/38/56/589773856.db2.gz ZOYMFXXORCIBIR-NSHDSACASA-N 2 1 244.383 0.819 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153870 589884737 /nfs/dbraw/zinc/88/47/37/589884737.db2.gz LDPMMTOSXROELP-WCQYABFASA-N 2 1 239.363 0.396 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000872148859 589884893 /nfs/dbraw/zinc/88/48/93/589884893.db2.gz IKBUGRHTIXXMEG-QWHCGFSZSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000872153639 589885051 /nfs/dbraw/zinc/88/50/51/589885051.db2.gz FNRNIUVCAJDIJV-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP Cn1nnnc1CC[N@@H+](C)CCCCCC[NH3+] ZINC000872155961 589886549 /nfs/dbraw/zinc/88/65/49/589886549.db2.gz BMEVEXWBLDBGNJ-UHFFFAOYSA-N 2 1 240.355 0.204 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872196182 589889403 /nfs/dbraw/zinc/88/94/03/589889403.db2.gz DJDCOQAKDPZGLS-LLVKDONJSA-N 2 1 230.352 0.192 20 0 BCADMP CC[N@H+](CC[NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000873035297 589980791 /nfs/dbraw/zinc/98/07/91/589980791.db2.gz IECMKULWVALAIR-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CC[NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000873035297 589980792 /nfs/dbraw/zinc/98/07/92/589980792.db2.gz IECMKULWVALAIR-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]([NH2+]Cc1cnc(N)cn1)[C@@H]1CCC[NH2+]C1 ZINC000873210892 589994581 /nfs/dbraw/zinc/99/45/81/589994581.db2.gz RVVFZXJWEZFOMW-NXEZZACHSA-N 2 1 235.335 0.537 20 0 BCADMP Nc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000873210660 589995056 /nfs/dbraw/zinc/99/50/56/589995056.db2.gz NSDBYPFCARFRKI-UHFFFAOYSA-N 2 1 247.346 0.634 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N)cn1 ZINC000873214034 589997360 /nfs/dbraw/zinc/99/73/60/589997360.db2.gz VLEUUUWIBDPPPE-HTQZYQBOSA-N 2 1 209.297 0.274 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843086 589998024 /nfs/dbraw/zinc/99/80/24/589998024.db2.gz ZLTDINQZAPIVRO-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843086 589998026 /nfs/dbraw/zinc/99/80/26/589998026.db2.gz ZLTDINQZAPIVRO-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000873221845 589999460 /nfs/dbraw/zinc/99/94/60/589999460.db2.gz RNEAODFPDDCLAS-CEUNDQEZSA-N 2 1 235.375 0.764 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999979 /nfs/dbraw/zinc/99/99/79/589999979.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 1 247.346 0.585 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000873248688 590007536 /nfs/dbraw/zinc/00/75/36/590007536.db2.gz DOJLAMDPNRNJCK-WYUUTHIRSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873251209 590007930 /nfs/dbraw/zinc/00/79/30/590007930.db2.gz KGLJNMWLYHXWJE-XQHKEYJVSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000873254811 590010033 /nfs/dbraw/zinc/01/00/33/590010033.db2.gz BEDGFMGGTHTRSE-DDHJBXDOSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000873254811 590010031 /nfs/dbraw/zinc/01/00/31/590010031.db2.gz BEDGFMGGTHTRSE-DDHJBXDOSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873271149 590015901 /nfs/dbraw/zinc/01/59/01/590015901.db2.gz FFKIDKBPSUTFHG-WCQGTBRESA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272406 590016367 /nfs/dbraw/zinc/01/63/67/590016367.db2.gz RVEKBRDWAVUCFY-MDZLAQPJSA-N 3 1 225.380 0.962 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874125469 590092931 /nfs/dbraw/zinc/09/29/31/590092931.db2.gz XUUGVTJMWBQIJC-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874446341 590111184 /nfs/dbraw/zinc/11/11/84/590111184.db2.gz HJASWWBNQUIFBY-UHFFFAOYSA-N 2 1 239.363 0.636 20 0 BCADMP CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524041 590118669 /nfs/dbraw/zinc/11/86/69/590118669.db2.gz IFLFSRLSJVVZIM-WAAKLRNESA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876732608 590233951 /nfs/dbraw/zinc/23/39/51/590233951.db2.gz AWRGAOXEDCFLNT-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876733821 590234187 /nfs/dbraw/zinc/23/41/87/590234187.db2.gz IKHMPZRHNKRLFN-GARJFASQSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876733820 590234356 /nfs/dbraw/zinc/23/43/56/590234356.db2.gz IKHMPZRHNKRLFN-DCAQKATOSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876732606 590234452 /nfs/dbraw/zinc/23/44/52/590234452.db2.gz AWRGAOXEDCFLNT-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737455 590234780 /nfs/dbraw/zinc/23/47/80/590234780.db2.gz QWADFSUOYIZTLG-GXSJLCMTSA-N 2 1 243.326 0.144 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC1C[NH2+]C1)C(C)C ZINC000876748888 590236816 /nfs/dbraw/zinc/23/68/16/590236816.db2.gz IXLPQZXDCHHADH-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000876748363 590236842 /nfs/dbraw/zinc/23/68/42/590236842.db2.gz CFWWBRSUVXSEHU-GFCCVEGCSA-N 2 1 239.363 0.880 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876789514 590241613 /nfs/dbraw/zinc/24/16/13/590241613.db2.gz CQSRBJVHJLPJPW-VHSXEESVSA-N 2 1 225.336 0.134 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000876806289 590244968 /nfs/dbraw/zinc/24/49/68/590244968.db2.gz NAIXVVVTEZXDEX-TXEJJXNPSA-N 2 1 239.363 0.668 20 0 BCADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1cnc[nH]1 ZINC000876882504 590253085 /nfs/dbraw/zinc/25/30/85/590253085.db2.gz JTIOERFAVGMCNV-XOULXFPDSA-N 2 1 234.303 0.582 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103921 590284045 /nfs/dbraw/zinc/28/40/45/590284045.db2.gz WUNAYMQSOVPWBY-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000877250924 590303580 /nfs/dbraw/zinc/30/35/80/590303580.db2.gz UISCTNDRLRNODL-UWVGGRQHSA-N 2 1 223.320 0.030 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@@H]21 ZINC000877250160 590303689 /nfs/dbraw/zinc/30/36/89/590303689.db2.gz OFDRZGDITVIPCO-MNOVXSKESA-N 2 1 237.347 0.420 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@H]21 ZINC000877248881 590303918 /nfs/dbraw/zinc/30/39/18/590303918.db2.gz FZRQFUUYMUCGKB-LBELIVKGSA-N 2 1 249.358 0.004 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272932 590305369 /nfs/dbraw/zinc/30/53/69/590305369.db2.gz LTHRLDFXVSCJPB-RYUDHWBXSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272933 590305539 /nfs/dbraw/zinc/30/55/39/590305539.db2.gz LTHRLDFXVSCJPB-VXGBXAGGSA-N 2 1 248.330 0.544 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285084 590306851 /nfs/dbraw/zinc/30/68/51/590306851.db2.gz XSLFGAMKMGGBAM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285083 590306865 /nfs/dbraw/zinc/30/68/65/590306865.db2.gz XSLFGAMKMGGBAM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451500 590330139 /nfs/dbraw/zinc/33/01/39/590330139.db2.gz OTFKHKBOYUATMO-MXWKQRLJSA-N 2 1 223.320 0.043 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000879571484 590808307 /nfs/dbraw/zinc/80/83/07/590808307.db2.gz AIAYAFXGQCHZBU-ZIAGYGMSSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000879571484 590808313 /nfs/dbraw/zinc/80/83/13/590808313.db2.gz AIAYAFXGQCHZBU-ZIAGYGMSSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000879571484 590808315 /nfs/dbraw/zinc/80/83/15/590808315.db2.gz AIAYAFXGQCHZBU-ZIAGYGMSSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000879571484 590808319 /nfs/dbraw/zinc/80/83/19/590808319.db2.gz AIAYAFXGQCHZBU-ZIAGYGMSSA-N 2 1 248.374 0.989 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573770 590810928 /nfs/dbraw/zinc/81/09/28/590810928.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573770 590810929 /nfs/dbraw/zinc/81/09/29/590810929.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573770 590810930 /nfs/dbraw/zinc/81/09/30/590810930.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP COC(C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879579661 590817432 /nfs/dbraw/zinc/81/74/32/590817432.db2.gz ARDCYQUECBFKDA-MNOVXSKESA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879579661 590817437 /nfs/dbraw/zinc/81/74/37/590817437.db2.gz ARDCYQUECBFKDA-MNOVXSKESA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879579661 590817438 /nfs/dbraw/zinc/81/74/38/590817438.db2.gz ARDCYQUECBFKDA-MNOVXSKESA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879579661 590817441 /nfs/dbraw/zinc/81/74/41/590817441.db2.gz ARDCYQUECBFKDA-MNOVXSKESA-N 2 1 228.336 0.631 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3OCCO3)CC[C@H]21 ZINC000879581636 590819738 /nfs/dbraw/zinc/81/97/38/590819738.db2.gz NIHNTERLROUKOL-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCC3OCCO3)CC[C@H]21 ZINC000879581636 590819739 /nfs/dbraw/zinc/81/97/39/590819739.db2.gz NIHNTERLROUKOL-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCC3OCCO3)CC[C@H]21 ZINC000879581636 590819740 /nfs/dbraw/zinc/81/97/40/590819740.db2.gz NIHNTERLROUKOL-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3OCCO3)CC[C@H]21 ZINC000879581636 590819741 /nfs/dbraw/zinc/81/97/41/590819741.db2.gz NIHNTERLROUKOL-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582022 590821003 /nfs/dbraw/zinc/82/10/03/590821003.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582022 590821007 /nfs/dbraw/zinc/82/10/07/590821007.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582022 590821011 /nfs/dbraw/zinc/82/10/11/590821011.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 2 1 228.336 0.020 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821139 /nfs/dbraw/zinc/82/11/39/590821139.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821144 /nfs/dbraw/zinc/82/11/44/590821144.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821147 /nfs/dbraw/zinc/82/11/47/590821147.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 2 1 224.348 0.783 20 0 BCADMP Cn1cncc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583358 590822082 /nfs/dbraw/zinc/82/20/82/590822082.db2.gz YCKOBWYCQXIFIX-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583358 590822086 /nfs/dbraw/zinc/82/20/86/590822086.db2.gz YCKOBWYCQXIFIX-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583358 590822089 /nfs/dbraw/zinc/82/20/89/590822089.db2.gz YCKOBWYCQXIFIX-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583358 590822092 /nfs/dbraw/zinc/82/20/92/590822092.db2.gz YCKOBWYCQXIFIX-GXTWGEPZSA-N 2 1 248.374 0.989 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695109 590850644 /nfs/dbraw/zinc/85/06/44/590850644.db2.gz FNDRZBQDJOIEME-BETUJISGSA-N 2 1 244.379 0.251 20 0 BCADMP CC[N@@H+]1[C@H](C)CN(C(=O)CN(C)C)C[C@@H]1C ZINC000880609513 591109589 /nfs/dbraw/zinc/10/95/89/591109589.db2.gz XXYJAGWVPNUNME-PHIMTYICSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@@H+]1[C@H](C)CN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000880609513 591109594 /nfs/dbraw/zinc/10/95/94/591109594.db2.gz XXYJAGWVPNUNME-PHIMTYICSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000882486350 591360313 /nfs/dbraw/zinc/36/03/13/591360313.db2.gz QMJCZTULLRQKGA-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000882486350 591360316 /nfs/dbraw/zinc/36/03/16/591360316.db2.gz QMJCZTULLRQKGA-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000882486350 591360318 /nfs/dbraw/zinc/36/03/18/591360318.db2.gz QMJCZTULLRQKGA-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000882484646 591360761 /nfs/dbraw/zinc/36/07/61/591360761.db2.gz IZCJDEHQYHURKH-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000882484646 591360765 /nfs/dbraw/zinc/36/07/65/591360765.db2.gz IZCJDEHQYHURKH-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000882484646 591360770 /nfs/dbraw/zinc/36/07/70/591360770.db2.gz IZCJDEHQYHURKH-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000882486280 591362121 /nfs/dbraw/zinc/36/21/21/591362121.db2.gz PCROKQZMKMVLCI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000882486280 591362125 /nfs/dbraw/zinc/36/21/25/591362125.db2.gz PCROKQZMKMVLCI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000882486280 591362128 /nfs/dbraw/zinc/36/21/28/591362128.db2.gz PCROKQZMKMVLCI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000882486936 591363712 /nfs/dbraw/zinc/36/37/12/591363712.db2.gz YPZKLKKCSPWHQJ-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC)[NH+](C)C ZINC000882489209 591367583 /nfs/dbraw/zinc/36/75/83/591367583.db2.gz OMUNATTZFBPTIO-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000882493041 591373308 /nfs/dbraw/zinc/37/33/08/591373308.db2.gz XJLHQKRYFWKAJR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000882493041 591373311 /nfs/dbraw/zinc/37/33/11/591373311.db2.gz XJLHQKRYFWKAJR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000882493041 591373315 /nfs/dbraw/zinc/37/33/15/591373315.db2.gz XJLHQKRYFWKAJR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000882496140 591377316 /nfs/dbraw/zinc/37/73/16/591377316.db2.gz PEBNNXYYJBTJBJ-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCN1CCOCC1 ZINC000212543531 591413446 /nfs/dbraw/zinc/41/34/46/591413446.db2.gz JFQOBQOLCAVOIE-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCN1CCOCC1 ZINC000212543531 591413443 /nfs/dbraw/zinc/41/34/43/591413443.db2.gz JFQOBQOLCAVOIE-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000214349131 591550176 /nfs/dbraw/zinc/55/01/76/591550176.db2.gz NHAJOYNDNATXMF-WUWIAWFRSA-N 2 1 245.754 0.526 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883418186 591654081 /nfs/dbraw/zinc/65/40/81/591654081.db2.gz ZXZIBVFMCHRWGL-GFCCVEGCSA-N 2 1 242.363 0.995 20 0 BCADMP Cc1nonc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424107 591659153 /nfs/dbraw/zinc/65/91/53/591659153.db2.gz GHZAKHADQQRSHU-UHFFFAOYSA-N 2 1 236.319 0.954 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCN1CCOC1=O ZINC000883429957 591662286 /nfs/dbraw/zinc/66/22/86/591662286.db2.gz KBAIOMHEGWMWRN-VIFPVBQESA-N 2 1 229.324 0.402 20 0 BCADMP CC(C)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000883439452 591668599 /nfs/dbraw/zinc/66/85/99/591668599.db2.gz RXFLHSFOPOFGHB-RWMBFGLXSA-N 2 1 243.370 0.958 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CF)C1 ZINC000883447536 591671532 /nfs/dbraw/zinc/67/15/32/591671532.db2.gz DZHBCSYFOHKUCR-ZJUUUORDSA-N 2 1 204.289 0.248 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461158 591674712 /nfs/dbraw/zinc/67/47/12/591674712.db2.gz OWCPSWAALDXYTK-FRRDWIJNSA-N 2 1 242.363 0.722 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873858 591744784 /nfs/dbraw/zinc/74/47/84/591744784.db2.gz HFNDKUBMEPMVOU-QJPTWQEYSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888834 591745505 /nfs/dbraw/zinc/74/55/05/591745505.db2.gz LFCLZMVLVCROBQ-AXFHLTTASA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000133435020 591792359 /nfs/dbraw/zinc/79/23/59/591792359.db2.gz WZACGJLFDVMSOC-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000133802684 591860750 /nfs/dbraw/zinc/86/07/50/591860750.db2.gz RYCJRWYCGNIXDC-UHFFFAOYSA-N 2 1 244.379 0.251 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884206778 591873662 /nfs/dbraw/zinc/87/36/62/591873662.db2.gz DUDPGMJNJLGBFP-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+][C@H](CC1CC1)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000884289936 591894777 /nfs/dbraw/zinc/89/47/77/591894777.db2.gz NLRPMRSKAADEFN-BDAKNGLRSA-N 2 1 247.289 0.179 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884325288 591905003 /nfs/dbraw/zinc/90/50/03/591905003.db2.gz MZNDRJZWMMDTHB-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358337 591911455 /nfs/dbraw/zinc/91/14/55/591911455.db2.gz OZDOGFVPWOYYEJ-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884366298 591917091 /nfs/dbraw/zinc/91/70/91/591917091.db2.gz XKAUOKFFPXJGJS-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1CC[C@H](NC(=O)c2ncoc2C[NH3+])C[NH2+]1 ZINC000884438059 591934636 /nfs/dbraw/zinc/93/46/36/591934636.db2.gz UGEMMOPMRXRILJ-YUMQZZPRSA-N 2 1 238.291 0.004 20 0 BCADMP Cc1nc(C)c(C)c(NCC[N@@H+](C)CCO)n1 ZINC000884824875 592018100 /nfs/dbraw/zinc/01/81/00/592018100.db2.gz TZTJYTZUYPVFLM-UHFFFAOYSA-N 2 1 238.335 0.738 20 0 BCADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000137383805 592175952 /nfs/dbraw/zinc/17/59/52/592175952.db2.gz SZDVZKMMXRMNKV-CMPLNLGQSA-N 2 1 237.347 0.467 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886826982 592351048 /nfs/dbraw/zinc/35/10/48/592351048.db2.gz BBOOSSBZJZEEJZ-TUAOUCFPSA-N 2 1 210.321 0.694 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886841382 592362957 /nfs/dbraw/zinc/36/29/57/592362957.db2.gz JNKWDWIGOHQTJC-STQMWFEESA-N 2 1 242.363 0.581 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886841887 592363176 /nfs/dbraw/zinc/36/31/76/592363176.db2.gz ZKBDVKWXQLZVHZ-IGQOVBAYSA-N 2 1 236.359 0.954 20 0 BCADMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874565 592375993 /nfs/dbraw/zinc/37/59/93/592375993.db2.gz QLHJLCKPURHJCM-PWSUYJOCSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874565 592375998 /nfs/dbraw/zinc/37/59/98/592375998.db2.gz QLHJLCKPURHJCM-PWSUYJOCSA-N 2 1 225.336 0.326 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874315 592378059 /nfs/dbraw/zinc/37/80/59/592378059.db2.gz LKBGHJALSHZIMU-YPMHNXCESA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874315 592378063 /nfs/dbraw/zinc/37/80/63/592378063.db2.gz LKBGHJALSHZIMU-YPMHNXCESA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@H](C)[C@H]([NH2+]CCc1c[nH+]cn1C)C(N)=O ZINC000887056032 592433003 /nfs/dbraw/zinc/43/30/03/592433003.db2.gz XJPJOBORAJTXKB-ONGXEEELSA-N 2 1 238.335 0.452 20 0 BCADMP C[N@@H+]1CC=C(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887356408 592488413 /nfs/dbraw/zinc/48/84/13/592488413.db2.gz BRIHVHJSPJWLON-UHFFFAOYSA-N 2 1 232.278 0.627 20 0 BCADMP [NH2+]=C(NCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000887358260 592489609 /nfs/dbraw/zinc/48/96/09/592489609.db2.gz YSNHYBMZWSCZCW-JTQLQIEISA-N 2 1 233.319 0.722 20 0 BCADMP CC1CC[NH+](Cc2cn(CCC[NH3+])nn2)CC1 ZINC000887409598 592503162 /nfs/dbraw/zinc/50/31/62/592503162.db2.gz PAZQZTSOXRMPMM-UHFFFAOYSA-N 2 1 237.351 0.859 20 0 BCADMP C[C@@H]1C[N@@H+](CCCCCCO)C[C@H]1[NH3+] ZINC000300334409 592507119 /nfs/dbraw/zinc/50/71/19/592507119.db2.gz NFXFYBCZYJKODP-GHMZBOCLSA-N 2 1 200.326 0.818 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[N@H+]1C ZINC000302708632 592552233 /nfs/dbraw/zinc/55/22/33/592552233.db2.gz XNUOOYHIHAKRRA-JLLWLGSASA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000302692019 592552245 /nfs/dbraw/zinc/55/22/45/592552245.db2.gz SUNUMUCTTDTFTE-JQWIXIFHSA-N 2 1 237.347 0.467 20 0 BCADMP C1=CC[N@H+](CCNC2=[NH+]CCCCN2)CC1 ZINC000829301918 592707814 /nfs/dbraw/zinc/70/78/14/592707814.db2.gz NCLXLQJHIZHKJT-UHFFFAOYSA-N 2 1 222.336 0.577 20 0 BCADMP C1=CC[N@@H+](CCNC2=[NH+]CCCCN2)CC1 ZINC000829301918 592707816 /nfs/dbraw/zinc/70/78/16/592707816.db2.gz NCLXLQJHIZHKJT-UHFFFAOYSA-N 2 1 222.336 0.577 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925705898 634388970 /nfs/dbraw/zinc/38/89/70/634388970.db2.gz IYOVYNWXPFQPBN-QJPTWQEYSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000925705898 634388975 /nfs/dbraw/zinc/38/89/75/634388975.db2.gz IYOVYNWXPFQPBN-QJPTWQEYSA-N 2 1 223.364 0.859 20 0 BCADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)[C@@H]1CCOC1 ZINC000925710902 634408761 /nfs/dbraw/zinc/40/87/61/634408761.db2.gz CHLSHCNEEIHVDD-UTUOFQBUSA-N 2 1 242.363 0.768 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925719419 634456814 /nfs/dbraw/zinc/45/68/14/634456814.db2.gz ROQLVSUIIVTNCU-XNBXPENISA-N 2 1 235.375 0.667 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000257717874 634479062 /nfs/dbraw/zinc/47/90/62/634479062.db2.gz SHEYNKMZALXDLY-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257717872 634479699 /nfs/dbraw/zinc/47/96/99/634479699.db2.gz SHEYNKMZALXDLY-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098137 634564969 /nfs/dbraw/zinc/56/49/69/634564969.db2.gz RXEWJOVHDZXXNO-VHSXEESVSA-N 2 1 236.319 0.956 20 0 BCADMP COC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219293237 635274551 /nfs/dbraw/zinc/27/45/51/635274551.db2.gz SAIXYFPOHDTXJT-PSEXLTFBSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063612 635480035 /nfs/dbraw/zinc/48/00/35/635480035.db2.gz YVSJVXKBBOTJBT-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858785 635550668 /nfs/dbraw/zinc/55/06/68/635550668.db2.gz CXAKGCZNEKNUJC-FRRDWIJNSA-N 2 1 239.363 0.648 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H](C)C[NH3+] ZINC000237599540 635616913 /nfs/dbraw/zinc/61/69/13/635616913.db2.gz AJSGNJFKFMNOQR-SNVBAGLBSA-N 2 1 238.335 0.777 20 0 BCADMP C[C@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000925877607 635602172 /nfs/dbraw/zinc/60/21/72/635602172.db2.gz KIPBNLKTOOGRBF-AAEUAGOBSA-N 2 1 242.363 0.912 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001022293536 631463471 /nfs/dbraw/zinc/46/34/71/631463471.db2.gz UJNMXMARYCDPEM-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933732687 631493759 /nfs/dbraw/zinc/49/37/59/631493759.db2.gz AUYUZCAKJMRLLM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933732687 631493766 /nfs/dbraw/zinc/49/37/66/631493766.db2.gz AUYUZCAKJMRLLM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933732687 631493770 /nfs/dbraw/zinc/49/37/70/631493770.db2.gz AUYUZCAKJMRLLM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933733589 631494269 /nfs/dbraw/zinc/49/42/69/631494269.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933733589 631494275 /nfs/dbraw/zinc/49/42/75/631494275.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933733589 631494281 /nfs/dbraw/zinc/49/42/81/631494281.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735720 631557544 /nfs/dbraw/zinc/55/75/44/631557544.db2.gz ZUYYQPGKNOMMSW-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735720 631557546 /nfs/dbraw/zinc/55/75/46/631557546.db2.gz ZUYYQPGKNOMMSW-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP OC[C@@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@H]1CO ZINC000934016096 631610134 /nfs/dbraw/zinc/61/01/34/631610134.db2.gz DYPOZGMMIXEUJK-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@H]1CO ZINC000934028232 631625924 /nfs/dbraw/zinc/62/59/24/631625924.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1CO ZINC000934028232 631625928 /nfs/dbraw/zinc/62/59/28/631625928.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1CO ZINC000934028232 631625933 /nfs/dbraw/zinc/62/59/33/631625933.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]1CO ZINC000934028232 631625945 /nfs/dbraw/zinc/62/59/45/631625945.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]1CO ZINC000934028232 631625952 /nfs/dbraw/zinc/62/59/52/631625952.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000308823529 631675317 /nfs/dbraw/zinc/67/53/17/631675317.db2.gz CUYUUTPMRLDVOK-SECBINFHSA-N 2 1 214.309 0.622 20 0 BCADMP C[N@H+]1CCN(C(=O)NC/C=C\C[NH3+])CC1(C)C ZINC000892122362 631736317 /nfs/dbraw/zinc/73/63/17/631736317.db2.gz NHMKDYOSZXKTPP-PLNGDYQASA-N 2 1 240.351 0.237 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000892244201 631811126 /nfs/dbraw/zinc/81/11/26/631811126.db2.gz IBHKSCHRLZPSJK-NSHDSACASA-N 2 1 240.351 0.071 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235128086 632036605 /nfs/dbraw/zinc/03/66/05/632036605.db2.gz HMWBRPMODOEJOC-QWRGUYRKSA-N 2 1 208.309 0.613 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022977056 632093457 /nfs/dbraw/zinc/09/34/57/632093457.db2.gz STANTNKPTYXGFE-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251941066 635705949 /nfs/dbraw/zinc/70/59/49/635705949.db2.gz SMCCBDBBJSPTQV-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086555 632125507 /nfs/dbraw/zinc/12/55/07/632125507.db2.gz PELUPSZZGRUGHA-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000309482880 632418789 /nfs/dbraw/zinc/41/87/89/632418789.db2.gz XAVDCGNRPGQMSB-GFCCVEGCSA-N 2 1 227.352 0.716 20 0 BCADMP CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CCC[N@H+]1C ZINC000309167654 632658974 /nfs/dbraw/zinc/65/89/74/632658974.db2.gz ABKNWAOSAUZZIC-NXEZZACHSA-N 2 1 235.322 0.995 20 0 BCADMP C[C@@H](CCO)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309811657 632672640 /nfs/dbraw/zinc/67/26/40/632672640.db2.gz ZGQKQSJMZWTNPQ-NSHDSACASA-N 2 1 230.352 0.194 20 0 BCADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)[N@@H+](C)C1CC1 ZINC000310190354 632707023 /nfs/dbraw/zinc/70/70/23/632707023.db2.gz XSKJDSJIUARBSK-SKDRFNHKSA-N 2 1 239.363 0.713 20 0 BCADMP OCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321531 632723864 /nfs/dbraw/zinc/72/38/64/632723864.db2.gz UYCVYZUIKLBKCR-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP OCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321531 632723869 /nfs/dbraw/zinc/72/38/69/632723869.db2.gz UYCVYZUIKLBKCR-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[NH2+]CCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000310352050 632726793 /nfs/dbraw/zinc/72/67/93/632726793.db2.gz HJYIGJSSCGUQIR-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000052043907 632782299 /nfs/dbraw/zinc/78/22/99/632782299.db2.gz BAWCBTJQDWZQSJ-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP CO[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309241985 632835760 /nfs/dbraw/zinc/83/57/60/632835760.db2.gz LYMXEBFQGQSKDA-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309241985 632835762 /nfs/dbraw/zinc/83/57/62/632835762.db2.gz LYMXEBFQGQSKDA-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309338865 632948033 /nfs/dbraw/zinc/94/80/33/632948033.db2.gz KPCMBWGAQYPYKG-HBNTYKKESA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000309338865 632948038 /nfs/dbraw/zinc/94/80/38/632948038.db2.gz KPCMBWGAQYPYKG-HBNTYKKESA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000309338865 632948045 /nfs/dbraw/zinc/94/80/45/632948045.db2.gz KPCMBWGAQYPYKG-HBNTYKKESA-N 2 1 225.336 0.134 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000309457376 633089093 /nfs/dbraw/zinc/08/90/93/633089093.db2.gz PXMJAEDBTYFULK-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000309470710 633121758 /nfs/dbraw/zinc/12/17/58/633121758.db2.gz UDWBYSOZQYIEPB-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861460 633127866 /nfs/dbraw/zinc/12/78/66/633127866.db2.gz CMOPFQLSZLWRAR-ZDUSSCGKSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000926831754 633176387 /nfs/dbraw/zinc/17/63/87/633176387.db2.gz FGIUZEPBBXSZNC-POVTYCQASA-N 2 1 224.348 0.687 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291721 633187858 /nfs/dbraw/zinc/18/78/58/633187858.db2.gz BVRNVUKXYYMBLF-WDEREUQCSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000928431441 635916933 /nfs/dbraw/zinc/91/69/33/635916933.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000928431441 635916936 /nfs/dbraw/zinc/91/69/36/635916936.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000928431441 635916940 /nfs/dbraw/zinc/91/69/40/635916940.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC000928432222 635917878 /nfs/dbraw/zinc/91/78/78/635917878.db2.gz CNWHDPLHVZUMJC-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000928432222 635917880 /nfs/dbraw/zinc/91/78/80/635917880.db2.gz CNWHDPLHVZUMJC-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000928432222 635917882 /nfs/dbraw/zinc/91/78/82/635917882.db2.gz CNWHDPLHVZUMJC-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000928432310 635918690 /nfs/dbraw/zinc/91/86/90/635918690.db2.gz DVFHLNCBBCDKIS-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000928432310 635918692 /nfs/dbraw/zinc/91/86/92/635918692.db2.gz DVFHLNCBBCDKIS-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122297430 633198325 /nfs/dbraw/zinc/19/83/25/633198325.db2.gz AANNFPAGAOUKDM-VXGBXAGGSA-N 2 1 241.379 0.675 20 0 BCADMP Cc1cc(N)nc(N(C)CC[NH+](C)C)[nH+]1 ZINC000892777761 633224785 /nfs/dbraw/zinc/22/47/85/633224785.db2.gz RNNFNCOTAIVMLR-UHFFFAOYSA-N 2 1 209.297 0.365 20 0 BCADMP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CC[N@H+]1C ZINC000928434467 635929797 /nfs/dbraw/zinc/92/97/97/635929797.db2.gz DWFUJWSHWHEYLC-MWLCHTKSSA-N 2 1 236.319 0.171 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928440029 635936431 /nfs/dbraw/zinc/93/64/31/635936431.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928440029 635936433 /nfs/dbraw/zinc/93/64/33/635936433.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928440029 635936435 /nfs/dbraw/zinc/93/64/35/635936435.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC000928453655 635996288 /nfs/dbraw/zinc/99/62/88/635996288.db2.gz YINPWHZUMJAXTA-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1C ZINC000928453662 635996333 /nfs/dbraw/zinc/99/63/33/635996333.db2.gz YINPWHZUMJAXTA-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COCO2)CC1(C)C ZINC000894891065 636000343 /nfs/dbraw/zinc/00/03/43/636000343.db2.gz XWBBJIXOWATRQS-QWRGUYRKSA-N 2 1 228.336 0.822 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000928554584 636090717 /nfs/dbraw/zinc/09/07/17/636090717.db2.gz QSCXPRBHUNHFNH-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000928554584 636090723 /nfs/dbraw/zinc/09/07/23/636090723.db2.gz QSCXPRBHUNHFNH-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000928554584 636090725 /nfs/dbraw/zinc/09/07/25/636090725.db2.gz QSCXPRBHUNHFNH-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928561787 636106955 /nfs/dbraw/zinc/10/69/55/636106955.db2.gz FUOZSTBEHVWSRP-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328443409 633766876 /nfs/dbraw/zinc/76/68/76/633766876.db2.gz NEQXYZRYTADJFD-NGDQXYMTSA-N 2 1 210.321 0.609 20 0 BCADMP C[N@H+]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328566307 633777151 /nfs/dbraw/zinc/77/71/51/633777151.db2.gz MPAZSTLPBCUMJX-ARSDKDGVSA-N 2 1 249.402 0.914 20 0 BCADMP CC(C)OCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328571119 633779542 /nfs/dbraw/zinc/77/95/42/633779542.db2.gz SFGLVEMGIOSNRD-OBPIAQAESA-N 2 1 224.348 0.997 20 0 BCADMP CN1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCC1=O ZINC000925509201 633848053 /nfs/dbraw/zinc/84/80/53/633848053.db2.gz MEGZLNORFOWZJE-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP c1cn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925510484 633850543 /nfs/dbraw/zinc/85/05/43/633850543.db2.gz VUVUTVIGCUBNRR-LLVKDONJSA-N 2 1 220.320 0.757 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309984565 634030063 /nfs/dbraw/zinc/03/00/63/634030063.db2.gz CAJJCKJMKDTWEV-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558323 634033411 /nfs/dbraw/zinc/03/34/11/634033411.db2.gz SYWWMOKYMBSRQO-NWDGAFQWSA-N 2 1 241.379 0.437 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557681 634033687 /nfs/dbraw/zinc/03/36/87/634033687.db2.gz PXVRLAMLUDVDEG-OLZOCXBDSA-N 2 1 239.363 0.049 20 0 BCADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925559987 634039326 /nfs/dbraw/zinc/03/93/26/634039326.db2.gz VTGTUCXCPNBOLL-LLVKDONJSA-N 2 1 227.352 0.049 20 0 BCADMP CC[C@H](C)[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228418 634099297 /nfs/dbraw/zinc/09/92/97/634099297.db2.gz YQRNLAGXADEYMW-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228418 634099301 /nfs/dbraw/zinc/09/93/01/634099301.db2.gz YQRNLAGXADEYMW-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925608741 634145067 /nfs/dbraw/zinc/14/50/67/634145067.db2.gz IYMJXSIZMSMMGH-GXSJLCMTSA-N 2 1 200.326 0.878 20 0 BCADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCCO1 ZINC000925680302 634278374 /nfs/dbraw/zinc/27/83/74/634278374.db2.gz QBODZQSBQAMALO-ASHHDVGLSA-N 2 1 222.332 0.751 20 0 BCADMP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC(=O)N1 ZINC000925684615 634295388 /nfs/dbraw/zinc/29/53/88/634295388.db2.gz IKQIUGOAQVZXPB-QHNDTCHMSA-N 2 1 249.358 0.241 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000925686882 634299905 /nfs/dbraw/zinc/29/99/05/634299905.db2.gz ZDWDWFMPEWQBAY-CABZTGNLSA-N 2 1 225.336 0.385 20 0 BCADMP CC1(C)[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696952 634357130 /nfs/dbraw/zinc/35/71/30/634357130.db2.gz CDQHNHQESCKAJB-RNJOBUHISA-N 3 1 237.391 0.962 20 0 BCADMP CC1(C)[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696951 634357781 /nfs/dbraw/zinc/35/77/81/634357781.db2.gz CDQHNHQESCKAJB-QNWHQSFQSA-N 3 1 237.391 0.962 20 0 BCADMP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696950 634358622 /nfs/dbraw/zinc/35/86/22/634358622.db2.gz CDQHNHQESCKAJB-NDBYEHHHSA-N 3 1 237.391 0.962 20 0 BCADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]C1 ZINC000925698621 634365196 /nfs/dbraw/zinc/36/51/96/634365196.db2.gz LAAITPCJZCSTTL-QSLWVIQJSA-N 3 1 233.359 0.492 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000258430169 635148385 /nfs/dbraw/zinc/14/83/85/635148385.db2.gz GZQNVTTWNSZKQA-KGLIPLIRSA-N 2 1 234.343 0.871 20 0 BCADMP CC[NH2+]CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258616330 635172515 /nfs/dbraw/zinc/17/25/15/635172515.db2.gz BLDYZNRRPTYKFP-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260585623 635354075 /nfs/dbraw/zinc/35/40/75/635354075.db2.gz QKLFSJHXZUDKEM-SNVBAGLBSA-N 2 1 228.336 0.999 20 0 BCADMP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814555 635379292 /nfs/dbraw/zinc/37/92/92/635379292.db2.gz NGAKJGJXKGLGDZ-ONGXEEELSA-N 2 1 248.330 0.312 20 0 BCADMP CCCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000054108814 635389929 /nfs/dbraw/zinc/38/99/29/635389929.db2.gz FRJQPMGDAJANSG-UHFFFAOYSA-N 2 1 200.330 0.851 20 0 BCADMP NC(=O)CC1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925824727 635415294 /nfs/dbraw/zinc/41/52/94/635415294.db2.gz VALAEMRZZGMUCR-VQXHTEKXSA-N 2 1 237.347 0.515 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH3+])[C@@H](C)C1 ZINC000236848096 635474256 /nfs/dbraw/zinc/47/42/56/635474256.db2.gz ALVRUZXYEHKMES-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H]2CCC[C@H]21 ZINC000925859216 635553120 /nfs/dbraw/zinc/55/31/20/635553120.db2.gz GGQOSDDEPYNHRY-WISYIIOYSA-N 2 1 225.336 0.352 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000928442144 635944538 /nfs/dbraw/zinc/94/45/38/635944538.db2.gz QPIRAVOJEHPVAN-GHMZBOCLSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000928442146 635946007 /nfs/dbraw/zinc/94/60/07/635946007.db2.gz QPIRAVOJEHPVAN-MNOVXSKESA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310502289 636218498 /nfs/dbraw/zinc/21/84/98/636218498.db2.gz IGKWPUQWKFTIDL-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310502289 636218501 /nfs/dbraw/zinc/21/85/01/636218501.db2.gz IGKWPUQWKFTIDL-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089743285 636908755 /nfs/dbraw/zinc/90/87/55/636908755.db2.gz YOOMDHDSAXCHAO-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701341 636932114 /nfs/dbraw/zinc/93/21/14/636932114.db2.gz JLUOOWSTFWBSPY-FRRDWIJNSA-N 2 1 224.348 0.855 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCOC[C@H]1C)C[NH+](C)C ZINC000926957672 636971701 /nfs/dbraw/zinc/97/17/01/636971701.db2.gz BZKIVPKQCLFTKV-UPJWGTAASA-N 2 1 244.379 0.968 20 0 BCADMP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000924654098 636977445 /nfs/dbraw/zinc/97/74/45/636977445.db2.gz OZMNWPAOMLGCOL-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1C ZINC000927149435 637057612 /nfs/dbraw/zinc/05/76/12/637057612.db2.gz BYFRNULKXVIDHN-BJDJZHNGSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1C ZINC000927149435 637057617 /nfs/dbraw/zinc/05/76/17/637057617.db2.gz BYFRNULKXVIDHN-BJDJZHNGSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@]12COC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463885 637365545 /nfs/dbraw/zinc/36/55/45/637365545.db2.gz QXIONDLDDFJSMZ-IJLUTSLNSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@]12COC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463885 637365566 /nfs/dbraw/zinc/36/55/66/637365566.db2.gz QXIONDLDDFJSMZ-IJLUTSLNSA-N 2 1 210.321 0.707 20 0 BCADMP CC[N@@H+](CCCCCC[NH3+])CCC(N)=O ZINC000903577769 637372990 /nfs/dbraw/zinc/37/29/90/637372990.db2.gz VXVNLYMCOOGMPG-UHFFFAOYSA-N 2 1 215.341 0.703 20 0 BCADMP CC[N@H+](CCC(N)=O)CC[C@H]1CCC[NH2+]C1 ZINC000903577585 637374138 /nfs/dbraw/zinc/37/41/38/637374138.db2.gz OMATUBILIHTJKV-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722885 637378342 /nfs/dbraw/zinc/37/83/42/637378342.db2.gz FCKABJYDNAMZSL-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722130 637379524 /nfs/dbraw/zinc/37/95/24/637379524.db2.gz HLJCYTUZOOVBPV-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722130 637379527 /nfs/dbraw/zinc/37/95/27/637379527.db2.gz HLJCYTUZOOVBPV-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000903722922 637379829 /nfs/dbraw/zinc/37/98/29/637379829.db2.gz QQFFHVIADWKXFK-CHWSQXEVSA-N 2 1 240.347 0.477 20 0 BCADMP COCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818323 637386318 /nfs/dbraw/zinc/38/63/18/637386318.db2.gz GSNVUQJNECJHPG-UHFFFAOYSA-N 2 1 242.363 0.867 20 0 BCADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000904464405 637409696 /nfs/dbraw/zinc/40/96/96/637409696.db2.gz YZHOIGHQLZXRJE-VHSXEESVSA-N 2 1 200.326 0.857 20 0 BCADMP NC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000904443664 637411787 /nfs/dbraw/zinc/41/17/87/637411787.db2.gz MLLFMQWTFMBVMJ-FGWVZKOKSA-N 2 1 209.337 0.598 20 0 BCADMP CNC(=O)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904449269 637413870 /nfs/dbraw/zinc/41/38/70/637413870.db2.gz HOFKVKOHCLTDGA-UHFFFAOYSA-N 2 1 233.315 0.627 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000904449726 637414425 /nfs/dbraw/zinc/41/44/25/637414425.db2.gz KJTUEHQMTHYTMP-UHFFFAOYSA-N 2 1 243.314 0.848 20 0 BCADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000904469449 637422837 /nfs/dbraw/zinc/42/28/37/637422837.db2.gz MPIYJUCBTBJCLW-CABZTGNLSA-N 2 1 225.336 0.311 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(CC2C[NH2+]C2)nn1 ZINC000905059848 637590420 /nfs/dbraw/zinc/59/04/20/637590420.db2.gz XHJREORCFCGYAB-UHFFFAOYSA-N 2 1 223.324 0.338 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(CC2C[NH2+]C2)nn1 ZINC000905059848 637590426 /nfs/dbraw/zinc/59/04/26/637590426.db2.gz XHJREORCFCGYAB-UHFFFAOYSA-N 2 1 223.324 0.338 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000905059524 637591891 /nfs/dbraw/zinc/59/18/91/637591891.db2.gz UNGFUFPBALUGNB-NSHDSACASA-N 2 1 237.351 0.870 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000905059524 637591897 /nfs/dbraw/zinc/59/18/97/637591897.db2.gz UNGFUFPBALUGNB-NSHDSACASA-N 2 1 237.351 0.870 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132590 637644623 /nfs/dbraw/zinc/64/46/23/637644623.db2.gz BKGXLTLZPFUMND-UTUOFQBUSA-N 2 1 242.363 0.335 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074565006 711443618 /nfs/dbraw/zinc/44/36/18/711443618.db2.gz NPDVGKQWFOKYMX-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]C1(c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)CC1 ZINC000905326489 637755902 /nfs/dbraw/zinc/75/59/02/637755902.db2.gz DPAFJWWRPNHELM-KCJUWKMLSA-N 2 1 234.303 0.875 20 0 BCADMP [NH3+]C1(c2noc(CC[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000905326955 637757171 /nfs/dbraw/zinc/75/71/71/637757171.db2.gz KGTDEZHAOKORQV-VIFPVBQESA-N 2 1 236.319 0.950 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=S)NCC[NH+](C)C ZINC000905547744 637851754 /nfs/dbraw/zinc/85/17/54/637851754.db2.gz IRXTYCLDOTVPBD-JTQLQIEISA-N 2 1 244.408 0.106 20 0 BCADMP CCO[C@@H](C[NH2+]CC1(O)CCC1)C[NH+](C)C ZINC000905578535 637853869 /nfs/dbraw/zinc/85/38/69/637853869.db2.gz FBXQQLFWBZBTSN-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP NC(=O)c1csc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906509248 638181926 /nfs/dbraw/zinc/18/19/26/638181926.db2.gz CDNCBSWLJKVDIH-UHFFFAOYSA-N 2 1 225.317 0.426 20 0 BCADMP [NH3+]C1CC([NH2+]Cc2cnc3ccccn23)C1 ZINC000906509588 638182358 /nfs/dbraw/zinc/18/23/58/638182358.db2.gz KTMBDSLRAOOPQV-UHFFFAOYSA-N 2 1 216.288 0.914 20 0 BCADMP [NH3+]Cc1ccc(CNC2CC([NH3+])C2)cc1 ZINC000906511063 638183204 /nfs/dbraw/zinc/18/32/04/638183204.db2.gz RPMISCDVHIEZNP-UHFFFAOYSA-N 2 1 205.305 0.725 20 0 BCADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000906518231 638187320 /nfs/dbraw/zinc/18/73/20/638187320.db2.gz UBHAVOYSGWKEQV-KYZUINATSA-N 2 1 217.276 0.309 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cnc[nH]1 ZINC000908445016 638719264 /nfs/dbraw/zinc/71/92/64/638719264.db2.gz ZOIQJTYDVVNYGV-LLVKDONJSA-N 2 1 236.319 0.505 20 0 BCADMP CC[C@@H]1CN(C)CCN1C(=O)Cc1cnc[nH]1 ZINC000908445016 638719269 /nfs/dbraw/zinc/71/92/69/638719269.db2.gz ZOIQJTYDVVNYGV-LLVKDONJSA-N 2 1 236.319 0.505 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472394 639464481 /nfs/dbraw/zinc/46/44/81/639464481.db2.gz KWTQUBHDTRHNGD-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH3+] ZINC000911647490 639701077 /nfs/dbraw/zinc/70/10/77/639701077.db2.gz DIBLJYSNGNRBRO-JTQLQIEISA-N 2 1 213.325 0.324 20 0 BCADMP COCC(COC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930556709 639810703 /nfs/dbraw/zinc/81/07/03/639810703.db2.gz YTRXIEZSNOENQA-ZDUSSCGKSA-N 2 1 242.363 0.675 20 0 BCADMP CC[C@@H](CO)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930560006 639811368 /nfs/dbraw/zinc/81/13/68/639811368.db2.gz XWWUXUOSXGOKEV-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@@H](CO)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930560006 639811369 /nfs/dbraw/zinc/81/13/69/639811369.db2.gz XWWUXUOSXGOKEV-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@@H](CO)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930560006 639811370 /nfs/dbraw/zinc/81/13/70/639811370.db2.gz XWWUXUOSXGOKEV-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813172 639835433 /nfs/dbraw/zinc/83/54/33/639835433.db2.gz WJQOQEGAFHMCRX-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833323 639844704 /nfs/dbraw/zinc/84/47/04/639844704.db2.gz KRVJWZFYDZWKED-NEPJUHHUSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)([NH3+])CNC(=O)c1cnc(C[NH3+])s1 ZINC000911847101 639856298 /nfs/dbraw/zinc/85/62/98/639856298.db2.gz VJQMMSKVLVJHDN-UHFFFAOYSA-N 2 1 228.321 0.069 20 0 BCADMP C[C@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCCC1 ZINC000930675893 639858209 /nfs/dbraw/zinc/85/82/09/639858209.db2.gz RFTBBBGBHNGVHY-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[C@H](C1CC1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851224 639944384 /nfs/dbraw/zinc/94/43/84/639944384.db2.gz YJKYOEQITFDQML-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931276694 640123884 /nfs/dbraw/zinc/12/38/84/640123884.db2.gz BQCDKCMNMBNUSC-WYUUTHIRSA-N 2 1 212.337 0.903 20 0 BCADMP CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931276694 640123885 /nfs/dbraw/zinc/12/38/85/640123885.db2.gz BQCDKCMNMBNUSC-WYUUTHIRSA-N 2 1 212.337 0.903 20 0 BCADMP Cn1c[nH+]cc1CCN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931390099 640175115 /nfs/dbraw/zinc/17/51/15/640175115.db2.gz PRIKBYPOKVLRAO-BETUJISGSA-N 2 1 234.347 0.741 20 0 BCADMP Cn1c[nH+]cc1CCN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931390099 640175118 /nfs/dbraw/zinc/17/51/18/640175118.db2.gz PRIKBYPOKVLRAO-BETUJISGSA-N 2 1 234.347 0.741 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000931391879 640175920 /nfs/dbraw/zinc/17/59/20/640175920.db2.gz YDPLWFFNVFBJKA-BETUJISGSA-N 2 1 223.364 0.861 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429762 640198933 /nfs/dbraw/zinc/19/89/33/640198933.db2.gz HMIVIXDYYWEPKG-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429762 640198938 /nfs/dbraw/zinc/19/89/38/640198938.db2.gz HMIVIXDYYWEPKG-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429762 640198946 /nfs/dbraw/zinc/19/89/46/640198946.db2.gz HMIVIXDYYWEPKG-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429762 640198953 /nfs/dbraw/zinc/19/89/53/640198953.db2.gz HMIVIXDYYWEPKG-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200879 /nfs/dbraw/zinc/20/08/79/640200879.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200886 /nfs/dbraw/zinc/20/08/86/640200886.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200892 /nfs/dbraw/zinc/20/08/92/640200892.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 2 1 234.347 0.767 20 0 BCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434066 640203019 /nfs/dbraw/zinc/20/30/19/640203019.db2.gz NYKRGMWMMRQFAP-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CCN(C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434066 640203016 /nfs/dbraw/zinc/20/30/16/640203016.db2.gz NYKRGMWMMRQFAP-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CCN(C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434066 640203018 /nfs/dbraw/zinc/20/30/18/640203018.db2.gz NYKRGMWMMRQFAP-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208504 /nfs/dbraw/zinc/20/85/04/640208504.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 2 1 246.358 0.903 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208510 /nfs/dbraw/zinc/20/85/10/640208510.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 2 1 246.358 0.903 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208515 /nfs/dbraw/zinc/20/85/15/640208515.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 2 1 246.358 0.903 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912906512 640232310 /nfs/dbraw/zinc/23/23/10/640232310.db2.gz FXGAVKCGHZUERH-VXGBXAGGSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+](C[C@H](O)CN1CCn2cc[nH+]c21)C1CC1 ZINC000931520755 640252445 /nfs/dbraw/zinc/25/24/45/640252445.db2.gz RMUXKCBGTBCUQB-NSHDSACASA-N 2 1 236.319 0.158 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCn2cc[nH+]c21)C1CC1 ZINC000931520755 640252463 /nfs/dbraw/zinc/25/24/63/640252463.db2.gz RMUXKCBGTBCUQB-NSHDSACASA-N 2 1 236.319 0.158 20 0 BCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000913533069 640386442 /nfs/dbraw/zinc/38/64/42/640386442.db2.gz XVGYIGHLAPHMRJ-GRYCIOLGSA-N 2 1 237.347 0.386 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000913533069 640386448 /nfs/dbraw/zinc/38/64/48/640386448.db2.gz XVGYIGHLAPHMRJ-GRYCIOLGSA-N 2 1 237.347 0.386 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000913533069 640386458 /nfs/dbraw/zinc/38/64/58/640386458.db2.gz XVGYIGHLAPHMRJ-GRYCIOLGSA-N 2 1 237.347 0.386 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000913533069 640386465 /nfs/dbraw/zinc/38/64/65/640386465.db2.gz XVGYIGHLAPHMRJ-GRYCIOLGSA-N 2 1 237.347 0.386 20 0 BCADMP NC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530055 640402006 /nfs/dbraw/zinc/40/20/06/640402006.db2.gz HQOAMAULKMMTPC-GFCCVEGCSA-N 2 1 247.342 0.956 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530055 640402010 /nfs/dbraw/zinc/40/20/10/640402010.db2.gz HQOAMAULKMMTPC-GFCCVEGCSA-N 2 1 247.342 0.956 20 0 BCADMP CC[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044753042 640459440 /nfs/dbraw/zinc/45/94/40/640459440.db2.gz CXXSEAKOTNVUCW-UHFFFAOYSA-N 2 1 239.363 0.670 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227788 640603344 /nfs/dbraw/zinc/60/33/44/640603344.db2.gz SWXGQMIZGFGFKN-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227788 640603348 /nfs/dbraw/zinc/60/33/48/640603348.db2.gz SWXGQMIZGFGFKN-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227732 640604314 /nfs/dbraw/zinc/60/43/14/640604314.db2.gz SWXGQMIZGFGFKN-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227732 640604319 /nfs/dbraw/zinc/60/43/19/640604319.db2.gz SWXGQMIZGFGFKN-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225424803 640693178 /nfs/dbraw/zinc/69/31/78/640693178.db2.gz YVOLYDFRMZNMAA-DJLDLDEBSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225424803 640693181 /nfs/dbraw/zinc/69/31/81/640693181.db2.gz YVOLYDFRMZNMAA-DJLDLDEBSA-N 2 1 240.269 0.969 20 0 BCADMP CC[N@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000167208267 640707510 /nfs/dbraw/zinc/70/75/10/640707510.db2.gz GYWWXNSEHAFSLF-JTQLQIEISA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000167208267 640707516 /nfs/dbraw/zinc/70/75/16/640707516.db2.gz GYWWXNSEHAFSLF-JTQLQIEISA-N 2 1 243.376 0.249 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225852065 640713231 /nfs/dbraw/zinc/71/32/31/640713231.db2.gz SAEDQINCRXTDAA-IJLUTSLNSA-N 2 1 230.352 0.443 20 0 BCADMP CC[C@@H](CO)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734189 640759791 /nfs/dbraw/zinc/75/97/91/640759791.db2.gz NNWKOOMZSFPOJU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](CO)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734189 640759798 /nfs/dbraw/zinc/75/97/98/640759798.db2.gz NNWKOOMZSFPOJU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](CO)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734189 640759801 /nfs/dbraw/zinc/75/98/01/640759801.db2.gz NNWKOOMZSFPOJU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP CC[C@@H](CO)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734189 640759809 /nfs/dbraw/zinc/75/98/09/640759809.db2.gz NNWKOOMZSFPOJU-SDDRHHMPSA-N 2 1 212.337 0.641 20 0 BCADMP Cn1cc(CC[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000226418291 640762252 /nfs/dbraw/zinc/76/22/52/640762252.db2.gz YNBCVSUWDVKPSS-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCCCO)CCO1 ZINC000226434271 640764565 /nfs/dbraw/zinc/76/45/65/640764565.db2.gz MKPGIOUJPXVFDJ-RYUDHWBXSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000226434271 640764567 /nfs/dbraw/zinc/76/45/67/640764567.db2.gz MKPGIOUJPXVFDJ-RYUDHWBXSA-N 2 1 230.352 0.587 20 0 BCADMP OCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226834830 640799873 /nfs/dbraw/zinc/79/98/73/640799873.db2.gz GABALRLUAXTOFN-TXEJJXNPSA-N 2 1 212.337 0.690 20 0 BCADMP CCOCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228987854 640909620 /nfs/dbraw/zinc/90/96/20/640909620.db2.gz FTNAENCCEWSWIA-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988383 640909765 /nfs/dbraw/zinc/90/97/65/640909765.db2.gz YLNOVGLHTSDZBV-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988383 640909769 /nfs/dbraw/zinc/90/97/69/640909769.db2.gz YLNOVGLHTSDZBV-RYUDHWBXSA-N 2 1 241.379 0.772 20 0 BCADMP NC(=O)c1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000087651372 640957135 /nfs/dbraw/zinc/95/71/35/640957135.db2.gz HEVORRPZQBULKX-UHFFFAOYSA-N 2 1 219.288 0.365 20 0 BCADMP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000230063708 641010748 /nfs/dbraw/zinc/01/07/48/641010748.db2.gz XQIGCUQMWZELHN-BXKDBHETSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061988623 641013271 /nfs/dbraw/zinc/01/32/71/641013271.db2.gz OTIAWGDRZLNCOE-GFCCVEGCSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061988623 641013275 /nfs/dbraw/zinc/01/32/75/641013275.db2.gz OTIAWGDRZLNCOE-GFCCVEGCSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938302 641194151 /nfs/dbraw/zinc/19/41/51/641194151.db2.gz KKFIGAOBLHORLY-VIFPVBQESA-N 2 1 240.269 0.984 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307929575 641194654 /nfs/dbraw/zinc/19/46/54/641194654.db2.gz APVYQGWMYBMFRP-ZETCQYMHSA-N 2 1 214.231 0.580 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697790 641404702 /nfs/dbraw/zinc/40/47/02/641404702.db2.gz VDFIXAATMBOGRJ-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089146224 641465914 /nfs/dbraw/zinc/46/59/14/641465914.db2.gz SORSXPKQUKCVLV-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089146224 641465918 /nfs/dbraw/zinc/46/59/18/641465918.db2.gz SORSXPKQUKCVLV-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964556 641529552 /nfs/dbraw/zinc/52/95/52/641529552.db2.gz VRFQPPPAHNNAMD-CMPLNLGQSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964556 641529558 /nfs/dbraw/zinc/52/95/58/641529558.db2.gz VRFQPPPAHNNAMD-CMPLNLGQSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157633772 641620873 /nfs/dbraw/zinc/62/08/73/641620873.db2.gz GQBHOHPUYSKNJL-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000157847142 641623992 /nfs/dbraw/zinc/62/39/92/641623992.db2.gz CSBZQVLPBFQWOV-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCO[C@@H](C)C1 ZINC000223935244 641700561 /nfs/dbraw/zinc/70/05/61/641700561.db2.gz DCQUTVHYGUQKBS-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226740921 641725226 /nfs/dbraw/zinc/72/52/26/641725226.db2.gz OIVYPAYHUPETOO-QJPTWQEYSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015705127 641883751 /nfs/dbraw/zinc/88/37/51/641883751.db2.gz IEJCNUGJEOOMCS-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015705127 641883755 /nfs/dbraw/zinc/88/37/55/641883755.db2.gz IEJCNUGJEOOMCS-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015705127 641883758 /nfs/dbraw/zinc/88/37/58/641883758.db2.gz IEJCNUGJEOOMCS-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000916112985 641909846 /nfs/dbraw/zinc/90/98/46/641909846.db2.gz DCXNMWDSYFZPCN-NSHDSACASA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385114 642049379 /nfs/dbraw/zinc/04/93/79/642049379.db2.gz VDBBPDSYJBVTLK-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385114 642049386 /nfs/dbraw/zinc/04/93/86/642049386.db2.gz VDBBPDSYJBVTLK-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585583 642341639 /nfs/dbraw/zinc/34/16/39/642341639.db2.gz ZZRRJEGHCORECZ-NSHDSACASA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000307934281 642350059 /nfs/dbraw/zinc/35/00/59/642350059.db2.gz FSXWBHSWHKELPC-HRDYMLBCSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000307934281 642350065 /nfs/dbraw/zinc/35/00/65/642350065.db2.gz FSXWBHSWHKELPC-HRDYMLBCSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307940711 642350575 /nfs/dbraw/zinc/35/05/75/642350575.db2.gz NHKYRKWJFFPSFR-CIUDSAMLSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000307934283 642350598 /nfs/dbraw/zinc/35/05/98/642350598.db2.gz FSXWBHSWHKELPC-IWSPIJDZSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000307934283 642350600 /nfs/dbraw/zinc/35/06/00/642350600.db2.gz FSXWBHSWHKELPC-IWSPIJDZSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000925474601 642409713 /nfs/dbraw/zinc/40/97/13/642409713.db2.gz CWMZJDMYECJJIO-MNOVXSKESA-N 2 1 241.335 0.559 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000925474602 642410352 /nfs/dbraw/zinc/41/03/52/642410352.db2.gz CWMZJDMYECJJIO-QWRGUYRKSA-N 2 1 241.335 0.559 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000233428392 642670050 /nfs/dbraw/zinc/67/00/50/642670050.db2.gz JIKGVJYFLJFTDE-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967708524 642803091 /nfs/dbraw/zinc/80/30/91/642803091.db2.gz LQHCUTXHFITOPB-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926357 642805221 /nfs/dbraw/zinc/80/52/21/642805221.db2.gz UGIDXWDXBSHFLG-GHMZBOCLSA-N 2 1 243.326 0.241 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772423 642834576 /nfs/dbraw/zinc/83/45/76/642834576.db2.gz UEJXCGUYMVCRQR-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252691863 642891686 /nfs/dbraw/zinc/89/16/86/642891686.db2.gz ZGFRSMCEMZGGEI-MNOVXSKESA-N 2 1 218.341 0.299 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001019044469 643020016 /nfs/dbraw/zinc/02/00/16/643020016.db2.gz VAHRSHYSNQYLNW-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020022561 643052781 /nfs/dbraw/zinc/05/27/81/643052781.db2.gz BFQQTCPVKABHKH-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000925339218 643217819 /nfs/dbraw/zinc/21/78/19/643217819.db2.gz WWVFFOVDUCFBFV-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001020587537 643219881 /nfs/dbraw/zinc/21/98/81/643219881.db2.gz JVFRSYAZZKASMK-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020589759 643223019 /nfs/dbraw/zinc/22/30/19/643223019.db2.gz BITUELQICLHCJD-KKOKHZNYSA-N 2 1 239.363 0.441 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])N1CCOCC1 ZINC000083052962 643291936 /nfs/dbraw/zinc/29/19/36/643291936.db2.gz OMFZQBHEMNGRPI-UHFFFAOYSA-N 2 1 242.367 0.365 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681375 643366772 /nfs/dbraw/zinc/36/67/72/643366772.db2.gz VCZMRQYFJHBRPW-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681375 643366778 /nfs/dbraw/zinc/36/67/78/643366778.db2.gz VCZMRQYFJHBRPW-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645580 643521189 /nfs/dbraw/zinc/52/11/89/643521189.db2.gz BAIYHLVTUVEWIK-VWYCJHECSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000083676564 643541051 /nfs/dbraw/zinc/54/10/51/643541051.db2.gz IVJQTQHPVTWUNP-JTQLQIEISA-N 2 1 200.326 0.961 20 0 BCADMP CC(=O)NCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313459 644075775 /nfs/dbraw/zinc/07/57/75/644075775.db2.gz YMCJWVXVKNQLLY-BETUJISGSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279533 644310855 /nfs/dbraw/zinc/31/08/55/644310855.db2.gz OREYFYVOBLRZDU-CYBMUJFWSA-N 2 1 244.379 0.704 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279586 644311033 /nfs/dbraw/zinc/31/10/33/644311033.db2.gz QSPNWBTUZZMUJB-AVGNSLFASA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279586 644311034 /nfs/dbraw/zinc/31/10/34/644311034.db2.gz QSPNWBTUZZMUJB-AVGNSLFASA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279478 644311238 /nfs/dbraw/zinc/31/12/38/644311238.db2.gz CCMCKCIGQQROPY-OLZOCXBDSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279850 644312101 /nfs/dbraw/zinc/31/21/01/644312101.db2.gz DQVNKGZDFGDJSJ-CHWSQXEVSA-N 2 1 244.379 0.691 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282576 644318172 /nfs/dbraw/zinc/31/81/72/644318172.db2.gz VWEIZYOGXMNXIE-RYUDHWBXSA-N 2 1 230.352 0.301 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000923286052 644319891 /nfs/dbraw/zinc/31/98/91/644319891.db2.gz GHHHPUSIHGBYBJ-ZDUSSCGKSA-N 2 1 244.379 0.704 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288968 644324340 /nfs/dbraw/zinc/32/43/40/644324340.db2.gz NGLNVBOQDKMGBI-BBBLOLIVSA-N 2 1 218.366 0.379 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294034 644330092 /nfs/dbraw/zinc/33/00/92/644330092.db2.gz DJUDPNMMFZHZHB-NSHDSACASA-N 2 1 232.368 0.691 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293115 644330588 /nfs/dbraw/zinc/33/05/88/644330588.db2.gz NLYJYAOCFASQNV-RYUDHWBXSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293115 644330591 /nfs/dbraw/zinc/33/05/91/644330591.db2.gz NLYJYAOCFASQNV-RYUDHWBXSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300341 644335770 /nfs/dbraw/zinc/33/57/70/644335770.db2.gz FUDRZSVPOKDEPV-NSHDSACASA-N 2 1 212.337 0.953 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307173 644337523 /nfs/dbraw/zinc/33/75/23/644337523.db2.gz XYWZTOAPBSPSQX-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CC[N@@H+](C[C@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307240 644338238 /nfs/dbraw/zinc/33/82/38/644338238.db2.gz QHVVIFKZJCLWEI-RHYQMDGZSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@H+](Cc1cccc(O)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303692 644340684 /nfs/dbraw/zinc/34/06/84/644340684.db2.gz IIQWPVDCNVFJOT-DRZSPHRISA-N 2 1 236.315 0.675 20 0 BCADMP C[N@@H+](Cc1cccc(O)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303692 644340688 /nfs/dbraw/zinc/34/06/88/644340688.db2.gz IIQWPVDCNVFJOT-DRZSPHRISA-N 2 1 236.315 0.675 20 0 BCADMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314161 644341303 /nfs/dbraw/zinc/34/13/03/644341303.db2.gz RBFZAFJFMYNGHT-GRYCIOLGSA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3(CCC3)C2)C1 ZINC000923315558 644343334 /nfs/dbraw/zinc/34/33/34/644343334.db2.gz IGNQARFXZSKXDZ-DCAQKATOSA-N 2 1 210.321 0.713 20 0 BCADMP COC(C)(C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923317942 644344730 /nfs/dbraw/zinc/34/47/30/644344730.db2.gz HEUOUTBWBOBBGQ-GUBZILKMSA-N 2 1 216.325 0.194 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328858 644346131 /nfs/dbraw/zinc/34/61/31/644346131.db2.gz XJGHHTIGBMQTGK-LBPRGKRZSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311044 644346816 /nfs/dbraw/zinc/34/68/16/644346816.db2.gz FRQSALPOVZNAKL-WDEREUQCSA-N 2 1 242.388 0.802 20 0 BCADMP C[N@@H+](C[C@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923310503 644347195 /nfs/dbraw/zinc/34/71/95/644347195.db2.gz WJDFPLNVYVDACP-USZNOCQGSA-N 2 1 228.336 0.338 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923330862 644348317 /nfs/dbraw/zinc/34/83/17/644348317.db2.gz CPHVHGZRGYECBS-YNEHKIRRSA-N 2 1 242.363 0.709 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923330856 644349538 /nfs/dbraw/zinc/34/95/38/644349538.db2.gz CPHVHGZRGYECBS-AVGNSLFASA-N 2 1 242.363 0.709 20 0 BCADMP Cc1ncsc1C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923322916 644351259 /nfs/dbraw/zinc/35/12/59/644351259.db2.gz CDANUYJPQLGZGX-GUBZILKMSA-N 2 1 241.360 0.734 20 0 BCADMP Cc1ncsc1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923322916 644351268 /nfs/dbraw/zinc/35/12/68/644351268.db2.gz CDANUYJPQLGZGX-GUBZILKMSA-N 2 1 241.360 0.734 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323093 644352187 /nfs/dbraw/zinc/35/21/87/644352187.db2.gz QIIXCOYDDWJYJL-CYDGBPFRSA-N 2 1 241.379 0.253 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333085 644353912 /nfs/dbraw/zinc/35/39/12/644353912.db2.gz TXXSUZMVTSTHCC-SRVKXCTJSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923332772 644354847 /nfs/dbraw/zinc/35/48/47/644354847.db2.gz NHRQUHHHSQAJLR-CYDGBPFRSA-N 2 1 242.363 0.443 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334674 644356374 /nfs/dbraw/zinc/35/63/74/644356374.db2.gz JCWDTYODXWZRSN-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348404 644361186 /nfs/dbraw/zinc/36/11/86/644361186.db2.gz GFYIFMLLBYMPOH-MNOVXSKESA-N 2 1 232.393 0.771 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355191 644371418 /nfs/dbraw/zinc/37/14/18/644371418.db2.gz HIMZHQYEFZQPEP-STQMWFEESA-N 2 1 244.379 0.833 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)CC1CCCC1 ZINC000923354777 644372679 /nfs/dbraw/zinc/37/26/79/644372679.db2.gz WHHPFUBBKWMNMD-UHFFFAOYSA-N 2 1 200.326 0.820 20 0 BCADMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000923364910 644375318 /nfs/dbraw/zinc/37/53/18/644375318.db2.gz AOKAYZUIJQKNPW-STQMWFEESA-N 2 1 238.331 0.280 20 0 BCADMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000923364910 644375322 /nfs/dbraw/zinc/37/53/22/644375322.db2.gz AOKAYZUIJQKNPW-STQMWFEESA-N 2 1 238.331 0.280 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364225 644375512 /nfs/dbraw/zinc/37/55/12/644375512.db2.gz JXKLQNKVLCLTFP-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)C[NH3+] ZINC000923366131 644378950 /nfs/dbraw/zinc/37/89/50/644378950.db2.gz JSJBLWURQHWXJH-WVMKXHBISA-N 3 1 241.379 0.159 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367156 644379594 /nfs/dbraw/zinc/37/95/94/644379594.db2.gz SXVQABRDZLSFTN-NEPJUHHUSA-N 2 1 244.404 0.786 20 0 BCADMP C[N@@H+](CC1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369029 644380440 /nfs/dbraw/zinc/38/04/40/644380440.db2.gz GBMPDCDSQMQSAP-SRVKXCTJSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)CCN1CCOCC1 ZINC000923368875 644380591 /nfs/dbraw/zinc/38/05/91/644380591.db2.gz DNCWABREMBSZOL-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)CCN1CCOCC1 ZINC000923368875 644380592 /nfs/dbraw/zinc/38/05/92/644380592.db2.gz DNCWABREMBSZOL-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000923369115 644380819 /nfs/dbraw/zinc/38/08/19/644380819.db2.gz HQUXWJUSHMDKJV-XWUBHJNHSA-N 2 1 247.342 0.722 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923372086 644383165 /nfs/dbraw/zinc/38/31/65/644383165.db2.gz WREBGHAGAVGXDT-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923371227 644383757 /nfs/dbraw/zinc/38/37/57/644383757.db2.gz VWRKOAGIKOBPNE-WDEREUQCSA-N 2 1 232.368 0.737 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923370727 644384560 /nfs/dbraw/zinc/38/45/60/644384560.db2.gz QPNPAMYVJQNIDG-FVCCEPFGSA-N 2 1 244.379 0.750 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923373456 644388139 /nfs/dbraw/zinc/38/81/39/644388139.db2.gz NBBSDJCEPSTZPF-CHWFTXMASA-N 2 1 200.326 0.733 20 0 BCADMP C[N@H+](C[C@@H](O)Cn1cccn1)C1(C[NH3+])CCC1 ZINC000923360959 644386775 /nfs/dbraw/zinc/38/67/75/644386775.db2.gz CCQAOXPQBJHSBH-LLVKDONJSA-N 2 1 238.335 0.057 20 0 BCADMP C[N@@H+](C[C@@H](O)Cn1cccn1)C1(C[NH3+])CCC1 ZINC000923360959 644386777 /nfs/dbraw/zinc/38/67/77/644386777.db2.gz CCQAOXPQBJHSBH-LLVKDONJSA-N 2 1 238.335 0.057 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375673 644388622 /nfs/dbraw/zinc/38/86/22/644388622.db2.gz OYEKNWLFCRZLRS-AVGNSLFASA-N 2 1 244.379 0.691 20 0 BCADMP CC(C)CC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377694 644391452 /nfs/dbraw/zinc/39/14/52/644391452.db2.gz AVASNJZNZBNXDS-QWHCGFSZSA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@H]1CCCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923376807 644391667 /nfs/dbraw/zinc/39/16/67/644391667.db2.gz PEGJUDVCEXGNLV-CYDGBPFRSA-N 2 1 242.363 0.586 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923385308 644393317 /nfs/dbraw/zinc/39/33/17/644393317.db2.gz ZXDYGVSBYTYWHV-GRYCIOLGSA-N 2 1 240.347 0.210 20 0 BCADMP CSC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923383177 644394829 /nfs/dbraw/zinc/39/48/29/644394829.db2.gz XUGJCHKSVJVKKT-JTQLQIEISA-N 2 1 230.377 0.538 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923390606 644395730 /nfs/dbraw/zinc/39/57/30/644395730.db2.gz BREQJMKPDPLOHN-LOWDOPEQSA-N 2 1 242.363 0.728 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923390615 644395880 /nfs/dbraw/zinc/39/58/80/644395880.db2.gz BREQJMKPDPLOHN-WUHRBBMRSA-N 2 1 242.363 0.728 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923386930 644398050 /nfs/dbraw/zinc/39/80/50/644398050.db2.gz LGERXDQVGLSZSK-SRVKXCTJSA-N 2 1 230.352 0.443 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387865 644399085 /nfs/dbraw/zinc/39/90/85/644399085.db2.gz ZUUSNEWLJPAPCN-NSHDSACASA-N 2 1 232.368 0.832 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387865 644399091 /nfs/dbraw/zinc/39/90/91/644399091.db2.gz ZUUSNEWLJPAPCN-NSHDSACASA-N 2 1 232.368 0.832 20 0 BCADMP CC(C)O[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385933 644399210 /nfs/dbraw/zinc/39/92/10/644399210.db2.gz GAOFLOIIDAVOPD-RNJOBUHISA-N 2 1 242.363 0.726 20 0 BCADMP O=C1CCC2=C(CC[N@H+](CCC[NH2+]C3CC3)C2)N1 ZINC000923388084 644399247 /nfs/dbraw/zinc/39/92/47/644399247.db2.gz NLECLVMNZLABHD-UHFFFAOYSA-N 2 1 249.358 0.998 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](CCC[NH2+]C3CC3)C2)N1 ZINC000923388084 644399251 /nfs/dbraw/zinc/39/92/51/644399251.db2.gz NLECLVMNZLABHD-UHFFFAOYSA-N 2 1 249.358 0.998 20 0 BCADMP c1cn(C[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923385708 644400051 /nfs/dbraw/zinc/40/00/51/644400051.db2.gz GRIGNFUOYBXQRZ-LBPRGKRZSA-N 2 1 249.362 0.742 20 0 BCADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000923395551 644402358 /nfs/dbraw/zinc/40/23/58/644402358.db2.gz SYYNNRNPDQFGDJ-UTUOFQBUSA-N 2 1 222.332 0.707 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393519 644403107 /nfs/dbraw/zinc/40/31/07/644403107.db2.gz RUZAYOKIAXDDTK-MOENNCHZSA-N 2 1 244.404 0.914 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923388747 644403206 /nfs/dbraw/zinc/40/32/06/644403206.db2.gz UKMADBZACLNDDT-TUAOUCFPSA-N 2 1 244.404 0.771 20 0 BCADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000923395546 644403298 /nfs/dbraw/zinc/40/32/98/644403298.db2.gz SYYNNRNPDQFGDJ-SRVKXCTJSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398055 644404794 /nfs/dbraw/zinc/40/47/94/644404794.db2.gz JPMGSPJFBZUXKD-JHJVBQTASA-N 2 1 242.363 0.586 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398055 644404800 /nfs/dbraw/zinc/40/48/00/644404800.db2.gz JPMGSPJFBZUXKD-JHJVBQTASA-N 2 1 242.363 0.586 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399360 644405302 /nfs/dbraw/zinc/40/53/02/644405302.db2.gz QYEMFBQGENUQEQ-RWMBFGLXSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399360 644405305 /nfs/dbraw/zinc/40/53/05/644405305.db2.gz QYEMFBQGENUQEQ-RWMBFGLXSA-N 2 1 242.363 0.587 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923400529 644406297 /nfs/dbraw/zinc/40/62/97/644406297.db2.gz ZCEZQDNTFGVHII-HBNTYKKESA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923400529 644406312 /nfs/dbraw/zinc/40/63/12/644406312.db2.gz ZCEZQDNTFGVHII-HBNTYKKESA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923400528 644407550 /nfs/dbraw/zinc/40/75/50/644407550.db2.gz ZCEZQDNTFGVHII-GMTAPVOTSA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923400528 644407554 /nfs/dbraw/zinc/40/75/54/644407554.db2.gz ZCEZQDNTFGVHII-GMTAPVOTSA-N 2 1 230.377 0.524 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408543 644412045 /nfs/dbraw/zinc/41/20/45/644412045.db2.gz ATPBJCHRHDUDRU-GHMZBOCLSA-N 2 1 218.341 0.441 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408543 644412050 /nfs/dbraw/zinc/41/20/50/644412050.db2.gz ATPBJCHRHDUDRU-GHMZBOCLSA-N 2 1 218.341 0.441 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923412761 644413167 /nfs/dbraw/zinc/41/31/67/644413167.db2.gz ASQXMSGHKKAESW-YPMHNXCESA-N 2 1 244.379 0.691 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923412759 644413241 /nfs/dbraw/zinc/41/32/41/644413241.db2.gz ASQXMSGHKKAESW-DGCLKSJQSA-N 2 1 244.379 0.691 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411539 644413682 /nfs/dbraw/zinc/41/36/82/644413682.db2.gz NADRFEMQCKZVQY-KXUCPTDWSA-N 2 1 218.366 0.237 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412643 644414060 /nfs/dbraw/zinc/41/40/60/644414060.db2.gz RYRJGHWVBNMZKV-OLZOCXBDSA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412643 644414062 /nfs/dbraw/zinc/41/40/62/644414062.db2.gz RYRJGHWVBNMZKV-OLZOCXBDSA-N 2 1 244.379 0.977 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429602 644422737 /nfs/dbraw/zinc/42/27/37/644422737.db2.gz YXAIZCDDSKUHKD-GMTAPVOTSA-N 2 1 232.393 0.627 20 0 BCADMP FC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421448 644425359 /nfs/dbraw/zinc/42/53/59/644425359.db2.gz BWMYWTKPQUEQGX-MNOVXSKESA-N 2 1 228.311 0.656 20 0 BCADMP C([C@@H]1CCOC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455127 644434717 /nfs/dbraw/zinc/43/47/17/644434717.db2.gz QMHZEHCBKSCZIJ-SDDRHHMPSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455127 644434720 /nfs/dbraw/zinc/43/47/20/644434720.db2.gz QMHZEHCBKSCZIJ-SDDRHHMPSA-N 2 1 210.321 0.707 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000923454326 644443204 /nfs/dbraw/zinc/44/32/04/644443204.db2.gz GSBUIKCJXYFFBR-RWMBFGLXSA-N 3 1 223.364 0.670 20 0 BCADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000923454326 644443208 /nfs/dbraw/zinc/44/32/08/644443208.db2.gz GSBUIKCJXYFFBR-RWMBFGLXSA-N 3 1 223.364 0.670 20 0 BCADMP C[C@@H]([NH3+])c1nc(C(=O)NCCC[NH3+])cs1 ZINC000085548804 644443824 /nfs/dbraw/zinc/44/38/24/644443824.db2.gz SGYVTAJWTIUUJV-ZCFIWIBFSA-N 2 1 228.321 0.241 20 0 BCADMP N[C@]1(CO)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470886 644450240 /nfs/dbraw/zinc/45/02/40/644450240.db2.gz BWEKNEPGSCUZHJ-CHWSQXEVSA-N 2 1 241.379 0.162 20 0 BCADMP N[C@]1(CO)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470886 644450245 /nfs/dbraw/zinc/45/02/45/644450245.db2.gz BWEKNEPGSCUZHJ-CHWSQXEVSA-N 2 1 241.379 0.162 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790480 644452491 /nfs/dbraw/zinc/45/24/91/644452491.db2.gz LBAWTEISVDKCOE-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790480 644452495 /nfs/dbraw/zinc/45/24/95/644452495.db2.gz LBAWTEISVDKCOE-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP CCO[C@@H](C[N@@H+]1CCC[C@@](N)(CO)C1)C1CC1 ZINC000923475195 644453179 /nfs/dbraw/zinc/45/31/79/644453179.db2.gz OJVZODFKUYOPJF-STQMWFEESA-N 2 1 242.363 0.587 20 0 BCADMP CCO[C@@H](C[N@H+]1CCC[C@@](N)(CO)C1)C1CC1 ZINC000923475195 644453194 /nfs/dbraw/zinc/45/31/94/644453194.db2.gz OJVZODFKUYOPJF-STQMWFEESA-N 2 1 242.363 0.587 20 0 BCADMP N[C@@]1(CO)CCC[N@H+](CCCCCC[NH3+])C1 ZINC000923475171 644453245 /nfs/dbraw/zinc/45/32/45/644453245.db2.gz OBVDLDUGTGYLLO-LBPRGKRZSA-N 2 1 229.368 0.291 20 0 BCADMP N[C@@]1(CO)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000923475171 644453250 /nfs/dbraw/zinc/45/32/50/644453250.db2.gz OBVDLDUGTGYLLO-LBPRGKRZSA-N 2 1 229.368 0.291 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483854 644460055 /nfs/dbraw/zinc/46/00/55/644460055.db2.gz FYEJZYODQQNMOZ-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ncn1 ZINC000923480853 644460205 /nfs/dbraw/zinc/46/02/05/644460205.db2.gz KRCVEYIZNQIBME-LLVKDONJSA-N 2 1 220.320 0.956 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495133 644461570 /nfs/dbraw/zinc/46/15/70/644461570.db2.gz UECQSOLWSXOWDZ-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923495491 644463187 /nfs/dbraw/zinc/46/31/87/644463187.db2.gz WHWDZLCVXLGYNU-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923484289 644463422 /nfs/dbraw/zinc/46/34/22/644463422.db2.gz XSQIPIZUSKUATA-NSHDSACASA-N 3 1 211.353 0.657 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923491118 644464873 /nfs/dbraw/zinc/46/48/73/644464873.db2.gz RBWBHTPPAJYZIS-WCQYABFASA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC000923488917 644464924 /nfs/dbraw/zinc/46/49/24/644464924.db2.gz IDZXROSCIRGCQB-CMPLNLGQSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC000923488919 644464984 /nfs/dbraw/zinc/46/49/84/644464984.db2.gz IDZXROSCIRGCQB-JQWIXIFHSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H](F)CN2)CC[C@@H]1C[NH3+] ZINC000923489378 644465725 /nfs/dbraw/zinc/46/57/25/644465725.db2.gz JGFOHLYGSMGLJT-WYUUTHIRSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H](F)CN2)CC[C@@H]1C[NH3+] ZINC000923489378 644465728 /nfs/dbraw/zinc/46/57/28/644465728.db2.gz JGFOHLYGSMGLJT-WYUUTHIRSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923491538 644468022 /nfs/dbraw/zinc/46/80/22/644468022.db2.gz SQUZYMMGRMRLDD-NWDGAFQWSA-N 2 1 236.363 0.879 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491824 644468816 /nfs/dbraw/zinc/46/88/16/644468816.db2.gz UJEUUPRKYVQCQP-GARJFASQSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1C[NH3+] ZINC000923491504 644468828 /nfs/dbraw/zinc/46/88/28/644468828.db2.gz SMZBHZBEVRVGIC-ZJUUUORDSA-N 2 1 208.309 0.826 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494257 644470464 /nfs/dbraw/zinc/47/04/64/644470464.db2.gz WXLULJOSJDHYHM-OLZOCXBDSA-N 2 1 244.379 0.956 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497315 644472742 /nfs/dbraw/zinc/47/27/42/644472742.db2.gz DOIDRTBAAJAOLV-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923498977 644472963 /nfs/dbraw/zinc/47/29/63/644472963.db2.gz JMKGHRBRNUOVJR-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP COC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497529 644473498 /nfs/dbraw/zinc/47/34/98/644473498.db2.gz LUQWFDKFLZZYQD-BDAKNGLRSA-N 2 1 200.282 0.076 20 0 BCADMP COC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497530 644473592 /nfs/dbraw/zinc/47/35/92/644473592.db2.gz LUQWFDKFLZZYQD-DTWKUNHWSA-N 2 1 200.282 0.076 20 0 BCADMP CSC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514996 644477219 /nfs/dbraw/zinc/47/72/19/644477219.db2.gz NADRFEMQCKZVQY-BBBLOLIVSA-N 2 1 218.366 0.237 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516174 644479109 /nfs/dbraw/zinc/47/91/09/644479109.db2.gz TYHQEUQURYBASP-MROQNXINSA-N 2 1 224.348 0.953 20 0 BCADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515983 644479601 /nfs/dbraw/zinc/47/96/01/644479601.db2.gz PMPMTSUNDROTFF-REWJHTLYSA-N 2 1 236.359 0.954 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516228 644479653 /nfs/dbraw/zinc/47/96/53/644479653.db2.gz VZVFMEYKIRARFR-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)O[C@@H]1CCOC1 ZINC000923515668 644479696 /nfs/dbraw/zinc/47/96/96/644479696.db2.gz JXGFDMBYUYXNQW-YNEHKIRRSA-N 2 1 240.347 0.333 20 0 BCADMP FC1(F)C[C@H]1OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515617 644480663 /nfs/dbraw/zinc/48/06/63/644480663.db2.gz IOLBRZXXRXQQES-HBNTYKKESA-N 2 1 246.301 0.952 20 0 BCADMP FC1(F)C[C@H]1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515617 644480669 /nfs/dbraw/zinc/48/06/69/644480669.db2.gz IOLBRZXXRXQQES-HBNTYKKESA-N 2 1 246.301 0.952 20 0 BCADMP CCN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923522244 644486709 /nfs/dbraw/zinc/48/67/09/644486709.db2.gz QRKGUQASIWQTOJ-QJPTWQEYSA-N 2 1 237.347 0.149 20 0 BCADMP COC[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923556441 644501538 /nfs/dbraw/zinc/50/15/38/644501538.db2.gz GZRVRVHDIUKIBS-NEPJUHHUSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000248502868 644683983 /nfs/dbraw/zinc/68/39/83/644683983.db2.gz ULVBXDLNHNLSRV-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250020244 644746217 /nfs/dbraw/zinc/74/62/17/644746217.db2.gz YBDKNCOPKSIPNA-NWDGAFQWSA-N 2 1 229.368 0.282 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250020244 644746221 /nfs/dbraw/zinc/74/62/21/644746221.db2.gz YBDKNCOPKSIPNA-NWDGAFQWSA-N 2 1 229.368 0.282 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957657056 644747274 /nfs/dbraw/zinc/74/72/74/644747274.db2.gz VNICQKJEZRIOMZ-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000250359867 644754087 /nfs/dbraw/zinc/75/40/87/644754087.db2.gz SYVLSFAHCYIAAG-SNVBAGLBSA-N 2 1 235.335 0.898 20 0 BCADMP C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251126750 644794646 /nfs/dbraw/zinc/79/46/46/644794646.db2.gz SKFUAKMUYACBNJ-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251126750 644794656 /nfs/dbraw/zinc/79/46/56/644794656.db2.gz SKFUAKMUYACBNJ-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000251775556 644822593 /nfs/dbraw/zinc/82/25/93/644822593.db2.gz MQHSRVWNDYAFRS-QWRGUYRKSA-N 2 1 248.392 0.338 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251898161 644829605 /nfs/dbraw/zinc/82/96/05/644829605.db2.gz WOUNUJHSEBOHDR-TUAOUCFPSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251898163 644831074 /nfs/dbraw/zinc/83/10/74/644831074.db2.gz WOUNUJHSEBOHDR-UTUOFQBUSA-N 2 1 230.352 0.443 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414950 644904404 /nfs/dbraw/zinc/90/44/04/644904404.db2.gz YTWDGVGTCLHRAG-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000843078048 645261924 /nfs/dbraw/zinc/26/19/24/645261924.db2.gz JSGSWNDFBSYNLM-STQMWFEESA-N 2 1 238.331 0.198 20 0 BCADMP c1c[nH]c([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)n1 ZINC000843389751 645289182 /nfs/dbraw/zinc/28/91/82/645289182.db2.gz QPVBAWVSSOVASG-GFCCVEGCSA-N 2 1 249.362 0.452 20 0 BCADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)n1 ZINC000843389751 645289186 /nfs/dbraw/zinc/28/91/86/645289186.db2.gz QPVBAWVSSOVASG-GFCCVEGCSA-N 2 1 249.362 0.452 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000844184219 645316454 /nfs/dbraw/zinc/31/64/54/645316454.db2.gz DWKBYCWGMJVAQG-GFCCVEGCSA-N 2 1 241.379 0.690 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000844187901 645317322 /nfs/dbraw/zinc/31/73/22/645317322.db2.gz MDHZCEXMYVQZOJ-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926709063 645371676 /nfs/dbraw/zinc/37/16/76/645371676.db2.gz XQFQMNLHTOVIPC-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926709063 645371684 /nfs/dbraw/zinc/37/16/84/645371684.db2.gz XQFQMNLHTOVIPC-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](O)C1 ZINC000926734511 645392075 /nfs/dbraw/zinc/39/20/75/645392075.db2.gz YHGUMGWBGXGYQK-UMRKGXGASA-N 2 1 210.321 0.440 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)C[NH+](C)C ZINC000926960926 645502968 /nfs/dbraw/zinc/50/29/68/645502968.db2.gz HQZIVCJZCXHURN-FRRDWIJNSA-N 2 1 244.379 0.968 20 0 BCADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925488302 645508567 /nfs/dbraw/zinc/50/85/67/645508567.db2.gz RHBZHZULNJFUPY-MNOVXSKESA-N 2 1 209.337 0.565 20 0 BCADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928428230 645743156 /nfs/dbraw/zinc/74/31/56/645743156.db2.gz VUVVBODZGLHZGS-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928429755 645747071 /nfs/dbraw/zinc/74/70/71/645747071.db2.gz RVTLXEODLYPVEC-AEJSXWLSSA-N 2 1 213.325 0.145 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928432137 645749671 /nfs/dbraw/zinc/74/96/71/645749671.db2.gz PKNQRFXISXTPQT-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928432137 645749678 /nfs/dbraw/zinc/74/96/78/645749678.db2.gz PKNQRFXISXTPQT-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928432137 645749686 /nfs/dbraw/zinc/74/96/86/645749686.db2.gz PKNQRFXISXTPQT-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928432861 645753836 /nfs/dbraw/zinc/75/38/36/645753836.db2.gz KXCWAJAQDMTIJC-KOLCDFICSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928432861 645753844 /nfs/dbraw/zinc/75/38/44/645753844.db2.gz KXCWAJAQDMTIJC-KOLCDFICSA-N 2 1 236.319 0.400 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000221887538 645893922 /nfs/dbraw/zinc/89/39/22/645893922.db2.gz SHRVDDSBULMCSH-SECBINFHSA-N 2 1 212.341 0.993 20 0 BCADMP COC(=O)c1cc(C[NH2+]C2CC[NH2+]CC2)c[nH]1 ZINC000929063845 645931880 /nfs/dbraw/zinc/93/18/80/645931880.db2.gz HVJLHDSDXDGOKT-UHFFFAOYSA-N 2 1 237.303 0.643 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929470813 646129770 /nfs/dbraw/zinc/12/97/70/646129770.db2.gz OZZSWRKQZFJTSI-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929470813 646129776 /nfs/dbraw/zinc/12/97/76/646129776.db2.gz OZZSWRKQZFJTSI-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929470816 646131536 /nfs/dbraw/zinc/13/15/36/646131536.db2.gz OZZSWRKQZFJTSI-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929470816 646131546 /nfs/dbraw/zinc/13/15/46/646131546.db2.gz OZZSWRKQZFJTSI-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H]1CC2(CC([NH2+]C[C@@H](O)C[NH+](C)C)C2)CO1 ZINC000924993178 646153016 /nfs/dbraw/zinc/15/30/16/646153016.db2.gz PJPSNMZPQFDUSS-GMKTYKIGSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000924995295 646154327 /nfs/dbraw/zinc/15/43/27/646154327.db2.gz VCHMGLDRLOFTSK-MOENNCHZSA-N 2 1 230.352 0.455 20 0 BCADMP C[N@H+]1CCC[C@@H](CN[C@H]2C(=O)NCC2(C)C)C1 ZINC000925011568 646158158 /nfs/dbraw/zinc/15/81/58/646158158.db2.gz QVJNIKYTHGLEIO-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000925011568 646158163 /nfs/dbraw/zinc/15/81/63/646158163.db2.gz QVJNIKYTHGLEIO-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000929639540 646214752 /nfs/dbraw/zinc/21/47/52/646214752.db2.gz POBUJALVSDZHBL-NEPJUHHUSA-N 2 1 242.363 0.146 20 0 BCADMP CC[C@@H](CO)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638029 646217429 /nfs/dbraw/zinc/21/74/29/646217429.db2.gz UHTKDCVYXBFSIX-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929656811 646226086 /nfs/dbraw/zinc/22/60/86/646226086.db2.gz HYWSKSZQBYOMST-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929656811 646226088 /nfs/dbraw/zinc/22/60/88/646226088.db2.gz HYWSKSZQBYOMST-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925305195 646233690 /nfs/dbraw/zinc/23/36/90/646233690.db2.gz AMPVPTKXZMJOLZ-MNOVXSKESA-N 2 1 240.351 0.036 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000925305195 646233694 /nfs/dbraw/zinc/23/36/94/646233694.db2.gz AMPVPTKXZMJOLZ-MNOVXSKESA-N 2 1 240.351 0.036 20 0 BCADMP C[C@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925305201 646233880 /nfs/dbraw/zinc/23/38/80/646233880.db2.gz AMPVPTKXZMJOLZ-WDEREUQCSA-N 2 1 240.351 0.036 20 0 BCADMP C[C@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000925305201 646233884 /nfs/dbraw/zinc/23/38/84/646233884.db2.gz AMPVPTKXZMJOLZ-WDEREUQCSA-N 2 1 240.351 0.036 20 0 BCADMP OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929691194 646246755 /nfs/dbraw/zinc/24/67/55/646246755.db2.gz ZRTAEKABMPXOOZ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929691194 646246757 /nfs/dbraw/zinc/24/67/57/646246757.db2.gz ZRTAEKABMPXOOZ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H](CCNC(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000925436023 646281860 /nfs/dbraw/zinc/28/18/60/646281860.db2.gz VVMIAJTZSQMZQF-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[N@@H+](C)C1CC1 ZINC000925496284 646292900 /nfs/dbraw/zinc/29/29/00/646292900.db2.gz PUYPHIULLNCUPO-WDEREUQCSA-N 2 1 227.352 0.047 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925481794 646295614 /nfs/dbraw/zinc/29/56/14/646295614.db2.gz KYSYOGNVSRHLAB-SWYYREQYSA-N 2 1 238.375 0.979 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929780356 646307856 /nfs/dbraw/zinc/30/78/56/646307856.db2.gz QTQTXPIZSGVNNY-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929780356 646307862 /nfs/dbraw/zinc/30/78/62/646307862.db2.gz QTQTXPIZSGVNNY-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929780356 646307865 /nfs/dbraw/zinc/30/78/65/646307865.db2.gz QTQTXPIZSGVNNY-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929780356 646307872 /nfs/dbraw/zinc/30/78/72/646307872.db2.gz QTQTXPIZSGVNNY-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925520323 646310627 /nfs/dbraw/zinc/31/06/27/646310627.db2.gz XCLBGODCTKFEMN-LBPRGKRZSA-N 2 1 243.395 0.685 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925519626 646312617 /nfs/dbraw/zinc/31/26/17/646312617.db2.gz VAMFDMJGXCDPSA-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925519627 646313611 /nfs/dbraw/zinc/31/36/11/646313611.db2.gz VAMFDMJGXCDPSA-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(COC)COC)C1 ZINC000929789405 646317024 /nfs/dbraw/zinc/31/70/24/646317024.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C(COC)COC)C1 ZINC000929789405 646317032 /nfs/dbraw/zinc/31/70/32/646317032.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C(COC)COC)C1 ZINC000929789405 646317038 /nfs/dbraw/zinc/31/70/38/646317038.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C(COC)COC)C1 ZINC000929789405 646317048 /nfs/dbraw/zinc/31/70/48/646317048.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C(COC)COC)C1 ZINC000929789405 646317053 /nfs/dbraw/zinc/31/70/53/646317053.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 1 244.379 0.921 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925543988 646317574 /nfs/dbraw/zinc/31/75/74/646317574.db2.gz PAIBTRIJKIWXJI-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550389 646327117 /nfs/dbraw/zinc/32/71/17/646327117.db2.gz LUDUNSGZYZGCBZ-OLZOCXBDSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000925550559 646329346 /nfs/dbraw/zinc/32/93/46/646329346.db2.gz BNQPHIKWFMCYBY-YNEHKIRRSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925566957 646337492 /nfs/dbraw/zinc/33/74/92/646337492.db2.gz MRABNFCORAJXKU-AVGNSLFASA-N 2 1 242.363 0.770 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574510 646342366 /nfs/dbraw/zinc/34/23/66/646342366.db2.gz RKKJXNIOCPCPEN-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000925578303 646344812 /nfs/dbraw/zinc/34/48/12/646344812.db2.gz USMWMUWYBYZKKD-GHMZBOCLSA-N 2 1 249.362 0.631 20 0 BCADMP COCC1([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925604046 646355870 /nfs/dbraw/zinc/35/58/70/646355870.db2.gz UOWKADWKIIXEMO-NGDQXYMTSA-N 2 1 222.332 0.751 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925605213 646357243 /nfs/dbraw/zinc/35/72/43/646357243.db2.gz DCSZVBJEMAAUSL-SECBINFHSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925609360 646360602 /nfs/dbraw/zinc/36/06/02/646360602.db2.gz TZGLDAFFVZIQGJ-CMPLNLGQSA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000925614301 646362227 /nfs/dbraw/zinc/36/22/27/646362227.db2.gz IAKLPWFQXQGFLL-CMPLNLGQSA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)(CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925616002 646365263 /nfs/dbraw/zinc/36/52/63/646365263.db2.gz JTHGOXCKCPPOMN-VIFPVBQESA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000925616728 646365344 /nfs/dbraw/zinc/36/53/44/646365344.db2.gz NJPSIQZLLMZKDS-UHTWSYAYSA-N 2 1 242.363 0.504 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925617277 646366078 /nfs/dbraw/zinc/36/60/78/646366078.db2.gz CIYHGECGZUTIOY-NXEZZACHSA-N 2 1 200.326 0.733 20 0 BCADMP CC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925621563 646368476 /nfs/dbraw/zinc/36/84/76/646368476.db2.gz FFQXNEKLANLCGN-VHSXEESVSA-N 2 1 200.326 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000925624401 646370159 /nfs/dbraw/zinc/37/01/59/646370159.db2.gz WVVIWTRFGRQJFV-KOLCDFICSA-N 2 1 230.377 0.585 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925625092 646371600 /nfs/dbraw/zinc/37/16/00/646371600.db2.gz APIVSCYTIMXIHC-NEPJUHHUSA-N 2 1 242.363 0.648 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000929962420 646379489 /nfs/dbraw/zinc/37/94/89/646379489.db2.gz TWSMUAMCCDCPOX-PWSUYJOCSA-N 2 1 230.352 0.191 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925646875 646387747 /nfs/dbraw/zinc/38/77/47/646387747.db2.gz XXJWHFRGOJHASY-AIGXORKKSA-N 2 1 224.348 0.996 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000925653927 646392666 /nfs/dbraw/zinc/39/26/66/646392666.db2.gz CHMXHJRSSNUBEO-SRVKXCTJSA-N 2 1 242.363 0.362 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925660690 646396282 /nfs/dbraw/zinc/39/62/82/646396282.db2.gz SPYYPLSSYPLJEF-QCXCNERSSA-N 2 1 242.363 0.647 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925673735 646402931 /nfs/dbraw/zinc/40/29/31/646402931.db2.gz PGDXPFNTRNJCMA-GHMZBOCLSA-N 2 1 214.353 0.981 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925673736 646403334 /nfs/dbraw/zinc/40/33/34/646403334.db2.gz PGDXPFNTRNJCMA-MNOVXSKESA-N 2 1 214.353 0.981 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000925676396 646405779 /nfs/dbraw/zinc/40/57/79/646405779.db2.gz IROVSSDCLGQEDR-PWSUYJOCSA-N 2 1 237.351 0.478 20 0 BCADMP C[N@H+]1CCC[C@@H](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925686375 646412778 /nfs/dbraw/zinc/41/27/78/646412778.db2.gz SKUPHKONDHVJSJ-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CNCCOC2)C1 ZINC000925686375 646412783 /nfs/dbraw/zinc/41/27/83/646412783.db2.gz SKUPHKONDHVJSJ-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CNCCOC2)C1 ZINC000925686375 646412788 /nfs/dbraw/zinc/41/27/88/646412788.db2.gz SKUPHKONDHVJSJ-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP Cn1cnc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925689107 646414391 /nfs/dbraw/zinc/41/43/91/646414391.db2.gz AXZWICJMFSYMGV-GFCCVEGCSA-N 2 1 234.347 0.837 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000925688034 646414998 /nfs/dbraw/zinc/41/49/98/646414998.db2.gz BAIQYPOICIKOJO-QWRGUYRKSA-N 2 1 212.337 0.878 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925689660 646417189 /nfs/dbraw/zinc/41/71/89/646417189.db2.gz UKWXIHCMSVULDX-MNOVXSKESA-N 2 1 239.363 0.775 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925700599 646425383 /nfs/dbraw/zinc/42/53/83/646425383.db2.gz VRHMUGMKKVYXFT-JGVFFNPUSA-N 2 1 219.279 0.440 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925703978 646429034 /nfs/dbraw/zinc/42/90/34/646429034.db2.gz FPKUTEBDGOIJHO-KBPBESRZSA-N 2 1 235.375 0.932 20 0 BCADMP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717163 646440572 /nfs/dbraw/zinc/44/05/72/646440572.db2.gz FOFOPVLXGPZCEY-OPRDCNLKSA-N 2 1 241.335 0.254 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925718085 646442161 /nfs/dbraw/zinc/44/21/61/646442161.db2.gz GIJFQRDGHMGUKI-DCAQKATOSA-N 2 1 237.347 0.515 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000925725587 646448440 /nfs/dbraw/zinc/44/84/40/646448440.db2.gz AUGGSVRQKIQHNQ-YTWAJWBKSA-N 2 1 209.337 0.583 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726560 646451900 /nfs/dbraw/zinc/45/19/00/646451900.db2.gz JLFURXDROLOGPZ-TUAOUCFPSA-N 2 1 223.364 0.988 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925726651 646451980 /nfs/dbraw/zinc/45/19/80/646451980.db2.gz VMLNLWXUHZEHPS-IJLUTSLNSA-N 2 1 227.352 0.082 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000925725583 646451998 /nfs/dbraw/zinc/45/19/98/646451998.db2.gz AUGGSVRQKIQHNQ-LMLFDSFASA-N 2 1 209.337 0.583 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925770774 646470520 /nfs/dbraw/zinc/47/05/20/646470520.db2.gz JAFYJVDBEZUCMK-BXKDBHETSA-N 2 1 220.320 0.704 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925770777 646470981 /nfs/dbraw/zinc/47/09/81/646470981.db2.gz JAFYJVDBEZUCMK-SKDRFNHKSA-N 2 1 220.320 0.704 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000925787040 646482492 /nfs/dbraw/zinc/48/24/92/646482492.db2.gz RYFXQNOQDUPMPL-NOOOWODRSA-N 2 1 211.353 0.559 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925797623 646487113 /nfs/dbraw/zinc/48/71/13/646487113.db2.gz URUMYBRFPJRFMK-NIDFBQPUSA-N 2 1 249.402 0.818 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925821728 646494999 /nfs/dbraw/zinc/49/49/99/646494999.db2.gz IILJEHUTYMWRTI-RTBKNWGFSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000925831413 646501545 /nfs/dbraw/zinc/50/15/45/646501545.db2.gz ITLCFVNUYPZIFX-LBELIVKGSA-N 2 1 240.347 0.520 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])CN(C)C ZINC000925838119 646504030 /nfs/dbraw/zinc/50/40/30/646504030.db2.gz JXJNTXNGEDBMQT-SDDRHHMPSA-N 2 1 231.384 0.669 20 0 BCADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CN(C)C ZINC000925836228 646504907 /nfs/dbraw/zinc/50/49/07/646504907.db2.gz JCJGWZHDTDMCHM-FRRDWIJNSA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])CN(C)C ZINC000925838118 646505066 /nfs/dbraw/zinc/50/50/66/646505066.db2.gz JXJNTXNGEDBMQT-QJPTWQEYSA-N 2 1 231.384 0.669 20 0 BCADMP C1C[C@H]([C@H]2CCCC[NH2+]2)[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925860260 646512796 /nfs/dbraw/zinc/51/27/96/646512796.db2.gz OHFLSYQZDYOFFV-LPWJVIDDSA-N 2 1 239.363 0.790 20 0 BCADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858783 646513010 /nfs/dbraw/zinc/51/30/10/646513010.db2.gz CXAKGCZNEKNUJC-AGIUHOORSA-N 2 1 239.363 0.648 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CNOC1)[NH2+]2 ZINC000925863652 646516843 /nfs/dbraw/zinc/51/68/43/646516843.db2.gz DHERHYKXLAGNMA-LADJIXMOSA-N 2 1 211.309 0.008 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H]2CCC[C@@H]21 ZINC000925865315 646517075 /nfs/dbraw/zinc/51/70/75/646517075.db2.gz GGQOSDDEPYNHRY-USZNOCQGSA-N 2 1 225.336 0.352 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879357 646529706 /nfs/dbraw/zinc/52/97/06/646529706.db2.gz BWEZZPYOCJIIBO-WISYIIOYSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000925880336 646529788 /nfs/dbraw/zinc/52/97/88/646529788.db2.gz PHVRMSACXZBQCJ-WISYIIOYSA-N 2 1 211.353 0.844 20 0 BCADMP Cn1ccc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)n1 ZINC000926171031 646589269 /nfs/dbraw/zinc/58/92/69/646589269.db2.gz NLIWEDQSBLFZRS-ONXXMXGDSA-N 2 1 248.374 0.892 20 0 BCADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926173543 646589634 /nfs/dbraw/zinc/58/96/34/646589634.db2.gz LDUFMMSAFDQDMX-JSGCOSHPSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926173543 646589638 /nfs/dbraw/zinc/58/96/38/646589638.db2.gz LDUFMMSAFDQDMX-JSGCOSHPSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ncco1 ZINC000926252651 646605284 /nfs/dbraw/zinc/60/52/84/646605284.db2.gz FYIRAHAPHKBDPW-JTQLQIEISA-N 2 1 227.308 0.903 20 0 BCADMP Cc1nonc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000926255713 646605710 /nfs/dbraw/zinc/60/57/10/646605710.db2.gz SHJNBCKNJGAGGR-VIFPVBQESA-N 2 1 242.323 0.607 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)N1CC[C@H](CC[NH3+])C1 ZINC000926383131 646630023 /nfs/dbraw/zinc/63/00/23/646630023.db2.gz QYNBQWNUMIVGKF-QWHCGFSZSA-N 2 1 240.395 0.598 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708771 711535250 /nfs/dbraw/zinc/53/52/50/711535250.db2.gz ICHKAEHCJAXKOI-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886954 711543086 /nfs/dbraw/zinc/54/30/86/711543086.db2.gz OZQUCEPXNPQSSS-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1CC[NH3+] ZINC000723884640 711543544 /nfs/dbraw/zinc/54/35/44/711543544.db2.gz UQBBPCNIZJQZJA-VXGBXAGGSA-N 2 1 222.336 0.800 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724912405 711627027 /nfs/dbraw/zinc/62/70/27/711627027.db2.gz CWOFGRGSHXIXCA-WOPDTQHZSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720900777 711686980 /nfs/dbraw/zinc/68/69/80/711686980.db2.gz QTKCCNNRRIXYSY-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP Cn1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000309282066 711696501 /nfs/dbraw/zinc/69/65/01/711696501.db2.gz UASRQZJOPGSPKR-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000309282066 711696502 /nfs/dbraw/zinc/69/65/02/711696502.db2.gz UASRQZJOPGSPKR-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779450 /nfs/dbraw/zinc/77/94/50/711779450.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779451 /nfs/dbraw/zinc/77/94/51/711779451.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779452 /nfs/dbraw/zinc/77/94/52/711779452.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000928564418 711778583 /nfs/dbraw/zinc/77/85/83/711778583.db2.gz UHCPUQQNECTRLT-NSHDSACASA-N 2 1 225.336 0.149 20 0 BCADMP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159980172 711805550 /nfs/dbraw/zinc/80/55/50/711805550.db2.gz VEIAJRCNTSONLX-HSMVNMDESA-N 2 1 244.404 0.971 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000379711986 711808755 /nfs/dbraw/zinc/80/87/55/711808755.db2.gz FSQKEELPFZGXOB-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000379711986 711808757 /nfs/dbraw/zinc/80/87/57/711808757.db2.gz FSQKEELPFZGXOB-GFCCVEGCSA-N 2 1 212.337 0.927 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724174 711893410 /nfs/dbraw/zinc/89/34/10/711893410.db2.gz MTILQJLYMFVXPO-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@@H](CS(C)(=O)=O)NCCC[NH+]1CCCC1 ZINC000081899034 711903324 /nfs/dbraw/zinc/90/33/24/711903324.db2.gz UXOQQWNGGWQCOW-NSHDSACASA-N 2 1 248.392 0.495 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC)[NH+](C)C ZINC001032474028 711920079 /nfs/dbraw/zinc/92/00/79/711920079.db2.gz LPKYLHUYBGQNBK-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC)[NH+](C)C ZINC001032474028 711920080 /nfs/dbraw/zinc/92/00/80/711920080.db2.gz LPKYLHUYBGQNBK-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000702075968 712038077 /nfs/dbraw/zinc/03/80/77/712038077.db2.gz IYMNINOVINCFDY-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP FCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000702655349 712058557 /nfs/dbraw/zinc/05/85/57/712058557.db2.gz WZDRATYDLZLDSX-NGDQXYMTSA-N 2 1 228.311 0.559 20 0 BCADMP COC(CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)OC ZINC000706204403 712140625 /nfs/dbraw/zinc/14/06/25/712140625.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 1 242.363 0.879 20 0 BCADMP COC(C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)OC ZINC000706204403 712140626 /nfs/dbraw/zinc/14/06/26/712140626.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 1 242.363 0.879 20 0 BCADMP COC(C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1)OC ZINC000706204403 712140629 /nfs/dbraw/zinc/14/06/29/712140629.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 1 242.363 0.879 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]1C ZINC000706762868 712154326 /nfs/dbraw/zinc/15/43/26/712154326.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 1 200.326 0.782 20 0 BCADMP CSC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000706813724 712156399 /nfs/dbraw/zinc/15/63/99/712156399.db2.gz DTKQZWROWJSZIA-ILDUYXDCSA-N 2 1 230.377 0.537 20 0 BCADMP CSC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000706813724 712156400 /nfs/dbraw/zinc/15/64/00/712156400.db2.gz DTKQZWROWJSZIA-ILDUYXDCSA-N 2 1 230.377 0.537 20 0 BCADMP CC[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000707891350 712172243 /nfs/dbraw/zinc/17/22/43/712172243.db2.gz CUBIMLVGOAXZBL-MNOVXSKESA-N 2 1 200.326 0.831 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000707501974 712172391 /nfs/dbraw/zinc/17/23/91/712172391.db2.gz MTRYUKALNZGBCH-PJXYFTJBSA-N 2 1 240.347 0.822 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000707501974 712172393 /nfs/dbraw/zinc/17/23/93/712172393.db2.gz MTRYUKALNZGBCH-PJXYFTJBSA-N 2 1 240.347 0.822 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC ZINC000709905416 712232236 /nfs/dbraw/zinc/23/22/36/712232236.db2.gz RILSUDHNXXLCOG-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H](C)C[NH+](C)C ZINC000710955689 712267646 /nfs/dbraw/zinc/26/76/46/712267646.db2.gz DEFAGNYUOZGDOZ-MNOVXSKESA-N 2 1 230.352 0.925 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000711040977 712276154 /nfs/dbraw/zinc/27/61/54/712276154.db2.gz KINIMBDFTCSUSE-NSHDSACASA-N 2 1 239.319 0.933 20 0 BCADMP CN1CC[N@H+](CCCCCC[NH3+])CC1=O ZINC000379770564 712397973 /nfs/dbraw/zinc/39/79/73/712397973.db2.gz ABZINAOVDVMLSI-UHFFFAOYSA-N 2 1 213.325 0.280 20 0 BCADMP CN1CC[N@@H+](CCCCCC[NH3+])CC1=O ZINC000379770564 712397974 /nfs/dbraw/zinc/39/79/74/712397974.db2.gz ABZINAOVDVMLSI-UHFFFAOYSA-N 2 1 213.325 0.280 20 0 BCADMP Cn1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000390461565 712418081 /nfs/dbraw/zinc/41/80/81/712418081.db2.gz CNGPOOBEKIHBNJ-UHFFFAOYSA-N 2 1 223.324 0.517 20 0 BCADMP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558487 712445882 /nfs/dbraw/zinc/44/58/82/712445882.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712558487 712445883 /nfs/dbraw/zinc/44/58/83/712445883.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712558487 712445884 /nfs/dbraw/zinc/44/58/84/712445884.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558487 712445885 /nfs/dbraw/zinc/44/58/85/712445885.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558487 712445886 /nfs/dbraw/zinc/44/58/86/712445886.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132946056 712639590 /nfs/dbraw/zinc/63/95/90/712639590.db2.gz KGHUYPSDLAIZHM-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP COC[C@H](O)CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717432594 712657981 /nfs/dbraw/zinc/65/79/81/712657981.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 1 228.336 0.162 20 0 BCADMP COC[C@H](O)CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717432594 712657983 /nfs/dbraw/zinc/65/79/83/712657983.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 1 228.336 0.162 20 0 BCADMP C[N@@H+](CCCC(C)(F)F)C[C@@H](O)C[NH3+] ZINC000718721599 712778654 /nfs/dbraw/zinc/77/86/54/712778654.db2.gz ILSSQODUWAFUKM-QMMMGPOBSA-N 2 1 210.268 0.673 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720870136 712872167 /nfs/dbraw/zinc/87/21/67/712872167.db2.gz KTNRBRYYCOLLJR-USZNOCQGSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720870136 712872168 /nfs/dbraw/zinc/87/21/68/712872168.db2.gz KTNRBRYYCOLLJR-USZNOCQGSA-N 2 1 228.336 0.195 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720897364 712876732 /nfs/dbraw/zinc/87/67/32/712876732.db2.gz HATCIPPQPKDZAP-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720896719 712876742 /nfs/dbraw/zinc/87/67/42/712876742.db2.gz DHSIGCVARHPOKH-SRVKXCTJSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000721074589 712889812 /nfs/dbraw/zinc/88/98/12/712889812.db2.gz PVVYSHIYAWGLCF-KKOKHZNYSA-N 2 1 239.363 0.428 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)C1CC1 ZINC000380363882 712897837 /nfs/dbraw/zinc/89/78/37/712897837.db2.gz ZUUOHNWFYHPOQN-NSHDSACASA-N 2 1 209.293 0.552 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000381590328 710659628 /nfs/dbraw/zinc/65/96/28/710659628.db2.gz CWVAIDGTJIMOIZ-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCSC1 ZINC000380456196 712901042 /nfs/dbraw/zinc/90/10/42/712901042.db2.gz JSPTWZTWXVAEHI-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCSC1 ZINC000380456196 712901043 /nfs/dbraw/zinc/90/10/43/712901043.db2.gz JSPTWZTWXVAEHI-NWDGAFQWSA-N 2 1 244.404 0.880 20 0 BCADMP C[C@@H](O)CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380455276 712901074 /nfs/dbraw/zinc/90/10/74/712901074.db2.gz HQFQRYRXSTUXGT-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380455276 712901075 /nfs/dbraw/zinc/90/10/75/712901075.db2.gz HQFQRYRXSTUXGT-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028039 710717155 /nfs/dbraw/zinc/71/71/55/710717155.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028039 710717159 /nfs/dbraw/zinc/71/71/59/710717159.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028039 710717163 /nfs/dbraw/zinc/71/71/63/710717163.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723599119 710729352 /nfs/dbraw/zinc/72/93/52/710729352.db2.gz IIBNMKMIBSEGOU-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+](CCC[NH3+])CCO[C@H]1CCOC1 ZINC000724914914 710748774 /nfs/dbraw/zinc/74/87/74/710748774.db2.gz OHAXKSFXESYTOC-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724921488 710749179 /nfs/dbraw/zinc/74/91/79/710749179.db2.gz LTGPIVLIDNFEOC-QWHCGFSZSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000724995986 710752843 /nfs/dbraw/zinc/75/28/43/710752843.db2.gz XSZCSKLWKMOMGU-AGIUHOORSA-N 2 1 242.363 0.709 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382079830 710773009 /nfs/dbraw/zinc/77/30/09/710773009.db2.gz VOPVYPHJAXXGMF-LIBFEPKXSA-N 2 1 224.348 0.733 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044290364 710822745 /nfs/dbraw/zinc/82/27/45/710822745.db2.gz PBUHJPNNCODCNK-SNVBAGLBSA-N 2 1 225.336 0.101 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044290364 710822748 /nfs/dbraw/zinc/82/27/48/710822748.db2.gz PBUHJPNNCODCNK-SNVBAGLBSA-N 2 1 225.336 0.101 20 0 BCADMP CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198648 710854321 /nfs/dbraw/zinc/85/43/21/710854321.db2.gz XHHXUWBSROKMDD-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198648 710854323 /nfs/dbraw/zinc/85/43/23/710854323.db2.gz XHHXUWBSROKMDD-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198649 710855142 /nfs/dbraw/zinc/85/51/42/710855142.db2.gz XHHXUWBSROKMDD-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198649 710855144 /nfs/dbraw/zinc/85/51/44/710855144.db2.gz XHHXUWBSROKMDD-WCQYABFASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000903091787 710891080 /nfs/dbraw/zinc/89/10/80/710891080.db2.gz ATOFWUVUWQCCEP-NEPJUHHUSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382924305 710974551 /nfs/dbraw/zinc/97/45/51/710974551.db2.gz SUMWKYOZAARMJQ-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382924305 710974552 /nfs/dbraw/zinc/97/45/52/710974552.db2.gz SUMWKYOZAARMJQ-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383360219 710980800 /nfs/dbraw/zinc/98/08/00/710980800.db2.gz WGOSZRAAVYSPSL-YHQUGGNUSA-N 2 1 237.391 0.913 20 0 BCADMP C[N@H+](CCCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000384867698 710998314 /nfs/dbraw/zinc/99/83/14/710998314.db2.gz QXAZENNZJCEFQR-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@@H+](CCCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000384867698 710998318 /nfs/dbraw/zinc/99/83/18/710998318.db2.gz QXAZENNZJCEFQR-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385103560 711005381 /nfs/dbraw/zinc/00/53/81/711005381.db2.gz IBJDTZJAUXKWHE-NNYUYHANSA-N 2 1 212.337 0.639 20 0 BCADMP C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385103560 711005384 /nfs/dbraw/zinc/00/53/84/711005384.db2.gz IBJDTZJAUXKWHE-NNYUYHANSA-N 2 1 212.337 0.639 20 0 BCADMP Cn1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)n1 ZINC000385495224 711014855 /nfs/dbraw/zinc/01/48/55/711014855.db2.gz JBBCGMWCKQRTMC-SZZQBSIJSA-N 2 1 246.358 0.549 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000384062476 712903048 /nfs/dbraw/zinc/90/30/48/712903048.db2.gz YIHWCJSXNJELHQ-NSHDSACASA-N 2 1 236.319 0.435 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(F)F ZINC000389953136 711100248 /nfs/dbraw/zinc/10/02/48/711100248.db2.gz YETARJAIMZVJCT-HTQZYQBOSA-N 2 1 210.268 0.984 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000390669923 711130868 /nfs/dbraw/zinc/13/08/68/711130868.db2.gz VDWHFLJTDQLAOD-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP CC(C)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000392821703 711151394 /nfs/dbraw/zinc/15/13/94/711151394.db2.gz RFUNBHPMWJEWGW-UHFFFAOYSA-N 2 1 210.325 0.771 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392807942 711152545 /nfs/dbraw/zinc/15/25/45/711152545.db2.gz DQGIJSBXLYZLQP-LBPRGKRZSA-N 2 1 239.363 0.738 20 0 BCADMP O=C(NCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000394157175 711186969 /nfs/dbraw/zinc/18/69/69/711186969.db2.gz SIDNJFXIBGMPRM-NWBUJAPZSA-N 2 1 249.358 0.099 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396543560 711353694 /nfs/dbraw/zinc/35/36/94/711353694.db2.gz BJVKNPYJUDKIHP-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000396537675 711354195 /nfs/dbraw/zinc/35/41/95/711354195.db2.gz BAESQIMSDHCSRV-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396591288 711356386 /nfs/dbraw/zinc/35/63/86/711356386.db2.gz TZNWWCNRHAXCTD-VWYCJHECSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396608608 711358875 /nfs/dbraw/zinc/35/88/75/711358875.db2.gz PVPXSUDMXOEIGS-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000396654790 711359003 /nfs/dbraw/zinc/35/90/03/711359003.db2.gz FOTFRMWRSAJGQU-CMPLNLGQSA-N 2 1 222.336 0.693 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000396707767 711366820 /nfs/dbraw/zinc/36/68/20/711366820.db2.gz NWOCVKZXVDQBRR-GVXVVHGQSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCSCC1 ZINC000396732479 711369267 /nfs/dbraw/zinc/36/92/67/711369267.db2.gz YAUQJBQYSOKDPV-NWDGAFQWSA-N 2 1 243.420 0.765 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOCCO ZINC000396726468 711369567 /nfs/dbraw/zinc/36/95/67/711369567.db2.gz YWLCUEQROGNJBA-MNOVXSKESA-N 2 1 216.325 0.116 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000398169563 711403240 /nfs/dbraw/zinc/40/32/40/711403240.db2.gz HAZKTDKWTTWRAM-MRVPVSSYSA-N 2 1 208.252 0.767 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000398169563 711403241 /nfs/dbraw/zinc/40/32/41/711403241.db2.gz HAZKTDKWTTWRAM-MRVPVSSYSA-N 2 1 208.252 0.767 20 0 BCADMP C[C@H]1C[N@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176066 711404375 /nfs/dbraw/zinc/40/43/75/711404375.db2.gz KACHRZOUCKFAGB-YUMQZZPRSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176066 711404378 /nfs/dbraw/zinc/40/43/78/711404378.db2.gz KACHRZOUCKFAGB-YUMQZZPRSA-N 2 1 208.252 0.895 20 0 BCADMP COC[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963820 710694517 /nfs/dbraw/zinc/69/45/17/710694517.db2.gz LVZUVYDBLURWEX-GHMZBOCLSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963820 710694520 /nfs/dbraw/zinc/69/45/20/710694520.db2.gz LVZUVYDBLURWEX-GHMZBOCLSA-N 2 1 200.326 0.938 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724561204 710742330 /nfs/dbraw/zinc/74/23/30/710742330.db2.gz AKHFRFBCKQVEKD-WCFLWFBJSA-N 2 1 240.347 0.474 20 0 BCADMP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045311514 710837218 /nfs/dbraw/zinc/83/72/18/710837218.db2.gz MKSDZRPOLCKLOF-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903091790 710890784 /nfs/dbraw/zinc/89/07/84/710890784.db2.gz ATOFWUVUWQCCEP-VXGBXAGGSA-N 2 1 242.363 0.600 20 0 BCADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383177601 710979368 /nfs/dbraw/zinc/97/93/68/710979368.db2.gz OZFWDPYPFHNTTA-BMLQCNMVSA-N 2 1 236.359 0.732 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384891219 711000139 /nfs/dbraw/zinc/00/01/39/711000139.db2.gz YFGQFOJTPZQPNT-GHMZBOCLSA-N 2 1 230.352 0.707 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000389985830 711102158 /nfs/dbraw/zinc/10/21/58/711102158.db2.gz LZVHFUCVNDBHJO-RYUDHWBXSA-N 2 1 212.337 0.831 20 0 BCADMP Cc1[nH+]ccn1CCNC1=[NH+]CCCN1C ZINC000395174376 711204431 /nfs/dbraw/zinc/20/44/31/711204431.db2.gz YJJJZRZWURCHOR-UHFFFAOYSA-N 2 1 221.308 0.473 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396640783 711363034 /nfs/dbraw/zinc/36/30/34/711363034.db2.gz MQFSVGSWNSDXPU-SRVKXCTJSA-N 2 1 214.353 0.981 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000723692542 711533763 /nfs/dbraw/zinc/53/37/63/711533763.db2.gz YWVDMZAJYSBKAH-MRVPVSSYSA-N 2 1 212.322 0.709 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699841 711534821 /nfs/dbraw/zinc/53/48/21/711534821.db2.gz VTRWEZCHTZFPCX-GHMZBOCLSA-N 2 1 216.325 0.055 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000723701787 711535331 /nfs/dbraw/zinc/53/53/31/711535331.db2.gz PUUBNSHHLCCKIA-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP Cn1nccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723710425 711535630 /nfs/dbraw/zinc/53/56/30/711535630.db2.gz UPZZPGBRPKKQTG-JTQLQIEISA-N 2 1 208.309 0.591 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CC[NH3+] ZINC000723883220 711543407 /nfs/dbraw/zinc/54/34/07/711543407.db2.gz NEOBFJSWPBXOIL-GHMZBOCLSA-N 2 1 223.324 0.195 20 0 BCADMP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894861 711544173 /nfs/dbraw/zinc/54/41/73/711544173.db2.gz PVZIJJBUHFBUKF-GMTAPVOTSA-N 2 1 200.326 0.938 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907189 711544772 /nfs/dbraw/zinc/54/47/72/711544772.db2.gz KIGNKSOXRQJHMM-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901468 711545059 /nfs/dbraw/zinc/54/50/59/711545059.db2.gz PKYSTGFPSMEWFN-OPRDCNLKSA-N 2 1 214.309 0.465 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCOC1 ZINC000723994563 711552263 /nfs/dbraw/zinc/55/22/63/711552263.db2.gz RTRQNAQWAXEZQS-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000724190646 711568107 /nfs/dbraw/zinc/56/81/07/711568107.db2.gz ZNLRKZHMKRJSCX-YNEHKIRRSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000724190646 711568109 /nfs/dbraw/zinc/56/81/09/711568109.db2.gz ZNLRKZHMKRJSCX-YNEHKIRRSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000724190646 711568112 /nfs/dbraw/zinc/56/81/12/711568112.db2.gz ZNLRKZHMKRJSCX-YNEHKIRRSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000724190646 711568113 /nfs/dbraw/zinc/56/81/13/711568113.db2.gz ZNLRKZHMKRJSCX-YNEHKIRRSA-N 2 1 244.379 0.797 20 0 BCADMP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000724563307 711592560 /nfs/dbraw/zinc/59/25/60/711592560.db2.gz MEFGOYIAKIYWIL-YVECIDJPSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000724563307 711592562 /nfs/dbraw/zinc/59/25/62/711592562.db2.gz MEFGOYIAKIYWIL-YVECIDJPSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724564424 711592947 /nfs/dbraw/zinc/59/29/47/711592947.db2.gz TUATZSLFDVGVFZ-MROQNXINSA-N 2 1 240.347 0.461 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724585447 711595642 /nfs/dbraw/zinc/59/56/42/711595642.db2.gz KJEQIRATSKHCLF-CLPYTZEMSA-N 2 1 240.347 0.520 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724601519 711596913 /nfs/dbraw/zinc/59/69/13/711596913.db2.gz TYUMNOUVFGMMFA-FVCCEPFGSA-N 2 1 240.347 0.461 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724601522 711596942 /nfs/dbraw/zinc/59/69/42/711596942.db2.gz TYUMNOUVFGMMFA-VOAKCMCISA-N 2 1 240.347 0.461 20 0 BCADMP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000724919792 711628154 /nfs/dbraw/zinc/62/81/54/711628154.db2.gz AOPNVQTUQMVAIB-STQMWFEESA-N 2 1 240.347 0.477 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000724919792 711628155 /nfs/dbraw/zinc/62/81/55/711628155.db2.gz AOPNVQTUQMVAIB-STQMWFEESA-N 2 1 240.347 0.477 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CC[N@H+]1C ZINC000724958050 711634179 /nfs/dbraw/zinc/63/41/79/711634179.db2.gz LFVYNMKRVTYEQM-IJLVLRJLSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CC[N@@H+]1C ZINC000724958050 711634178 /nfs/dbraw/zinc/63/41/78/711634178.db2.gz LFVYNMKRVTYEQM-IJLVLRJLSA-N 2 1 224.348 0.972 20 0 BCADMP C[N@H+](CCOC1CC1)C1(C[NH3+])CCOCC1 ZINC000725026831 711644040 /nfs/dbraw/zinc/64/40/40/711644040.db2.gz IYKABGVTXMUMMV-UHFFFAOYSA-N 2 1 228.336 0.605 20 0 BCADMP C[N@@H+](CCOC1CC1)C1(C[NH3+])CCOCC1 ZINC000725026831 711644042 /nfs/dbraw/zinc/64/40/42/711644042.db2.gz IYKABGVTXMUMMV-UHFFFAOYSA-N 2 1 228.336 0.605 20 0 BCADMP C[C@H](CCCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396570601 711701874 /nfs/dbraw/zinc/70/18/74/711701874.db2.gz LCUZFPABGBVVPJ-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000094074607 711738824 /nfs/dbraw/zinc/73/88/24/711738824.db2.gz CXKLEMZWNAWGKH-NSHDSACASA-N 2 1 241.335 0.559 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160062798 711805407 /nfs/dbraw/zinc/80/54/07/711805407.db2.gz WOEWMCJRVJJKJQ-JTQLQIEISA-N 2 1 223.324 0.469 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160062798 711805408 /nfs/dbraw/zinc/80/54/08/711805408.db2.gz WOEWMCJRVJJKJQ-JTQLQIEISA-N 2 1 223.324 0.469 20 0 BCADMP CC[S@@](=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159980429 711805575 /nfs/dbraw/zinc/80/55/75/711805575.db2.gz VEIAJRCNTSONLX-OZVIIMIRSA-N 2 1 244.404 0.971 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029747 711829961 /nfs/dbraw/zinc/82/99/61/711829961.db2.gz XPFMTWQDJAVALZ-GARJFASQSA-N 2 1 200.326 0.817 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000382505615 711873153 /nfs/dbraw/zinc/87/31/53/711873153.db2.gz VXFUNNGYEUUBEE-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724169 711893482 /nfs/dbraw/zinc/89/34/82/711893482.db2.gz YOGDIUYMJDBKRH-MNOVXSKESA-N 2 1 200.326 0.818 20 0 BCADMP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044297894 711966655 /nfs/dbraw/zinc/96/66/55/711966655.db2.gz NKMSZAKBGHQCLC-NSHDSACASA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044297894 711966656 /nfs/dbraw/zinc/96/66/56/711966656.db2.gz NKMSZAKBGHQCLC-NSHDSACASA-N 2 1 239.363 0.489 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665932 712010564 /nfs/dbraw/zinc/01/05/64/712010564.db2.gz SEILNYJOWVCUFC-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP COCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125560 712039529 /nfs/dbraw/zinc/03/95/29/712039529.db2.gz MSZPGZWBMJCCKO-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP COC(C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000702412251 712051777 /nfs/dbraw/zinc/05/17/77/712051777.db2.gz WVIMMGPGLQAVFA-CMPLNLGQSA-N 2 1 228.336 0.489 20 0 BCADMP COC(C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000702412251 712051780 /nfs/dbraw/zinc/05/17/80/712051780.db2.gz WVIMMGPGLQAVFA-CMPLNLGQSA-N 2 1 228.336 0.489 20 0 BCADMP COC(C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000702412251 712051782 /nfs/dbraw/zinc/05/17/82/712051782.db2.gz WVIMMGPGLQAVFA-CMPLNLGQSA-N 2 1 228.336 0.489 20 0 BCADMP COC(C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000702412251 712051784 /nfs/dbraw/zinc/05/17/84/712051784.db2.gz WVIMMGPGLQAVFA-CMPLNLGQSA-N 2 1 228.336 0.489 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(C)(O)CC1 ZINC000703548570 712078547 /nfs/dbraw/zinc/07/85/47/712078547.db2.gz MIRMRLIGFDWVMG-CXQJBGSLSA-N 2 1 230.352 0.192 20 0 BCADMP COC1CC(C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000703854475 712090385 /nfs/dbraw/zinc/09/03/85/712090385.db2.gz LBWBVFNNLFRARH-HTAVTVPLSA-N 2 1 228.336 0.461 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C/C=C\Cl ZINC000706666805 712151321 /nfs/dbraw/zinc/15/13/21/712151321.db2.gz ZPRQPWVUUJZJHR-ARJAWSKDSA-N 2 1 206.717 0.907 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000706708853 712152556 /nfs/dbraw/zinc/15/25/56/712152556.db2.gz YYNCBTGKWAPISA-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000706766037 712154500 /nfs/dbraw/zinc/15/45/00/712154500.db2.gz BTWHWGMECDJISO-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000706766037 712154501 /nfs/dbraw/zinc/15/45/01/712154501.db2.gz BTWHWGMECDJISO-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000707510698 712171668 /nfs/dbraw/zinc/17/16/68/712171668.db2.gz CGUBJENQNYJWBT-WCQYABFASA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000708122679 712182585 /nfs/dbraw/zinc/18/25/85/712182585.db2.gz WLJAPOPKXDLGOX-HBNTYKKESA-N 2 1 248.392 0.194 20 0 BCADMP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000708122679 712182587 /nfs/dbraw/zinc/18/25/87/712182587.db2.gz WLJAPOPKXDLGOX-HBNTYKKESA-N 2 1 248.392 0.194 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000709038788 712205880 /nfs/dbraw/zinc/20/58/80/712205880.db2.gz CICSJOIRALYWPP-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000709537206 712223855 /nfs/dbraw/zinc/22/38/55/712223855.db2.gz QMYOBNLSEVYDTE-WHOHXGKFSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000709537206 712223856 /nfs/dbraw/zinc/22/38/56/712223856.db2.gz QMYOBNLSEVYDTE-WHOHXGKFSA-N 2 1 230.352 0.441 20 0 BCADMP C[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709842588 712229514 /nfs/dbraw/zinc/22/95/14/712229514.db2.gz MQCYXJOCFAAABG-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000709965204 712235402 /nfs/dbraw/zinc/23/54/02/712235402.db2.gz ASFBOPUGHJRLED-SECBINFHSA-N 2 1 211.334 0.966 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCn1cncn1 ZINC000710730910 712255855 /nfs/dbraw/zinc/25/58/55/712255855.db2.gz YPKJYKFWHLWWMY-UHFFFAOYSA-N 2 1 225.340 0.729 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308651 712294188 /nfs/dbraw/zinc/29/41/88/712294188.db2.gz AWDXRIUKKSEMHF-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP FC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000711442144 712300868 /nfs/dbraw/zinc/30/08/68/712300868.db2.gz HWNAIZXSEJSIJR-LBPRGKRZSA-N 2 1 229.343 0.573 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711472579 712302946 /nfs/dbraw/zinc/30/29/46/712302946.db2.gz XUGZLAIKHFYQKL-MNOVXSKESA-N 2 1 218.316 0.590 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711472579 712302947 /nfs/dbraw/zinc/30/29/47/712302947.db2.gz XUGZLAIKHFYQKL-MNOVXSKESA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711472579 712302948 /nfs/dbraw/zinc/30/29/48/712302948.db2.gz XUGZLAIKHFYQKL-MNOVXSKESA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711472579 712302949 /nfs/dbraw/zinc/30/29/49/712302949.db2.gz XUGZLAIKHFYQKL-MNOVXSKESA-N 2 1 218.316 0.590 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711473130 712303388 /nfs/dbraw/zinc/30/33/88/712303388.db2.gz XUGZLAIKHFYQKL-WDEREUQCSA-N 2 1 218.316 0.590 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711473130 712303389 /nfs/dbraw/zinc/30/33/89/712303389.db2.gz XUGZLAIKHFYQKL-WDEREUQCSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711473130 712303390 /nfs/dbraw/zinc/30/33/90/712303390.db2.gz XUGZLAIKHFYQKL-WDEREUQCSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711473130 712303391 /nfs/dbraw/zinc/30/33/91/712303391.db2.gz XUGZLAIKHFYQKL-WDEREUQCSA-N 2 1 218.316 0.590 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540655 712309734 /nfs/dbraw/zinc/30/97/34/712309734.db2.gz DYRDAMATFLVPCS-AOOOYVTPSA-N 2 1 216.350 0.257 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479753 712334242 /nfs/dbraw/zinc/33/42/42/712334242.db2.gz SLNHJRUFUWPJGT-OLZOCXBDSA-N 2 1 244.379 0.691 20 0 BCADMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479745 712334255 /nfs/dbraw/zinc/33/42/55/712334255.db2.gz CNXPJRDPLBKRCN-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000923479434 712334602 /nfs/dbraw/zinc/33/46/02/712334602.db2.gz OVQOEJILRCUWCI-WDEREUQCSA-N 2 1 235.335 0.436 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000712577590 712432611 /nfs/dbraw/zinc/43/26/11/712432611.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712577590 712432612 /nfs/dbraw/zinc/43/26/12/712432612.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP CC[NH+]1CC[C@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577590 712432613 /nfs/dbraw/zinc/43/26/13/712432613.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 1 241.379 0.125 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712615583 712438631 /nfs/dbraw/zinc/43/86/31/712438631.db2.gz OMEDLOHAMJEJRS-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712627427 712438785 /nfs/dbraw/zinc/43/87/85/712438785.db2.gz UHUSYQHZKNSNHS-PHIMTYICSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712632406 712439186 /nfs/dbraw/zinc/43/91/86/712439186.db2.gz LPFGHJHTVOFIIO-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712686752 712440588 /nfs/dbraw/zinc/44/05/88/712440588.db2.gz DOGYUFQZCHELHU-GFCCVEGCSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670591 712440642 /nfs/dbraw/zinc/44/06/42/712440642.db2.gz LFFDWWDLFJMKQK-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672059 712440669 /nfs/dbraw/zinc/44/06/69/712440669.db2.gz GANSASAYGXPONF-GHMZBOCLSA-N 2 1 241.379 0.912 20 0 BCADMP CNc1cc(NC[C@H]2CC[N@H+]2C)ncn1 ZINC000712542217 712443367 /nfs/dbraw/zinc/44/33/67/712443367.db2.gz XOAPHBNVHLKCHL-MRVPVSSYSA-N 2 1 207.281 0.634 20 0 BCADMP CNc1cc(NC[C@H]2CCN2C)ncn1 ZINC000712542217 712443368 /nfs/dbraw/zinc/44/33/68/712443368.db2.gz XOAPHBNVHLKCHL-MRVPVSSYSA-N 2 1 207.281 0.634 20 0 BCADMP COCCOCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712554249 712444848 /nfs/dbraw/zinc/44/48/48/712444848.db2.gz JHOAZIBJLONUHV-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP COCCOCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712554249 712444849 /nfs/dbraw/zinc/44/48/49/712444849.db2.gz JHOAZIBJLONUHV-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576969 712448343 /nfs/dbraw/zinc/44/83/43/712448343.db2.gz COHMWTPILNNNBQ-STQMWFEESA-N 2 1 241.379 0.127 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)CO)CC1 ZINC000715268531 712514737 /nfs/dbraw/zinc/51/47/37/712514737.db2.gz WBSKTARZDBUWMB-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000716034166 712547272 /nfs/dbraw/zinc/54/72/72/712547272.db2.gz OTSFULSFHBHAGY-WDEREUQCSA-N 2 1 228.336 0.870 20 0 BCADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1OCCCO1 ZINC000716331220 712555081 /nfs/dbraw/zinc/55/50/81/712555081.db2.gz NRFOGGVQKOHCHV-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1OCCCO1 ZINC000716331220 712555083 /nfs/dbraw/zinc/55/50/83/712555083.db2.gz NRFOGGVQKOHCHV-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCO ZINC000379852921 712616900 /nfs/dbraw/zinc/61/69/00/712616900.db2.gz AZWIQGBFQRHFEE-JTQLQIEISA-N 2 1 211.309 0.942 20 0 BCADMP C[NH+](C)C[C@@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC000717298307 712646397 /nfs/dbraw/zinc/64/63/97/712646397.db2.gz LXRALVCGZBTKHC-QMMMGPOBSA-N 2 1 235.291 0.292 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000717416369 712656811 /nfs/dbraw/zinc/65/68/11/712656811.db2.gz BCSRYHUPMREOIV-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000717640954 712662922 /nfs/dbraw/zinc/66/29/22/712662922.db2.gz JNSPOIMWWYJYRF-WDEREUQCSA-N 2 1 212.337 0.879 20 0 BCADMP CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380162691 712702876 /nfs/dbraw/zinc/70/28/76/712702876.db2.gz VEXKYWJVCNJTSW-VXGBXAGGSA-N 2 1 242.363 0.288 20 0 BCADMP CC1(C)[C@H](O)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380162691 712702877 /nfs/dbraw/zinc/70/28/77/712702877.db2.gz VEXKYWJVCNJTSW-VXGBXAGGSA-N 2 1 242.363 0.288 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000384949420 712707104 /nfs/dbraw/zinc/70/71/04/712707104.db2.gz LKMTTYAFWCTEJN-SNVBAGLBSA-N 2 1 216.325 0.319 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000384949638 712707151 /nfs/dbraw/zinc/70/71/51/712707151.db2.gz LMIUOGIZSBABAY-ZYHUDNBSSA-N 2 1 228.336 0.332 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000717977303 712734487 /nfs/dbraw/zinc/73/44/87/712734487.db2.gz XHVSZPVDMMDNKO-HBNTYKKESA-N 2 1 225.336 0.454 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCc1ccns1 ZINC000719887170 712826601 /nfs/dbraw/zinc/82/66/01/712826601.db2.gz ROUOSGIXQINZDO-UHFFFAOYSA-N 2 1 229.349 0.593 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720887328 712874184 /nfs/dbraw/zinc/87/41/84/712874184.db2.gz IGLRSSRZABZGIK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903811 712875114 /nfs/dbraw/zinc/87/51/14/712875114.db2.gz VVXRJURUSZHLFI-SRVKXCTJSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901807 712875640 /nfs/dbraw/zinc/87/56/40/712875640.db2.gz UBXZSLODRCYKRK-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904081 712875894 /nfs/dbraw/zinc/87/58/94/712875894.db2.gz WOYQZWDYQAPBGX-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000721050014 712888792 /nfs/dbraw/zinc/88/87/92/712888792.db2.gz ARXMLFVKCKKXMM-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000082993303 349443157 /nfs/dbraw/zinc/44/31/57/349443157.db2.gz QWGNDQYJUCAQCU-YEJSDXFRSA-N 2 1 212.337 0.972 20 0 BCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322628 398144688 /nfs/dbraw/zinc/14/46/88/398144688.db2.gz AUCQBSUMAHAYQY-XQHKEYJVSA-N 2 1 249.358 0.337 20 0 BCADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224356012 398147098 /nfs/dbraw/zinc/14/70/98/398147098.db2.gz VNIVRVVQKYSUAU-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000257777264 349483471 /nfs/dbraw/zinc/48/34/71/349483471.db2.gz MRSSZVFEPONSFF-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889456 349495318 /nfs/dbraw/zinc/49/53/18/349495318.db2.gz SJCAHVFPEPQXLA-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@H+]1C ZINC000649333369 398149902 /nfs/dbraw/zinc/14/99/02/398149902.db2.gz PHKGJGFXJPZLFN-MJDLHHQISA-N 2 1 237.347 0.336 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)CCO ZINC000649869523 398155328 /nfs/dbraw/zinc/15/53/28/398155328.db2.gz GFIAXYAKPINJIO-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)CCO ZINC000649869523 398155330 /nfs/dbraw/zinc/15/53/30/398155330.db2.gz GFIAXYAKPINJIO-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000649341581 398158102 /nfs/dbraw/zinc/15/81/02/398158102.db2.gz JCRKRQYFNAMQNL-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000649359806 398171750 /nfs/dbraw/zinc/17/17/50/398171750.db2.gz CDGMOCPXBYQQRZ-LPEHRKFASA-N 2 1 213.325 0.323 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CCO)C1 ZINC000379992850 398179740 /nfs/dbraw/zinc/17/97/40/398179740.db2.gz YNYRYCCOLBHCBW-JTQLQIEISA-N 2 1 200.326 0.818 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000576224804 365529313 /nfs/dbraw/zinc/52/93/13/365529313.db2.gz CPOXWYFGCPXWPC-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP C[NH2+]CCC[N@H+](CC(N)=O)C1CCCC1 ZINC000230895635 488170687 /nfs/dbraw/zinc/17/06/87/488170687.db2.gz HDVXZQFOZCQFLF-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[NH2+]CCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000230895635 488170691 /nfs/dbraw/zinc/17/06/91/488170691.db2.gz HDVXZQFOZCQFLF-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP Cc1cc(N2CC([NH+](C)C)C2)nc(C)[nH+]1 ZINC000273192849 178113008 /nfs/dbraw/zinc/11/30/08/178113008.db2.gz CYBIKXTWPIRQEG-UHFFFAOYSA-N 2 1 206.293 0.844 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC000072826025 343982809 /nfs/dbraw/zinc/98/28/09/343982809.db2.gz NHGNDPDCHWDXGS-LLVKDONJSA-N 2 1 236.319 0.484 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576281152 365549617 /nfs/dbraw/zinc/54/96/17/365549617.db2.gz VTYPWSVMABGRHO-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP c1ncn(C[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000649412982 398210170 /nfs/dbraw/zinc/21/01/70/398210170.db2.gz GUDPJMPIUSRIKY-OLZOCXBDSA-N 2 1 249.362 0.742 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217125 398211244 /nfs/dbraw/zinc/21/12/44/398211244.db2.gz QLEYKSALFQTZSH-LLVKDONJSA-N 2 1 242.367 0.509 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413577 398212302 /nfs/dbraw/zinc/21/23/02/398212302.db2.gz MAOGBWYDPBBYDW-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213029 /nfs/dbraw/zinc/21/30/29/398213029.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 2 1 225.380 0.870 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC[NH3+])C[C@@H]1C ZINC000418367181 192028733 /nfs/dbraw/zinc/02/87/33/192028733.db2.gz ZDIQPMBKLLXWOG-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+](CC(=O)NCC[NH2+]C(C)(C)C)C1CCC1 ZINC000629963417 361810577 /nfs/dbraw/zinc/81/05/77/361810577.db2.gz NLHJYYKCTJLADT-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@@H+](CC(=O)NCCc1ncc[nH]1)C1CCC1 ZINC000629959662 361803067 /nfs/dbraw/zinc/80/30/67/361803067.db2.gz HWTUFKDCYHOZBG-UHFFFAOYSA-N 2 1 236.319 0.553 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000323018458 259309376 /nfs/dbraw/zinc/30/93/76/259309376.db2.gz IWHUPDQEDUYTPX-AXFHLTTASA-N 2 1 227.352 0.631 20 0 BCADMP C[N@H+](CC(=O)NCC[NH+]1CCC1)C1CCC1 ZINC000629975275 361823870 /nfs/dbraw/zinc/82/38/70/361823870.db2.gz XZTGDXGYZLYGIR-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@@H+](CC(=O)NCC[NH+]1CCC1)C1CCC1 ZINC000629975275 361823871 /nfs/dbraw/zinc/82/38/71/361823871.db2.gz XZTGDXGYZLYGIR-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000381300775 398252915 /nfs/dbraw/zinc/25/29/15/398252915.db2.gz DQHKVYWAUVRKAU-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000381300775 398252917 /nfs/dbraw/zinc/25/29/17/398252917.db2.gz DQHKVYWAUVRKAU-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000381300775 398252921 /nfs/dbraw/zinc/25/29/21/398252921.db2.gz DQHKVYWAUVRKAU-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000381300775 398252923 /nfs/dbraw/zinc/25/29/23/398252923.db2.gz DQHKVYWAUVRKAU-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP COC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000384029149 398258823 /nfs/dbraw/zinc/25/88/23/398258823.db2.gz SMCSLYXBKKFWBI-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000384029149 398258824 /nfs/dbraw/zinc/25/88/24/398258824.db2.gz SMCSLYXBKKFWBI-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP CCOCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600581 398264543 /nfs/dbraw/zinc/26/45/43/398264543.db2.gz OTXFOIHTNHADKG-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400399423 529378430 /nfs/dbraw/zinc/37/84/30/529378430.db2.gz PJURWBWCSVZRIM-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335131333 398281010 /nfs/dbraw/zinc/28/10/10/398281010.db2.gz UCZRAVLEEYQYDR-NWDGAFQWSA-N 2 1 237.347 0.150 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335131333 398281012 /nfs/dbraw/zinc/28/10/12/398281012.db2.gz UCZRAVLEEYQYDR-NWDGAFQWSA-N 2 1 237.347 0.150 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+](C)CC1 ZINC000418449618 192042855 /nfs/dbraw/zinc/04/28/55/192042855.db2.gz SCDKPINJMABZFH-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC000630000338 361885053 /nfs/dbraw/zinc/88/50/53/361885053.db2.gz ZVMOAINXJVJJEB-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC000630003736 361887387 /nfs/dbraw/zinc/88/73/87/361887387.db2.gz PRSKLBAZTUILOP-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000630019139 361901375 /nfs/dbraw/zinc/90/13/75/361901375.db2.gz SZENQRNAHXDOTH-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP Cc1cc(C[NH3+])cc(NC(=O)C[NH+](C)C)c1 ZINC000322953320 342837237 /nfs/dbraw/zinc/83/72/37/342837237.db2.gz UAXQLNRXWXLKPN-UHFFFAOYSA-N 2 1 221.304 0.954 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417817806 398294097 /nfs/dbraw/zinc/29/40/97/398294097.db2.gz ROOQWEVSLULDRQ-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000167204213 136244646 /nfs/dbraw/zinc/24/46/46/136244646.db2.gz CESMQEFMZZGIDN-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000167332724 136245783 /nfs/dbraw/zinc/24/57/83/136245783.db2.gz TUTPJNIVOOPGBE-UTUOFQBUSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000167332724 136245784 /nfs/dbraw/zinc/24/57/84/136245784.db2.gz TUTPJNIVOOPGBE-UTUOFQBUSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000167332724 136245785 /nfs/dbraw/zinc/24/57/85/136245785.db2.gz TUTPJNIVOOPGBE-UTUOFQBUSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCCO)[C@H](C)C1 ZINC000162314186 349639031 /nfs/dbraw/zinc/63/90/31/349639031.db2.gz OADRJXMSXKMKEU-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249138 /nfs/dbraw/zinc/24/91/38/136249138.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249139 /nfs/dbraw/zinc/24/91/39/136249139.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249140 /nfs/dbraw/zinc/24/91/40/136249140.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249141 /nfs/dbraw/zinc/24/91/41/136249141.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000011958333 346885751 /nfs/dbraw/zinc/88/57/51/346885751.db2.gz VVLZAEACHCQVHZ-JTQLQIEISA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887346 398335073 /nfs/dbraw/zinc/33/50/73/398335073.db2.gz ALNLAMYBECNGET-GFCCVEGCSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000580309949 346890332 /nfs/dbraw/zinc/89/03/32/346890332.db2.gz UWBXUJHZZUWHAV-RKDXNWHRSA-N 2 1 249.305 0.203 20 0 BCADMP Cn1ncnc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392758948 398335236 /nfs/dbraw/zinc/33/52/36/398335236.db2.gz ARBUINBSYPOMLQ-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP Cn1ncnc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392758948 398335237 /nfs/dbraw/zinc/33/52/37/398335237.db2.gz ARBUINBSYPOMLQ-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000519760439 488188381 /nfs/dbraw/zinc/18/83/81/488188381.db2.gz RBXGGMPXGLAIOS-UPJWGTAASA-N 2 1 244.379 0.440 20 0 BCADMP C[N@@H+](CCCNC(=O)C[NH3+])Cc1ccccc1 ZINC000019438128 342948704 /nfs/dbraw/zinc/94/87/04/342948704.db2.gz DWLMXPIXUPIUGV-UHFFFAOYSA-N 2 1 235.331 0.583 20 0 BCADMP C[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853151 136257869 /nfs/dbraw/zinc/25/78/69/136257869.db2.gz NXANGQBZLWOOLG-VWYCJHECSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853151 136257870 /nfs/dbraw/zinc/25/78/70/136257870.db2.gz NXANGQBZLWOOLG-VWYCJHECSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853148 136257486 /nfs/dbraw/zinc/25/74/86/136257486.db2.gz NXANGQBZLWOOLG-GMTAPVOTSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853148 136257487 /nfs/dbraw/zinc/25/74/87/136257487.db2.gz NXANGQBZLWOOLG-GMTAPVOTSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000351859158 136258590 /nfs/dbraw/zinc/25/85/90/136258590.db2.gz BOJRKXCDTFLFPJ-NHCYSSNCSA-N 2 1 237.347 0.419 20 0 BCADMP CC[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037914231 343002135 /nfs/dbraw/zinc/00/21/35/343002135.db2.gz PYVNCVDONZFRNC-GFCCVEGCSA-N 2 1 211.353 0.766 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CC1 ZINC000335905499 136260681 /nfs/dbraw/zinc/26/06/81/136260681.db2.gz MAGUJEHOHJRTPC-PSASIEDQSA-N 2 1 223.320 0.077 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1CO ZINC000309204390 259342375 /nfs/dbraw/zinc/34/23/75/259342375.db2.gz CCWBQBPEZASQNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1CO ZINC000309204390 259342376 /nfs/dbraw/zinc/34/23/76/259342376.db2.gz CCWBQBPEZASQNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000309204390 259342378 /nfs/dbraw/zinc/34/23/78/259342378.db2.gz CCWBQBPEZASQNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000309204390 259342380 /nfs/dbraw/zinc/34/23/80/259342380.db2.gz CCWBQBPEZASQNS-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP COC[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309398490 259343227 /nfs/dbraw/zinc/34/32/27/259343227.db2.gz ITFMQTRYNWVYCD-CMPLNLGQSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309398490 259343230 /nfs/dbraw/zinc/34/32/30/259343230.db2.gz ITFMQTRYNWVYCD-CMPLNLGQSA-N 2 1 230.352 0.314 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000628061420 343106507 /nfs/dbraw/zinc/10/65/07/343106507.db2.gz ILQOHQSLCYWPAC-SNVBAGLBSA-N 2 1 238.335 0.648 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712811 343125274 /nfs/dbraw/zinc/12/52/74/343125274.db2.gz JNEJUWQHHRHPLY-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP CC[C@H](O)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576936178 365725213 /nfs/dbraw/zinc/72/52/13/365725213.db2.gz DBOBDKKDWXQMTN-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000576967039 365737033 /nfs/dbraw/zinc/73/70/33/365737033.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000576967039 365737037 /nfs/dbraw/zinc/73/70/37/365737037.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000576967039 365737042 /nfs/dbraw/zinc/73/70/42/365737042.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000129081128 343176036 /nfs/dbraw/zinc/17/60/36/343176036.db2.gz XPYQBTPMGIMFMN-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1cnnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000150285822 343197076 /nfs/dbraw/zinc/19/70/76/343197076.db2.gz OARRUXRAGAFQQC-UHFFFAOYSA-N 2 1 223.324 0.376 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000157885878 343200427 /nfs/dbraw/zinc/20/04/27/343200427.db2.gz JVQOTCXKYGWXKD-GXSJLCMTSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[N@H+]1C ZINC000157877272 343200459 /nfs/dbraw/zinc/20/04/59/343200459.db2.gz MVLGVVHFTDQNDO-JQWIXIFHSA-N 2 1 239.363 0.727 20 0 BCADMP COC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000163536492 343206885 /nfs/dbraw/zinc/20/68/85/343206885.db2.gz AMIQBOVPCKCZJV-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000168558281 343210349 /nfs/dbraw/zinc/21/03/49/343210349.db2.gz ODKKJJWPPUYQQK-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)N(C)C ZINC000169288959 343210925 /nfs/dbraw/zinc/21/09/25/343210925.db2.gz DNDLLUCYAZZHNY-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)N(C)C ZINC000169288959 343210926 /nfs/dbraw/zinc/21/09/26/343210926.db2.gz DNDLLUCYAZZHNY-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP COCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000166313232 343212565 /nfs/dbraw/zinc/21/25/65/343212565.db2.gz GNHNWYZKFTZGBZ-UHFFFAOYSA-N 2 1 216.325 0.333 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400370506 529694567 /nfs/dbraw/zinc/69/45/67/529694567.db2.gz GRDBTTXUWAHQGC-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(C)c1 ZINC000133597885 343191009 /nfs/dbraw/zinc/19/10/09/343191009.db2.gz DEBRFYZNZNGYJG-KOLCDFICSA-N 2 1 208.309 0.732 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(C)c1 ZINC000133597885 343191013 /nfs/dbraw/zinc/19/10/13/343191013.db2.gz DEBRFYZNZNGYJG-KOLCDFICSA-N 2 1 208.309 0.732 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418697143 192061776 /nfs/dbraw/zinc/06/17/76/192061776.db2.gz LMHWYJPWBSPNDC-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037680 343227201 /nfs/dbraw/zinc/22/72/01/343227201.db2.gz VJPLVOXMAQXPOK-GRYCIOLGSA-N 3 1 209.337 0.137 20 0 BCADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037680 343227204 /nfs/dbraw/zinc/22/72/04/343227204.db2.gz VJPLVOXMAQXPOK-GRYCIOLGSA-N 3 1 209.337 0.137 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418697144 192061851 /nfs/dbraw/zinc/06/18/51/192061851.db2.gz LMHWYJPWBSPNDC-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000418697240 192061617 /nfs/dbraw/zinc/06/16/17/192061617.db2.gz LPYFCIBDCWRFRC-ZRUFSTJUSA-N 2 1 242.367 0.456 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418697237 192061637 /nfs/dbraw/zinc/06/16/37/192061637.db2.gz LPYFCIBDCWRFRC-LMLFDSFASA-N 2 1 242.367 0.456 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccnn1C ZINC000634688213 343246649 /nfs/dbraw/zinc/24/66/49/343246649.db2.gz LWWMCCZDRWLSMR-MDZLAQPJSA-N 2 1 236.363 0.939 20 0 BCADMP C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908623 343327544 /nfs/dbraw/zinc/32/75/44/343327544.db2.gz KDHJJDXICLPTGG-YTWAJWBKSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908619 343327701 /nfs/dbraw/zinc/32/77/01/343327701.db2.gz IOZAKVVUHSCGGL-GWOFURMSSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335648359 136304343 /nfs/dbraw/zinc/30/43/43/136304343.db2.gz GDNFYBRURYNSIX-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000335658643 136307499 /nfs/dbraw/zinc/30/74/99/136307499.db2.gz AAPKITKLKQOXCC-WDEREUQCSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000335658643 136307500 /nfs/dbraw/zinc/30/75/00/136307500.db2.gz AAPKITKLKQOXCC-WDEREUQCSA-N 2 1 237.347 0.291 20 0 BCADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000349014849 136312299 /nfs/dbraw/zinc/31/22/99/136312299.db2.gz XJMBKSQLWRUOQR-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000166231887 136315527 /nfs/dbraw/zinc/31/55/27/136315527.db2.gz RFZVRFIVKBBBQL-LPEHRKFASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000166231887 136315528 /nfs/dbraw/zinc/31/55/28/136315528.db2.gz RFZVRFIVKBBBQL-LPEHRKFASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000166233620 136316111 /nfs/dbraw/zinc/31/61/11/136316111.db2.gz HRSAEMWTIPFGPL-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000166233620 136316112 /nfs/dbraw/zinc/31/61/12/136316112.db2.gz HRSAEMWTIPFGPL-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876632 349806983 /nfs/dbraw/zinc/80/69/83/349806983.db2.gz HPUVGUGUJXHHRG-LLVKDONJSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321406 343424633 /nfs/dbraw/zinc/42/46/33/343424633.db2.gz YUDBWBLVUXTDFF-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP Cc1[nH+]ccn1CCCCn1cc(CC[NH3+])nn1 ZINC000641150702 362240453 /nfs/dbraw/zinc/24/04/53/362240453.db2.gz RQUUCMJERPOIPB-UHFFFAOYSA-N 2 1 248.334 0.765 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000166638827 136362211 /nfs/dbraw/zinc/36/22/11/136362211.db2.gz IMSATVQOGWFACK-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CN(C)C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247984925 136373362 /nfs/dbraw/zinc/37/33/62/136373362.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247984925 136373363 /nfs/dbraw/zinc/37/33/63/136373363.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247984925 136373364 /nfs/dbraw/zinc/37/33/64/136373364.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247984925 136373365 /nfs/dbraw/zinc/37/33/65/136373365.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247984925 136373366 /nfs/dbraw/zinc/37/33/66/136373366.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000310449370 343496496 /nfs/dbraw/zinc/49/64/96/343496496.db2.gz ZSTRXLCOOPAZMO-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCOCC1)C1CC1 ZINC000310395433 343470468 /nfs/dbraw/zinc/47/04/68/343470468.db2.gz LWWBLUXLLOXSJA-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCOCC1)C1CC1 ZINC000310395433 343470471 /nfs/dbraw/zinc/47/04/71/343470471.db2.gz LWWBLUXLLOXSJA-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000310490058 343515259 /nfs/dbraw/zinc/51/52/59/343515259.db2.gz FTJCQIUIIDYLIM-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000310490058 343515260 /nfs/dbraw/zinc/51/52/60/343515260.db2.gz FTJCQIUIIDYLIM-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000310490058 343515262 /nfs/dbraw/zinc/51/52/62/343515262.db2.gz FTJCQIUIIDYLIM-QWHCGFSZSA-N 2 1 243.395 0.325 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)CN)C1 ZINC000570171727 323051932 /nfs/dbraw/zinc/05/19/32/323051932.db2.gz JIKMAXHNMBTBQX-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000570171727 323051934 /nfs/dbraw/zinc/05/19/34/323051934.db2.gz JIKMAXHNMBTBQX-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000310902890 343596101 /nfs/dbraw/zinc/59/61/01/343596101.db2.gz FPHCBHWADWDBSL-LBPRGKRZSA-N 2 1 249.318 0.039 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)Cc1ccnc(N)c1 ZINC000052726299 343638188 /nfs/dbraw/zinc/63/81/88/343638188.db2.gz VEBBULGSJBYYRJ-UHFFFAOYSA-N 2 1 236.319 0.607 20 0 BCADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379901857 343652461 /nfs/dbraw/zinc/65/24/61/343652461.db2.gz FWXUQYBPIGSVIV-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379901857 343652462 /nfs/dbraw/zinc/65/24/62/343652462.db2.gz FWXUQYBPIGSVIV-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309027612 346955554 /nfs/dbraw/zinc/95/55/54/346955554.db2.gz YZPUSDUOOMQSFC-NSHDSACASA-N 2 1 211.309 0.893 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000309027612 346955558 /nfs/dbraw/zinc/95/55/58/346955558.db2.gz YZPUSDUOOMQSFC-NSHDSACASA-N 2 1 211.309 0.893 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487557916 529809879 /nfs/dbraw/zinc/80/98/79/529809879.db2.gz KVKGBRNZXAMJMQ-SFAKSCPVSA-N 2 1 247.342 0.751 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487557916 529809881 /nfs/dbraw/zinc/80/98/81/529809881.db2.gz KVKGBRNZXAMJMQ-SFAKSCPVSA-N 2 1 247.342 0.751 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418733002 192065003 /nfs/dbraw/zinc/06/50/03/192065003.db2.gz UZHFOIAZHWQZDB-ZJUUUORDSA-N 2 1 242.367 0.458 20 0 BCADMP c1cnn(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088430175 343724737 /nfs/dbraw/zinc/72/47/37/343724737.db2.gz DEJYBIOHEJPSQJ-PHIMTYICSA-N 2 1 206.293 0.034 20 0 BCADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000584182634 343770816 /nfs/dbraw/zinc/77/08/16/343770816.db2.gz HDXINIZEBLBCIF-QJPTWQEYSA-N 3 1 211.353 0.988 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187878477 259370377 /nfs/dbraw/zinc/37/03/77/259370377.db2.gz KCVJEVZXPYOACM-MNOVXSKESA-N 2 1 232.393 0.594 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611998 488247712 /nfs/dbraw/zinc/24/77/12/488247712.db2.gz IWIZNMQYVKAHBV-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CSC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000381059545 343919357 /nfs/dbraw/zinc/91/93/57/343919357.db2.gz KNFHUZWQBZSWQC-NSHDSACASA-N 2 1 244.404 0.927 20 0 BCADMP CSC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000381059545 343919360 /nfs/dbraw/zinc/91/93/60/343919360.db2.gz KNFHUZWQBZSWQC-NSHDSACASA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791987 344075124 /nfs/dbraw/zinc/07/51/24/344075124.db2.gz PQRFWZVOTKPHGA-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791987 344075127 /nfs/dbraw/zinc/07/51/27/344075127.db2.gz PQRFWZVOTKPHGA-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625791987 344075129 /nfs/dbraw/zinc/07/51/29/344075129.db2.gz PQRFWZVOTKPHGA-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625791987 344075130 /nfs/dbraw/zinc/07/51/30/344075130.db2.gz PQRFWZVOTKPHGA-NSHDSACASA-N 2 1 230.352 0.267 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000634733393 344113326 /nfs/dbraw/zinc/11/33/26/344113326.db2.gz DSSHDOGYXJDOBF-SGMGOOAPSA-N 3 1 237.391 0.964 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1(C)COC1)C1CC1 ZINC000625790220 344077634 /nfs/dbraw/zinc/07/76/34/344077634.db2.gz CFXAHDRUQHOZOO-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)CC1(C)COC1)C1CC1 ZINC000625790220 344077636 /nfs/dbraw/zinc/07/76/36/344077636.db2.gz CFXAHDRUQHOZOO-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1(C)COC1 ZINC000625790220 344077638 /nfs/dbraw/zinc/07/76/38/344077638.db2.gz CFXAHDRUQHOZOO-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1(C)COC1 ZINC000625790220 344077639 /nfs/dbraw/zinc/07/76/39/344077639.db2.gz CFXAHDRUQHOZOO-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP C([N@H+]1C[C@@H]2COC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634735981 344124448 /nfs/dbraw/zinc/12/44/48/344124448.db2.gz WIXZFNSCZCNQDV-WSVSKBAQSA-N 2 1 208.305 0.317 20 0 BCADMP CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363472638 344134473 /nfs/dbraw/zinc/13/44/73/344134473.db2.gz SFLUOIALRMJNLM-ZDUSSCGKSA-N 2 1 225.380 0.966 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000130409938 344137012 /nfs/dbraw/zinc/13/70/12/344137012.db2.gz RUWMINDQTYSSCP-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC ZINC000130453933 344139999 /nfs/dbraw/zinc/13/99/99/344139999.db2.gz OASMTCGHOTUGGY-NXEZZACHSA-N 2 1 215.341 0.570 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000518359291 344210417 /nfs/dbraw/zinc/21/04/17/344210417.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000518359291 344210419 /nfs/dbraw/zinc/21/04/19/344210419.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000518359291 344210421 /nfs/dbraw/zinc/21/04/21/344210421.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000336764028 537843376 /nfs/dbraw/zinc/84/33/76/537843376.db2.gz PTEGNXUIEZFVLS-SDDRHHMPSA-N 2 1 214.353 0.933 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000600743092 344367304 /nfs/dbraw/zinc/36/73/04/344367304.db2.gz ZIQMLZADZPUCSN-UHFFFAOYSA-N 2 1 232.324 0.235 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCCC(=O)OC ZINC000600708162 344360636 /nfs/dbraw/zinc/36/06/36/344360636.db2.gz CXBASYJTWRSWIU-UHFFFAOYSA-N 2 1 216.325 0.871 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000600710275 344360892 /nfs/dbraw/zinc/36/08/92/344360892.db2.gz MZXVXJLUHIAZHD-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000600710275 344360893 /nfs/dbraw/zinc/36/08/93/344360893.db2.gz MZXVXJLUHIAZHD-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000600712353 344361560 /nfs/dbraw/zinc/36/15/60/344361560.db2.gz XFQAKVJPZHCPOU-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000600712183 344361742 /nfs/dbraw/zinc/36/17/42/344361742.db2.gz XKRJXUNSQJLJPX-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236786110 344403023 /nfs/dbraw/zinc/40/30/23/344403023.db2.gz CUHPAMXAUSNYCF-NSHDSACASA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382950361 344471244 /nfs/dbraw/zinc/47/12/44/344471244.db2.gz LMHRIEBOGOWFKQ-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000381073517 344476033 /nfs/dbraw/zinc/47/60/33/344476033.db2.gz PAYAUSQXPDNPRO-NWDGAFQWSA-N 2 1 230.352 0.194 20 0 BCADMP Cc1ccncc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381173663 344482496 /nfs/dbraw/zinc/48/24/96/344482496.db2.gz MSNLBGQMSBDUCO-CQSZACIVSA-N 2 1 249.358 0.935 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812687 344591687 /nfs/dbraw/zinc/59/16/87/344591687.db2.gz FPSIHERDYDAHMA-RYUDHWBXSA-N 2 1 237.347 0.435 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812687 344591688 /nfs/dbraw/zinc/59/16/88/344591688.db2.gz FPSIHERDYDAHMA-RYUDHWBXSA-N 2 1 237.347 0.435 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966912 344578636 /nfs/dbraw/zinc/57/86/36/344578636.db2.gz AHBBVKDOHBXBGF-XQQFMLRXSA-N 2 1 241.379 0.376 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423671 362407764 /nfs/dbraw/zinc/40/77/64/362407764.db2.gz DNRIWVRFLPEXGX-MNOVXSKESA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309418284 347058326 /nfs/dbraw/zinc/05/83/26/347058326.db2.gz LBOIPDWLUIHEOR-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309418284 347058330 /nfs/dbraw/zinc/05/83/30/347058330.db2.gz LBOIPDWLUIHEOR-CMPLNLGQSA-N 2 1 230.352 0.192 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309911856 259378458 /nfs/dbraw/zinc/37/84/58/259378458.db2.gz NCZVTBHKVWWMRU-CMPLNLGQSA-N 2 1 228.336 0.068 20 0 BCADMP FCC[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000626004151 344666361 /nfs/dbraw/zinc/66/63/61/344666361.db2.gz ADRCXEBTLIRQHR-LLVKDONJSA-N 2 1 227.283 0.944 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000577867799 344639374 /nfs/dbraw/zinc/63/93/74/344639374.db2.gz ADMLFSCBNCVFTH-MXWKQRLJSA-N 2 1 240.351 0.130 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000583435835 344953478 /nfs/dbraw/zinc/95/34/78/344953478.db2.gz GNQBEWTWUPYDBO-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000583435835 344953480 /nfs/dbraw/zinc/95/34/80/344953480.db2.gz GNQBEWTWUPYDBO-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000154302840 345026155 /nfs/dbraw/zinc/02/61/55/345026155.db2.gz XXNMEYNELWPRSA-NDBYEHHHSA-N 2 1 243.395 0.227 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000155657198 345095372 /nfs/dbraw/zinc/09/53/72/345095372.db2.gz OQQQKSNVYKXHSN-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000310450666 259382563 /nfs/dbraw/zinc/38/25/63/259382563.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000310450666 259382564 /nfs/dbraw/zinc/38/25/64/259382564.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000310450666 259382565 /nfs/dbraw/zinc/38/25/65/259382565.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP C([N@@H+]1CC[C@H]2COC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996801 345181901 /nfs/dbraw/zinc/18/19/01/345181901.db2.gz VQONNBKAPIHGEZ-ZFQMDJOTSA-N 2 1 222.332 0.707 20 0 BCADMP C([N@H+]1CC[C@H]2COC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996801 345181903 /nfs/dbraw/zinc/18/19/03/345181903.db2.gz VQONNBKAPIHGEZ-ZFQMDJOTSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000634995906 345186144 /nfs/dbraw/zinc/18/61/44/345186144.db2.gz SHRRXDZOJLOBGI-UTUOFQBUSA-N 3 1 213.369 0.805 20 0 BCADMP C[C@@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCCO1 ZINC000634996069 345186495 /nfs/dbraw/zinc/18/64/95/345186495.db2.gz YOHKDEALVLJZKU-CXQJBGSLSA-N 2 1 210.321 0.897 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000635078139 345242210 /nfs/dbraw/zinc/24/22/10/345242210.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000635078139 345242212 /nfs/dbraw/zinc/24/22/12/345242212.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000635078139 345242214 /nfs/dbraw/zinc/24/22/14/345242214.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993833 345192069 /nfs/dbraw/zinc/19/20/69/345192069.db2.gz HQLTXGWMTMHSAP-SDDRHHMPSA-N 3 1 211.353 0.369 20 0 BCADMP CC(C)[C@@H](C[NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993833 345192071 /nfs/dbraw/zinc/19/20/71/345192071.db2.gz HQLTXGWMTMHSAP-SDDRHHMPSA-N 2 1 211.353 0.369 20 0 BCADMP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994103 345192821 /nfs/dbraw/zinc/19/28/21/345192821.db2.gz QLDYXIITNRMYNA-VOBJUBJWSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994103 345192824 /nfs/dbraw/zinc/19/28/24/345192824.db2.gz QLDYXIITNRMYNA-VOBJUBJWSA-N 2 1 210.321 0.441 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000634996973 345193565 /nfs/dbraw/zinc/19/35/65/345193565.db2.gz AHINEHMBRBZNMM-GFCCVEGCSA-N 3 1 231.384 0.385 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CCOCC[NH3+] ZINC000634997333 345195754 /nfs/dbraw/zinc/19/57/54/345195754.db2.gz JGNZUENQMDUWSY-NSHDSACASA-N 3 1 217.357 0.124 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000634998788 345199581 /nfs/dbraw/zinc/19/95/81/345199581.db2.gz LCBVMCIILISRRL-IJLUTSLNSA-N 2 1 212.337 0.940 20 0 BCADMP Cc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000634999494 345200639 /nfs/dbraw/zinc/20/06/39/345200639.db2.gz VJUWEGJLEIYUHB-GXSJLCMTSA-N 2 1 222.336 0.755 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635403026 345349187 /nfs/dbraw/zinc/34/91/87/345349187.db2.gz YSKJTJBSNKTCCG-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000635420754 345360695 /nfs/dbraw/zinc/36/06/95/345360695.db2.gz HUSJSVJLVZPVPH-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COCCOCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133304580 345369063 /nfs/dbraw/zinc/36/90/63/345369063.db2.gz GXLMESRXZJRBBR-LBPRGKRZSA-N 2 1 232.368 0.955 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248447981 345389615 /nfs/dbraw/zinc/38/96/15/345389615.db2.gz DLJZROFGXAQEDX-GMTAPVOTSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635442076 345371531 /nfs/dbraw/zinc/37/15/31/345371531.db2.gz MGNQAMUHMVOTNS-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635457457 345380372 /nfs/dbraw/zinc/38/03/72/345380372.db2.gz ZMTYZKWSCGWHCQ-SECBINFHSA-N 2 1 224.308 0.258 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C/C=C/C[NH+](C)C[C@H](C)O ZINC000135601879 345445992 /nfs/dbraw/zinc/44/59/92/345445992.db2.gz WOQQEXFDSULKBT-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C/C[N@H+](C)C[C@H](C)O ZINC000135601879 345445994 /nfs/dbraw/zinc/44/59/94/345445994.db2.gz WOQQEXFDSULKBT-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C/C[N@@H+](C)C[C@H](C)O ZINC000135601879 345445996 /nfs/dbraw/zinc/44/59/96/345445996.db2.gz WOQQEXFDSULKBT-MTJJXUSZSA-N 2 1 230.352 0.168 20 0 BCADMP CC[C@H](C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000088577662 345542802 /nfs/dbraw/zinc/54/28/02/345542802.db2.gz XYKLOGSHCSZUOX-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000143361827 345706775 /nfs/dbraw/zinc/70/67/75/345706775.db2.gz SYDAGYXULCNACF-LBPRGKRZSA-N 2 1 234.347 0.719 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000635557993 345717136 /nfs/dbraw/zinc/71/71/36/345717136.db2.gz GJNGCNUQELVCRX-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP OCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000212455636 345734941 /nfs/dbraw/zinc/73/49/41/345734941.db2.gz VJGGDCNJLWURQA-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300356495 345850694 /nfs/dbraw/zinc/85/06/94/345850694.db2.gz MIVYOKMNSPYMCG-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300356495 345850698 /nfs/dbraw/zinc/85/06/98/345850698.db2.gz MIVYOKMNSPYMCG-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635602284 345887787 /nfs/dbraw/zinc/88/77/87/345887787.db2.gz GYZDJBLWVRFVIG-TUAOUCFPSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635605979 345889851 /nfs/dbraw/zinc/88/98/51/345889851.db2.gz GHEKWEWLIBUUKE-HBNTYKKESA-N 2 1 227.352 0.535 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635768874 346058939 /nfs/dbraw/zinc/05/89/39/346058939.db2.gz YXFFCKGDQPJDLZ-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP C[N@H+](CC(=O)NCC[NH+]1CCC1)CC(C)(C)C ZINC000635724649 346034744 /nfs/dbraw/zinc/03/47/44/346034744.db2.gz LVIWSHWXKXDEHO-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@@H+](CC(=O)NCC[NH+]1CCC1)CC(C)(C)C ZINC000635724649 346034746 /nfs/dbraw/zinc/03/47/46/346034746.db2.gz LVIWSHWXKXDEHO-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635822727 346078006 /nfs/dbraw/zinc/07/80/06/346078006.db2.gz WGHAZNBJHXXPBC-UHFFFAOYSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635885126 346102145 /nfs/dbraw/zinc/10/21/45/346102145.db2.gz URHJKNGZAUWTNR-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCn3cncc3C2)C1 ZINC000635945246 346118945 /nfs/dbraw/zinc/11/89/45/346118945.db2.gz OZNJRIZKSMSKEN-NSHDSACASA-N 2 1 248.330 0.567 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000636029767 346164206 /nfs/dbraw/zinc/16/42/06/346164206.db2.gz NGTXLLBKZUMLQT-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000636029767 346164209 /nfs/dbraw/zinc/16/42/09/346164209.db2.gz NGTXLLBKZUMLQT-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000636029767 346164211 /nfs/dbraw/zinc/16/42/11/346164211.db2.gz NGTXLLBKZUMLQT-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000636029767 346164212 /nfs/dbraw/zinc/16/42/12/346164212.db2.gz NGTXLLBKZUMLQT-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429410435 192098087 /nfs/dbraw/zinc/09/80/87/192098087.db2.gz QTSGBTRSFPMBDD-PHIMTYICSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628239539 346200677 /nfs/dbraw/zinc/20/06/77/346200677.db2.gz VHYNTQDTUPHJAH-NWDGAFQWSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628239539 346200681 /nfs/dbraw/zinc/20/06/81/346200681.db2.gz VHYNTQDTUPHJAH-NWDGAFQWSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@@H+](CCCNC(=O)C[NH3+])C1CCCCC1 ZINC000037901327 346254834 /nfs/dbraw/zinc/25/48/34/346254834.db2.gz UICKROGWABMNRO-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000636053598 346300690 /nfs/dbraw/zinc/30/06/90/346300690.db2.gz LMKDRCJSLCBGHJ-MNOVXSKESA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@H](C[NH2+]Cc1ccncc1N)C[NH+](C)C ZINC000641756889 362682620 /nfs/dbraw/zinc/68/26/20/362682620.db2.gz QBGLKPXTHSXOPC-JTQLQIEISA-N 2 1 222.336 0.951 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626461 349951127 /nfs/dbraw/zinc/95/11/27/349951127.db2.gz GBQMSYBCBQNBQI-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000636170553 346343319 /nfs/dbraw/zinc/34/33/19/346343319.db2.gz BLGRKXBWXLOGRZ-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000636170552 346343391 /nfs/dbraw/zinc/34/33/91/346343391.db2.gz BLGRKXBWXLOGRZ-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000157432414 346382823 /nfs/dbraw/zinc/38/28/23/346382823.db2.gz OMHPFRBJLVWDAJ-IJLUTSLNSA-N 2 1 209.337 0.565 20 0 BCADMP C[C@H]1CN(CCc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000641797198 362742986 /nfs/dbraw/zinc/74/29/86/362742986.db2.gz XROFCAHYWRXPEA-QWRGUYRKSA-N 2 1 222.336 0.645 20 0 BCADMP CC[NH+](CCC(=O)OC)C[C@@H](O)C[N@@H+](C)CC ZINC000380031472 365816178 /nfs/dbraw/zinc/81/61/78/365816178.db2.gz PBYVJBURBRIUCO-NSHDSACASA-N 2 1 246.351 0.184 20 0 BCADMP CC[NH+](CCC(=O)OC)C[C@@H](O)C[N@H+](C)CC ZINC000380031472 365816182 /nfs/dbraw/zinc/81/61/82/365816182.db2.gz PBYVJBURBRIUCO-NSHDSACASA-N 2 1 246.351 0.184 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCC(=O)OC ZINC000380031472 365816190 /nfs/dbraw/zinc/81/61/90/365816190.db2.gz PBYVJBURBRIUCO-NSHDSACASA-N 2 1 246.351 0.184 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCC(=O)OC ZINC000380031472 365816196 /nfs/dbraw/zinc/81/61/96/365816196.db2.gz PBYVJBURBRIUCO-NSHDSACASA-N 2 1 246.351 0.184 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cncn1C ZINC000641799324 362749049 /nfs/dbraw/zinc/74/90/49/362749049.db2.gz UJUQCSCQIKLWJC-GFCCVEGCSA-N 3 1 224.352 0.926 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CCc1c[nH+]cn1C ZINC000641799353 362749085 /nfs/dbraw/zinc/74/90/85/362749085.db2.gz LIQBMTIMWFTTBE-ONGXEEELSA-N 2 1 208.309 0.384 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1cn[nH]c1 ZINC000641799712 362749161 /nfs/dbraw/zinc/74/91/61/362749161.db2.gz PRDJFXIFXOSYBS-JTQLQIEISA-N 2 1 210.325 0.915 20 0 BCADMP C[C@H]1[NH2+]CCN(CCc2c[nH+]cn2C)[C@@H]1C ZINC000641800174 362750126 /nfs/dbraw/zinc/75/01/26/362750126.db2.gz XXDXOQNQALSUCT-GHMZBOCLSA-N 2 1 222.336 0.645 20 0 BCADMP CN(CCc1c[nH+]cn1C)C1(C[NH3+])CCC1 ZINC000641800184 362750364 /nfs/dbraw/zinc/75/03/64/362750364.db2.gz YGBZNKYVLKMJJK-UHFFFAOYSA-N 2 1 222.336 0.776 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccnc1N ZINC000641801010 362752990 /nfs/dbraw/zinc/75/29/90/362752990.db2.gz LDGRFPJEWVZTTC-NXEZZACHSA-N 2 1 220.320 0.879 20 0 BCADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000641801241 362754706 /nfs/dbraw/zinc/75/47/06/362754706.db2.gz OJFFAEMXXHNNBB-GMTAPVOTSA-N 2 1 211.353 0.701 20 0 BCADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801269 362755595 /nfs/dbraw/zinc/75/55/95/362755595.db2.gz OQLYZWQSONODBG-GUBZILKMSA-N 2 1 225.336 0.323 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000641801564 362756709 /nfs/dbraw/zinc/75/67/09/362756709.db2.gz SOZUCFRYYYUBKP-UWVGGRQHSA-N 2 1 248.330 0.736 20 0 BCADMP C[C@@H]1CC[C@@H](CN)[N@H+](CCOCC[NH3+])[C@H]1C ZINC000641805708 362760351 /nfs/dbraw/zinc/76/03/51/362760351.db2.gz GMLDLTWXYNVPCA-WOPDTQHZSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000641805708 362760355 /nfs/dbraw/zinc/76/03/55/362760355.db2.gz GMLDLTWXYNVPCA-WOPDTQHZSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOCC[NH3+])[C@H]1C ZINC000641805708 362760358 /nfs/dbraw/zinc/76/03/58/362760358.db2.gz GMLDLTWXYNVPCA-WOPDTQHZSA-N 3 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000641805708 362760361 /nfs/dbraw/zinc/76/03/61/362760361.db2.gz GMLDLTWXYNVPCA-WOPDTQHZSA-N 3 1 229.368 0.409 20 0 BCADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641804642 362760619 /nfs/dbraw/zinc/76/06/19/362760619.db2.gz ZMWVPRRAPHVGNQ-HBNTYKKESA-N 2 1 239.363 0.711 20 0 BCADMP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH2+]C1 ZINC000580714758 346647822 /nfs/dbraw/zinc/64/78/22/346647822.db2.gz BIPKSECVMXCKMP-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH2+]C1 ZINC000580714758 346647823 /nfs/dbraw/zinc/64/78/23/346647823.db2.gz BIPKSECVMXCKMP-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000580216451 346700093 /nfs/dbraw/zinc/70/00/93/346700093.db2.gz YJRCTKAHAAUQBY-JQWIXIFHSA-N 2 1 248.330 0.162 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378663383 346798508 /nfs/dbraw/zinc/79/85/08/346798508.db2.gz BCSRYHUPMREOIV-QCNOEVLYSA-N 2 1 212.337 0.687 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000582063197 347157529 /nfs/dbraw/zinc/15/75/29/347157529.db2.gz UKUGXWZATKLUIH-WCQYABFASA-N 2 1 242.363 0.050 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000582063197 347157531 /nfs/dbraw/zinc/15/75/31/347157531.db2.gz UKUGXWZATKLUIH-WCQYABFASA-N 2 1 242.363 0.050 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000641821555 362771304 /nfs/dbraw/zinc/77/13/04/362771304.db2.gz LNSZWVFHZPGZRY-NEPJUHHUSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000641821555 362771306 /nfs/dbraw/zinc/77/13/06/362771306.db2.gz LNSZWVFHZPGZRY-NEPJUHHUSA-N 2 1 220.320 0.765 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC/C=C/C[NH3+] ZINC000641863056 362791731 /nfs/dbraw/zinc/79/17/31/362791731.db2.gz XBMLFYKQYPWZIW-SGUJLRQBSA-N 2 1 240.351 0.237 20 0 BCADMP C[N@@H+](CCCNC(=O)CC[NH3+])Cc1ccccc1 ZINC000019439602 347324991 /nfs/dbraw/zinc/32/49/91/347324991.db2.gz UQRNJPHEBXEYQM-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280817 347328082 /nfs/dbraw/zinc/32/80/82/347328082.db2.gz DCNSTDOTIQHMRO-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000019483200 347329796 /nfs/dbraw/zinc/32/97/96/347329796.db2.gz FKVGMHMWZNLATK-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP [NH3+]CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C(F)F ZINC000571412918 323144322 /nfs/dbraw/zinc/14/43/22/323144322.db2.gz MCESSVPHBWEMBJ-RXMQYKEDSA-N 2 1 245.220 0.069 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000571439261 323144878 /nfs/dbraw/zinc/14/48/78/323144878.db2.gz MQZVGGDCZPKCHY-VIFPVBQESA-N 2 1 249.305 0.522 20 0 BCADMP CN(Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000616925414 347457490 /nfs/dbraw/zinc/45/74/90/347457490.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 1 222.292 0.320 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000616925414 347457492 /nfs/dbraw/zinc/45/74/92/347457492.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 1 222.292 0.320 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000616925414 347457496 /nfs/dbraw/zinc/45/74/96/347457496.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 1 222.292 0.320 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382950360 347506957 /nfs/dbraw/zinc/50/69/57/347506957.db2.gz LMHRIEBOGOWFKQ-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000591101271 347619691 /nfs/dbraw/zinc/61/96/91/347619691.db2.gz GONGXQIJUKIDAB-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380121047 365901664 /nfs/dbraw/zinc/90/16/64/365901664.db2.gz UTMUIQCGQQHXQK-GRYCIOLGSA-N 2 1 212.337 0.810 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591667563 347683892 /nfs/dbraw/zinc/68/38/92/347683892.db2.gz GDKJHSPFLHPGIH-SNVBAGLBSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401741640 347711372 /nfs/dbraw/zinc/71/13/72/347711372.db2.gz RZWASKWMNGUPOL-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401741640 347711375 /nfs/dbraw/zinc/71/13/75/347711375.db2.gz RZWASKWMNGUPOL-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401756214 347759943 /nfs/dbraw/zinc/75/99/43/347759943.db2.gz RGNZMCQOHKKTQS-ZJUUUORDSA-N 2 1 228.336 0.773 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000592831343 347827454 /nfs/dbraw/zinc/82/74/54/347827454.db2.gz BUBTVJJKTOSPHV-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000592493350 347787378 /nfs/dbraw/zinc/78/73/78/347787378.db2.gz OZUBRMZEAPTCOX-NXEZZACHSA-N 2 1 214.309 0.337 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492331 347787700 /nfs/dbraw/zinc/78/77/00/347787700.db2.gz YSZJWHOUHNUXJQ-NEPJUHHUSA-N 2 1 240.347 0.871 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CNC(C)(C)C[NH+](C)C ZINC000308631010 347930835 /nfs/dbraw/zinc/93/08/35/347930835.db2.gz JKRJUKGJDGIVIN-NSHDSACASA-N 2 1 231.384 0.229 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000228509146 349977919 /nfs/dbraw/zinc/97/79/19/349977919.db2.gz OQQQKSNVYKXHSN-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368385324 187384462 /nfs/dbraw/zinc/38/44/62/187384462.db2.gz NLFQMQIEQXJAKH-NSHDSACASA-N 2 1 239.363 0.585 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594739272 348110571 /nfs/dbraw/zinc/11/05/71/348110571.db2.gz RTSVUFXSEBIEIC-NXEZZACHSA-N 2 1 223.320 0.030 20 0 BCADMP CO[C@@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308966714 323182685 /nfs/dbraw/zinc/18/26/85/323182685.db2.gz WHQDWUPACRYJAR-UWVGGRQHSA-N 2 1 211.309 0.976 20 0 BCADMP CC(C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334995977 187393183 /nfs/dbraw/zinc/39/31/83/187393183.db2.gz IXLMGHXSIQMOIP-PHIMTYICSA-N 2 1 212.337 0.689 20 0 BCADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)COC[C@H]1CCCO1 ZINC000043324927 187394442 /nfs/dbraw/zinc/39/44/42/187394442.db2.gz GGFQOSLEEPRSOI-CHWSQXEVSA-N 2 1 242.363 0.914 20 0 BCADMP CSCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863289 348383662 /nfs/dbraw/zinc/38/36/62/348383662.db2.gz MRDKNYZUHDVFES-GFCCVEGCSA-N 2 1 244.404 0.880 20 0 BCADMP CSCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863289 348383665 /nfs/dbraw/zinc/38/36/65/348383665.db2.gz MRDKNYZUHDVFES-GFCCVEGCSA-N 2 1 244.404 0.880 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595907714 348397634 /nfs/dbraw/zinc/39/76/34/348397634.db2.gz DXHFMODBNYNTIC-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@H](O)CNc1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000420149711 192163898 /nfs/dbraw/zinc/16/38/98/192163898.db2.gz IKCCOMWTKIVVLE-DTWKUNHWSA-N 2 1 237.307 0.043 20 0 BCADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812265 490191037 /nfs/dbraw/zinc/19/10/37/490191037.db2.gz CNLNLCKPYDOTJH-YYJSSNLHSA-N 2 1 212.337 0.959 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221703819 259404595 /nfs/dbraw/zinc/40/45/95/259404595.db2.gz LKBZZMOWLUCHEL-DCAQKATOSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221703819 259404597 /nfs/dbraw/zinc/40/45/97/259404597.db2.gz LKBZZMOWLUCHEL-DCAQKATOSA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(CCO)CC1 ZINC000308822484 348760430 /nfs/dbraw/zinc/76/04/30/348760430.db2.gz GWZYOYQIEMSIPQ-UHFFFAOYSA-N 2 1 200.326 0.818 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000308823394 348761393 /nfs/dbraw/zinc/76/13/93/348761393.db2.gz KHMSYDLNANZSPY-SNVBAGLBSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000308823394 348761395 /nfs/dbraw/zinc/76/13/95/348761395.db2.gz KHMSYDLNANZSPY-SNVBAGLBSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)O ZINC000308823394 348761396 /nfs/dbraw/zinc/76/13/96/348761396.db2.gz KHMSYDLNANZSPY-SNVBAGLBSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)O ZINC000308823394 348761399 /nfs/dbraw/zinc/76/13/99/348761399.db2.gz KHMSYDLNANZSPY-SNVBAGLBSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623506321 362931427 /nfs/dbraw/zinc/93/14/27/362931427.db2.gz NLHUYHXBVYFOCW-WDEREUQCSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623506321 362931433 /nfs/dbraw/zinc/93/14/33/362931433.db2.gz NLHUYHXBVYFOCW-WDEREUQCSA-N 2 1 241.379 0.926 20 0 BCADMP CCC[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000308865467 348979941 /nfs/dbraw/zinc/97/99/41/348979941.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 1 218.341 0.267 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133675 349082933 /nfs/dbraw/zinc/08/29/33/349082933.db2.gz JFKRGQUKNXQGEN-NSHDSACASA-N 2 1 229.368 0.960 20 0 BCADMP CC[N@@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1CC1 ZINC000151226631 538024969 /nfs/dbraw/zinc/02/49/69/538024969.db2.gz AMMHZKBSNMKETD-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623511422 362938429 /nfs/dbraw/zinc/93/84/29/362938429.db2.gz OBPRYJQJACQKHI-MNOVXSKESA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623511422 362938432 /nfs/dbraw/zinc/93/84/32/362938432.db2.gz OBPRYJQJACQKHI-MNOVXSKESA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000248483949 349133325 /nfs/dbraw/zinc/13/33/25/349133325.db2.gz JUDJUOCBIVYZMH-GARJFASQSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000250649848 349178132 /nfs/dbraw/zinc/17/81/32/349178132.db2.gz WJNBSZLJNHEZPT-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000251045871 349181928 /nfs/dbraw/zinc/18/19/28/349181928.db2.gz QEOCJNQTROQCRF-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000251045871 349181931 /nfs/dbraw/zinc/18/19/31/349181931.db2.gz QEOCJNQTROQCRF-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP CCN(CC[NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000626960367 362943376 /nfs/dbraw/zinc/94/33/76/362943376.db2.gz QODMTGRORWHXBX-UHFFFAOYSA-N 2 1 239.323 0.182 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252205351 349198798 /nfs/dbraw/zinc/19/87/98/349198798.db2.gz XBRAAYKMEQSXBP-JHJVBQTASA-N 2 1 244.379 0.845 20 0 BCADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000390431800 538036490 /nfs/dbraw/zinc/03/64/90/538036490.db2.gz PVZJELMVOLOODJ-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070582617 350025543 /nfs/dbraw/zinc/02/55/43/350025543.db2.gz XQBVUIIWEPEIPV-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP Cc1[nH+]c(CNC(=O)C2C[NH2+]C2)c2n1CCCC2 ZINC000371710663 179963513 /nfs/dbraw/zinc/96/35/13/179963513.db2.gz NIZPVCHMLCCNEW-UHFFFAOYSA-N 2 1 248.330 0.363 20 0 BCADMP C[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000071201037 350091598 /nfs/dbraw/zinc/09/15/98/350091598.db2.gz ZUFMTYMJDUGYAX-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP COCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131974939 191020087 /nfs/dbraw/zinc/02/00/87/191020087.db2.gz PYCISRSOMRCECU-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219245872 350118355 /nfs/dbraw/zinc/11/83/55/350118355.db2.gz IJQNMRRYHWNWDA-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133789705 191043151 /nfs/dbraw/zinc/04/31/51/191043151.db2.gz BHGXIKBYMBENEH-RYUDHWBXSA-N 2 1 241.379 0.973 20 0 BCADMP COCC[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313922572 350165926 /nfs/dbraw/zinc/16/59/26/350165926.db2.gz WQQNDHCPPSCAMM-UHFFFAOYSA-N 2 1 241.335 0.293 20 0 BCADMP COCC[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313922572 350165928 /nfs/dbraw/zinc/16/59/28/350165928.db2.gz WQQNDHCPPSCAMM-UHFFFAOYSA-N 2 1 241.335 0.293 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219942063 350151160 /nfs/dbraw/zinc/15/11/60/350151160.db2.gz IZCNMSMMYWSSIX-ZJUUUORDSA-N 2 1 239.363 0.441 20 0 BCADMP O=C(NCC[NH+]1CCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426980388 191050749 /nfs/dbraw/zinc/05/07/49/191050749.db2.gz KMRLAVXEMIZCCE-GFCCVEGCSA-N 2 1 237.347 0.435 20 0 BCADMP O=C(NCC[NH+]1CCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426980388 191050752 /nfs/dbraw/zinc/05/07/52/191050752.db2.gz KMRLAVXEMIZCCE-GFCCVEGCSA-N 2 1 237.347 0.435 20 0 BCADMP CC(C)[C@@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000427167045 191054974 /nfs/dbraw/zinc/05/49/74/191054974.db2.gz KVSPJSHUWSOYRW-QMMMGPOBSA-N 2 1 237.294 0.283 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000427305233 191057972 /nfs/dbraw/zinc/05/79/72/191057972.db2.gz RMYLVOTYJFWMSJ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314039977 350168309 /nfs/dbraw/zinc/16/83/09/350168309.db2.gz VPTNDTVYZNQGDJ-MNOVXSKESA-N 2 1 225.336 0.959 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000309235217 350216259 /nfs/dbraw/zinc/21/62/59/350216259.db2.gz JJLJBGKEWDZTNJ-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000309235217 350216261 /nfs/dbraw/zinc/21/62/61/350216261.db2.gz JJLJBGKEWDZTNJ-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H](C)[N@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000309225861 350212595 /nfs/dbraw/zinc/21/25/95/350212595.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)CC ZINC000309225861 350212597 /nfs/dbraw/zinc/21/25/97/350212597.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)CC ZINC000309225861 350212600 /nfs/dbraw/zinc/21/26/00/350212600.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000309225861 350212602 /nfs/dbraw/zinc/21/26/02/350212602.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 2 1 232.368 0.392 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCO ZINC000305669851 180233975 /nfs/dbraw/zinc/23/39/75/180233975.db2.gz JJICSTPFEJJBSX-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCO ZINC000305669851 180233977 /nfs/dbraw/zinc/23/39/77/180233977.db2.gz JJICSTPFEJJBSX-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)C ZINC000124728388 180234640 /nfs/dbraw/zinc/23/46/40/180234640.db2.gz CRJXVXZMASNXAP-UHFFFAOYSA-N 2 1 238.335 0.602 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)C ZINC000124728388 180234642 /nfs/dbraw/zinc/23/46/42/180234642.db2.gz CRJXVXZMASNXAP-UHFFFAOYSA-N 2 1 238.335 0.602 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C)[NH3+] ZINC000157866929 180234764 /nfs/dbraw/zinc/23/47/64/180234764.db2.gz SUKCCRGVARASHO-SECBINFHSA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)O ZINC000270619213 180236205 /nfs/dbraw/zinc/23/62/05/180236205.db2.gz JSIFHHPFQMVQSM-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)O ZINC000270619213 180236206 /nfs/dbraw/zinc/23/62/06/180236206.db2.gz JSIFHHPFQMVQSM-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(N)=O ZINC000286590872 180237484 /nfs/dbraw/zinc/23/74/84/180237484.db2.gz VWPZUPVWMGIOFE-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(N)=O ZINC000286590872 180237486 /nfs/dbraw/zinc/23/74/86/180237486.db2.gz VWPZUPVWMGIOFE-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP C[NH+]1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000405426268 323315328 /nfs/dbraw/zinc/31/53/28/323315328.db2.gz VQHMNUUAMITZBM-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C[C@@H](C)[NH3+] ZINC000340183675 180244045 /nfs/dbraw/zinc/24/40/45/180244045.db2.gz IIPGLXLZNWLQNL-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000282401719 180262198 /nfs/dbraw/zinc/26/21/98/180262198.db2.gz PRVNEAGHKDIKRD-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1[nH+]cn(C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289778969 180287866 /nfs/dbraw/zinc/28/78/66/180287866.db2.gz KWQOTYMSRHYXIJ-LBPRGKRZSA-N 2 1 223.320 0.955 20 0 BCADMP Cc1[nH+]cn(C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000289778969 180287868 /nfs/dbraw/zinc/28/78/68/180287868.db2.gz KWQOTYMSRHYXIJ-LBPRGKRZSA-N 2 1 223.320 0.955 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328406409 350399922 /nfs/dbraw/zinc/39/99/22/350399922.db2.gz TUUZGRWQOKKHET-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP CCOC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000309263803 323337352 /nfs/dbraw/zinc/33/73/52/323337352.db2.gz CKBYYIDLYKQLPJ-NSHDSACASA-N 2 1 227.308 0.179 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C(C)C ZINC000309294456 323341625 /nfs/dbraw/zinc/34/16/25/323341625.db2.gz WRNRAYAHMTWOBV-NEPJUHHUSA-N 2 1 232.368 0.296 20 0 BCADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)O ZINC000577513699 365976234 /nfs/dbraw/zinc/97/62/34/365976234.db2.gz VUHZLOOYUJFIIH-MNOVXSKESA-N 2 1 230.352 0.192 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000393772024 490689386 /nfs/dbraw/zinc/68/93/86/490689386.db2.gz HPUUIRAQSQDMOI-MRVPVSSYSA-N 2 1 226.349 0.597 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000393772024 490689391 /nfs/dbraw/zinc/68/93/91/490689391.db2.gz HPUUIRAQSQDMOI-MRVPVSSYSA-N 2 1 226.349 0.597 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000245397699 350818106 /nfs/dbraw/zinc/81/81/06/350818106.db2.gz QANWCVKFCBFAKD-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000245397699 350818110 /nfs/dbraw/zinc/81/81/10/350818110.db2.gz QANWCVKFCBFAKD-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCn1nnc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623085735 350842824 /nfs/dbraw/zinc/84/28/24/350842824.db2.gz BMIKZBUYBKGBOR-UHFFFAOYSA-N 2 1 248.334 0.672 20 0 BCADMP CC[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336682673 350908393 /nfs/dbraw/zinc/90/83/93/350908393.db2.gz FBYFLPYXULXZRL-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149280 350877030 /nfs/dbraw/zinc/87/70/30/350877030.db2.gz VSGTXUYRTWDVAS-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382817952 351052867 /nfs/dbraw/zinc/05/28/67/351052867.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382817952 351052882 /nfs/dbraw/zinc/05/28/82/351052882.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382817952 351052883 /nfs/dbraw/zinc/05/28/83/351052883.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 2 1 232.368 0.390 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414671141 351578547 /nfs/dbraw/zinc/57/85/47/351578547.db2.gz NDDPGACTUJRPSF-WOPDTQHZSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@H+]1C ZINC000637802810 351638179 /nfs/dbraw/zinc/63/81/79/351638179.db2.gz UZLPIKFDLKXWEA-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000637816260 351656058 /nfs/dbraw/zinc/65/60/58/351656058.db2.gz FMRNNXFDWVHLPA-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH2+]C1 ZINC000637837364 351691448 /nfs/dbraw/zinc/69/14/48/351691448.db2.gz FJENVYPZESNHRZ-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000637837671 351692220 /nfs/dbraw/zinc/69/22/20/351692220.db2.gz KOGISZQQLDCYDP-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H](C)[NH2+]1 ZINC000637841089 351696346 /nfs/dbraw/zinc/69/63/46/351696346.db2.gz QFAWNLRXBZOYSJ-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000637840661 351696508 /nfs/dbraw/zinc/69/65/08/351696508.db2.gz GVNJMMNKPZKVTE-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]1C ZINC000637840663 351696599 /nfs/dbraw/zinc/69/65/99/351696599.db2.gz GVNJMMNKPZKVTE-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637841386 351697638 /nfs/dbraw/zinc/69/76/38/351697638.db2.gz KHWQXZPNVCHHPH-GFCCVEGCSA-N 2 1 236.319 0.435 20 0 BCADMP C[N@@H+](CC(=O)N1CC[C@H]([NH3+])C1)CC(C)(C)C ZINC000637823308 351668303 /nfs/dbraw/zinc/66/83/03/351668303.db2.gz QXIRWBUCWUOMAO-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000637827508 351669659 /nfs/dbraw/zinc/66/96/59/351669659.db2.gz SBAYANUONUCDMW-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+](CC(=O)N[C@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854735 351713809 /nfs/dbraw/zinc/71/38/09/351713809.db2.gz FGKHLUFVAGPXRQ-LLVKDONJSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638072584 351942363 /nfs/dbraw/zinc/94/23/63/351942363.db2.gz OWCMZFUGVGOSHG-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638072838 351942835 /nfs/dbraw/zinc/94/28/35/351942835.db2.gz PZEKDWWTVRQBJO-ZYHUDNBSSA-N 2 1 249.358 0.634 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638071504 351943298 /nfs/dbraw/zinc/94/32/98/351943298.db2.gz FXDNITDMKBGWHW-FRRDWIJNSA-N 2 1 249.358 0.777 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071260 351943555 /nfs/dbraw/zinc/94/35/55/351943555.db2.gz BBWYHTIAXCBYAG-CMPLNLGQSA-N 2 1 237.347 0.492 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638072751 351945252 /nfs/dbraw/zinc/94/52/52/351945252.db2.gz VIXXCRSHQTXGRM-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000638146558 352010603 /nfs/dbraw/zinc/01/06/03/352010603.db2.gz UPVFXYVSDUESFY-GARJFASQSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH3+])CC[N@H+]1C ZINC000638146559 352010684 /nfs/dbraw/zinc/01/06/84/352010684.db2.gz UPVFXYVSDUESFY-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079310 351954138 /nfs/dbraw/zinc/95/41/38/351954138.db2.gz RWHOCNPNNKGSJW-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085536 351962187 /nfs/dbraw/zinc/96/21/87/351962187.db2.gz MGZDSVHGXYTPPQ-ZYHUDNBSSA-N 2 1 237.347 0.492 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638150231 352011542 /nfs/dbraw/zinc/01/15/42/352011542.db2.gz VPVSEBFUUOLDJR-ONGXEEELSA-N 2 1 236.319 0.387 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638097018 351977773 /nfs/dbraw/zinc/97/77/73/351977773.db2.gz QLWCVUGHVNNWKP-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638098315 351977993 /nfs/dbraw/zinc/97/79/93/351977993.db2.gz BLWDHLXHMICNKB-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638102218 351983436 /nfs/dbraw/zinc/98/34/36/351983436.db2.gz UCQOPOZCGBAZCS-WCQYABFASA-N 2 1 249.358 0.729 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000638130642 351999135 /nfs/dbraw/zinc/99/91/35/351999135.db2.gz LZAGNIBJLSFUQT-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638182923 352045840 /nfs/dbraw/zinc/04/58/40/352045840.db2.gz YZKJDIZFTPSSPS-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638182931 352046208 /nfs/dbraw/zinc/04/62/08/352046208.db2.gz YZKJDIZFTPSSPS-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638200117 352060891 /nfs/dbraw/zinc/06/08/91/352060891.db2.gz ONZMFAQDVNMUSH-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638214617 352076411 /nfs/dbraw/zinc/07/64/11/352076411.db2.gz AUAKBOIFCLINBP-CMPLNLGQSA-N 2 1 248.330 0.292 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638209772 352072459 /nfs/dbraw/zinc/07/24/59/352072459.db2.gz CCPKLASABXBHOG-SECBINFHSA-N 2 1 215.341 0.428 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638210113 352072948 /nfs/dbraw/zinc/07/29/48/352072948.db2.gz MXPIZPMXEPHOFZ-KOLCDFICSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000638155678 352018582 /nfs/dbraw/zinc/01/85/82/352018582.db2.gz FTRFESADJYTGIS-MWLCHTKSSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000638158805 352022885 /nfs/dbraw/zinc/02/28/85/352022885.db2.gz STRQBHCYPNCXAA-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH3+])CC[N@H+]1C ZINC000638210505 352073352 /nfs/dbraw/zinc/07/33/52/352073352.db2.gz ICZWSOPVEQWTFP-LPEHRKFASA-N 2 1 213.325 0.180 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC000638211725 352073552 /nfs/dbraw/zinc/07/35/52/352073552.db2.gz APPGBKRXGZXHLY-SECBINFHSA-N 2 1 224.308 0.306 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000638160881 352027999 /nfs/dbraw/zinc/02/79/99/352027999.db2.gz ZVEHCJJRTQOPDS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638218604 352078212 /nfs/dbraw/zinc/07/82/12/352078212.db2.gz DNATUPFCPOTUHP-AAEUAGOBSA-N 2 1 239.363 0.526 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246339 352092913 /nfs/dbraw/zinc/09/29/13/352092913.db2.gz BSXJPOLXEKPJHK-UWVGGRQHSA-N 2 1 240.282 0.008 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638253581 352096273 /nfs/dbraw/zinc/09/62/73/352096273.db2.gz BMEVHWXHTKNSMX-YUMQZZPRSA-N 2 1 210.281 0.043 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638253517 352096537 /nfs/dbraw/zinc/09/65/37/352096537.db2.gz AEVCVTQSBFHHNA-UTLUCORTSA-N 2 1 213.325 0.323 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH3+])C2)CC[N@H+]1C ZINC000638256575 352099976 /nfs/dbraw/zinc/09/99/76/352099976.db2.gz UKONBTSCHMUWOV-MMVSWEMESA-N 2 1 239.363 0.665 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000638304507 352135561 /nfs/dbraw/zinc/13/55/61/352135561.db2.gz QNAKJSGSCCVJMO-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638259754 352102845 /nfs/dbraw/zinc/10/28/45/352102845.db2.gz SOEHFDSMMZNANM-BDAKNGLRSA-N 2 1 249.305 0.427 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638269957 352107559 /nfs/dbraw/zinc/10/75/59/352107559.db2.gz VTYPRJIIXMOKOD-QWRGUYRKSA-N 2 1 236.319 0.435 20 0 BCADMP C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC000638347482 352164910 /nfs/dbraw/zinc/16/49/10/352164910.db2.gz SLWZOEVHQMMJDJ-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])CC[N@H+]1C ZINC000638370393 352180066 /nfs/dbraw/zinc/18/00/66/352180066.db2.gz LYDQJCGFYGEURN-WHOHXGKFSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC[N@H+]1C ZINC000638370392 352180272 /nfs/dbraw/zinc/18/02/72/352180272.db2.gz LYDQJCGFYGEURN-NOOOWODRSA-N 2 1 241.379 0.959 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000638374929 352187143 /nfs/dbraw/zinc/18/71/43/352187143.db2.gz RPXRAFRUCCHRHM-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381361 352193139 /nfs/dbraw/zinc/19/31/39/352193139.db2.gz KWPVDBAMIUAMSU-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C[NH3+])C1CC1 ZINC000638329245 352149219 /nfs/dbraw/zinc/14/92/19/352149219.db2.gz PZZXKQWAGMXWHG-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638429246 352236897 /nfs/dbraw/zinc/23/68/97/352236897.db2.gz FIMWKRYTFHBIOQ-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638429889 352237774 /nfs/dbraw/zinc/23/77/74/352237774.db2.gz JDTMKQUADUIKAQ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638399031 352205731 /nfs/dbraw/zinc/20/57/31/352205731.db2.gz XRCZZOJPDQRYEF-MWLCHTKSSA-N 2 1 236.319 0.530 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424328 352232074 /nfs/dbraw/zinc/23/20/74/352232074.db2.gz HRWBPTMFVWFOHA-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638487892 352298333 /nfs/dbraw/zinc/29/83/33/352298333.db2.gz BUEHZFDMCMWALH-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(CC[NH3+])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638513646 352338947 /nfs/dbraw/zinc/33/89/47/352338947.db2.gz UJJNZRHOFUKWRK-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638528750 352361571 /nfs/dbraw/zinc/36/15/71/352361571.db2.gz RBJLPBKSBUXXMJ-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638639707 352481840 /nfs/dbraw/zinc/48/18/40/352481840.db2.gz MTSPKMHUPPQDGE-ONGXEEELSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638643440 352487439 /nfs/dbraw/zinc/48/74/39/352487439.db2.gz BSRFFITUOMFJRH-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042308782 352618209 /nfs/dbraw/zinc/61/82/09/352618209.db2.gz GZQDDGKWJBXZGQ-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638730347 352593156 /nfs/dbraw/zinc/59/31/56/352593156.db2.gz VOXBXTADWROICB-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360130 352560183 /nfs/dbraw/zinc/56/01/83/352560183.db2.gz UFPKXUKDCPAQTK-JQWIXIFHSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000300536006 352565537 /nfs/dbraw/zinc/56/55/37/352565537.db2.gz HZPKOHUSEQDRML-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000300536006 352565539 /nfs/dbraw/zinc/56/55/39/352565539.db2.gz HZPKOHUSEQDRML-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CCOCC[NH3+] ZINC000301013582 352583902 /nfs/dbraw/zinc/58/39/02/352583902.db2.gz HDNQMYYJANBPSO-UHFFFAOYSA-N 3 1 226.324 0.180 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497722 352637650 /nfs/dbraw/zinc/63/76/50/352637650.db2.gz RLAGHRRTTQJHIR-UHFFFAOYSA-N 2 1 227.352 0.429 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638781153 352734230 /nfs/dbraw/zinc/73/42/30/352734230.db2.gz WOYALTXHBUQTKE-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000334314283 352945238 /nfs/dbraw/zinc/94/52/38/352945238.db2.gz MBZHWEBJRRZMTF-RYUDHWBXSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000334314283 352945240 /nfs/dbraw/zinc/94/52/40/352945240.db2.gz MBZHWEBJRRZMTF-RYUDHWBXSA-N 2 1 241.379 0.735 20 0 BCADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000638818923 352999648 /nfs/dbraw/zinc/99/96/48/352999648.db2.gz FWOLKIBAYGIZRV-ZJUUUORDSA-N 2 1 243.376 0.379 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000261573380 535198345 /nfs/dbraw/zinc/19/83/45/535198345.db2.gz ITEQIEQPVMHNSS-VIFPVBQESA-N 2 1 213.325 0.311 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638930771 353091598 /nfs/dbraw/zinc/09/15/98/353091598.db2.gz MDYWWFUADXGZIL-PSASIEDQSA-N 2 1 222.292 0.140 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930899 353091990 /nfs/dbraw/zinc/09/19/90/353091990.db2.gz UDZURRZOVMMYRU-SDDRHHMPSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638931507 353092562 /nfs/dbraw/zinc/09/25/62/353092562.db2.gz PKCHHDHFDIRXHX-WDEREUQCSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638931404 353092677 /nfs/dbraw/zinc/09/26/77/353092677.db2.gz PKCHHDHFDIRXHX-GHMZBOCLSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638933259 353095513 /nfs/dbraw/zinc/09/55/13/353095513.db2.gz YAJZRHXOQNYTAL-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638934485 353098121 /nfs/dbraw/zinc/09/81/21/353098121.db2.gz IKKFLOAIISIXFJ-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638929345 353099301 /nfs/dbraw/zinc/09/93/01/353099301.db2.gz FXPGCWXYYZJEBP-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000638938661 353119982 /nfs/dbraw/zinc/11/99/82/353119982.db2.gz KMTXNBBJDFERAG-WISYIIOYSA-N 2 1 237.347 0.289 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357412281 188065856 /nfs/dbraw/zinc/06/58/56/188065856.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357412281 188065858 /nfs/dbraw/zinc/06/58/58/188065858.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357412281 188065860 /nfs/dbraw/zinc/06/58/60/188065860.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000357081437 188066576 /nfs/dbraw/zinc/06/65/76/188066576.db2.gz GWHNSGZFPYLPKB-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358271267 188067642 /nfs/dbraw/zinc/06/76/42/188067642.db2.gz XPTISAAVMXJPBZ-WCFLWFBJSA-N 2 1 239.363 0.537 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358271267 188067643 /nfs/dbraw/zinc/06/76/43/188067643.db2.gz XPTISAAVMXJPBZ-WCFLWFBJSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000123692762 188084213 /nfs/dbraw/zinc/08/42/13/188084213.db2.gz YHLSEWOWTHGEAL-CMPLNLGQSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000123692762 188084214 /nfs/dbraw/zinc/08/42/14/188084214.db2.gz YHLSEWOWTHGEAL-CMPLNLGQSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508155 188118610 /nfs/dbraw/zinc/11/86/10/188118610.db2.gz JILMNUQBSJSZSC-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150976 188159768 /nfs/dbraw/zinc/15/97/68/188159768.db2.gz VPOBQQAADTXCPY-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000236789122 188148520 /nfs/dbraw/zinc/14/85/20/188148520.db2.gz WGDRWWUYLKZHQC-SCVCMEIPSA-N 2 1 239.363 0.711 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236649129 188148960 /nfs/dbraw/zinc/14/89/60/188148960.db2.gz FKOSJRFNOXSUKC-VIFPVBQESA-N 2 1 201.314 0.038 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366559577 188193836 /nfs/dbraw/zinc/19/38/36/188193836.db2.gz RDRIWLDBVLXYCJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366559577 188193837 /nfs/dbraw/zinc/19/38/37/188193837.db2.gz RDRIWLDBVLXYCJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366559577 188193839 /nfs/dbraw/zinc/19/38/39/188193839.db2.gz RDRIWLDBVLXYCJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC(C)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298584 353247504 /nfs/dbraw/zinc/24/75/04/353247504.db2.gz AIQDADLLXBLPNT-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298715 353247598 /nfs/dbraw/zinc/24/75/98/353247598.db2.gz IPDYQNZNFPOWPA-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121294531 324008736 /nfs/dbraw/zinc/00/87/36/324008736.db2.gz CMVPRRTWRBAYOT-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121294531 324008739 /nfs/dbraw/zinc/00/87/39/324008739.db2.gz CMVPRRTWRBAYOT-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044752133 188217069 /nfs/dbraw/zinc/21/70/69/188217069.db2.gz DGXKQWNVBIFJGM-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344586 353269711 /nfs/dbraw/zinc/26/97/11/353269711.db2.gz QFFWTMABOORHKT-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)(C)N1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332708606 188226860 /nfs/dbraw/zinc/22/68/60/188226860.db2.gz OGZLRJAQOSHFLB-VWYCJHECSA-N 2 1 239.363 0.855 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000336402132 188228748 /nfs/dbraw/zinc/22/87/48/188228748.db2.gz XSLUTKYMDXPWRX-BETUJISGSA-N 2 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000336402132 188228750 /nfs/dbraw/zinc/22/87/50/188228750.db2.gz XSLUTKYMDXPWRX-BETUJISGSA-N 2 1 223.364 0.812 20 0 BCADMP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846182 353312301 /nfs/dbraw/zinc/31/23/01/353312301.db2.gz FKYTXVFCGSVHOO-XWLWVQCSSA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846182 353312303 /nfs/dbraw/zinc/31/23/03/353312303.db2.gz FKYTXVFCGSVHOO-XWLWVQCSSA-N 2 1 226.320 0.607 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000252214151 353299343 /nfs/dbraw/zinc/29/93/43/353299343.db2.gz YUYPTIUYMZBORP-OPRDCNLKSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000252214151 353299346 /nfs/dbraw/zinc/29/93/46/353299346.db2.gz YUYPTIUYMZBORP-OPRDCNLKSA-N 2 1 243.376 0.248 20 0 BCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846127 353312029 /nfs/dbraw/zinc/31/20/29/353312029.db2.gz FKBXAKMHBWTDCR-DCAQKATOSA-N 2 1 225.336 0.134 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252864633 353312790 /nfs/dbraw/zinc/31/27/90/353312790.db2.gz PIFDNISZUWOLLE-UKKRHICBSA-N 2 1 225.336 0.310 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043785 353328966 /nfs/dbraw/zinc/32/89/66/353328966.db2.gz ZJQCLJVHUBABAP-XYPYZODXSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@H](C)[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049434 353344110 /nfs/dbraw/zinc/34/41/10/353344110.db2.gz RAPFJJKKGAQZBX-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@H](C)[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049434 353344115 /nfs/dbraw/zinc/34/41/15/353344115.db2.gz RAPFJJKKGAQZBX-YNEHKIRRSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000639049202 353347793 /nfs/dbraw/zinc/34/77/93/353347793.db2.gz KCCFKZNGLRVKGZ-GUBZILKMSA-N 2 1 234.290 0.686 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639049202 353347794 /nfs/dbraw/zinc/34/77/94/353347794.db2.gz KCCFKZNGLRVKGZ-GUBZILKMSA-N 2 1 234.290 0.686 20 0 BCADMP FC(F)COCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308904929 491050192 /nfs/dbraw/zinc/05/01/92/491050192.db2.gz MCLSLCPKZVJPOX-IUCAKERBSA-N 2 1 220.263 0.419 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000577865423 366088362 /nfs/dbraw/zinc/08/83/62/366088362.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 1 212.337 0.783 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000577865423 366088364 /nfs/dbraw/zinc/08/83/64/366088364.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 1 212.337 0.783 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192098178 353542126 /nfs/dbraw/zinc/54/21/26/353542126.db2.gz CUTHTIWRNSBMQE-WDEREUQCSA-N 2 1 245.367 0.054 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192108290 353542654 /nfs/dbraw/zinc/54/26/54/353542654.db2.gz DAWQYIOGZSYFEG-GARJFASQSA-N 2 1 229.368 0.816 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193309235 353589762 /nfs/dbraw/zinc/58/97/62/353589762.db2.gz QKINOFYTZWYNRU-GHMZBOCLSA-N 2 1 229.368 0.960 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCc1cnccn1 ZINC000403063510 353563249 /nfs/dbraw/zinc/56/32/49/353563249.db2.gz RYKVDDVORCFXNM-UHFFFAOYSA-N 2 1 208.309 0.560 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCc1cnccn1 ZINC000403063510 353563251 /nfs/dbraw/zinc/56/32/51/353563251.db2.gz RYKVDDVORCFXNM-UHFFFAOYSA-N 2 1 208.309 0.560 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062889603 353573445 /nfs/dbraw/zinc/57/34/45/353573445.db2.gz LSEFJMAYTKOZTD-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000577864664 366090093 /nfs/dbraw/zinc/09/00/93/366090093.db2.gz RAFOVMWHJGIADC-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@](C)(O)C[NH+]1CCSCC1 ZINC000577878615 366094943 /nfs/dbraw/zinc/09/49/43/366094943.db2.gz PWDPGFWDEIOYBT-VIFPVBQESA-N 2 1 204.339 0.006 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000639112024 353703973 /nfs/dbraw/zinc/70/39/73/353703973.db2.gz MFQIBSCRDUMDAL-TUAOUCFPSA-N 2 1 241.379 0.829 20 0 BCADMP CNC(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000639112024 353703976 /nfs/dbraw/zinc/70/39/76/353703976.db2.gz MFQIBSCRDUMDAL-TUAOUCFPSA-N 2 1 241.379 0.829 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000261545240 535246470 /nfs/dbraw/zinc/24/64/70/535246470.db2.gz JRYKRNYLEPHZAB-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(C)[nH+]1 ZINC000252450818 363261007 /nfs/dbraw/zinc/26/10/07/363261007.db2.gz VPMQOVQUKBTGGB-JZYVYDRUSA-N 2 1 204.277 0.723 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H](C)CC[NH+](C)C)C1CC1 ZINC000343440448 353887674 /nfs/dbraw/zinc/88/76/74/353887674.db2.gz FFOYFVNOUQDGKT-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537022 353923688 /nfs/dbraw/zinc/92/36/88/353923688.db2.gz JGAHAEKARXPCCF-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537021 353923991 /nfs/dbraw/zinc/92/39/91/353923991.db2.gz JGAHAEKARXPCCF-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC000343857747 354024226 /nfs/dbraw/zinc/02/42/26/354024226.db2.gz VVDVGVUWRYPSOO-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CN(CCC[N@@H+](C)CCCO)CC[NH+](C)C ZINC000344044794 354108979 /nfs/dbraw/zinc/10/89/79/354108979.db2.gz XMUDFOJHUYOAKZ-UHFFFAOYSA-N 2 1 231.384 0.184 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680752 202000655 /nfs/dbraw/zinc/00/06/55/202000655.db2.gz KTJCKIATTDCVJE-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449727467 202008172 /nfs/dbraw/zinc/00/81/72/202008172.db2.gz PZDGABNLPMJJPH-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627135349 363355142 /nfs/dbraw/zinc/35/51/42/363355142.db2.gz QZCIMYFBJQDNMF-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000334606723 354313809 /nfs/dbraw/zinc/31/38/09/354313809.db2.gz ODFKKBRKHZNIKC-VHSXEESVSA-N 2 1 243.376 0.236 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000334620285 354356777 /nfs/dbraw/zinc/35/67/77/354356777.db2.gz PYWKQVQJDYGXOM-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000345015521 354394534 /nfs/dbraw/zinc/39/45/34/354394534.db2.gz SKRGICDIDNDVGY-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000345015521 354394536 /nfs/dbraw/zinc/39/45/36/354394536.db2.gz SKRGICDIDNDVGY-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCC[NH+]1C ZINC000345015521 354394537 /nfs/dbraw/zinc/39/45/37/354394537.db2.gz SKRGICDIDNDVGY-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CCC[NH+]1C ZINC000345015521 354394539 /nfs/dbraw/zinc/39/45/39/354394539.db2.gz SKRGICDIDNDVGY-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000578024057 366188642 /nfs/dbraw/zinc/18/86/42/366188642.db2.gz LYXSCGWVQQSVBY-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000578024057 366188647 /nfs/dbraw/zinc/18/86/47/366188647.db2.gz LYXSCGWVQQSVBY-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000578024057 366188652 /nfs/dbraw/zinc/18/86/52/366188652.db2.gz LYXSCGWVQQSVBY-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000578024055 366189261 /nfs/dbraw/zinc/18/92/61/366189261.db2.gz LYXSCGWVQQSVBY-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000578024055 366189268 /nfs/dbraw/zinc/18/92/68/366189268.db2.gz LYXSCGWVQQSVBY-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000578024055 366189273 /nfs/dbraw/zinc/18/92/73/366189273.db2.gz LYXSCGWVQQSVBY-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000345327953 354611318 /nfs/dbraw/zinc/61/13/18/354611318.db2.gz UMBRKEFUIXVEPF-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000345327953 354611321 /nfs/dbraw/zinc/61/13/21/354611321.db2.gz UMBRKEFUIXVEPF-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345327953 354611326 /nfs/dbraw/zinc/61/13/26/354611326.db2.gz UMBRKEFUIXVEPF-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000345326343 354611554 /nfs/dbraw/zinc/61/15/54/354611554.db2.gz SQAHYCFZXKIIOM-QJPTWQEYSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335109625 354695512 /nfs/dbraw/zinc/69/55/12/354695512.db2.gz BJQBIFFLQXINNJ-BDAKNGLRSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCC[NH3+] ZINC000166028322 354839406 /nfs/dbraw/zinc/83/94/06/354839406.db2.gz HDYMTIVZIOGJAC-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000346271483 354886363 /nfs/dbraw/zinc/88/63/63/354886363.db2.gz DHWFMOFTULFTOC-NSHDSACASA-N 2 1 236.319 0.471 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335957370 134023834 /nfs/dbraw/zinc/02/38/34/134023834.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335957370 134023835 /nfs/dbraw/zinc/02/38/35/134023835.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335957370 134023836 /nfs/dbraw/zinc/02/38/36/134023836.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@]1(CNC(=O)[C@H]2CSC[NH2+]2)CCC[NH2+]C1 ZINC000335164243 354950747 /nfs/dbraw/zinc/95/07/47/354950747.db2.gz URXYKDAUUGOYPN-MWLCHTKSSA-N 2 1 243.376 0.155 20 0 BCADMP C[C@]1(CNC(=O)[C@@H]2CSC[NH2+]2)CCC[NH2+]C1 ZINC000335164244 354950892 /nfs/dbraw/zinc/95/08/92/354950892.db2.gz URXYKDAUUGOYPN-ONGXEEELSA-N 2 1 243.376 0.155 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000166066306 355005809 /nfs/dbraw/zinc/00/58/09/355005809.db2.gz BQHCATAPDPDXBB-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000335186437 355085013 /nfs/dbraw/zinc/08/50/13/355085013.db2.gz ZHWILIZYODGHEC-WDEREUQCSA-N 2 1 223.320 0.043 20 0 BCADMP Cn1nnc2cc(C[NH+]3CCC([NH3+])CC3)ccc21 ZINC000346692050 355076278 /nfs/dbraw/zinc/07/62/78/355076278.db2.gz YLFSZJWOBLBKFF-UHFFFAOYSA-N 2 1 245.330 0.891 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000335183755 355082094 /nfs/dbraw/zinc/08/20/94/355082094.db2.gz DEMPTGNABZWYFU-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000335217904 355056409 /nfs/dbraw/zinc/05/64/09/355056409.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335217904 355056413 /nfs/dbraw/zinc/05/64/13/355056413.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335217904 355056415 /nfs/dbraw/zinc/05/64/15/355056415.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000335217907 355056463 /nfs/dbraw/zinc/05/64/63/355056463.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335217907 355056465 /nfs/dbraw/zinc/05/64/65/355056465.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335217907 355056468 /nfs/dbraw/zinc/05/64/68/355056468.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000335220973 355060945 /nfs/dbraw/zinc/06/09/45/355060945.db2.gz YGOSXLROQKTOOX-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000335220973 355060949 /nfs/dbraw/zinc/06/09/49/355060949.db2.gz YGOSXLROQKTOOX-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000335220973 355060953 /nfs/dbraw/zinc/06/09/53/355060953.db2.gz YGOSXLROQKTOOX-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833694 355130503 /nfs/dbraw/zinc/13/05/03/355130503.db2.gz MJUZGSSONGIJTC-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000346833694 355130505 /nfs/dbraw/zinc/13/05/05/355130505.db2.gz MJUZGSSONGIJTC-GHMZBOCLSA-N 2 1 249.362 0.712 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346840726 355133237 /nfs/dbraw/zinc/13/32/37/355133237.db2.gz GHMJRDXUXAFEFH-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346840726 355133240 /nfs/dbraw/zinc/13/32/40/355133240.db2.gz GHMJRDXUXAFEFH-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346840730 355133702 /nfs/dbraw/zinc/13/37/02/355133702.db2.gz GHMJRDXUXAFEFH-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346840730 355133703 /nfs/dbraw/zinc/13/37/03/355133703.db2.gz GHMJRDXUXAFEFH-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000346844847 355135372 /nfs/dbraw/zinc/13/53/72/355135372.db2.gz LWQDZXSZQVDQOW-RYUDHWBXSA-N 2 1 243.395 0.501 20 0 BCADMP CN(C)C(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346851206 355137802 /nfs/dbraw/zinc/13/78/02/355137802.db2.gz QVIXSGBEFZKVRL-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000347000577 355197872 /nfs/dbraw/zinc/19/78/72/355197872.db2.gz ZOHDKCISCLITCG-ZDUSSCGKSA-N 3 1 225.380 0.870 20 0 BCADMP CN(C)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000347000577 355197875 /nfs/dbraw/zinc/19/78/75/355197875.db2.gz ZOHDKCISCLITCG-ZDUSSCGKSA-N 2 1 225.380 0.870 20 0 BCADMP CN(C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000347000577 355197876 /nfs/dbraw/zinc/19/78/76/355197876.db2.gz ZOHDKCISCLITCG-ZDUSSCGKSA-N 2 1 225.380 0.870 20 0 BCADMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000413180649 191361009 /nfs/dbraw/zinc/36/10/09/191361009.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413180649 191361011 /nfs/dbraw/zinc/36/10/11/191361011.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413180649 191361013 /nfs/dbraw/zinc/36/10/13/191361013.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CCNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335281763 355273083 /nfs/dbraw/zinc/27/30/83/355273083.db2.gz XFFTTXFPBGFXPS-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000623226455 355291028 /nfs/dbraw/zinc/29/10/28/355291028.db2.gz BCDHLSGRHTZHJI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623226455 355291031 /nfs/dbraw/zinc/29/10/31/355291031.db2.gz BCDHLSGRHTZHJI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623226455 355291035 /nfs/dbraw/zinc/29/10/35/355291035.db2.gz BCDHLSGRHTZHJI-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CNC(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000582160167 355304980 /nfs/dbraw/zinc/30/49/80/355304980.db2.gz WLUOYZWBMBNFQE-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000352016113 134036853 /nfs/dbraw/zinc/03/68/53/134036853.db2.gz VCMZXBWKWWSVHU-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000352016113 134036854 /nfs/dbraw/zinc/03/68/54/134036854.db2.gz VCMZXBWKWWSVHU-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000352016113 134036855 /nfs/dbraw/zinc/03/68/55/134036855.db2.gz VCMZXBWKWWSVHU-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352016113 134036856 /nfs/dbraw/zinc/03/68/56/134036856.db2.gz VCMZXBWKWWSVHU-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000639253095 355287762 /nfs/dbraw/zinc/28/77/62/355287762.db2.gz KVZCMLZVOCEGQW-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000639253095 355287763 /nfs/dbraw/zinc/28/77/63/355287763.db2.gz KVZCMLZVOCEGQW-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000608376365 355388815 /nfs/dbraw/zinc/38/88/15/355388815.db2.gz RWQXSPLGVTXVJW-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794757 355450425 /nfs/dbraw/zinc/45/04/25/355450425.db2.gz MYOCHWSGIYFQNJ-KBPBESRZSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794757 355450429 /nfs/dbraw/zinc/45/04/29/355450429.db2.gz MYOCHWSGIYFQNJ-KBPBESRZSA-N 2 1 237.391 0.917 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH3+])C[C@H]1C ZINC000335840525 355584257 /nfs/dbraw/zinc/58/42/57/355584257.db2.gz NOUYRNHHXIAQIU-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000335852307 355596722 /nfs/dbraw/zinc/59/67/22/355596722.db2.gz VCJWZWHCAFHDPZ-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000383975421 355840406 /nfs/dbraw/zinc/84/04/06/355840406.db2.gz KZSXQFQRHJYZBJ-VXGBXAGGSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000383975421 355840407 /nfs/dbraw/zinc/84/04/07/355840407.db2.gz KZSXQFQRHJYZBJ-VXGBXAGGSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000383975392 355840441 /nfs/dbraw/zinc/84/04/41/355840441.db2.gz KZSXQFQRHJYZBJ-NEPJUHHUSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000383975392 355840443 /nfs/dbraw/zinc/84/04/43/355840443.db2.gz KZSXQFQRHJYZBJ-NEPJUHHUSA-N 2 1 244.379 0.704 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000520421915 355920588 /nfs/dbraw/zinc/92/05/88/355920588.db2.gz OLZJNMCJSYPWPM-IUCAKERBSA-N 2 1 249.305 0.604 20 0 BCADMP CC[NH+]1CCC(NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000583638248 355939774 /nfs/dbraw/zinc/93/97/74/355939774.db2.gz YNFHIEOTNZUBKW-UHFFFAOYSA-N 2 1 249.305 0.571 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]12 ZINC000351488176 355999793 /nfs/dbraw/zinc/99/97/93/355999793.db2.gz DXWIAYJGXAXAPJ-QJPTWQEYSA-N 2 1 237.347 0.278 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167197873 355968337 /nfs/dbraw/zinc/96/83/37/355968337.db2.gz PTMDGJNBUHZJNS-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@H]1O ZINC000352115826 134073088 /nfs/dbraw/zinc/07/30/88/134073088.db2.gz OXRCOVNJQMQWHT-YNEHKIRRSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CC1 ZINC000352115826 134073089 /nfs/dbraw/zinc/07/30/89/134073089.db2.gz OXRCOVNJQMQWHT-YNEHKIRRSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CC1 ZINC000352115826 134073090 /nfs/dbraw/zinc/07/30/90/134073090.db2.gz OXRCOVNJQMQWHT-YNEHKIRRSA-N 2 1 242.363 0.287 20 0 BCADMP CCN(C[C@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352115427 134071483 /nfs/dbraw/zinc/07/14/83/134071483.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C[C@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352115427 134071484 /nfs/dbraw/zinc/07/14/84/134071484.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C[C@H](C)O)C[C@H](O)C[NH+](C)C1CC1 ZINC000352115427 134071485 /nfs/dbraw/zinc/07/14/85/134071485.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@H](C)O)C[C@H](O)C[NH+](C)C1CC1 ZINC000352115427 134071486 /nfs/dbraw/zinc/07/14/86/134071486.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352115427 134071487 /nfs/dbraw/zinc/07/14/87/134071487.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352115427 134071488 /nfs/dbraw/zinc/07/14/88/134071488.db2.gz LDZJDWXIBZIVEJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000617553551 356110924 /nfs/dbraw/zinc/11/09/24/356110924.db2.gz KLRJHCCBJYORRN-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418198006 191994708 /nfs/dbraw/zinc/99/47/08/191994708.db2.gz KSKKOHCBAZRUBU-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC000351807789 356088625 /nfs/dbraw/zinc/08/86/25/356088625.db2.gz HYFINKDLXNBLTO-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000351866165 356101469 /nfs/dbraw/zinc/10/14/69/356101469.db2.gz QOWBMUDEQIXYAV-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000351866165 356101474 /nfs/dbraw/zinc/10/14/74/356101474.db2.gz QOWBMUDEQIXYAV-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623261568 356148709 /nfs/dbraw/zinc/14/87/09/356148709.db2.gz XHUFNOJRWYXOOV-JQWIXIFHSA-N 2 1 248.330 0.408 20 0 BCADMP CN1CCCC[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623261568 356148711 /nfs/dbraw/zinc/14/87/11/356148711.db2.gz XHUFNOJRWYXOOV-JQWIXIFHSA-N 2 1 248.330 0.408 20 0 BCADMP C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418298445 192020213 /nfs/dbraw/zinc/02/02/13/192020213.db2.gz JFINQEFGJRVHPB-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCOC1 ZINC000160080057 356201132 /nfs/dbraw/zinc/20/11/32/356201132.db2.gz IMQXUQKSDLYBRK-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000331823644 356203990 /nfs/dbraw/zinc/20/39/90/356203990.db2.gz CGBVFYMIYRAJJF-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]([NH3+])CC ZINC000420264225 192191157 /nfs/dbraw/zinc/19/11/57/192191157.db2.gz OUNDUPWUJLTWCY-SECBINFHSA-N 2 1 237.303 0.829 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420297961 192204406 /nfs/dbraw/zinc/20/44/06/192204406.db2.gz ZGXVKPYQMJDBKA-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300974 192207472 /nfs/dbraw/zinc/20/74/72/192207472.db2.gz DLTWVAOJCKYCRS-WDEREUQCSA-N 2 1 240.347 0.999 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420299643 192206418 /nfs/dbraw/zinc/20/64/18/192206418.db2.gz BDTDYRDENMTVOI-TUAOUCFPSA-N 2 1 240.347 0.999 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420303339 192206866 /nfs/dbraw/zinc/20/68/66/192206866.db2.gz XECGQMCWVNWXHY-JTQLQIEISA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420318997 192196173 /nfs/dbraw/zinc/19/61/73/192196173.db2.gz QYLUHLJGYUWRPK-GFCCVEGCSA-N 2 1 240.347 0.871 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488823 356305638 /nfs/dbraw/zinc/30/56/38/356305638.db2.gz LNOAXDXXDZFKHO-NEPJUHHUSA-N 2 1 249.362 0.649 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302911 192206596 /nfs/dbraw/zinc/20/65/96/192206596.db2.gz MSQHGCDFYAWGPI-VXGBXAGGSA-N 2 1 239.363 0.716 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420303970 192207051 /nfs/dbraw/zinc/20/70/51/192207051.db2.gz IDXRSKFLKVBMLJ-DCAQKATOSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617752376 356311503 /nfs/dbraw/zinc/31/15/03/356311503.db2.gz MVTNLYLTGSLJDX-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CN(CC[NH3+])c1cc[nH+]c(N2CCCCC2)n1 ZINC000420288195 192201425 /nfs/dbraw/zinc/20/14/25/192201425.db2.gz SJOYCKUOZMQCME-UHFFFAOYSA-N 2 1 235.335 0.862 20 0 BCADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286841 192201478 /nfs/dbraw/zinc/20/14/78/192201478.db2.gz FUMKVGHKZUHOHD-NWDGAFQWSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286841 192201481 /nfs/dbraw/zinc/20/14/81/192201481.db2.gz FUMKVGHKZUHOHD-NWDGAFQWSA-N 3 1 211.353 0.670 20 0 BCADMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000617759506 356315993 /nfs/dbraw/zinc/31/59/93/356315993.db2.gz IRFFJMZHLYGGOH-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000420292898 192202664 /nfs/dbraw/zinc/20/26/64/192202664.db2.gz QHEGIBREDYFQLB-GHMZBOCLSA-N 2 1 240.347 0.999 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420313488 192213339 /nfs/dbraw/zinc/21/33/39/192213339.db2.gz UCPFVKWWCYYLOG-MNOVXSKESA-N 2 1 228.336 0.997 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337366 192213760 /nfs/dbraw/zinc/21/37/60/192213760.db2.gz WUAOEDCKQNFIIO-QWHCGFSZSA-N 3 1 225.380 0.917 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330486 192214142 /nfs/dbraw/zinc/21/41/42/192214142.db2.gz PVKLZYBLVIKFIK-SRVKXCTJSA-N 2 1 240.347 0.869 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338544 192216170 /nfs/dbraw/zinc/21/61/70/192216170.db2.gz RWMDWIIDTOFZAC-VOMCLLRMSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420349341 192217477 /nfs/dbraw/zinc/21/74/77/192217477.db2.gz CNQZKXSIWBLTCI-SRVKXCTJSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420349341 192217480 /nfs/dbraw/zinc/21/74/80/192217480.db2.gz CNQZKXSIWBLTCI-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420349341 192217483 /nfs/dbraw/zinc/21/74/83/192217483.db2.gz CNQZKXSIWBLTCI-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420349341 192217484 /nfs/dbraw/zinc/21/74/84/192217484.db2.gz CNQZKXSIWBLTCI-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346518 192217505 /nfs/dbraw/zinc/21/75/05/192217505.db2.gz YNJNONNRKXGVMF-UPJWGTAASA-N 3 1 223.364 0.670 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346518 192217508 /nfs/dbraw/zinc/21/75/08/192217508.db2.gz YNJNONNRKXGVMF-UPJWGTAASA-N 3 1 223.364 0.670 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301267 192207980 /nfs/dbraw/zinc/20/79/80/192207980.db2.gz LFZAHWUNCWKNGW-NWDGAFQWSA-N 2 1 244.404 0.786 20 0 BCADMP CCOC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420303532 192208027 /nfs/dbraw/zinc/20/80/27/192208027.db2.gz KOFSNAGKMLGBBL-LLVKDONJSA-N 2 1 216.325 0.903 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420307460 192208165 /nfs/dbraw/zinc/20/81/65/192208165.db2.gz MIBMFHAPHUQETE-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420307460 192208167 /nfs/dbraw/zinc/20/81/67/192208167.db2.gz MIBMFHAPHUQETE-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCOC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420313974 192212436 /nfs/dbraw/zinc/21/24/36/192212436.db2.gz UWBWEMNCKZECRE-UHFFFAOYSA-N 2 1 226.320 0.625 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420316555 192212879 /nfs/dbraw/zinc/21/28/79/192212879.db2.gz YIYXZQIANOSCJS-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP Cc1cnc(CC[N@@H+](C)CCOCC[NH3+])s1 ZINC000420367869 192225956 /nfs/dbraw/zinc/22/59/56/192225956.db2.gz WJNCMEMIHRCUBM-UHFFFAOYSA-N 2 1 243.376 0.901 20 0 BCADMP CCOC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367152 192226161 /nfs/dbraw/zinc/22/61/61/192226161.db2.gz MPPCSGWTIMBTNV-JFGNBEQYSA-N 2 1 228.336 0.916 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420327069 192229070 /nfs/dbraw/zinc/22/90/70/192229070.db2.gz CSZYHVKVZOCBLP-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420327069 192229073 /nfs/dbraw/zinc/22/90/73/192229073.db2.gz CSZYHVKVZOCBLP-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324326 192229783 /nfs/dbraw/zinc/22/97/83/192229783.db2.gz VJEHQQVNVDZHNP-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324325 192230157 /nfs/dbraw/zinc/23/01/57/192230157.db2.gz VJEHQQVNVDZHNP-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420327566 192230377 /nfs/dbraw/zinc/23/03/77/192230377.db2.gz DFEQHLRPSVIJOE-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420327566 192230378 /nfs/dbraw/zinc/23/03/78/192230378.db2.gz DFEQHLRPSVIJOE-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1cccn1 ZINC000420372215 192230503 /nfs/dbraw/zinc/23/05/03/192230503.db2.gz QBHDIDKHAAURHM-WOPDTQHZSA-N 2 1 222.336 0.859 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCC1 ZINC000420324687 192230676 /nfs/dbraw/zinc/23/06/76/192230676.db2.gz HMWAXYABCKJCFL-LLVKDONJSA-N 2 1 211.353 0.799 20 0 BCADMP CN(CC[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000420324687 192230678 /nfs/dbraw/zinc/23/06/78/192230678.db2.gz HMWAXYABCKJCFL-LLVKDONJSA-N 2 1 211.353 0.799 20 0 BCADMP CCC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000420363686 192224400 /nfs/dbraw/zinc/22/44/00/192224400.db2.gz BVXSHFRWYJGIEU-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CCC[C@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000420363684 192224489 /nfs/dbraw/zinc/22/44/89/192224489.db2.gz BVXSHFRWYJGIEU-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP CC(C)N(C)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420365554 192224548 /nfs/dbraw/zinc/22/45/48/192224548.db2.gz QGNZIALFGKZICR-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP CCCCNC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420368188 192225389 /nfs/dbraw/zinc/22/53/89/192225389.db2.gz NIOSMTDOKIUJDU-LLVKDONJSA-N 2 1 241.379 0.880 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1CCOCC1 ZINC000420369333 192225660 /nfs/dbraw/zinc/22/56/60/192225660.db2.gz OIRWFHCSGOIXSU-UPJWGTAASA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(C)(C)O ZINC000420381241 192234149 /nfs/dbraw/zinc/23/41/49/192234149.db2.gz ZBLKURMUVDORSH-UTLUCORTSA-N 2 1 200.326 0.733 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000420380073 192234247 /nfs/dbraw/zinc/23/42/47/192234247.db2.gz BRUPWULHKJDVBU-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000420385912 192234694 /nfs/dbraw/zinc/23/46/94/192234694.db2.gz HJSUUVGSMXJNON-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420392348 192237130 /nfs/dbraw/zinc/23/71/30/192237130.db2.gz PJQVEFFKQSCSOZ-LLVKDONJSA-N 2 1 244.335 0.378 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420392348 192237132 /nfs/dbraw/zinc/23/71/32/192237132.db2.gz PJQVEFFKQSCSOZ-LLVKDONJSA-N 2 1 244.335 0.378 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCN(C)C[C@H]1CC ZINC000580351855 356429765 /nfs/dbraw/zinc/42/97/65/356429765.db2.gz UYUMAJGSYUHGEO-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000580351855 356429768 /nfs/dbraw/zinc/42/97/68/356429768.db2.gz UYUMAJGSYUHGEO-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000580351855 356429770 /nfs/dbraw/zinc/42/97/70/356429770.db2.gz UYUMAJGSYUHGEO-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000580351855 356429774 /nfs/dbraw/zinc/42/97/74/356429774.db2.gz UYUMAJGSYUHGEO-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420373166 192231230 /nfs/dbraw/zinc/23/12/30/192231230.db2.gz QWKKHTPIOZPSJP-DMDPSCGWSA-N 2 1 241.379 0.831 20 0 BCADMP COC[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375757 192231586 /nfs/dbraw/zinc/23/15/86/192231586.db2.gz UHVQUGJXPKCMMZ-XWLWVQCSSA-N 2 1 200.326 0.997 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000167590634 134105287 /nfs/dbraw/zinc/10/52/87/134105287.db2.gz POINZBWRPOJIHR-PWSUYJOCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000167590634 134105288 /nfs/dbraw/zinc/10/52/88/134105288.db2.gz POINZBWRPOJIHR-PWSUYJOCSA-N 2 1 222.336 0.837 20 0 BCADMP CC[NH+](CC)CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000019486893 356483559 /nfs/dbraw/zinc/48/35/59/356483559.db2.gz XLZCNBLNVKGHGQ-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP C[C@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000336212040 134134856 /nfs/dbraw/zinc/13/48/56/134134856.db2.gz CYZUUWQNWXOCQV-NWDGAFQWSA-N 2 1 243.326 0.146 20 0 BCADMP CC(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000639660917 356570743 /nfs/dbraw/zinc/57/07/43/356570743.db2.gz WRICZPGKIBKETJ-GFCCVEGCSA-N 2 1 210.321 0.993 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820477 356646132 /nfs/dbraw/zinc/64/61/32/356646132.db2.gz DNQGFKUKDWIMFO-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1C[NH3+] ZINC000167671033 134153641 /nfs/dbraw/zinc/15/36/41/134153641.db2.gz FQHIFZZBPMDKBC-ZJUUUORDSA-N 2 1 200.326 0.674 20 0 BCADMP C[NH+](C)C[C@]1(O)CCCN(Cc2cnc[nH]2)C1 ZINC000639760850 356675704 /nfs/dbraw/zinc/67/57/04/356675704.db2.gz BKKFNCFZVKDHKQ-GFCCVEGCSA-N 2 1 238.335 0.298 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167759165 134153751 /nfs/dbraw/zinc/15/37/51/134153751.db2.gz JLRNASZCEPXMEN-NWDGAFQWSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167759165 134153752 /nfs/dbraw/zinc/15/37/52/134153752.db2.gz JLRNASZCEPXMEN-NWDGAFQWSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000167763996 134153894 /nfs/dbraw/zinc/15/38/94/134153894.db2.gz IAQOIFURAKDPMF-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000167763996 134153895 /nfs/dbraw/zinc/15/38/95/134153895.db2.gz IAQOIFURAKDPMF-MNOVXSKESA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757862 356664812 /nfs/dbraw/zinc/66/48/12/356664812.db2.gz QAYHRVWVMWPHBN-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[NH2+]Cc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000167893073 134154218 /nfs/dbraw/zinc/15/42/18/134154218.db2.gz NQZSCWSSKXVUKH-UHFFFAOYSA-N 2 1 221.304 0.906 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@H]1C ZINC000578140200 366320054 /nfs/dbraw/zinc/32/00/54/366320054.db2.gz BYHRTRNWHNQTPA-TUAOUCFPSA-N 2 1 230.352 0.266 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000639763204 356688842 /nfs/dbraw/zinc/68/88/42/356688842.db2.gz WEHTXKHIMZTOAH-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000639763204 356688844 /nfs/dbraw/zinc/68/88/44/356688844.db2.gz WEHTXKHIMZTOAH-CHWSQXEVSA-N 2 1 242.363 0.554 20 0 BCADMP COCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764276 356690106 /nfs/dbraw/zinc/69/01/06/356690106.db2.gz ZOKADQJMOUEWEJ-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764259 356690310 /nfs/dbraw/zinc/69/03/10/356690310.db2.gz UNMQYEBDYSPDAJ-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CN(C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000639764628 356690996 /nfs/dbraw/zinc/69/09/96/356690996.db2.gz HQCQLBDDVCBJEV-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000639764628 356691003 /nfs/dbraw/zinc/69/10/03/356691003.db2.gz HQCQLBDDVCBJEV-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000639764628 356691006 /nfs/dbraw/zinc/69/10/06/356691006.db2.gz HQCQLBDDVCBJEV-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000582251588 356683872 /nfs/dbraw/zinc/68/38/72/356683872.db2.gz ZSIZFHQQNPMAIS-TUAOUCFPSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000353456654 134163787 /nfs/dbraw/zinc/16/37/87/134163787.db2.gz DNSHDMZAMAKKMA-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)O ZINC000578186549 366369745 /nfs/dbraw/zinc/36/97/45/366369745.db2.gz YASLWDIDZOUMPR-MNOVXSKESA-N 2 1 218.341 0.314 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339759 356737828 /nfs/dbraw/zinc/73/78/28/356737828.db2.gz JFXHABYANVRSSK-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339759 356737831 /nfs/dbraw/zinc/73/78/31/356737831.db2.gz JFXHABYANVRSSK-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065706 538641982 /nfs/dbraw/zinc/64/19/82/538641982.db2.gz JGFUNBAULCLFFB-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000578194272 366379158 /nfs/dbraw/zinc/37/91/58/366379158.db2.gz RJWUDVXFZYSOQS-LDYMZIIASA-N 2 1 237.303 0.158 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000357245505 356820336 /nfs/dbraw/zinc/82/03/36/356820336.db2.gz VDFVQQYQTLQBDF-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000357245138 356820540 /nfs/dbraw/zinc/82/05/40/356820540.db2.gz UTHLTOQVBPLNMX-NWDGAFQWSA-N 2 1 241.379 0.675 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848637 356846668 /nfs/dbraw/zinc/84/66/68/356846668.db2.gz HXYCFJWOMAXDMF-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848637 356846673 /nfs/dbraw/zinc/84/66/73/356846673.db2.gz HXYCFJWOMAXDMF-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CNC(=O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380511 356903911 /nfs/dbraw/zinc/90/39/11/356903911.db2.gz BRIKGQXYYHJLOI-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362361675 356944291 /nfs/dbraw/zinc/94/42/91/356944291.db2.gz ZGOVKOJUUZYEJA-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362361675 356944292 /nfs/dbraw/zinc/94/42/92/356944292.db2.gz ZGOVKOJUUZYEJA-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362361675 356944294 /nfs/dbraw/zinc/94/42/94/356944294.db2.gz ZGOVKOJUUZYEJA-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362361674 356944409 /nfs/dbraw/zinc/94/44/09/356944409.db2.gz ZGOVKOJUUZYEJA-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362361674 356944411 /nfs/dbraw/zinc/94/44/11/356944411.db2.gz ZGOVKOJUUZYEJA-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362361674 356944414 /nfs/dbraw/zinc/94/44/14/356944414.db2.gz ZGOVKOJUUZYEJA-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP CN1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000623393655 357002944 /nfs/dbraw/zinc/00/29/44/357002944.db2.gz MXQYWATUXDOYSM-QWRGUYRKSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639869348 357015431 /nfs/dbraw/zinc/01/54/31/357015431.db2.gz BDFHFJYGEDROSI-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000423230645 192640880 /nfs/dbraw/zinc/64/08/80/192640880.db2.gz DXYBWWYWCFBCKF-QWRGUYRKSA-N 2 1 237.351 0.743 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390679238 357114152 /nfs/dbraw/zinc/11/41/52/357114152.db2.gz WREYLYKUGVLJQU-JFGNBEQYSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390679238 357114157 /nfs/dbraw/zinc/11/41/57/357114157.db2.gz WREYLYKUGVLJQU-JFGNBEQYSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392806184 357234593 /nfs/dbraw/zinc/23/45/93/357234593.db2.gz CKTRVLHYWXYDSD-NEPJUHHUSA-N 2 1 237.347 0.363 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000393564975 357287200 /nfs/dbraw/zinc/28/72/00/357287200.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000393564975 357287203 /nfs/dbraw/zinc/28/72/03/357287203.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000393564975 357287206 /nfs/dbraw/zinc/28/72/06/357287206.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)COC ZINC000393729843 357294837 /nfs/dbraw/zinc/29/48/37/357294837.db2.gz DMPHVPIFVDPBKE-SNVBAGLBSA-N 2 1 218.341 0.314 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)COC ZINC000393729843 357294840 /nfs/dbraw/zinc/29/48/40/357294840.db2.gz DMPHVPIFVDPBKE-SNVBAGLBSA-N 2 1 218.341 0.314 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217384502 357260243 /nfs/dbraw/zinc/26/02/43/357260243.db2.gz DGXKQWNVBIFJGM-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392893980 357262496 /nfs/dbraw/zinc/26/24/96/357262496.db2.gz BOBVVALFGWBJLG-NSHDSACASA-N 2 1 225.336 0.220 20 0 BCADMP OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000582546880 357331746 /nfs/dbraw/zinc/33/17/46/357331746.db2.gz QNMCRQQFCBCASX-UTUOFQBUSA-N 2 1 228.336 0.116 20 0 BCADMP OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000582546878 357332002 /nfs/dbraw/zinc/33/20/02/357332002.db2.gz QNMCRQQFCBCASX-QJPTWQEYSA-N 2 1 228.336 0.116 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582673561 357360284 /nfs/dbraw/zinc/36/02/84/357360284.db2.gz QEEXHNXMEFZCMS-IUCAKERBSA-N 2 1 247.289 0.181 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000582736715 357377569 /nfs/dbraw/zinc/37/75/69/357377569.db2.gz GOYLTWACBJUKMN-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](NCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000582839320 357412057 /nfs/dbraw/zinc/41/20/57/357412057.db2.gz VTIXXRFLUBCHGS-CMPLNLGQSA-N 2 1 211.353 0.716 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000582844349 357414823 /nfs/dbraw/zinc/41/48/23/357414823.db2.gz JBYGEQPUXWLWJO-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)C1C[NH2+]C1 ZINC000582844737 357414855 /nfs/dbraw/zinc/41/48/55/357414855.db2.gz KMNRGGKPMOLZDP-BXKDBHETSA-N 2 1 243.326 0.002 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)C1C[NH2+]C1 ZINC000582844738 357414915 /nfs/dbraw/zinc/41/49/15/357414915.db2.gz KMNRGGKPMOLZDP-CABZTGNLSA-N 2 1 243.326 0.002 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCOC1)C1CC1 ZINC000397156161 357505256 /nfs/dbraw/zinc/50/52/56/357505256.db2.gz OFWLWVAIRRMDEU-OLZOCXBDSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)CCOC1)C1CC1 ZINC000397156161 357505259 /nfs/dbraw/zinc/50/52/59/357505259.db2.gz OFWLWVAIRRMDEU-OLZOCXBDSA-N 2 1 242.363 0.458 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000583084340 357475224 /nfs/dbraw/zinc/47/52/24/357475224.db2.gz OZHXXXKLLFUEFD-UTUOFQBUSA-N 3 1 209.337 0.137 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000188212892 357535055 /nfs/dbraw/zinc/53/50/55/357535055.db2.gz GWNBKTGWYADRMM-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CN1CCO[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000085790004 357622815 /nfs/dbraw/zinc/62/28/15/357622815.db2.gz JPAASPQQYYKKON-GFCCVEGCSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771986 491112618 /nfs/dbraw/zinc/11/26/18/491112618.db2.gz BQMXINTYXCUQRB-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709614 357647203 /nfs/dbraw/zinc/64/72/03/357647203.db2.gz BTIBEWUQCNQDFT-CKYFFXLPSA-N 2 1 244.404 0.925 20 0 BCADMP C[C@@H](CCO)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000397768987 357683321 /nfs/dbraw/zinc/68/33/21/357683321.db2.gz KJWBHORGWAMXBX-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CCO)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397768987 357683323 /nfs/dbraw/zinc/68/33/23/357683323.db2.gz KJWBHORGWAMXBX-YPMHNXCESA-N 2 1 244.379 0.440 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H](CO)COC)CC1 ZINC000233035373 357691997 /nfs/dbraw/zinc/69/19/97/357691997.db2.gz UXXHIOKJZIEJKU-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521951 491115288 /nfs/dbraw/zinc/11/52/88/491115288.db2.gz XXYPPZIWJBHLGY-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)C(C)C ZINC000086124506 357855102 /nfs/dbraw/zinc/85/51/02/357855102.db2.gz QIUUYAQFFRIEDP-NSHDSACASA-N 2 1 211.309 0.798 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000234835591 357833563 /nfs/dbraw/zinc/83/35/63/357833563.db2.gz OPBWRIFTZFXABY-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000234835591 357833568 /nfs/dbraw/zinc/83/35/68/357833568.db2.gz OPBWRIFTZFXABY-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP Cn1cncc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000085170760 134224813 /nfs/dbraw/zinc/22/48/13/134224813.db2.gz YJYOVYOSCPRSSZ-JTQLQIEISA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cncc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000085170760 134224814 /nfs/dbraw/zinc/22/48/14/134224814.db2.gz YJYOVYOSCPRSSZ-JTQLQIEISA-N 2 1 208.309 0.591 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399074927 357894522 /nfs/dbraw/zinc/89/45/22/357894522.db2.gz PGBXTAREBUBFHU-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP COC[C@@](C)(CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000639957653 357981885 /nfs/dbraw/zinc/98/18/85/357981885.db2.gz RIMIGPXGTWWCEI-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP COC[C@@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000639958098 357982220 /nfs/dbraw/zinc/98/22/20/357982220.db2.gz PEIHVBWVNWBONO-GFCCVEGCSA-N 2 1 241.335 0.340 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000584474992 357991231 /nfs/dbraw/zinc/99/12/31/357991231.db2.gz PRKGYIYDSLUGPG-QWRGUYRKSA-N 2 1 246.376 0.168 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530510 358042525 /nfs/dbraw/zinc/04/25/25/358042525.db2.gz VGTXYKHGHFRNFA-GFCCVEGCSA-N 3 1 241.379 0.283 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530510 358042530 /nfs/dbraw/zinc/04/25/30/358042530.db2.gz VGTXYKHGHFRNFA-GFCCVEGCSA-N 3 1 241.379 0.283 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000584533167 358042850 /nfs/dbraw/zinc/04/28/50/358042850.db2.gz SOPWICLELCBBSQ-LLVKDONJSA-N 2 1 249.362 0.753 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037469628 358070357 /nfs/dbraw/zinc/07/03/57/358070357.db2.gz IYSHRHUYVJSOPB-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037469628 358070358 /nfs/dbraw/zinc/07/03/58/358070358.db2.gz IYSHRHUYVJSOPB-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCOCC1 ZINC000037482602 358072986 /nfs/dbraw/zinc/07/29/86/358072986.db2.gz DEPIGBZYLFMURX-UHFFFAOYSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000169110801 134249204 /nfs/dbraw/zinc/24/92/04/134249204.db2.gz ZHTOUSYTAYNHJR-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037643512 358084891 /nfs/dbraw/zinc/08/48/91/358084891.db2.gz CYFGOKGRGHEJEJ-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810239 134250736 /nfs/dbraw/zinc/25/07/36/134250736.db2.gz MBDZZULCUKOODP-AXFHLTTASA-N 2 1 225.336 0.467 20 0 BCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000613659533 363599384 /nfs/dbraw/zinc/59/93/84/363599384.db2.gz ALSWVNOFCKPYCV-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000086068380 358209601 /nfs/dbraw/zinc/20/96/01/358209601.db2.gz UVGQOIGIFNNDDD-WDEREUQCSA-N 2 1 227.352 0.300 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226875023 358346847 /nfs/dbraw/zinc/34/68/47/358346847.db2.gz XBRAAYKMEQSXBP-RWMBFGLXSA-N 2 1 244.379 0.845 20 0 BCADMP Cc1ccc(O)c(C[N@H+](C)CCC[NH3+])n1 ZINC000227744177 358362794 /nfs/dbraw/zinc/36/27/94/358362794.db2.gz HIQHIIBITIQKTG-UHFFFAOYSA-N 2 1 209.293 0.876 20 0 BCADMP Cc1ccc(O)c(C[N@@H+](C)CCC[NH3+])n1 ZINC000227744177 358362796 /nfs/dbraw/zinc/36/27/96/358362796.db2.gz HIQHIIBITIQKTG-UHFFFAOYSA-N 2 1 209.293 0.876 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000227833435 358364553 /nfs/dbraw/zinc/36/45/53/358364553.db2.gz GOAQMIDBCPXMFT-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000228610306 358381492 /nfs/dbraw/zinc/38/14/92/358381492.db2.gz HMQSQMKLXQZWDF-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000173904034 134278367 /nfs/dbraw/zinc/27/83/67/134278367.db2.gz NWMKIBWOMQSEHO-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000044538743 358389649 /nfs/dbraw/zinc/38/96/49/358389649.db2.gz WPGGNRSQEOXZPR-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538935 358390616 /nfs/dbraw/zinc/39/06/16/358390616.db2.gz YRRBAEBKCVGKKH-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044539020 358391087 /nfs/dbraw/zinc/39/10/87/358391087.db2.gz CDQDPOUOPUUIKD-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CO[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991049 358421405 /nfs/dbraw/zinc/42/14/05/358421405.db2.gz CYVDYUQFNDELQS-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726823 358552807 /nfs/dbraw/zinc/55/28/07/358552807.db2.gz VIUWAHVYCOLJPD-ONGXEEELSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000086271922 358573735 /nfs/dbraw/zinc/57/37/35/358573735.db2.gz GFBFLVOYQARZMK-KOLCDFICSA-N 2 1 225.336 0.195 20 0 BCADMP CCCC[N@@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493647 358538640 /nfs/dbraw/zinc/53/86/40/358538640.db2.gz AOEYZLZDUAXRJB-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493647 358538646 /nfs/dbraw/zinc/53/86/46/358538646.db2.gz AOEYZLZDUAXRJB-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130648364 358638596 /nfs/dbraw/zinc/63/85/96/358638596.db2.gz QTUFZHMCGZZYGY-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130648364 358638598 /nfs/dbraw/zinc/63/85/98/358638598.db2.gz QTUFZHMCGZZYGY-XQQFMLRXSA-N 2 1 242.363 0.864 20 0 BCADMP CCNC(=O)[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129739024 358594789 /nfs/dbraw/zinc/59/47/89/358594789.db2.gz PYXVEKKEEIQLNR-OUAUKWLOSA-N 2 1 227.352 0.583 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000129739024 358594792 /nfs/dbraw/zinc/59/47/92/358594792.db2.gz PYXVEKKEEIQLNR-OUAUKWLOSA-N 2 1 227.352 0.583 20 0 BCADMP COCCOCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133304377 358750569 /nfs/dbraw/zinc/75/05/69/358750569.db2.gz GXLMESRXZJRBBR-GFCCVEGCSA-N 2 1 232.368 0.955 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566896 535434001 /nfs/dbraw/zinc/43/40/01/535434001.db2.gz DSGKKXPCLXYLOK-GFCCVEGCSA-N 2 1 227.352 0.526 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566896 535434005 /nfs/dbraw/zinc/43/40/05/535434005.db2.gz DSGKKXPCLXYLOK-GFCCVEGCSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCCO ZINC000134725174 358803840 /nfs/dbraw/zinc/80/38/40/358803840.db2.gz HJWWAFUBFJRFOT-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134871853 358809312 /nfs/dbraw/zinc/80/93/12/358809312.db2.gz HBLRCYCVDMDGMP-AAEUAGOBSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000135312830 358830487 /nfs/dbraw/zinc/83/04/87/358830487.db2.gz JHOWHZJEFBPWOB-LOWDOPEQSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000135312830 358830489 /nfs/dbraw/zinc/83/04/89/358830489.db2.gz JHOWHZJEFBPWOB-LOWDOPEQSA-N 2 1 240.347 0.617 20 0 BCADMP COC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057323 134296991 /nfs/dbraw/zinc/29/69/91/134296991.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057323 134296992 /nfs/dbraw/zinc/29/69/92/134296992.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057323 134296993 /nfs/dbraw/zinc/29/69/93/134296993.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057323 134296994 /nfs/dbraw/zinc/29/69/94/134296994.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nncn1C ZINC000086403012 358967407 /nfs/dbraw/zinc/96/74/07/358967407.db2.gz GDKLXWJGJDFOQN-GUBZILKMSA-N 2 1 223.324 0.736 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931329 358921453 /nfs/dbraw/zinc/92/14/53/358921453.db2.gz JDVYZIMSOMSAJR-LLVKDONJSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C1CCOCC1 ZINC000086435416 358976740 /nfs/dbraw/zinc/97/67/40/358976740.db2.gz ZFMUXPCGEBWXAY-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433056 358946705 /nfs/dbraw/zinc/94/67/05/358946705.db2.gz YJRDYOPIXZDDFC-VHSXEESVSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070315526 359049410 /nfs/dbraw/zinc/04/94/10/359049410.db2.gz CYCUXMXHVSZRAI-SDDRHHMPSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070315524 359049885 /nfs/dbraw/zinc/04/98/85/359049885.db2.gz CYCUXMXHVSZRAI-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+][C@@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000071198958 359073311 /nfs/dbraw/zinc/07/33/11/359073311.db2.gz NVRITTPXJKLSDH-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP CNC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000072982113 359094035 /nfs/dbraw/zinc/09/40/35/359094035.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP Cc1c[nH+]ccc1N1CCC[N@@H+](CCO)CC1 ZINC000070489807 359057688 /nfs/dbraw/zinc/05/76/88/359057688.db2.gz UBHDZDCEDDTBNN-UHFFFAOYSA-N 2 1 235.331 0.894 20 0 BCADMP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+](C)C ZINC000564345867 325446451 /nfs/dbraw/zinc/44/64/51/325446451.db2.gz CYPSEEWSOHDJOG-LLVKDONJSA-N 2 1 241.379 0.642 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000086700894 359355637 /nfs/dbraw/zinc/35/56/37/359355637.db2.gz WIENUDPNSHBSDI-MRVPVSSYSA-N 2 1 200.282 0.137 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623441330 359333423 /nfs/dbraw/zinc/33/34/23/359333423.db2.gz NLHUYHXBVYFOCW-GHMZBOCLSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623441330 359333427 /nfs/dbraw/zinc/33/34/27/359333427.db2.gz NLHUYHXBVYFOCW-GHMZBOCLSA-N 2 1 241.379 0.926 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH2+]C ZINC000423768646 192833321 /nfs/dbraw/zinc/83/33/21/192833321.db2.gz FLXWNVJBUWPWDV-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP C[C@H]([NH2+]CCOC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000578518517 366587325 /nfs/dbraw/zinc/58/73/25/366587325.db2.gz OCOGNYCFQGKWKC-AVGNSLFASA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091211 359937492 /nfs/dbraw/zinc/93/74/92/359937492.db2.gz ZCHJCGYUQQDBTN-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662303 360122137 /nfs/dbraw/zinc/12/21/37/360122137.db2.gz GHJNSRFACDLRMX-UPJWGTAASA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662303 360122141 /nfs/dbraw/zinc/12/21/41/360122141.db2.gz GHJNSRFACDLRMX-UPJWGTAASA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000094447092 360308088 /nfs/dbraw/zinc/30/80/88/360308088.db2.gz JEDOTZQUTDJMHG-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000306588949 360494589 /nfs/dbraw/zinc/49/45/89/360494589.db2.gz WGPXBAIVRMIXDW-NAKRPEOUSA-N 2 1 200.326 0.672 20 0 BCADMP CCN(CC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000626950555 360529637 /nfs/dbraw/zinc/52/96/37/360529637.db2.gz URXUARBYGQDBQG-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP CN(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155773811 360919179 /nfs/dbraw/zinc/91/91/79/360919179.db2.gz QZXGXEBDDLRJKD-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155773811 360919181 /nfs/dbraw/zinc/91/91/81/360919181.db2.gz QZXGXEBDDLRJKD-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629400440 361051621 /nfs/dbraw/zinc/05/16/21/361051621.db2.gz XWUZGTXQESRURT-QWHCGFSZSA-N 3 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629400440 361051626 /nfs/dbraw/zinc/05/16/26/361051626.db2.gz XWUZGTXQESRURT-QWHCGFSZSA-N 2 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629400440 361051629 /nfs/dbraw/zinc/05/16/29/361051629.db2.gz XWUZGTXQESRURT-QWHCGFSZSA-N 2 1 241.379 0.568 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@@H+]1C ZINC000629518874 361118984 /nfs/dbraw/zinc/11/89/84/361118984.db2.gz MOMQOJJWXBHRNB-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+]1C ZINC000629518874 361118987 /nfs/dbraw/zinc/11/89/87/361118987.db2.gz MOMQOJJWXBHRNB-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP COC[C@@]1(C)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629508317 361101956 /nfs/dbraw/zinc/10/19/56/361101956.db2.gz YUQPHUTZJUPUSW-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CCOC1CCOCC1)C1CC[NH2+]CC1 ZINC000629509094 361103308 /nfs/dbraw/zinc/10/33/08/361103308.db2.gz IWQZLYACJRMPPH-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccnc1N ZINC000629516502 361113824 /nfs/dbraw/zinc/11/38/24/361113824.db2.gz ILZYWBZVCGVBII-VHSXEESVSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000629516542 361115487 /nfs/dbraw/zinc/11/54/87/361115487.db2.gz JUOJRSAUIYVFKN-NEPJUHHUSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000629527808 361134156 /nfs/dbraw/zinc/13/41/56/361134156.db2.gz GTMFBGSKBZUBSD-GRYCIOLGSA-N 3 1 229.368 0.470 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528918 361138233 /nfs/dbraw/zinc/13/82/33/361138233.db2.gz MYTDZTBYENLHDG-OLZOCXBDSA-N 3 1 243.395 0.542 20 0 BCADMP CCN1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528918 361138237 /nfs/dbraw/zinc/13/82/37/361138237.db2.gz MYTDZTBYENLHDG-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@H]1CCC[NH2+]1 ZINC000629532428 361152813 /nfs/dbraw/zinc/15/28/13/361152813.db2.gz AOHXBFCWRAPGBI-QJPTWQEYSA-N 2 1 227.352 0.047 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532623 361153545 /nfs/dbraw/zinc/15/35/45/361153545.db2.gz KDAJVOSNJMKJHV-AGIUHOORSA-N 2 1 241.379 0.437 20 0 BCADMP O[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613208450 361227721 /nfs/dbraw/zinc/22/77/21/361227721.db2.gz BBQYVGNVSJHSCF-ZNMIVQPWSA-N 2 1 246.354 0.741 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481065 361264749 /nfs/dbraw/zinc/26/47/49/361264749.db2.gz KLZMHOKKTZDNNZ-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640481065 361264751 /nfs/dbraw/zinc/26/47/51/361264751.db2.gz KLZMHOKKTZDNNZ-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267487 /nfs/dbraw/zinc/26/74/87/361267487.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 2 1 210.321 0.537 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267489 /nfs/dbraw/zinc/26/74/89/361267489.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 2 1 210.321 0.537 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267494 /nfs/dbraw/zinc/26/74/94/361267494.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 2 1 210.321 0.537 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428195260 201002454 /nfs/dbraw/zinc/00/24/54/201002454.db2.gz HNJAUJLZAJBEEV-OUAUKWLOSA-N 2 1 225.336 0.337 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413212 201014121 /nfs/dbraw/zinc/01/41/21/201014121.db2.gz OLXDFAMDUHJNFW-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000428419843 201016609 /nfs/dbraw/zinc/01/66/09/201016609.db2.gz GEJXBEXOVDJVRG-SNVBAGLBSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H](F)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000579228314 366738017 /nfs/dbraw/zinc/73/80/17/366738017.db2.gz ICFLAYYTLVOZOI-KOLCDFICSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@@H](F)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000579228314 366738022 /nfs/dbraw/zinc/73/80/22/366738022.db2.gz ICFLAYYTLVOZOI-KOLCDFICSA-N 2 1 218.316 0.779 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428618850 201029620 /nfs/dbraw/zinc/02/96/20/201029620.db2.gz CHZQLWOSSNITNN-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250839057 181329791 /nfs/dbraw/zinc/32/97/91/181329791.db2.gz LNMUOQDCBUWIJD-VHSXEESVSA-N 2 1 223.320 0.221 20 0 BCADMP CCC[N@H+](CCn1cc[nH+]c1C)CC(N)=O ZINC000429124675 201071815 /nfs/dbraw/zinc/07/18/15/201071815.db2.gz BFLHLNVPZHTGQZ-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC(N)=O ZINC000429124675 201071818 /nfs/dbraw/zinc/07/18/18/201071818.db2.gz BFLHLNVPZHTGQZ-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000614332212 363786815 /nfs/dbraw/zinc/78/68/15/363786815.db2.gz URHJKNGZAUWTNR-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429189620 201078092 /nfs/dbraw/zinc/07/80/92/201078092.db2.gz CLKJHOKHHVAMDN-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CNC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539410 201111526 /nfs/dbraw/zinc/11/15/26/201111526.db2.gz KXRWZXFFUKDPCN-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000629537479 361401288 /nfs/dbraw/zinc/40/12/88/361401288.db2.gz JMNVULKAWTYSAS-WDEREUQCSA-N 3 1 215.341 0.082 20 0 BCADMP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])no1 ZINC000629535587 361410396 /nfs/dbraw/zinc/41/03/96/361410396.db2.gz CVCTZVURGPLUHL-JTQLQIEISA-N 2 1 227.308 0.999 20 0 BCADMP CC1(C)CC(C[N@@H+](CCN)C[C@@H](O)CO)C1 ZINC000629543438 361411987 /nfs/dbraw/zinc/41/19/87/361411987.db2.gz BMMMXRPWNSRDIL-LLVKDONJSA-N 2 1 230.352 0.037 20 0 BCADMP CC[C@@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629544598 361423519 /nfs/dbraw/zinc/42/35/19/361423519.db2.gz JNRCVCYLOYHUKT-UPJWGTAASA-N 2 1 241.379 0.173 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000629555061 361435188 /nfs/dbraw/zinc/43/51/88/361435188.db2.gz QTZFGUMLBZWQTJ-NNYUYHANSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556391 361450269 /nfs/dbraw/zinc/45/02/69/361450269.db2.gz OXUHRYAHHXSKNE-RWMBFGLXSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556391 361450271 /nfs/dbraw/zinc/45/02/71/361450271.db2.gz OXUHRYAHHXSKNE-RWMBFGLXSA-N 2 1 241.379 0.031 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430951128 201158576 /nfs/dbraw/zinc/15/85/76/201158576.db2.gz UGFTWLCLTRHEKT-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430951128 201158577 /nfs/dbraw/zinc/15/85/77/201158577.db2.gz UGFTWLCLTRHEKT-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)no1 ZINC000629571065 361460814 /nfs/dbraw/zinc/46/08/14/361460814.db2.gz PGZMSGRVIGWUIV-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)no1 ZINC000629571065 361460817 /nfs/dbraw/zinc/46/08/17/361460817.db2.gz PGZMSGRVIGWUIV-UHFFFAOYSA-N 2 1 227.308 0.651 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC000629578191 361464805 /nfs/dbraw/zinc/46/48/05/361464805.db2.gz OCIFIPMBTRAYKT-LBPRGKRZSA-N 3 1 229.368 0.283 20 0 BCADMP Cc1cc(C[N@H+](C)CCOCC[NH3+])nc(C)n1 ZINC000629580733 361469755 /nfs/dbraw/zinc/46/97/55/361469755.db2.gz FYBKASYFFIOXQB-UHFFFAOYSA-N 2 1 238.335 0.501 20 0 BCADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])nc(C)n1 ZINC000629580733 361469758 /nfs/dbraw/zinc/46/97/58/361469758.db2.gz FYBKASYFFIOXQB-UHFFFAOYSA-N 2 1 238.335 0.501 20 0 BCADMP Cc1nocc1C[N@H+](C)CCOCC[NH3+] ZINC000629581016 361470654 /nfs/dbraw/zinc/47/06/54/361470654.db2.gz KBGQDYLGSZVELK-UHFFFAOYSA-N 2 1 213.281 0.390 20 0 BCADMP Cc1nocc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581016 361470655 /nfs/dbraw/zinc/47/06/55/361470655.db2.gz KBGQDYLGSZVELK-UHFFFAOYSA-N 2 1 213.281 0.390 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000629581577 361472237 /nfs/dbraw/zinc/47/22/37/361472237.db2.gz CZQGWTVVRARIQL-UTUOFQBUSA-N 2 1 237.347 0.339 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629584880 361473602 /nfs/dbraw/zinc/47/36/02/361473602.db2.gz FLGQZYBJHDIQAC-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629584880 361473609 /nfs/dbraw/zinc/47/36/09/361473609.db2.gz FLGQZYBJHDIQAC-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCn1cncn1)C2 ZINC000629585260 361474450 /nfs/dbraw/zinc/47/44/50/361474450.db2.gz OVHSUAZUGCNKAH-TXEJJXNPSA-N 2 1 235.335 0.210 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000629585260 361474452 /nfs/dbraw/zinc/47/44/52/361474452.db2.gz OVHSUAZUGCNKAH-TXEJJXNPSA-N 2 1 235.335 0.210 20 0 BCADMP CC[C@@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000629612149 361502919 /nfs/dbraw/zinc/50/29/19/361502919.db2.gz VHXDWEPMHPMALX-ZETCQYMHSA-N 2 1 223.267 0.037 20 0 BCADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H](O)C[NH3+] ZINC000629648024 361539673 /nfs/dbraw/zinc/53/96/73/361539673.db2.gz FFCCZBCSCCEWBG-ZDUSSCGKSA-N 2 1 248.326 0.714 20 0 BCADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H](O)C[NH3+] ZINC000629648024 361539677 /nfs/dbraw/zinc/53/96/77/361539677.db2.gz FFCCZBCSCCEWBG-ZDUSSCGKSA-N 2 1 248.326 0.714 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]Cc2cncnc2)CC1 ZINC000309957326 491158928 /nfs/dbraw/zinc/15/89/28/491158928.db2.gz JAIRRKUUOUWNHJ-UHFFFAOYSA-N 2 1 218.304 0.828 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CC1(C)CC1 ZINC000629653199 361552904 /nfs/dbraw/zinc/55/29/04/361552904.db2.gz IAGFNLJZZRDQGD-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP [NH3+]C1(C[NH2+]CC2(F)CC2)CCOCC1 ZINC000629653316 361553583 /nfs/dbraw/zinc/55/35/83/361553583.db2.gz FSZQUYLBMASAQH-UHFFFAOYSA-N 2 1 202.273 0.586 20 0 BCADMP CCc1nn(C)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629661087 361594204 /nfs/dbraw/zinc/59/42/04/361594204.db2.gz BEYAHCGFNRBKFG-UHFFFAOYSA-N 2 1 240.351 0.390 20 0 BCADMP COC1(C[N@@H+](C)CCOCC[NH3+])CCCC1 ZINC000629662073 361594834 /nfs/dbraw/zinc/59/48/34/361594834.db2.gz CMVBEYJIGYMGII-UHFFFAOYSA-N 2 1 230.352 0.853 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCSC1 ZINC000629662045 361594936 /nfs/dbraw/zinc/59/49/36/361594936.db2.gz CJFKCYISADYVBJ-JTQLQIEISA-N 2 1 218.366 0.647 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241239 201256519 /nfs/dbraw/zinc/25/65/19/201256519.db2.gz SRMQPKNMVFHMRC-GFCCVEGCSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]C1CCC(NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000051694773 181341764 /nfs/dbraw/zinc/34/17/64/181341764.db2.gz SNDWANXZBCPDSE-AMDVSUOASA-N 2 1 229.349 0.035 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000435879890 201292422 /nfs/dbraw/zinc/29/24/22/201292422.db2.gz GCFXFLPIMPYKHZ-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCCN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000435879890 201292424 /nfs/dbraw/zinc/29/24/24/201292424.db2.gz GCFXFLPIMPYKHZ-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435873173 201292742 /nfs/dbraw/zinc/29/27/42/201292742.db2.gz UDSNDKBOQOIIJO-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CCC(=O)N[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435873173 201292746 /nfs/dbraw/zinc/29/27/46/201292746.db2.gz UDSNDKBOQOIIJO-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000435871366 201293227 /nfs/dbraw/zinc/29/32/27/201293227.db2.gz JSWANKJBAKGVCG-UHFFFAOYSA-N 2 1 249.362 0.598 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000435871366 201293230 /nfs/dbraw/zinc/29/32/30/201293230.db2.gz JSWANKJBAKGVCG-UHFFFAOYSA-N 2 1 249.362 0.598 20 0 BCADMP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C ZINC000435886401 201295302 /nfs/dbraw/zinc/29/53/02/201295302.db2.gz WVVPUHYUHKCKGF-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435886401 201295304 /nfs/dbraw/zinc/29/53/04/201295304.db2.gz WVVPUHYUHKCKGF-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822786 201352683 /nfs/dbraw/zinc/35/26/83/201352683.db2.gz NTRFOANFQOITMM-SDDRHHMPSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946157 364090689 /nfs/dbraw/zinc/09/06/89/364090689.db2.gz HAGHQLUWJOSNLK-LLVKDONJSA-N 2 1 227.352 0.714 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000372419815 181358348 /nfs/dbraw/zinc/35/83/48/181358348.db2.gz DYMNQLPZQXIQRP-MRVPVSSYSA-N 2 1 247.289 0.086 20 0 BCADMP CN(C)c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc[nH+]1 ZINC000630553572 364249598 /nfs/dbraw/zinc/24/95/98/364249598.db2.gz KKKTXJIXFRXMNF-IUCAKERBSA-N 2 1 219.292 0.093 20 0 BCADMP C[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951106 364279122 /nfs/dbraw/zinc/27/91/22/364279122.db2.gz CALNDIXVCQKWJW-XKGSQUFQSA-N 3 1 211.353 0.986 20 0 BCADMP COC[C@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000630586042 364293606 /nfs/dbraw/zinc/29/36/06/364293606.db2.gz JUYYSRCTVMPSFZ-SECBINFHSA-N 2 1 233.275 0.179 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC000579512084 366841833 /nfs/dbraw/zinc/84/18/33/366841833.db2.gz OXBZWHVWEWNKMK-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC000579512084 366841837 /nfs/dbraw/zinc/84/18/37/366841837.db2.gz OXBZWHVWEWNKMK-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC000579512084 366841840 /nfs/dbraw/zinc/84/18/40/366841840.db2.gz OXBZWHVWEWNKMK-TUAOUCFPSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000615309114 364683932 /nfs/dbraw/zinc/68/39/32/364683932.db2.gz QJQISWSHBAUOTO-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000573501380 364848530 /nfs/dbraw/zinc/84/85/30/364848530.db2.gz JFPHSSHZBKKZEU-BDAKNGLRSA-N 2 1 249.305 0.556 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]CCc1c[nH+]cn1C ZINC000573428871 364829739 /nfs/dbraw/zinc/82/97/39/364829739.db2.gz UOOOEKRZWASGMD-NSHDSACASA-N 2 1 248.334 0.623 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000573445404 364834904 /nfs/dbraw/zinc/83/49/04/364834904.db2.gz VEIBTKZVHDWSEP-OLZOCXBDSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445407 364835438 /nfs/dbraw/zinc/83/54/38/364835438.db2.gz VEIBTKZVHDWSEP-STQMWFEESA-N 3 1 225.380 0.917 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000573584107 364869169 /nfs/dbraw/zinc/86/91/69/364869169.db2.gz VPEXGZUWAGNDDU-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP [NH3+]CCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812738 181371400 /nfs/dbraw/zinc/37/14/00/181371400.db2.gz YFKNVVMKMRKVHX-LLVKDONJSA-N 2 1 225.336 0.422 20 0 BCADMP C[NH2+][C@@H](C)C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000573696893 364896819 /nfs/dbraw/zinc/89/68/19/364896819.db2.gz MHXOTTZHSSPWGH-VIFPVBQESA-N 2 1 245.286 0.814 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000154387031 541417373 /nfs/dbraw/zinc/41/73/73/541417373.db2.gz FAXPTYBCOPHMQV-AAEUAGOBSA-N 3 1 243.395 0.229 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000573924131 364941451 /nfs/dbraw/zinc/94/14/51/364941451.db2.gz RGNPMSBCKRVFIL-QWRGUYRKSA-N 2 1 227.352 0.300 20 0 BCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038397 364972888 /nfs/dbraw/zinc/97/28/88/364972888.db2.gz COGYRUHUXBZZOV-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCC(NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000574049701 364976923 /nfs/dbraw/zinc/97/69/23/364976923.db2.gz OEMINJFZULVOKJ-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N(C)C ZINC000168986415 365048377 /nfs/dbraw/zinc/04/83/77/365048377.db2.gz BSCIRPNBNUPIBX-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N(C)C ZINC000168986497 365048685 /nfs/dbraw/zinc/04/86/85/365048685.db2.gz BSCIRPNBNUPIBX-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)(O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000574530885 365085083 /nfs/dbraw/zinc/08/50/83/365085083.db2.gz GWQGDJWSOTURKW-UHFFFAOYSA-N 2 1 212.337 0.961 20 0 BCADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000574876538 365157052 /nfs/dbraw/zinc/15/70/52/365157052.db2.gz ASJKYMFFXDADNC-NWDGAFQWSA-N 2 1 232.368 0.296 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000444167308 193039926 /nfs/dbraw/zinc/03/99/26/193039926.db2.gz LMRRWFBRNSNWKV-HBNTYKKESA-N 2 1 223.320 0.091 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000444180230 193039979 /nfs/dbraw/zinc/03/99/79/193039979.db2.gz HDBWDEWVJIQZOX-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181825 193040007 /nfs/dbraw/zinc/04/00/07/193040007.db2.gz JXKRIXUMVLIWNC-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000444180229 193040623 /nfs/dbraw/zinc/04/06/23/193040623.db2.gz HDBWDEWVJIQZOX-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444273298 193042759 /nfs/dbraw/zinc/04/27/59/193042759.db2.gz MTVYUVYVZSLXFC-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444270439 193043704 /nfs/dbraw/zinc/04/37/04/193043704.db2.gz QQGFWJYNKZGCGK-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000575194470 365237043 /nfs/dbraw/zinc/23/70/43/365237043.db2.gz IRENFVKOLISRQS-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000575194470 365237048 /nfs/dbraw/zinc/23/70/48/365237048.db2.gz IRENFVKOLISRQS-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000575194470 365237054 /nfs/dbraw/zinc/23/70/54/365237054.db2.gz IRENFVKOLISRQS-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312993 365285599 /nfs/dbraw/zinc/28/55/99/365285599.db2.gz RDIPTFSMVHCITG-CYBMUJFWSA-N 3 1 225.380 0.917 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575917325 365411978 /nfs/dbraw/zinc/41/19/78/365411978.db2.gz UYPWFQBEWVJSCJ-OUAUKWLOSA-N 2 1 232.393 0.783 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000575916362 365412171 /nfs/dbraw/zinc/41/21/71/365412171.db2.gz DVJQYVFIIZLJGA-SDDRHHMPSA-N 2 1 241.379 0.641 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575917323 365412324 /nfs/dbraw/zinc/41/23/24/365412324.db2.gz UYPWFQBEWVJSCJ-GMTAPVOTSA-N 2 1 232.393 0.783 20 0 BCADMP NC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000576052907 365466012 /nfs/dbraw/zinc/46/60/12/365466012.db2.gz ZBDOGDHHWYRHAW-UHFFFAOYSA-N 2 1 247.342 0.971 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[C@H](C)[NH3+] ZINC000579709845 366980009 /nfs/dbraw/zinc/98/00/09/366980009.db2.gz KAVGVNHHIWDKRC-WCABBAIRSA-N 2 1 231.315 0.130 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000579852012 367051668 /nfs/dbraw/zinc/05/16/68/367051668.db2.gz YSNPTVRKECTJLT-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579853766 367053525 /nfs/dbraw/zinc/05/35/25/367053525.db2.gz AKSXQTHWIKMLKA-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000579859240 367056090 /nfs/dbraw/zinc/05/60/90/367056090.db2.gz LQGMPVRQMFQSAF-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1OCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000380493563 367224305 /nfs/dbraw/zinc/22/43/05/367224305.db2.gz BLWRMANSKIUWDX-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580956781 367217045 /nfs/dbraw/zinc/21/70/45/367217045.db2.gz FYFKJKVFKMCOMZ-WZRBSPASSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H]1OCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000380547755 367237986 /nfs/dbraw/zinc/23/79/86/367237986.db2.gz XTSFRDXPGWYJQW-UWVGGRQHSA-N 2 1 202.298 0.071 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309961 367337981 /nfs/dbraw/zinc/33/79/81/367337981.db2.gz AIDILBIFBIOVTJ-AVGNSLFASA-N 3 1 225.380 0.916 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](O)[C@@H](C)C1 ZINC000381084339 367348932 /nfs/dbraw/zinc/34/89/32/367348932.db2.gz SIJGZIDUHOKPNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](C)C1 ZINC000381084339 367348934 /nfs/dbraw/zinc/34/89/34/367348934.db2.gz SIJGZIDUHOKPNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](C)C1 ZINC000381084339 367348938 /nfs/dbraw/zinc/34/89/38/367348938.db2.gz SIJGZIDUHOKPNS-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](COC)C(C)C ZINC000380972319 367327660 /nfs/dbraw/zinc/32/76/60/367327660.db2.gz ATPJGMXCCCHBCY-RYUDHWBXSA-N 2 1 232.368 0.560 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](COC)C(C)C ZINC000380972319 367327665 /nfs/dbraw/zinc/32/76/65/367327665.db2.gz ATPJGMXCCCHBCY-RYUDHWBXSA-N 2 1 232.368 0.560 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381215491 367364196 /nfs/dbraw/zinc/36/41/96/367364196.db2.gz FTKLRXANHPHARI-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000382925341 367568415 /nfs/dbraw/zinc/56/84/15/367568415.db2.gz DFWFGVXOGRFYDN-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000383141375 367600538 /nfs/dbraw/zinc/60/05/38/367600538.db2.gz JXOAGOQXEVHOCN-MWLCHTKSSA-N 2 1 237.347 0.480 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000383487958 367627565 /nfs/dbraw/zinc/62/75/65/367627565.db2.gz AHLJBIZXAAUJLM-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CCCO1)C1CC1 ZINC000383487958 367627569 /nfs/dbraw/zinc/62/75/69/367627569.db2.gz AHLJBIZXAAUJLM-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)CCOC ZINC000383637705 367645719 /nfs/dbraw/zinc/64/57/19/367645719.db2.gz YRDODQJIJJLMCZ-NSHDSACASA-N 2 1 241.335 0.385 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)CCOC ZINC000383637705 367645724 /nfs/dbraw/zinc/64/57/24/367645724.db2.gz YRDODQJIJJLMCZ-NSHDSACASA-N 2 1 241.335 0.385 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383644573 367646825 /nfs/dbraw/zinc/64/68/25/367646825.db2.gz CDKUAMJBUBDWQD-WCQYABFASA-N 2 1 243.395 0.371 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000383679954 367649359 /nfs/dbraw/zinc/64/93/59/367649359.db2.gz QMTLHARXRNLIQU-AAEUAGOBSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000383758630 367651783 /nfs/dbraw/zinc/65/17/83/367651783.db2.gz LBTZIQDIQYUVQZ-WZRBSPASSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000383758630 367651788 /nfs/dbraw/zinc/65/17/88/367651788.db2.gz LBTZIQDIQYUVQZ-WZRBSPASSA-N 2 1 242.363 0.599 20 0 BCADMP Cc1nc[nH]c1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000581675869 367704335 /nfs/dbraw/zinc/70/43/35/367704335.db2.gz GXHRLGHNYOXASY-SECBINFHSA-N 2 1 236.319 0.676 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000384040517 367669151 /nfs/dbraw/zinc/66/91/51/367669151.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 1 246.395 0.903 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1CCOCC1)C1CC1 ZINC000384029636 367669542 /nfs/dbraw/zinc/66/95/42/367669542.db2.gz LHLMXADTLYQRCI-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCOCC1 ZINC000384029636 367669547 /nfs/dbraw/zinc/66/95/47/367669547.db2.gz LHLMXADTLYQRCI-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCOCC1 ZINC000384029636 367669553 /nfs/dbraw/zinc/66/95/53/367669553.db2.gz LHLMXADTLYQRCI-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCOCC1)C1CC1 ZINC000384029636 367669558 /nfs/dbraw/zinc/66/95/58/367669558.db2.gz LHLMXADTLYQRCI-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCOCC1)C1CC1 ZINC000384029636 367669563 /nfs/dbraw/zinc/66/95/63/367669563.db2.gz LHLMXADTLYQRCI-ZDUSSCGKSA-N 2 1 242.363 0.552 20 0 BCADMP C[C@@H](CCCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384445048 367691675 /nfs/dbraw/zinc/69/16/75/367691675.db2.gz ZFPQGJQAIUFBLR-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CCCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384445048 367691677 /nfs/dbraw/zinc/69/16/77/367691677.db2.gz ZFPQGJQAIUFBLR-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000384742964 367724882 /nfs/dbraw/zinc/72/48/82/367724882.db2.gz GRDFLUKDOXWYNL-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP Nc1cc[nH+]cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000581727273 367792251 /nfs/dbraw/zinc/79/22/51/367792251.db2.gz WPENSJMDHAFNFE-UHFFFAOYSA-N 2 1 246.314 0.414 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCO1 ZINC000385384371 367824610 /nfs/dbraw/zinc/82/46/10/367824610.db2.gz PLNFRGYKKWABRX-WOPDTQHZSA-N 2 1 210.321 0.849 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCO1 ZINC000385384371 367824616 /nfs/dbraw/zinc/82/46/16/367824616.db2.gz PLNFRGYKKWABRX-WOPDTQHZSA-N 2 1 210.321 0.849 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386094807 367911467 /nfs/dbraw/zinc/91/14/67/367911467.db2.gz ISMGDEBDQAKIJV-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000386891221 368030925 /nfs/dbraw/zinc/03/09/25/368030925.db2.gz KFSJDJQZKRXYSL-RTWBTXMESA-N 2 1 212.337 0.971 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000566405113 326040024 /nfs/dbraw/zinc/04/00/24/326040024.db2.gz VORUSMIUYZDBLQ-MRVPVSSYSA-N 2 1 235.278 0.086 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000566716911 326076416 /nfs/dbraw/zinc/07/64/16/326076416.db2.gz PZHVXPAGQQSXCB-OLZOCXBDSA-N 2 1 243.395 0.183 20 0 BCADMP CN(C[C@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104544 326116702 /nfs/dbraw/zinc/11/67/02/326116702.db2.gz SVAJORCDFNNWQE-UTUOFQBUSA-N 2 1 230.327 0.922 20 0 BCADMP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404158 368880284 /nfs/dbraw/zinc/88/02/84/368880284.db2.gz KDKDMLXJPYVIHF-VHSXEESVSA-N 2 1 208.309 0.780 20 0 BCADMP COC(=O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000086700636 368883484 /nfs/dbraw/zinc/88/34/84/368883484.db2.gz BCKMRCDFHYMKOH-UHFFFAOYSA-N 2 1 214.309 0.527 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821241 368971994 /nfs/dbraw/zinc/97/19/94/368971994.db2.gz SHMFTEVLSJMPPA-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821241 368972001 /nfs/dbraw/zinc/97/20/01/368972001.db2.gz SHMFTEVLSJMPPA-ZYHUDNBSSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821240 368972251 /nfs/dbraw/zinc/97/22/51/368972251.db2.gz SHMFTEVLSJMPPA-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821240 368972256 /nfs/dbraw/zinc/97/22/56/368972256.db2.gz SHMFTEVLSJMPPA-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000631822179 368975970 /nfs/dbraw/zinc/97/59/70/368975970.db2.gz VGJRWNVWSBZPBZ-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP CCn1ncnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000088602789 368919947 /nfs/dbraw/zinc/91/99/47/368919947.db2.gz UZIYBOIVZIQWTK-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP CCn1ncnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000088602789 368919956 /nfs/dbraw/zinc/91/99/56/368919956.db2.gz UZIYBOIVZIQWTK-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000631828580 369004073 /nfs/dbraw/zinc/00/40/73/369004073.db2.gz SICNYBJPRJEEGA-SNVBAGLBSA-N 2 1 223.324 0.307 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631828579 369004800 /nfs/dbraw/zinc/00/48/00/369004800.db2.gz SICNYBJPRJEEGA-JTQLQIEISA-N 2 1 223.324 0.307 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825298 368988399 /nfs/dbraw/zinc/98/83/99/368988399.db2.gz DZPRXPICUOHDDU-NEPJUHHUSA-N 2 1 249.362 0.826 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825299 368988408 /nfs/dbraw/zinc/98/84/08/368988408.db2.gz DZPRXPICUOHDDU-NWDGAFQWSA-N 2 1 249.362 0.826 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567822345 326263497 /nfs/dbraw/zinc/26/34/97/326263497.db2.gz NRLOOUXGFIIHGB-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000620321929 369834210 /nfs/dbraw/zinc/83/42/10/369834210.db2.gz ZLGVMLJDINYZTB-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000568148190 326312827 /nfs/dbraw/zinc/31/28/27/326312827.db2.gz MSOAYGSQFQHMAF-MRVPVSSYSA-N 2 1 237.294 0.460 20 0 BCADMP CC[C@H]1C[N@@H+](CCCC(=O)OC)CC[C@H]1[NH3+] ZINC000251905284 369981897 /nfs/dbraw/zinc/98/18/97/369981897.db2.gz XFVUEFFJHRIPDN-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000621152891 370125852 /nfs/dbraw/zinc/12/58/52/370125852.db2.gz GZOMLWGFISPBMJ-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000621152890 370126117 /nfs/dbraw/zinc/12/61/17/370126117.db2.gz GZOMLWGFISPBMJ-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568184965 326322673 /nfs/dbraw/zinc/32/26/73/326322673.db2.gz OOUAAOFWUNKPAV-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171637 370155981 /nfs/dbraw/zinc/15/59/81/370155981.db2.gz JADMSRAGWPDHEP-PWSUYJOCSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309833360 370259478 /nfs/dbraw/zinc/25/94/78/370259478.db2.gz ZFPMKYQWZAJWRZ-WDEREUQCSA-N 3 1 215.341 0.021 20 0 BCADMP CCn1cc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000621774409 370519939 /nfs/dbraw/zinc/51/99/39/370519939.db2.gz SRCSGNXZKCISJH-NSHDSACASA-N 2 1 222.336 0.726 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785014 370537186 /nfs/dbraw/zinc/53/71/86/370537186.db2.gz XSVQCGNSSZLQOO-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785014 370537190 /nfs/dbraw/zinc/53/71/90/370537190.db2.gz XSVQCGNSSZLQOO-ZYHUDNBSSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785013 370537763 /nfs/dbraw/zinc/53/77/63/370537763.db2.gz XSVQCGNSSZLQOO-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785013 370537766 /nfs/dbraw/zinc/53/77/66/370537766.db2.gz XSVQCGNSSZLQOO-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP CCn1cc(CC[N@@H+](C)CCC[NH2+]C)cn1 ZINC000621776585 370525417 /nfs/dbraw/zinc/52/54/17/370525417.db2.gz PMFZTZDOIHCKOO-UHFFFAOYSA-N 2 1 224.352 0.987 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777483 370526860 /nfs/dbraw/zinc/52/68/60/370526860.db2.gz CYFWDHPMYWEGFW-OLZOCXBDSA-N 3 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777483 370526863 /nfs/dbraw/zinc/52/68/63/370526863.db2.gz CYFWDHPMYWEGFW-OLZOCXBDSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777483 370526868 /nfs/dbraw/zinc/52/68/68/370526868.db2.gz CYFWDHPMYWEGFW-OLZOCXBDSA-N 2 1 223.364 0.799 20 0 BCADMP Cc1cccc(N2CCCO[C@H](C[NH3+])C2)[nH+]1 ZINC000313388863 370583758 /nfs/dbraw/zinc/58/37/58/370583758.db2.gz TWVUNHOJIBTXPP-LLVKDONJSA-N 2 1 221.304 0.944 20 0 BCADMP Cn1cc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000313838841 370612230 /nfs/dbraw/zinc/61/22/30/370612230.db2.gz AEMUUEGUMAQGGV-BETUJISGSA-N 2 1 234.347 0.504 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000163419540 326401650 /nfs/dbraw/zinc/40/16/50/326401650.db2.gz PGSRAXIWUXSQMS-GHMZBOCLSA-N 2 1 223.320 0.941 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120195 371319052 /nfs/dbraw/zinc/31/90/52/371319052.db2.gz UHPCJRNVALJYSH-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[NH+]1CCC(NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624226018 371413671 /nfs/dbraw/zinc/41/36/71/371413671.db2.gz HZNICBXPJFLAOD-CYBMUJFWSA-N 2 1 241.379 0.127 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@@H+]1C ZINC000624236638 371423671 /nfs/dbraw/zinc/42/36/71/371423671.db2.gz HEHSZGVQWXEMCX-DDHJBXDOSA-N 2 1 228.336 0.209 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@H+]1C ZINC000624236638 371423676 /nfs/dbraw/zinc/42/36/76/371423676.db2.gz HEHSZGVQWXEMCX-DDHJBXDOSA-N 2 1 228.336 0.209 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631179483 372219333 /nfs/dbraw/zinc/21/93/33/372219333.db2.gz DNVQNAGCDWVBEL-UHFFFAOYSA-N 2 1 232.287 0.853 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000171127183 372336107 /nfs/dbraw/zinc/33/61/07/372336107.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 2 1 245.367 0.021 20 0 BCADMP COCC[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC000171127183 372336110 /nfs/dbraw/zinc/33/61/10/372336110.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 2 1 245.367 0.021 20 0 BCADMP COCC[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000171127183 372336116 /nfs/dbraw/zinc/33/61/16/372336116.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 2 1 245.367 0.021 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821145 372595597 /nfs/dbraw/zinc/59/55/97/372595597.db2.gz QHQIJVNBDSIJPD-NEPJUHHUSA-N 2 1 249.362 0.697 20 0 BCADMP COCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840039 372607653 /nfs/dbraw/zinc/60/76/53/372607653.db2.gz OUYJDRLELVIVHW-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828750 372609472 /nfs/dbraw/zinc/60/94/72/372609472.db2.gz XIFPKEYTYRNZGT-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP CCn1cc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836639 372624511 /nfs/dbraw/zinc/62/45/11/372624511.db2.gz DBYONKRRLDXDHF-DGCLKSJQSA-N 2 1 236.363 0.972 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839444 372636828 /nfs/dbraw/zinc/63/68/28/372636828.db2.gz GMCSDBSSHQCHJN-IJLUTSLNSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839443 372636872 /nfs/dbraw/zinc/63/68/72/372636872.db2.gz GMCSDBSSHQCHJN-GRYCIOLGSA-N 2 1 241.379 0.768 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844069 372642592 /nfs/dbraw/zinc/64/25/92/372642592.db2.gz UZLFMOHHDPLJNG-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844069 372642600 /nfs/dbraw/zinc/64/26/00/372642600.db2.gz UZLFMOHHDPLJNG-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP Cn1c[nH+]cc1CCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848282 372646408 /nfs/dbraw/zinc/64/64/08/372646408.db2.gz RWJVLLVGXQETTL-JQWIXIFHSA-N 2 1 220.320 0.399 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825887 372604085 /nfs/dbraw/zinc/60/40/85/372604085.db2.gz XVWWUDNZUBWDPB-ZYHUDNBSSA-N 2 1 235.335 0.436 20 0 BCADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878935 372678366 /nfs/dbraw/zinc/67/83/66/372678366.db2.gz FJTANLKBQBDLAX-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878935 372678373 /nfs/dbraw/zinc/67/83/73/372678373.db2.gz FJTANLKBQBDLAX-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000631880502 372679882 /nfs/dbraw/zinc/67/98/82/372679882.db2.gz WSUMUKQSEUAJFT-OLZOCXBDSA-N 2 1 243.395 0.229 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887895 372682399 /nfs/dbraw/zinc/68/23/99/372682399.db2.gz RJACDIWHNFYIIT-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300815 374128317 /nfs/dbraw/zinc/12/83/17/374128317.db2.gz MOMMSFIZYZLSPY-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000634300711 374128792 /nfs/dbraw/zinc/12/87/92/374128792.db2.gz IYSRTFANZPQTGA-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[N@H+]1C ZINC000634300711 374128804 /nfs/dbraw/zinc/12/88/04/374128804.db2.gz IYSRTFANZPQTGA-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000634300870 374129144 /nfs/dbraw/zinc/12/91/44/374129144.db2.gz NYEYAMVGBCRQRQ-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC[N@H+]1C ZINC000634301119 374129692 /nfs/dbraw/zinc/12/96/92/374129692.db2.gz XAYHULNCWHJQRU-SDDRHHMPSA-N 2 1 241.379 0.768 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000132904783 182302635 /nfs/dbraw/zinc/30/26/35/182302635.db2.gz QHKNBDVDOOMGAJ-IJLUTSLNSA-N 2 1 237.347 0.481 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155884642 206071221 /nfs/dbraw/zinc/07/12/21/206071221.db2.gz YXTCKQAQXUHLQB-NEPJUHHUSA-N 2 1 230.352 0.722 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911233 182304119 /nfs/dbraw/zinc/30/41/19/182304119.db2.gz STCNJOBUEJXWHN-UTUOFQBUSA-N 2 1 237.347 0.339 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000166640727 206142712 /nfs/dbraw/zinc/14/27/12/206142712.db2.gz HCZDGPATVJTESA-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCNC(=O)[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908709 170095655 /nfs/dbraw/zinc/09/56/55/170095655.db2.gz RJKXMPYNIGBTPZ-FIQHERPVSA-N 2 1 241.379 0.829 20 0 BCADMP OCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304292173 183056977 /nfs/dbraw/zinc/05/69/77/183056977.db2.gz MNRBQFCRSRJCBK-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP OCC[N@@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000228587429 183065964 /nfs/dbraw/zinc/06/59/64/183065964.db2.gz LPSSBQPPJOJNFA-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358756130 169068046 /nfs/dbraw/zinc/06/80/46/169068046.db2.gz MPAWPVHXWHELIS-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358756130 169068047 /nfs/dbraw/zinc/06/80/47/169068047.db2.gz MPAWPVHXWHELIS-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356394882 169068371 /nfs/dbraw/zinc/06/83/71/169068371.db2.gz PSYDTDHNQBZKJB-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354529 169068768 /nfs/dbraw/zinc/06/87/68/169068768.db2.gz LOLNDLJBYPLJBJ-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC ZINC000309644884 169071498 /nfs/dbraw/zinc/07/14/98/169071498.db2.gz PXPVJANGQWROEQ-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCCC1 ZINC000355469372 169071546 /nfs/dbraw/zinc/07/15/46/169071546.db2.gz FBAAFDWWMAMBAC-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000359261530 169071623 /nfs/dbraw/zinc/07/16/23/169071623.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000359261530 169071624 /nfs/dbraw/zinc/07/16/24/169071624.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000359261530 169071626 /nfs/dbraw/zinc/07/16/26/169071626.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000358554226 169071757 /nfs/dbraw/zinc/07/17/57/169071757.db2.gz JDFNRPQVSOJSOV-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497641 169067393 /nfs/dbraw/zinc/06/73/93/169067393.db2.gz JDEVWXJJZULEPP-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000378204440 169121458 /nfs/dbraw/zinc/12/14/58/169121458.db2.gz WDTBOHHRSFKGGJ-GFCCVEGCSA-N 2 1 245.342 0.536 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000249077697 169121516 /nfs/dbraw/zinc/12/15/16/169121516.db2.gz RFFKIWUPCLCCGI-QWRGUYRKSA-N 2 1 229.368 0.818 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000356974959 169158689 /nfs/dbraw/zinc/15/86/89/169158689.db2.gz BXTITOHDDAFNJW-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000357109363 169187376 /nfs/dbraw/zinc/18/73/76/169187376.db2.gz VUEKQJCRVSEORP-UHFFFAOYSA-N 3 1 243.395 0.768 20 0 BCADMP CCC[NH+]1CCC(N(C)CCOCC[NH3+])CC1 ZINC000357109363 169187379 /nfs/dbraw/zinc/18/73/79/169187379.db2.gz VUEKQJCRVSEORP-UHFFFAOYSA-N 2 1 243.395 0.768 20 0 BCADMP CCCN1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000357109363 169187381 /nfs/dbraw/zinc/18/73/81/169187381.db2.gz VUEKQJCRVSEORP-UHFFFAOYSA-N 2 1 243.395 0.768 20 0 BCADMP CCCN1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000357109363 169187383 /nfs/dbraw/zinc/18/73/83/169187383.db2.gz VUEKQJCRVSEORP-UHFFFAOYSA-N 2 1 243.395 0.768 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000336775813 169199702 /nfs/dbraw/zinc/19/97/02/169199702.db2.gz CTHCGNUURKXJEL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000336775813 169199703 /nfs/dbraw/zinc/19/97/03/169199703.db2.gz CTHCGNUURKXJEL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125997210 169200058 /nfs/dbraw/zinc/20/00/58/169200058.db2.gz RMFHSQFVUOTJPI-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CCCNC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000045071681 169217040 /nfs/dbraw/zinc/21/70/40/169217040.db2.gz YDZAUPUZEICJHE-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249180 169245806 /nfs/dbraw/zinc/24/58/06/169245806.db2.gz LCYWFLFVQHDRKF-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249180 169245808 /nfs/dbraw/zinc/24/58/08/169245808.db2.gz LCYWFLFVQHDRKF-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000295245225 169273598 /nfs/dbraw/zinc/27/35/98/169273598.db2.gz TUSFQJDMAQOXLR-JTQLQIEISA-N 2 1 238.335 0.696 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[NH3+] ZINC000178818695 134315478 /nfs/dbraw/zinc/31/54/78/134315478.db2.gz DBCOKANGHBDHIJ-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222711055 134333918 /nfs/dbraw/zinc/33/39/18/134333918.db2.gz KUQNFOHZSMLBTJ-UMSGYPCISA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226953 134345262 /nfs/dbraw/zinc/34/52/62/134345262.db2.gz XITBRBMJXPWHJO-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226953 134345263 /nfs/dbraw/zinc/34/52/63/134345263.db2.gz XITBRBMJXPWHJO-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000226325463 134360294 /nfs/dbraw/zinc/36/02/94/134360294.db2.gz YEBZPJFFUOYIKI-ONGXEEELSA-N 2 1 232.393 0.783 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226397223 134364950 /nfs/dbraw/zinc/36/49/50/134364950.db2.gz MTNSINHKECHIKY-NXEZZACHSA-N 2 1 215.341 0.570 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816787 383864920 /nfs/dbraw/zinc/86/49/20/383864920.db2.gz GPGITRJUXBHGJR-GFCCVEGCSA-N 2 1 239.363 0.524 20 0 BCADMP Cn1cnnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569363847 383918303 /nfs/dbraw/zinc/91/83/03/383918303.db2.gz NPBXYMAQWDGWQX-GFCCVEGCSA-N 2 1 249.362 0.637 20 0 BCADMP C[NH2+]C1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000518535773 383992892 /nfs/dbraw/zinc/99/28/92/383992892.db2.gz KLLMHEBALPZMPR-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000518535773 383992895 /nfs/dbraw/zinc/99/28/95/383992895.db2.gz KLLMHEBALPZMPR-LBPRGKRZSA-N 2 1 241.379 0.391 20 0 BCADMP CC1(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000564968885 383966692 /nfs/dbraw/zinc/96/66/92/383966692.db2.gz KHDZWZPNUDBGFO-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP Cc1ccc(NCCCNC(=O)CC[NH3+])[nH+]c1 ZINC000262659174 383977281 /nfs/dbraw/zinc/97/72/81/383977281.db2.gz WOCFLUGJMVLNIE-UHFFFAOYSA-N 2 1 236.319 0.657 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CCC1 ZINC000642680543 384042937 /nfs/dbraw/zinc/04/29/37/384042937.db2.gz WUXVNEPWJTWPHB-BETUJISGSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC[N@H+]1C ZINC000648127918 384057940 /nfs/dbraw/zinc/05/79/40/384057940.db2.gz OORPBVFTKBLXBW-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC[N@H+]1C ZINC000648127919 384058517 /nfs/dbraw/zinc/05/85/17/384058517.db2.gz OORPBVFTKBLXBW-IRCOFANPSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000648128831 384073477 /nfs/dbraw/zinc/07/34/77/384073477.db2.gz SVLNFRIAJOKTDW-DDHJBXDOSA-N 2 1 239.363 0.583 20 0 BCADMP CCC1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000308747706 384129699 /nfs/dbraw/zinc/12/96/99/384129699.db2.gz SGXFWQZHXSYJAR-VQXHTEKXSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000302349985 384148811 /nfs/dbraw/zinc/14/88/11/384148811.db2.gz JZNAGGFJCNNQTA-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000236104232 384182308 /nfs/dbraw/zinc/18/23/08/384182308.db2.gz BLVFYMOBTRXIFQ-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP [NH3+]Cc1noc(-c2cccn2C2CC[NH2+]CC2)n1 ZINC000647161094 384218844 /nfs/dbraw/zinc/21/88/44/384218844.db2.gz RJDQPSBSZFIJQQ-UHFFFAOYSA-N 2 1 247.302 0.921 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000069626450 384247783 /nfs/dbraw/zinc/24/77/83/384247783.db2.gz ZYQICTMNKOMLDY-NSHDSACASA-N 2 1 222.336 0.981 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000228471748 384258489 /nfs/dbraw/zinc/25/84/89/384258489.db2.gz HPLZQRKEVJVMPY-YNEHKIRRSA-N 2 1 234.347 0.942 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000173754798 384262787 /nfs/dbraw/zinc/26/27/87/384262787.db2.gz KJNBCQWTNRPJQK-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000173754798 384262792 /nfs/dbraw/zinc/26/27/92/384262792.db2.gz KJNBCQWTNRPJQK-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP c1cn(CC[N@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000133750399 384310525 /nfs/dbraw/zinc/31/05/25/384310525.db2.gz OIXRQIZTCQHAKD-GFCCVEGCSA-N 2 1 221.304 0.994 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773196 384294828 /nfs/dbraw/zinc/29/48/28/384294828.db2.gz NAVSNAVGFMAKOW-NNYUYHANSA-N 2 1 237.347 0.276 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000083834390 384336017 /nfs/dbraw/zinc/33/60/17/384336017.db2.gz GIOAWDDSQXJNRB-UHFFFAOYSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300356263 384354983 /nfs/dbraw/zinc/35/49/83/384354983.db2.gz JFFGINSENRTGCI-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300356263 384354990 /nfs/dbraw/zinc/35/49/90/384354990.db2.gz JFFGINSENRTGCI-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772545 384409788 /nfs/dbraw/zinc/40/97/88/384409788.db2.gz MOYWJKUGABZMNW-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000335655150 384451905 /nfs/dbraw/zinc/45/19/05/384451905.db2.gz ADJQBHDWCIPOPE-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cncc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000335658668 384461886 /nfs/dbraw/zinc/46/18/86/384461886.db2.gz WDMSOQLDBRHKSZ-LLVKDONJSA-N 2 1 222.336 0.898 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000249027683 384464443 /nfs/dbraw/zinc/46/44/43/384464443.db2.gz LREFDHZQOFQHFJ-NAKRPEOUSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000249027686 384464476 /nfs/dbraw/zinc/46/44/76/384464476.db2.gz LREFDHZQOFQHFJ-VPOLOUISSA-N 2 1 239.363 0.711 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397317363 384473952 /nfs/dbraw/zinc/47/39/52/384473952.db2.gz LRPOOXYWNDYJPB-GMTAPVOTSA-N 2 1 227.352 0.380 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484149 384505374 /nfs/dbraw/zinc/50/53/74/384505374.db2.gz ZPNTVKWFQUGPAH-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236649174 384542073 /nfs/dbraw/zinc/54/20/73/384542073.db2.gz WTWFPQUMMBQKAM-SNVBAGLBSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236649728 384543662 /nfs/dbraw/zinc/54/36/62/384543662.db2.gz FGCQMWJJAUSJAV-LBPRGKRZSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000236649563 384543991 /nfs/dbraw/zinc/54/39/91/384543991.db2.gz HUIPGWSEZLUHNL-JTQLQIEISA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639389 384543970 /nfs/dbraw/zinc/54/39/70/384543970.db2.gz BZDPNFHLYPCUBC-MXWKQRLJSA-N 2 1 241.379 0.816 20 0 BCADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000643057896 384562907 /nfs/dbraw/zinc/56/29/07/384562907.db2.gz XDDMMYADGTUWMX-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP COCC[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566120033 384537622 /nfs/dbraw/zinc/53/76/22/384537622.db2.gz FBOHVUNWFBYTGV-DGCLKSJQSA-N 2 1 244.379 0.704 20 0 BCADMP COCC[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566120033 384537626 /nfs/dbraw/zinc/53/76/26/384537626.db2.gz FBOHVUNWFBYTGV-DGCLKSJQSA-N 2 1 244.379 0.704 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH3+] ZINC000648177626 384568325 /nfs/dbraw/zinc/56/83/25/384568325.db2.gz KKYYLCNLVWQXLQ-SNVBAGLBSA-N 2 1 238.335 0.814 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000306068122 384568798 /nfs/dbraw/zinc/56/87/98/384568798.db2.gz ZGYBSQBOJVRYSV-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000306068122 384568807 /nfs/dbraw/zinc/56/88/07/384568807.db2.gz ZGYBSQBOJVRYSV-LLVKDONJSA-N 2 1 245.367 0.054 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCOC1 ZINC000400705300 384615596 /nfs/dbraw/zinc/61/55/96/384615596.db2.gz QHCSEPWOJDASQF-NSHDSACASA-N 2 1 216.325 0.320 20 0 BCADMP CC[C@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905312 384597668 /nfs/dbraw/zinc/59/76/68/384597668.db2.gz QMQYPWQLFJWBCI-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000357038849 384670377 /nfs/dbraw/zinc/67/03/77/384670377.db2.gz ACXJBHZRHXXJBG-YNEHKIRRSA-N 2 1 224.348 0.954 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220576299 384657516 /nfs/dbraw/zinc/65/75/16/384657516.db2.gz QYEHHQLOQSTPFQ-JOYOIKCWSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220576299 384657524 /nfs/dbraw/zinc/65/75/24/384657524.db2.gz QYEHHQLOQSTPFQ-JOYOIKCWSA-N 2 1 222.336 0.898 20 0 BCADMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCOC1 ZINC000359427364 384726012 /nfs/dbraw/zinc/72/60/12/384726012.db2.gz PGRYPESBZFOEHF-XQQFMLRXSA-N 2 1 242.363 0.722 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000104418518 384685513 /nfs/dbraw/zinc/68/55/13/384685513.db2.gz VKZCUHBMWMURGH-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000104418518 384685520 /nfs/dbraw/zinc/68/55/20/384685520.db2.gz VKZCUHBMWMURGH-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545771 384726899 /nfs/dbraw/zinc/72/68/99/384726899.db2.gz PUBKILNSYWAKNS-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545774 384727263 /nfs/dbraw/zinc/72/72/63/384727263.db2.gz PUBKILNSYWAKNS-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000236872452 384713807 /nfs/dbraw/zinc/71/38/07/384713807.db2.gz IKYNDNUDLLEAKS-RYUDHWBXSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932298 384721320 /nfs/dbraw/zinc/72/13/20/384721320.db2.gz MHILTEGARHRASF-OPRDCNLKSA-N 2 1 211.309 0.029 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000518183948 384776293 /nfs/dbraw/zinc/77/62/93/384776293.db2.gz QZRQSJKZQOCXPF-MRVPVSSYSA-N 2 1 222.292 0.827 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000236874097 384730303 /nfs/dbraw/zinc/73/03/03/384730303.db2.gz FXLWEVIRAGQZST-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546370 384731020 /nfs/dbraw/zinc/73/10/20/384731020.db2.gz HTBKSEKWYLKKFK-GRYCIOLGSA-N 3 1 211.353 0.574 20 0 BCADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546374 384731686 /nfs/dbraw/zinc/73/16/86/384731686.db2.gz HTBKSEKWYLKKFK-SDDRHHMPSA-N 3 1 211.353 0.574 20 0 BCADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]C3)CC[C@H]12 ZINC000647546843 384732653 /nfs/dbraw/zinc/73/26/53/384732653.db2.gz DHLZCDWZJQAELI-LPWJVIDDSA-N 3 1 223.364 0.716 20 0 BCADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC000647546842 384732901 /nfs/dbraw/zinc/73/29/01/384732901.db2.gz DHLZCDWZJQAELI-LOWDOPEQSA-N 3 1 223.364 0.716 20 0 BCADMP CC[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547168 384737410 /nfs/dbraw/zinc/73/74/10/384737410.db2.gz PNNCVWSJFODZFI-WISYIIOYSA-N 2 1 211.353 0.701 20 0 BCADMP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000647546987 384737912 /nfs/dbraw/zinc/73/79/12/384737912.db2.gz JLOBRQRQYKPOTH-RYUDHWBXSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000334850880 384747836 /nfs/dbraw/zinc/74/78/36/384747836.db2.gz XQBUICQYOXCWRF-XKGSQUFQSA-N 3 1 211.353 0.986 20 0 BCADMP C[C@@H]1CNC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547832 384750410 /nfs/dbraw/zinc/75/04/10/384750410.db2.gz HBXXTVMZOUHAJD-QJPTWQEYSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547832 384750417 /nfs/dbraw/zinc/75/04/17/384750417.db2.gz HBXXTVMZOUHAJD-QJPTWQEYSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037452 384779802 /nfs/dbraw/zinc/77/98/02/384779802.db2.gz IBDJMHLHEWONKD-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300398886 384753229 /nfs/dbraw/zinc/75/32/29/384753229.db2.gz OPBWRIFTZFXABY-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300398886 384753237 /nfs/dbraw/zinc/75/32/37/384753237.db2.gz OPBWRIFTZFXABY-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000647550952 384766326 /nfs/dbraw/zinc/76/63/26/384766326.db2.gz QEGLEJSYJDZSAU-GHMZBOCLSA-N 2 1 248.392 0.399 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449650276 384816616 /nfs/dbraw/zinc/81/66/16/384816616.db2.gz TYMPHHLKUBWCEI-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000054133106 384821054 /nfs/dbraw/zinc/82/10/54/384821054.db2.gz ZCKUFTKYWKYARO-CYBMUJFWSA-N 2 1 249.358 0.624 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126978002 384835269 /nfs/dbraw/zinc/83/52/69/384835269.db2.gz MOERWAKBVNUDOM-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000357083271 384787434 /nfs/dbraw/zinc/78/74/34/384787434.db2.gz OSKDKEPQFXPIEB-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000357083271 384787439 /nfs/dbraw/zinc/78/74/39/384787439.db2.gz OSKDKEPQFXPIEB-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006883 384836270 /nfs/dbraw/zinc/83/62/70/384836270.db2.gz CLMOQOKUPDTURS-HBNTYKKESA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006883 384836275 /nfs/dbraw/zinc/83/62/75/384836275.db2.gz CLMOQOKUPDTURS-HBNTYKKESA-N 2 1 227.352 0.535 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000084063511 384836623 /nfs/dbraw/zinc/83/66/23/384836623.db2.gz VZUBFQYORGKIOG-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000083883657 384809286 /nfs/dbraw/zinc/80/92/86/384809286.db2.gz FSNSYVFRRNBQPI-NSHDSACASA-N 2 1 247.342 0.508 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000083883657 384809289 /nfs/dbraw/zinc/80/92/89/384809289.db2.gz FSNSYVFRRNBQPI-NSHDSACASA-N 2 1 247.342 0.508 20 0 BCADMP CC[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040019 384809961 /nfs/dbraw/zinc/80/99/61/384809961.db2.gz XNJFFPVEXGARQC-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449650279 384814260 /nfs/dbraw/zinc/81/42/60/384814260.db2.gz TYMPHHLKUBWCEI-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000126852544 384838859 /nfs/dbraw/zinc/83/88/59/384838859.db2.gz CMSMWNHMKDJTOC-QWHCGFSZSA-N 2 1 247.342 0.767 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849342 /nfs/dbraw/zinc/84/93/42/384849342.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849354 /nfs/dbraw/zinc/84/93/54/384849354.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849363 /nfs/dbraw/zinc/84/93/63/384849363.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000557466886 384958184 /nfs/dbraw/zinc/95/81/84/384958184.db2.gz BIWIICGPPHSUMI-MNOVXSKESA-N 2 1 227.352 0.252 20 0 BCADMP COC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310259338 384931532 /nfs/dbraw/zinc/93/15/32/384931532.db2.gz HJMIAYLXPKZZQX-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310259338 384931539 /nfs/dbraw/zinc/93/15/39/384931539.db2.gz HJMIAYLXPKZZQX-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310259338 384931548 /nfs/dbraw/zinc/93/15/48/384931548.db2.gz HJMIAYLXPKZZQX-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310259338 384931553 /nfs/dbraw/zinc/93/15/53/384931553.db2.gz HJMIAYLXPKZZQX-AAEUAGOBSA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)C1C[NH2+]C1 ZINC000226078081 384937085 /nfs/dbraw/zinc/93/70/85/384937085.db2.gz DHXDSSZUGFKCSQ-KOLCDFICSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258884559 384945449 /nfs/dbraw/zinc/94/54/49/384945449.db2.gz USJPFFFPWOYMMN-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)O ZINC000564845139 384974723 /nfs/dbraw/zinc/97/47/23/384974723.db2.gz QAMLOZJHZAJDKB-NXEZZACHSA-N 2 1 211.309 0.941 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000310354568 385002482 /nfs/dbraw/zinc/00/24/82/385002482.db2.gz QIZHPEDQUPDZNR-UMSGYPCISA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398437 385006238 /nfs/dbraw/zinc/00/62/38/385006238.db2.gz GMFQYOXQIFXQJW-KOLCDFICSA-N 2 1 227.352 0.569 20 0 BCADMP C[C@@]1(C[NH2+]CC(=O)NCC2CC2)CC[NH2+]C1 ZINC000518376120 385007859 /nfs/dbraw/zinc/00/78/59/385007859.db2.gz ZTADOINIXGCGBJ-GFCCVEGCSA-N 2 1 225.336 0.102 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402873 385011272 /nfs/dbraw/zinc/01/12/72/385011272.db2.gz VUNBLXXOWZGTSM-JQWIXIFHSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402873 385011282 /nfs/dbraw/zinc/01/12/82/385011282.db2.gz VUNBLXXOWZGTSM-JQWIXIFHSA-N 2 1 227.352 0.666 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423520753 385012099 /nfs/dbraw/zinc/01/20/99/385012099.db2.gz QFQWHIFPRUZXAA-JHJVBQTASA-N 2 1 223.364 0.668 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304652272 385015574 /nfs/dbraw/zinc/01/55/74/385015574.db2.gz YMRPGZHHAISFQX-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226741916 385047752 /nfs/dbraw/zinc/04/77/52/385047752.db2.gz ZQZRPYIDITVDRC-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485369 385055531 /nfs/dbraw/zinc/05/55/31/385055531.db2.gz NYGZQEJURMCWQC-KOLCDFICSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000646917151 385058401 /nfs/dbraw/zinc/05/84/01/385058401.db2.gz YLYFLQNXPHPMIS-HBNTYKKESA-N 2 1 225.336 0.099 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310425424 385060472 /nfs/dbraw/zinc/06/04/72/385060472.db2.gz ZZQQRYXXWAUAGI-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310425424 385060475 /nfs/dbraw/zinc/06/04/75/385060475.db2.gz ZZQQRYXXWAUAGI-DGCLKSJQSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000449118895 385061676 /nfs/dbraw/zinc/06/16/76/385061676.db2.gz ZWWDUXAILSSDPU-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000646937798 385070467 /nfs/dbraw/zinc/07/04/67/385070467.db2.gz SSPBDLUECQIRPY-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310377085 385025622 /nfs/dbraw/zinc/02/56/22/385025622.db2.gz AHQPOVBZARFIIC-CHWSQXEVSA-N 2 1 234.347 0.875 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310377085 385025632 /nfs/dbraw/zinc/02/56/32/385025632.db2.gz AHQPOVBZARFIIC-CHWSQXEVSA-N 2 1 234.347 0.875 20 0 BCADMP C[N@@H+](CCn1cccn1)CC1CC[NH2+]CC1 ZINC000086702714 385041419 /nfs/dbraw/zinc/04/14/19/385041419.db2.gz DZDHECLZDMTWEJ-UHFFFAOYSA-N 2 1 222.336 0.815 20 0 BCADMP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000647460184 385045182 /nfs/dbraw/zinc/04/51/82/385045182.db2.gz NEGSZFZLDCYGRJ-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000647460184 385045187 /nfs/dbraw/zinc/04/51/87/385045187.db2.gz NEGSZFZLDCYGRJ-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000647460184 385045191 /nfs/dbraw/zinc/04/51/91/385045191.db2.gz NEGSZFZLDCYGRJ-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000647460184 385045195 /nfs/dbraw/zinc/04/51/95/385045195.db2.gz NEGSZFZLDCYGRJ-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCO)C1 ZINC000177823632 385119081 /nfs/dbraw/zinc/11/90/81/385119081.db2.gz RGYMKAZHBQKMNT-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCO)C1 ZINC000177823632 385119088 /nfs/dbraw/zinc/11/90/88/385119088.db2.gz RGYMKAZHBQKMNT-LLVKDONJSA-N 2 1 200.326 0.642 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991938 385128789 /nfs/dbraw/zinc/12/87/89/385128789.db2.gz SOLFQRNWQVJCKF-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP COC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669263 385085977 /nfs/dbraw/zinc/08/59/77/385085977.db2.gz QBZHZFXVOSRSFW-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102164 /nfs/dbraw/zinc/10/21/64/385102164.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102171 /nfs/dbraw/zinc/10/21/71/385102171.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102175 /nfs/dbraw/zinc/10/21/75/385102175.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102179 /nfs/dbraw/zinc/10/21/79/385102179.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404846491 385103924 /nfs/dbraw/zinc/10/39/24/385103924.db2.gz NXVWFZOUSKQFFG-UWVGGRQHSA-N 2 1 208.309 0.636 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC(C)(O)CC1)C1CC1 ZINC000310523498 385105485 /nfs/dbraw/zinc/10/54/85/385105485.db2.gz VLEDOYZOFDMUDT-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523498 385105488 /nfs/dbraw/zinc/10/54/88/385105488.db2.gz VLEDOYZOFDMUDT-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404923970 385183096 /nfs/dbraw/zinc/18/30/96/385183096.db2.gz YZRGEGGEELFQFY-RKDXNWHRSA-N 2 1 213.325 0.228 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCOC1 ZINC000252709640 385188557 /nfs/dbraw/zinc/18/85/57/385188557.db2.gz DKFPZIWBPCYLKN-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820447 385192293 /nfs/dbraw/zinc/19/22/93/385192293.db2.gz BUCSCEMCEOFQOY-RKDXNWHRSA-N 2 1 222.279 0.673 20 0 BCADMP OCC[NH+](CCO)CCC[NH+]1CCCCC1 ZINC000039381300 385144129 /nfs/dbraw/zinc/14/41/29/385144129.db2.gz CFABNGFSTWIYEQ-UHFFFAOYSA-N 2 1 230.352 0.149 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1COCC1(C)C ZINC000401656953 385148318 /nfs/dbraw/zinc/14/83/18/385148318.db2.gz AMIVIWNSNXFOQP-LLVKDONJSA-N 2 1 223.320 0.977 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647035682 385168986 /nfs/dbraw/zinc/16/89/86/385168986.db2.gz ZXASYNXMKYIEPD-QWRGUYRKSA-N 2 1 245.342 0.487 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000157401266 385172402 /nfs/dbraw/zinc/17/24/02/385172402.db2.gz GSPXXSMGUOXOFC-GMTAPVOTSA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647064794 385209501 /nfs/dbraw/zinc/20/95/01/385209501.db2.gz CACLNFDIRFMDOV-LLVKDONJSA-N 2 1 231.315 0.274 20 0 BCADMP CCOCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164662200 385222765 /nfs/dbraw/zinc/22/27/65/385222765.db2.gz FTNAENCCEWSWIA-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647882 385224919 /nfs/dbraw/zinc/22/49/19/385224919.db2.gz PAECRHUXAXVWOQ-NEPJUHHUSA-N 2 1 222.336 0.800 20 0 BCADMP CC[C@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000190307486 385228984 /nfs/dbraw/zinc/22/89/84/385228984.db2.gz RQZUSXNEJRBHFY-SECBINFHSA-N 2 1 235.278 0.229 20 0 BCADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000227811197 385248202 /nfs/dbraw/zinc/24/82/02/385248202.db2.gz XBJDOLQEDCXNHU-IJLUTSLNSA-N 2 1 237.347 0.420 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237031494 385253008 /nfs/dbraw/zinc/25/30/08/385253008.db2.gz SYUQBVVIFZDXEF-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000178701328 385319341 /nfs/dbraw/zinc/31/93/41/385319341.db2.gz ZYDBAFJKSWKCJZ-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000178701328 385319347 /nfs/dbraw/zinc/31/93/47/385319347.db2.gz ZYDBAFJKSWKCJZ-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000259333344 385283853 /nfs/dbraw/zinc/28/38/53/385283853.db2.gz XXMCUIARYQSBBY-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331578 /nfs/dbraw/zinc/33/15/78/385331578.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 2 1 243.395 0.230 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332562 /nfs/dbraw/zinc/33/25/62/385332562.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 2 1 243.395 0.230 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC12CCC2 ZINC000309045209 385388820 /nfs/dbraw/zinc/38/88/20/385388820.db2.gz OBPOTXRNBKJUBJ-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165016958 385339018 /nfs/dbraw/zinc/33/90/18/385339018.db2.gz GMCPABWEOTXCMX-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867245 385340474 /nfs/dbraw/zinc/34/04/74/385340474.db2.gz AEDKBIUBNWOWIL-CIUDSAMLSA-N 2 1 211.309 0.075 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152328 385349210 /nfs/dbraw/zinc/34/92/10/385349210.db2.gz PQUZVNXHGPPKLN-ONGXEEELSA-N 2 1 222.336 0.898 20 0 BCADMP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cnc[nH]2)C1 ZINC000644733733 385353949 /nfs/dbraw/zinc/35/39/49/385353949.db2.gz LHLXMPGXAYPOBS-ONGXEEELSA-N 2 1 206.293 0.546 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cnc[nH]2)C1 ZINC000644733733 385353952 /nfs/dbraw/zinc/35/39/52/385353952.db2.gz LHLXMPGXAYPOBS-ONGXEEELSA-N 2 1 206.293 0.546 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000309048930 385382590 /nfs/dbraw/zinc/38/25/90/385382590.db2.gz PTJMEOKJEVVHGU-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309048930 385382593 /nfs/dbraw/zinc/38/25/93/385382593.db2.gz PTJMEOKJEVVHGU-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309048930 385382598 /nfs/dbraw/zinc/38/25/98/385382598.db2.gz PTJMEOKJEVVHGU-RYUDHWBXSA-N 2 1 213.369 0.868 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000405227083 385386138 /nfs/dbraw/zinc/38/61/38/385386138.db2.gz OZIMAQHZKPGYHC-VHSXEESVSA-N 2 1 225.336 0.228 20 0 BCADMP CC(C)C1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000308972111 385328051 /nfs/dbraw/zinc/32/80/51/385328051.db2.gz FOHMEADJXOVERQ-MCIGGMRASA-N 2 1 214.353 0.933 20 0 BCADMP Cc1c[nH]nc1C[NH2+]CCn1ccnc1 ZINC000309083848 385401014 /nfs/dbraw/zinc/40/10/14/385401014.db2.gz UOAKENDDXBIWOI-UHFFFAOYSA-N 2 1 205.265 0.704 20 0 BCADMP C[N@@H+](CCc1cn[nH]c1)CC(C)(C)C[NH3+] ZINC000309098432 385407381 /nfs/dbraw/zinc/40/73/81/385407381.db2.gz HUHYAPOJTLRTSO-UHFFFAOYSA-N 2 1 210.325 0.869 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000335919017 385477348 /nfs/dbraw/zinc/47/73/48/385477348.db2.gz ZOPORTOVUKLQIX-CYBMUJFWSA-N 2 1 234.347 0.877 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599229 385479090 /nfs/dbraw/zinc/47/90/90/385479090.db2.gz KRRHFKJQYFCHDR-DGCLKSJQSA-N 2 1 237.347 0.196 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000257676764 385485879 /nfs/dbraw/zinc/48/58/79/385485879.db2.gz HWHUUSVFCGYSSE-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000257654490 385487043 /nfs/dbraw/zinc/48/70/43/385487043.db2.gz CCCRWSHGWAYOHK-MCIGGMRASA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH3+])CC2)C1 ZINC000257689891 385493423 /nfs/dbraw/zinc/49/34/23/385493423.db2.gz LKGSBWUDJPBSSM-VOMCLLRMSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NC(N)=O)C1 ZINC000408062740 385493755 /nfs/dbraw/zinc/49/37/55/385493755.db2.gz ZYXNCLDZRASBTH-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NC(N)=O)C1 ZINC000408062740 385493759 /nfs/dbraw/zinc/49/37/59/385493759.db2.gz ZYXNCLDZRASBTH-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000408062740 385493761 /nfs/dbraw/zinc/49/37/61/385493761.db2.gz ZYXNCLDZRASBTH-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000408062740 385493763 /nfs/dbraw/zinc/49/37/63/385493763.db2.gz ZYXNCLDZRASBTH-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000257754446 385496630 /nfs/dbraw/zinc/49/66/30/385496630.db2.gz QFNCFTBKFHBCOP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000257707389 385490263 /nfs/dbraw/zinc/49/02/63/385490263.db2.gz PSVHNFKJOLCMMG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000257708760 385490385 /nfs/dbraw/zinc/49/03/85/385490385.db2.gz QCQLKXRBGPWSME-UWVGGRQHSA-N 2 1 213.325 0.039 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSC1 ZINC000309382905 385556668 /nfs/dbraw/zinc/55/66/68/385556668.db2.gz GSVDOJMGFUBZRO-RYUDHWBXSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCSC1 ZINC000309382905 385556671 /nfs/dbraw/zinc/55/66/71/385556671.db2.gz GSVDOJMGFUBZRO-RYUDHWBXSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCSC1)C1CC1 ZINC000309382905 385556672 /nfs/dbraw/zinc/55/66/72/385556672.db2.gz GSVDOJMGFUBZRO-RYUDHWBXSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCSC1)C1CC1 ZINC000309382905 385556675 /nfs/dbraw/zinc/55/66/75/385556675.db2.gz GSVDOJMGFUBZRO-RYUDHWBXSA-N 2 1 244.404 0.879 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364991153 385557216 /nfs/dbraw/zinc/55/72/16/385557216.db2.gz YFSZXVXATLVWDQ-UTUOFQBUSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000211696374 385596028 /nfs/dbraw/zinc/59/60/28/385596028.db2.gz KCGIYIVTOJXTEM-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178676 385606904 /nfs/dbraw/zinc/60/69/04/385606904.db2.gz XOMWUMYBTBASFB-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000647705990 385580232 /nfs/dbraw/zinc/58/02/32/385580232.db2.gz ZZTJQHCNATYETF-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000082651673 385627070 /nfs/dbraw/zinc/62/70/70/385627070.db2.gz XRGJNIPRTRWWDF-VXGBXAGGSA-N 2 1 222.336 0.942 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706417 385631981 /nfs/dbraw/zinc/63/19/81/385631981.db2.gz JDXQWJWAQPYQLU-WCABBAIRSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706417 385631987 /nfs/dbraw/zinc/63/19/87/385631987.db2.gz JDXQWJWAQPYQLU-WCABBAIRSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000309514713 385651476 /nfs/dbraw/zinc/65/14/76/385651476.db2.gz YIHHLKSWYPLWHM-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP C[N@H+](CCC[NH+]1CCCCC1)CCOCCO ZINC000337496446 385685159 /nfs/dbraw/zinc/68/51/59/385685159.db2.gz RSBCEXFOXSZTBM-UHFFFAOYSA-N 2 1 244.379 0.803 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOCCO ZINC000337496446 385685165 /nfs/dbraw/zinc/68/51/65/385685165.db2.gz RSBCEXFOXSZTBM-UHFFFAOYSA-N 2 1 244.379 0.803 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000647793421 385700590 /nfs/dbraw/zinc/70/05/90/385700590.db2.gz XMZCBKBORAQWPU-LOWDOPEQSA-N 2 1 242.363 0.362 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645263121 385701034 /nfs/dbraw/zinc/70/10/34/385701034.db2.gz HPPNRUWMQZLXNJ-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647801403 385813045 /nfs/dbraw/zinc/81/30/45/385813045.db2.gz UQIIORGLMHURHN-QWRGUYRKSA-N 2 1 237.351 0.335 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000647805183 385844284 /nfs/dbraw/zinc/84/42/84/385844284.db2.gz BCHNQEJPSJRCSI-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncn1C ZINC000122327320 385910664 /nfs/dbraw/zinc/91/06/64/385910664.db2.gz AKQJKWNQLARQEY-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncn1C ZINC000122327320 385910670 /nfs/dbraw/zinc/91/06/70/385910670.db2.gz AKQJKWNQLARQEY-NXEZZACHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336721552 385912137 /nfs/dbraw/zinc/91/21/37/385912137.db2.gz DSROZCGHSRTCBS-IRCOFANPSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[N@H+]1C ZINC000647817014 385870756 /nfs/dbraw/zinc/87/07/56/385870756.db2.gz YKRDRHOZAALQEW-QCNOEVLYSA-N 2 1 239.363 0.522 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647830517 385872860 /nfs/dbraw/zinc/87/28/60/385872860.db2.gz NBWYHVCQDGGOQT-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000647829681 385878302 /nfs/dbraw/zinc/87/83/02/385878302.db2.gz LPXBIKXHUCMCLO-JTQLQIEISA-N 2 1 224.308 0.591 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647829610 385878637 /nfs/dbraw/zinc/87/86/37/385878637.db2.gz DFMHRMAFZKGDDZ-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP CN(C)c1cc(NC(=O)C2([NH3+])CCC2)cc[nH+]1 ZINC000295202723 385989985 /nfs/dbraw/zinc/98/99/85/385989985.db2.gz YWLWNFBAKYUSQX-UHFFFAOYSA-N 2 1 234.303 0.968 20 0 BCADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])o1 ZINC000414881210 385991226 /nfs/dbraw/zinc/99/12/26/385991226.db2.gz SCAINTGUVGKPCL-QMMMGPOBSA-N 2 1 226.276 0.751 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878216 385934111 /nfs/dbraw/zinc/93/41/11/385934111.db2.gz ODKMGGWAQPZCMN-WOPDTQHZSA-N 2 1 213.369 0.901 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878216 385934114 /nfs/dbraw/zinc/93/41/14/385934114.db2.gz ODKMGGWAQPZCMN-WOPDTQHZSA-N 3 1 213.369 0.901 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878216 385934119 /nfs/dbraw/zinc/93/41/19/385934119.db2.gz ODKMGGWAQPZCMN-WOPDTQHZSA-N 3 1 213.369 0.901 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043295 385936949 /nfs/dbraw/zinc/93/69/49/385936949.db2.gz VLMLGCUHIFUXTE-AAEUAGOBSA-N 3 1 225.380 0.916 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417449155 385957683 /nfs/dbraw/zinc/95/76/83/385957683.db2.gz XNLGTBXUJVZZBE-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP CC(C)N1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924979 385964773 /nfs/dbraw/zinc/96/47/73/385964773.db2.gz ZYBOZWYIRUFUII-LLVKDONJSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865399 385994438 /nfs/dbraw/zinc/99/44/38/385994438.db2.gz IETFVQRKWSDKRB-TUAOUCFPSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865399 385994445 /nfs/dbraw/zinc/99/44/45/385994445.db2.gz IETFVQRKWSDKRB-TUAOUCFPSA-N 3 1 227.352 0.034 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309272821 385999458 /nfs/dbraw/zinc/99/94/58/385999458.db2.gz LLFPCMKGWZPZTO-RYUDHWBXSA-N 2 1 220.320 0.636 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417460326 386011935 /nfs/dbraw/zinc/01/19/35/386011935.db2.gz KBDBLKVKFIWXGT-SNVBAGLBSA-N 2 1 230.356 0.363 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000054133244 386111107 /nfs/dbraw/zinc/11/11/07/386111107.db2.gz VHIFFNYGPWYBLJ-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054340065 386121039 /nfs/dbraw/zinc/12/10/39/386121039.db2.gz FKQVBFHBTKYWDD-ZJUUUORDSA-N 2 1 225.336 0.182 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649187 386059634 /nfs/dbraw/zinc/05/96/34/386059634.db2.gz CBKXUSIWLUIGHG-GRYCIOLGSA-N 3 1 211.353 0.668 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649187 386059639 /nfs/dbraw/zinc/05/96/39/386059639.db2.gz CBKXUSIWLUIGHG-GRYCIOLGSA-N 3 1 211.353 0.668 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CCO)COC)[C@H](C)C1 ZINC000345238539 386076232 /nfs/dbraw/zinc/07/62/32/386076232.db2.gz IMPGKHGOHPWNSX-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCN[C@@H](C)C2)CC[NH2+]1 ZINC000414663486 386099863 /nfs/dbraw/zinc/09/98/63/386099863.db2.gz SEYJFWKIFNNAFW-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](CN2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414663486 386099868 /nfs/dbraw/zinc/09/98/68/386099868.db2.gz SEYJFWKIFNNAFW-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673133 386144509 /nfs/dbraw/zinc/14/45/09/386144509.db2.gz QHLRRBONSZGRNA-ZJUUUORDSA-N 2 1 213.325 0.167 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673133 386144511 /nfs/dbraw/zinc/14/45/11/386144511.db2.gz QHLRRBONSZGRNA-ZJUUUORDSA-N 2 1 213.325 0.167 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673077 386145419 /nfs/dbraw/zinc/14/54/19/386145419.db2.gz BNJDDEFOPREFMX-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414693855 386190504 /nfs/dbraw/zinc/19/05/04/386190504.db2.gz FLQYNEUBTOQCOP-VIFPVBQESA-N 2 1 200.282 0.363 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681952 386167744 /nfs/dbraw/zinc/16/77/44/386167744.db2.gz QELOQRSUYHVZFS-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP Cc1nccn1CC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164631924 386169104 /nfs/dbraw/zinc/16/91/04/386169104.db2.gz GZYFVPINCCNVSB-PWSUYJOCSA-N 2 1 223.320 0.894 20 0 BCADMP C[C@H]1C[N@@H+](CCCn2ccnc2)CC[C@@H]1O ZINC000164615917 386171122 /nfs/dbraw/zinc/17/11/22/386171122.db2.gz TUSJHCOMCVGYIA-RYUDHWBXSA-N 2 1 223.320 0.976 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000310379976 386180771 /nfs/dbraw/zinc/18/07/71/386180771.db2.gz BFCPWOVRGNCWOM-NEPJUHHUSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000310379976 386180773 /nfs/dbraw/zinc/18/07/73/386180773.db2.gz BFCPWOVRGNCWOM-NEPJUHHUSA-N 2 1 241.379 0.973 20 0 BCADMP Cn1cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000382368020 386141479 /nfs/dbraw/zinc/14/14/79/386141479.db2.gz XUGPSUYGOSFHCY-PHIMTYICSA-N 2 1 205.305 0.676 20 0 BCADMP Cn1cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000382368020 386141485 /nfs/dbraw/zinc/14/14/85/386141485.db2.gz XUGPSUYGOSFHCY-PHIMTYICSA-N 2 1 205.305 0.676 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674604 386142687 /nfs/dbraw/zinc/14/26/87/386142687.db2.gz KTMATUWTDPWKNR-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414671615 386142719 /nfs/dbraw/zinc/14/27/19/386142719.db2.gz GOCQVEQURMVVGF-UWVGGRQHSA-N 2 1 214.309 0.479 20 0 BCADMP COCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414699319 386202681 /nfs/dbraw/zinc/20/26/81/386202681.db2.gz SXEYOOPEIPSINP-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]1CN(CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000346980572 386203157 /nfs/dbraw/zinc/20/31/57/386203157.db2.gz LZZJIFJLCJDXJO-NEPJUHHUSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697228 386203145 /nfs/dbraw/zinc/20/31/45/386203145.db2.gz IHDABBOUCXOPNV-NWDGAFQWSA-N 2 1 244.379 0.297 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882199 386220330 /nfs/dbraw/zinc/22/03/30/386220330.db2.gz VLBVBYJFVDNYPF-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000647882199 386220340 /nfs/dbraw/zinc/22/03/40/386220340.db2.gz VLBVBYJFVDNYPF-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H]1SCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000132419598 386234427 /nfs/dbraw/zinc/23/44/27/386234427.db2.gz VRNGDZONYRYKGI-RYUDHWBXSA-N 2 1 243.420 0.717 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](CO)C1 ZINC000414696737 386195793 /nfs/dbraw/zinc/19/57/93/386195793.db2.gz QFJXZLQQGGPFJG-QWRGUYRKSA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](CO)C1 ZINC000414696737 386195798 /nfs/dbraw/zinc/19/57/98/386195798.db2.gz QFJXZLQQGGPFJG-QWRGUYRKSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@H](CC[NH3+])[NH2+]Cc1c(Cl)cnn1C ZINC000414901143 386298726 /nfs/dbraw/zinc/29/87/26/386298726.db2.gz WWGXFIVYRJIDRX-SSDOTTSWSA-N 2 1 216.716 0.900 20 0 BCADMP C[C@H](CNC(=O)NCCC[NH3+])[N@@H+](C)C1CC1 ZINC000417538070 386300384 /nfs/dbraw/zinc/30/03/84/386300384.db2.gz DAQZUNMVSWSOLW-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000331939157 386306760 /nfs/dbraw/zinc/30/67/60/386306760.db2.gz IFYBBNNQMNMZGZ-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CO ZINC000414738388 386316822 /nfs/dbraw/zinc/31/68/22/386316822.db2.gz JFOMKQQEJRTHJR-XQHKEYJVSA-N 2 1 226.364 0.935 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003761 386318989 /nfs/dbraw/zinc/31/89/89/386318989.db2.gz LFPWFBTZUGEKSG-GRYCIOLGSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336212308 386319902 /nfs/dbraw/zinc/31/99/02/386319902.db2.gz LYEHIYDHRPBSSL-CMPLNLGQSA-N 2 1 245.342 0.520 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416304074 386266064 /nfs/dbraw/zinc/26/60/64/386266064.db2.gz SYJIHDMIQNDVKG-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+](CC(=O)NCC1([NH+](C)C)CC1)C1CC1 ZINC000416308258 386269649 /nfs/dbraw/zinc/26/96/49/386269649.db2.gz PXLVJDDBEPRSEL-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](O)C[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336656820 386274044 /nfs/dbraw/zinc/27/40/44/386274044.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)C[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336656820 386274047 /nfs/dbraw/zinc/27/40/47/386274047.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)C[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336656820 386274048 /nfs/dbraw/zinc/27/40/48/386274048.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000335277582 386343195 /nfs/dbraw/zinc/34/31/95/386343195.db2.gz JPIFEZSAZVBGKN-WDEREUQCSA-N 2 1 208.309 0.557 20 0 BCADMP CCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000335277582 386343199 /nfs/dbraw/zinc/34/31/99/386343199.db2.gz JPIFEZSAZVBGKN-WDEREUQCSA-N 2 1 208.309 0.557 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335279044 386348540 /nfs/dbraw/zinc/34/85/40/386348540.db2.gz OSOIDVQKMKJLOR-DTWKUNHWSA-N 2 1 219.279 0.183 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000647989167 386349004 /nfs/dbraw/zinc/34/90/04/386349004.db2.gz SPANULKKJRBMBW-CMPLNLGQSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000647989167 386349009 /nfs/dbraw/zinc/34/90/09/386349009.db2.gz SPANULKKJRBMBW-CMPLNLGQSA-N 2 1 210.321 0.707 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000336688594 386350222 /nfs/dbraw/zinc/35/02/22/386350222.db2.gz GCFIWEWRJFPMRI-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000336688594 386350227 /nfs/dbraw/zinc/35/02/27/386350227.db2.gz GCFIWEWRJFPMRI-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@@H](CNC(=O)N(C)CC[NH3+])[N@@H+](C)C1CC1 ZINC000417548526 386352151 /nfs/dbraw/zinc/35/21/51/386352151.db2.gz IHPJOOYCKMTNHS-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000417552639 386358047 /nfs/dbraw/zinc/35/80/47/386358047.db2.gz RPPLYROXRBRKPY-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000417554557 386362680 /nfs/dbraw/zinc/36/26/80/386362680.db2.gz WITVKXQTRBXAGT-LPEHRKFASA-N 2 1 242.367 0.504 20 0 BCADMP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000417554558 386362766 /nfs/dbraw/zinc/36/27/66/386362766.db2.gz WITVKXQTRBXAGT-UTLUCORTSA-N 2 1 242.367 0.504 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890090 386366804 /nfs/dbraw/zinc/36/68/04/386366804.db2.gz PJYUTMWPUIFELU-MNOVXSKESA-N 2 1 225.336 0.183 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414742098 386326733 /nfs/dbraw/zinc/32/67/33/386326733.db2.gz NDDPGACTUJRPSF-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP C(C[N@H+]1CCOC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000647989152 386327355 /nfs/dbraw/zinc/32/73/55/386327355.db2.gz PJEAXKBJHDFDMP-ZDUSSCGKSA-N 2 1 239.363 0.002 20 0 BCADMP CC(C)[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647989069 386333539 /nfs/dbraw/zinc/33/35/39/386333539.db2.gz DFVHRAKVGXXLFH-VXGBXAGGSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647989069 386333543 /nfs/dbraw/zinc/33/35/43/386333543.db2.gz DFVHRAKVGXXLFH-VXGBXAGGSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647989068 386334126 /nfs/dbraw/zinc/33/41/26/386334126.db2.gz DFVHRAKVGXXLFH-RYUDHWBXSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647989068 386334129 /nfs/dbraw/zinc/33/41/29/386334129.db2.gz DFVHRAKVGXXLFH-RYUDHWBXSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275672 386335957 /nfs/dbraw/zinc/33/59/57/386335957.db2.gz CUHODPOUFLMUKJ-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H](N)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275672 386335965 /nfs/dbraw/zinc/33/59/65/386335965.db2.gz CUHODPOUFLMUKJ-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H](N)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275672 386335972 /nfs/dbraw/zinc/33/59/72/386335972.db2.gz CUHODPOUFLMUKJ-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP COC(=O)C(C)(C)CC[N@H+](C)C1CC([NH3+])C1 ZINC000414767887 386442526 /nfs/dbraw/zinc/44/25/26/386442526.db2.gz GXNGPCLHWMWRPI-UHFFFAOYSA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)C(C)(C)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000414767887 386442532 /nfs/dbraw/zinc/44/25/32/386442532.db2.gz GXNGPCLHWMWRPI-UHFFFAOYSA-N 2 1 228.336 0.997 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCc1nc(C)no1 ZINC000647992633 386447767 /nfs/dbraw/zinc/44/77/67/386447767.db2.gz VCXORHOXCGDNNR-UHFFFAOYSA-N 2 1 226.324 0.852 20 0 BCADMP [NH3+]CCOCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000647759997 386393625 /nfs/dbraw/zinc/39/36/25/386393625.db2.gz ZLWFGZRJTHVMSZ-UHFFFAOYSA-N 2 1 249.314 0.098 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000414755369 386394480 /nfs/dbraw/zinc/39/44/80/386394480.db2.gz HKMTWVRHUNSPQD-OUAUKWLOSA-N 2 1 200.326 0.815 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](O)C[C@H]1C ZINC000414755369 386394485 /nfs/dbraw/zinc/39/44/85/386394485.db2.gz HKMTWVRHUNSPQD-OUAUKWLOSA-N 2 1 200.326 0.815 20 0 BCADMP Cc1noc(CCC[NH+]2CCC([NH3+])CC2)n1 ZINC000339367764 386396570 /nfs/dbraw/zinc/39/65/70/386396570.db2.gz SSYDSYIQAFOWDL-UHFFFAOYSA-N 2 1 224.308 0.734 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417612732 386451322 /nfs/dbraw/zinc/45/13/22/386451322.db2.gz RQWPYSNQUWTAED-UHFFFAOYSA-N 2 1 244.383 0.755 20 0 BCADMP COC[C@H]1C[N@@H+](CCc2cncn2C)CCO1 ZINC000290156597 386400257 /nfs/dbraw/zinc/40/02/57/386400257.db2.gz XCSSECXTXZXAPV-GFCCVEGCSA-N 2 1 239.319 0.310 20 0 BCADMP COC[C@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000290156597 386400260 /nfs/dbraw/zinc/40/02/60/386400260.db2.gz XCSSECXTXZXAPV-GFCCVEGCSA-N 2 1 239.319 0.310 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417134108 386451817 /nfs/dbraw/zinc/45/18/17/386451817.db2.gz IFCKSPWQCDFMBE-DCAQKATOSA-N 2 1 240.351 0.260 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH2+]C ZINC000417591625 386416441 /nfs/dbraw/zinc/41/64/41/386416441.db2.gz XHIDJLFYXXKCQX-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CCn1nccc1C[N@H+](C)CCOCC[NH3+] ZINC000647991697 386420931 /nfs/dbraw/zinc/42/09/31/386420931.db2.gz ZHXZXVFDNQSSJC-UHFFFAOYSA-N 2 1 226.324 0.310 20 0 BCADMP CCn1nccc1C[N@@H+](C)CCOCC[NH3+] ZINC000647991697 386420936 /nfs/dbraw/zinc/42/09/36/386420936.db2.gz ZHXZXVFDNQSSJC-UHFFFAOYSA-N 2 1 226.324 0.310 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000211701217 386430693 /nfs/dbraw/zinc/43/06/93/386430693.db2.gz AWKZFUDBIYSRKO-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000417604105 386432713 /nfs/dbraw/zinc/43/27/13/386432713.db2.gz ATHOZHBQLCJDQO-NSHDSACASA-N 2 1 240.351 0.117 20 0 BCADMP C[C@@H](CNC(=O)NCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000417009697 386434913 /nfs/dbraw/zinc/43/49/13/386434913.db2.gz KOGPGJWXZHBBBY-QWRGUYRKSA-N 2 1 242.367 0.365 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774744 386470612 /nfs/dbraw/zinc/47/06/12/386470612.db2.gz FWJXRFOGCQDXQF-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000391591572 386471452 /nfs/dbraw/zinc/47/14/52/386471452.db2.gz FLRRSVHXQFANSW-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417284975 386472990 /nfs/dbraw/zinc/47/29/90/386472990.db2.gz KUNOOZNLAPPUAP-GHMZBOCLSA-N 2 1 242.367 0.363 20 0 BCADMP C[N@@H+](CCOCC1CC1)CCN1CC[NH2+]CC1 ZINC000094989543 386474393 /nfs/dbraw/zinc/47/43/93/386474393.db2.gz FZWVJZPDUATJLZ-UHFFFAOYSA-N 2 1 241.379 0.250 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)CO ZINC000339628243 386495134 /nfs/dbraw/zinc/49/51/34/386495134.db2.gz RYLLOOVBQUWUHL-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)CO ZINC000339628243 386495139 /nfs/dbraw/zinc/49/51/39/386495139.db2.gz RYLLOOVBQUWUHL-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)CO ZINC000339628243 386495145 /nfs/dbraw/zinc/49/51/45/386495145.db2.gz RYLLOOVBQUWUHL-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)CO ZINC000339628243 386495149 /nfs/dbraw/zinc/49/51/49/386495149.db2.gz RYLLOOVBQUWUHL-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000061458177 386513491 /nfs/dbraw/zinc/51/34/91/386513491.db2.gz CUZGLQHIHAJFGU-UHFFFAOYSA-N 2 1 211.353 0.624 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516949 /nfs/dbraw/zinc/51/69/49/386516949.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 1 208.309 0.887 20 0 BCADMP Cn1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1=O ZINC000647973121 386523312 /nfs/dbraw/zinc/52/33/12/386523312.db2.gz PQNVUHPZMQAWLY-LBPRGKRZSA-N 2 1 235.331 0.554 20 0 BCADMP Cn1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1=O ZINC000647973121 386523316 /nfs/dbraw/zinc/52/33/16/386523316.db2.gz PQNVUHPZMQAWLY-LBPRGKRZSA-N 2 1 235.331 0.554 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH2+]C)C1 ZINC000417236043 386464430 /nfs/dbraw/zinc/46/44/30/386464430.db2.gz DDDAPZWJIKMXIH-NSHDSACASA-N 2 1 242.367 0.237 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC1CCC1 ZINC000061458155 386466038 /nfs/dbraw/zinc/46/60/38/386466038.db2.gz LORPZJNUODCZBM-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647779675 386584632 /nfs/dbraw/zinc/58/46/32/386584632.db2.gz FJXNCHYODVLCEG-IJLUTSLNSA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000415081780 386598795 /nfs/dbraw/zinc/59/87/95/386598795.db2.gz NLBICQBYPBNGLB-NWDGAFQWSA-N 2 1 211.353 0.812 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417675168 386531039 /nfs/dbraw/zinc/53/10/39/386531039.db2.gz BHOMDPFKEPBHIS-VHSXEESVSA-N 2 1 240.351 0.260 20 0 BCADMP CCOc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415053701 386534795 /nfs/dbraw/zinc/53/47/95/386534795.db2.gz KLUVFVLOQIISJI-GFCCVEGCSA-N 2 1 238.331 0.837 20 0 BCADMP CCOc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415053701 386534802 /nfs/dbraw/zinc/53/48/02/386534802.db2.gz KLUVFVLOQIISJI-GFCCVEGCSA-N 2 1 238.331 0.837 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635498 386539669 /nfs/dbraw/zinc/53/96/69/386539669.db2.gz HFQKJMFNCBEQRD-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335467504 386556409 /nfs/dbraw/zinc/55/64/09/386556409.db2.gz SNGRTYWBEQANJQ-SKDRFNHKSA-N 2 1 243.326 0.287 20 0 BCADMP CC[N@@H+](CC(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000442718363 386556940 /nfs/dbraw/zinc/55/69/40/386556940.db2.gz LTGGHIVCLHGJJV-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP COC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199708 386556976 /nfs/dbraw/zinc/55/69/76/386556976.db2.gz ZVDSFQQCVNQLNV-NSHDSACASA-N 2 1 226.320 0.623 20 0 BCADMP C[N@@H+](CCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205441 386569946 /nfs/dbraw/zinc/56/99/46/386569946.db2.gz ZFTCZEDJGNXLOT-ZDUSSCGKSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000335409909 386572142 /nfs/dbraw/zinc/57/21/42/386572142.db2.gz QXTONCVAHVEWNB-VXGBXAGGSA-N 2 1 237.347 0.245 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335409909 386572148 /nfs/dbraw/zinc/57/21/48/386572148.db2.gz QXTONCVAHVEWNB-VXGBXAGGSA-N 2 1 237.347 0.245 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415113689 386619290 /nfs/dbraw/zinc/61/92/90/386619290.db2.gz XFCVSWRUDMQOCD-IVZWLZJFSA-N 2 1 214.309 0.526 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497321 386621073 /nfs/dbraw/zinc/62/10/73/386621073.db2.gz UZZWEBXSQDIWKV-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121452 386632481 /nfs/dbraw/zinc/63/24/81/386632481.db2.gz HJDMLURBAQDOKQ-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121452 386632487 /nfs/dbraw/zinc/63/24/87/386632487.db2.gz HJDMLURBAQDOKQ-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP COC(=O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415121043 386633482 /nfs/dbraw/zinc/63/34/82/386633482.db2.gz YVIDKWIAMGHILE-UWVGGRQHSA-N 2 1 228.336 0.916 20 0 BCADMP Cc1noc(CCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000647906744 386639808 /nfs/dbraw/zinc/63/98/08/386639808.db2.gz XZLQZXHQKYAXIL-ONGXEEELSA-N 2 1 238.335 0.980 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000493966381 533180520 /nfs/dbraw/zinc/18/05/20/533180520.db2.gz AGQBAYFGQSUNOF-JFGNBEQYSA-N 2 1 239.363 0.665 20 0 BCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000337195609 386646404 /nfs/dbraw/zinc/64/64/04/386646404.db2.gz WAVDAKLQGCRPRO-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647937765 386646397 /nfs/dbraw/zinc/64/63/97/386646397.db2.gz ATDXIXUVMQHJAT-CHWSQXEVSA-N 2 1 249.358 0.945 20 0 BCADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414805430 386604004 /nfs/dbraw/zinc/60/40/04/386604004.db2.gz YLOQWTTWHGKZEC-LBPRGKRZSA-N 2 1 235.331 0.858 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331445440 386605699 /nfs/dbraw/zinc/60/56/99/386605699.db2.gz IMXNWWYTPHVGJS-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954734 386682147 /nfs/dbraw/zinc/68/21/47/386682147.db2.gz UPHXJZGKZWLELD-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954734 386682154 /nfs/dbraw/zinc/68/21/54/386682154.db2.gz UPHXJZGKZWLELD-VXGBXAGGSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954734 386682159 /nfs/dbraw/zinc/68/21/59/386682159.db2.gz UPHXJZGKZWLELD-VXGBXAGGSA-N 2 1 211.353 0.657 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000335522584 386663738 /nfs/dbraw/zinc/66/37/38/386663738.db2.gz YONDDPAJULVSLD-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000428122906 386664002 /nfs/dbraw/zinc/66/40/02/386664002.db2.gz DBEQHMQBWZQDAE-PHIMTYICSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185060135 386666136 /nfs/dbraw/zinc/66/61/36/386666136.db2.gz IJORVWYXHBXQSA-TUAOUCFPSA-N 2 1 239.363 0.522 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000335478298 386704525 /nfs/dbraw/zinc/70/45/25/386704525.db2.gz SGUXHJQZDZYXHJ-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000335478298 386704531 /nfs/dbraw/zinc/70/45/31/386704531.db2.gz SGUXHJQZDZYXHJ-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000520604431 386705748 /nfs/dbraw/zinc/70/57/48/386705748.db2.gz SIJUDWZIILXGIR-SECBINFHSA-N 2 1 249.305 0.381 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000357202427 386736986 /nfs/dbraw/zinc/73/69/86/386736986.db2.gz QKSPVTKWDJXOAB-SNVBAGLBSA-N 2 1 215.341 0.429 20 0 BCADMP CCOC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357082358 386714277 /nfs/dbraw/zinc/71/42/77/386714277.db2.gz WOTSQFKZNDSPMF-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529702 386722488 /nfs/dbraw/zinc/72/24/88/386722488.db2.gz VBQRKEBWEQCDFM-LBPRGKRZSA-N 2 1 247.342 0.956 20 0 BCADMP CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414930086 386746411 /nfs/dbraw/zinc/74/64/11/386746411.db2.gz SLMWNKXGZVRGFH-WDEREUQCSA-N 2 1 249.362 0.902 20 0 BCADMP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414842037 386748562 /nfs/dbraw/zinc/74/85/62/386748562.db2.gz OSSLPOQBMOSACT-NEPJUHHUSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336664537 386761901 /nfs/dbraw/zinc/76/19/01/386761901.db2.gz PGSMVEUVBIHIBW-VIFPVBQESA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396581306 386777671 /nfs/dbraw/zinc/77/76/71/386777671.db2.gz FNGKJKFYVJINSR-OUAUKWLOSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000340814219 386780699 /nfs/dbraw/zinc/78/06/99/386780699.db2.gz HJCGZEVSFMLLOW-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000340814219 386780704 /nfs/dbraw/zinc/78/07/04/386780704.db2.gz HJCGZEVSFMLLOW-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000340814219 386780714 /nfs/dbraw/zinc/78/07/14/386780714.db2.gz HJCGZEVSFMLLOW-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCO)C1 ZINC000340861227 386789253 /nfs/dbraw/zinc/78/92/53/386789253.db2.gz BYXSDIRJLWOYEA-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000417854423 386802744 /nfs/dbraw/zinc/80/27/44/386802744.db2.gz JWSFPNGCBJQTNN-IVZWLZJFSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@H+]1C1CC1 ZINC000417859698 386804326 /nfs/dbraw/zinc/80/43/26/386804326.db2.gz SKEBKSSPYCZGOR-VHSXEESVSA-N 2 1 240.351 0.260 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334784412 386842700 /nfs/dbraw/zinc/84/27/00/386842700.db2.gz KDNGAKPNFIIEJH-JTQLQIEISA-N 2 1 226.320 0.623 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367285684 386852756 /nfs/dbraw/zinc/85/27/56/386852756.db2.gz FVQXFQDMHCZTEZ-BIIVOSGPSA-N 2 1 235.278 0.035 20 0 BCADMP C[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000331470823 386857818 /nfs/dbraw/zinc/85/78/18/386857818.db2.gz MJOLDJPKBULCTI-ZJUUUORDSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000331496169 386863763 /nfs/dbraw/zinc/86/37/63/386863763.db2.gz QEJAUSARJNTPON-ONGXEEELSA-N 2 1 240.351 0.212 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000334836657 386878780 /nfs/dbraw/zinc/87/87/80/386878780.db2.gz HPDIFYSOIYJQLD-OAHLLOKOSA-N 2 1 245.370 0.647 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331746175 386889889 /nfs/dbraw/zinc/88/98/89/386889889.db2.gz DBYOWNLCCYCFLU-GUBZILKMSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869593 386928292 /nfs/dbraw/zinc/92/82/92/386928292.db2.gz PMMKNUPFXMQKMH-DMOGRIERSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H](C[N@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869593 386928297 /nfs/dbraw/zinc/92/82/97/386928297.db2.gz PMMKNUPFXMQKMH-DMOGRIERSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869593 386928303 /nfs/dbraw/zinc/92/83/03/386928303.db2.gz PMMKNUPFXMQKMH-DMOGRIERSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871700 386932821 /nfs/dbraw/zinc/93/28/21/386932821.db2.gz ZPOJTERPCMMQRE-QKEWWQLBSA-N 2 1 212.337 0.830 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335833856 386934034 /nfs/dbraw/zinc/93/40/34/386934034.db2.gz WZFHLIPZGIILTB-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCC[NH2+]1 ZINC000332222330 386968565 /nfs/dbraw/zinc/96/85/65/386968565.db2.gz JMOGOXICZLBAEU-MVWJERBFSA-N 2 1 234.347 0.997 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000341826331 386968679 /nfs/dbraw/zinc/96/86/79/386968679.db2.gz RZSDEJLIWSQCGW-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](COC)C1 ZINC000518990832 386975839 /nfs/dbraw/zinc/97/58/39/386975839.db2.gz SONIKZUUODTDRB-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000334928495 387003160 /nfs/dbraw/zinc/00/31/60/387003160.db2.gz JDSFJOLAJFVGKW-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000334928493 387003336 /nfs/dbraw/zinc/00/33/36/387003336.db2.gz JDSFJOLAJFVGKW-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000116402435 386949846 /nfs/dbraw/zinc/94/98/46/386949846.db2.gz MVRJBRPVGLGUBL-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000116402435 386949854 /nfs/dbraw/zinc/94/98/54/386949854.db2.gz MVRJBRPVGLGUBL-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[N@@H+](C)C1CC1 ZINC000398996793 387037912 /nfs/dbraw/zinc/03/79/12/387037912.db2.gz PXYWFGSBMVYGOP-SKDRFNHKSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399002978 387039355 /nfs/dbraw/zinc/03/93/55/387039355.db2.gz UNPCSBYJPIQQGV-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399002980 387039627 /nfs/dbraw/zinc/03/96/27/387039627.db2.gz UNPCSBYJPIQQGV-VXGBXAGGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334959124 387040039 /nfs/dbraw/zinc/04/00/39/387040039.db2.gz RQFFTOLTWOAFFH-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP COCC[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313388939 387050593 /nfs/dbraw/zinc/05/05/93/387050593.db2.gz LWLHCIULHGENBD-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000648108007 387053453 /nfs/dbraw/zinc/05/34/53/387053453.db2.gz LGPUMLHALRWNFM-IRCOFANPSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000228005659 387059599 /nfs/dbraw/zinc/05/95/99/387059599.db2.gz XGJYCQVMMHGOCM-WDEREUQCSA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000228005659 387059603 /nfs/dbraw/zinc/05/96/03/387059603.db2.gz XGJYCQVMMHGOCM-WDEREUQCSA-N 2 1 227.352 0.380 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603389 387010119 /nfs/dbraw/zinc/01/01/19/387010119.db2.gz HQJUVOBLPZUWBX-NWDGAFQWSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333138458 387017903 /nfs/dbraw/zinc/01/79/03/387017903.db2.gz CRHFCXFVPZVQMZ-UWVGGRQHSA-N 2 1 240.351 0.130 20 0 BCADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000333241506 387023067 /nfs/dbraw/zinc/02/30/67/387023067.db2.gz DXKCCZZFZKISFM-NTZNESFSSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000648105652 387025193 /nfs/dbraw/zinc/02/51/93/387025193.db2.gz PAUZPEHVNUMZHC-IRCOFANPSA-N 2 1 239.363 0.522 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000519161762 387026419 /nfs/dbraw/zinc/02/64/19/387026419.db2.gz NARNVMNLDYRKFM-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949789 387028597 /nfs/dbraw/zinc/02/85/97/387028597.db2.gz BHHWLVGBIVJJMF-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](CO)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766760 387070925 /nfs/dbraw/zinc/07/09/25/387070925.db2.gz OROGFPDSAAVXBO-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@@H](CO)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766760 387070928 /nfs/dbraw/zinc/07/09/28/387070928.db2.gz OROGFPDSAAVXBO-NEPJUHHUSA-N 2 1 230.352 0.003 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC000111380511 387077380 /nfs/dbraw/zinc/07/73/80/387077380.db2.gz VZXPSVKZZXZLOY-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000111380511 387077385 /nfs/dbraw/zinc/07/73/85/387077385.db2.gz VZXPSVKZZXZLOY-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946155 387084854 /nfs/dbraw/zinc/08/48/54/387084854.db2.gz HAGHQLUWJOSNLK-NSHDSACASA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754228 387088098 /nfs/dbraw/zinc/08/80/98/387088098.db2.gz IYEBGZNVRJCUON-VHSXEESVSA-N 2 1 231.315 0.143 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000370180399 387094863 /nfs/dbraw/zinc/09/48/63/387094863.db2.gz CFSURQJVQQUEOZ-RYUDHWBXSA-N 2 1 248.330 0.292 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000067592183 387098029 /nfs/dbraw/zinc/09/80/29/387098029.db2.gz MTDKZGHOKVGNJF-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378627 387101418 /nfs/dbraw/zinc/10/14/18/387101418.db2.gz BTCBSAWKTGXHGI-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074259 387117458 /nfs/dbraw/zinc/11/74/58/387117458.db2.gz HDSXYVSZZGJDBG-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP O=C(N1CC[NH+](C2CCC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335026458 387119182 /nfs/dbraw/zinc/11/91/82/387119182.db2.gz BJDSLQAKYMWQOT-RISCZKNCSA-N 2 1 249.358 0.435 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000335030719 387125486 /nfs/dbraw/zinc/12/54/86/387125486.db2.gz PMRUEIDRIJRCAD-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP COCC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423319632 387161189 /nfs/dbraw/zinc/16/11/89/387161189.db2.gz CQBPAKHDWOSNJG-AAEUAGOBSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361258 387193094 /nfs/dbraw/zinc/19/30/94/387193094.db2.gz IACGHLWPEFFECB-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361258 387193097 /nfs/dbraw/zinc/19/30/97/387193097.db2.gz IACGHLWPEFFECB-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH3+])CO2 ZINC000423324289 387166993 /nfs/dbraw/zinc/16/69/93/387166993.db2.gz KMACUMBESZFMGM-MWLCHTKSSA-N 2 1 236.315 0.936 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327441 387170750 /nfs/dbraw/zinc/17/07/50/387170750.db2.gz RODRJMHAULVXKR-WQAKAFBOSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423327441 387170752 /nfs/dbraw/zinc/17/07/52/387170752.db2.gz RODRJMHAULVXKR-WQAKAFBOSA-N 2 1 223.364 0.796 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000062889606 387177133 /nfs/dbraw/zinc/17/71/33/387177133.db2.gz NLUQRDAWXDYXTK-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334055 387180528 /nfs/dbraw/zinc/18/05/28/387180528.db2.gz FLRPIYOICYVCBR-UHXUPSOCSA-N 2 1 249.358 0.481 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423333352 387181669 /nfs/dbraw/zinc/18/16/69/387181669.db2.gz FEPTWMQTNLBAGO-DTWKUNHWSA-N 2 1 221.295 0.701 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCO ZINC000371300062 387188872 /nfs/dbraw/zinc/18/88/72/387188872.db2.gz MOHHNBGQQNZEAW-GRYCIOLGSA-N 2 1 228.336 0.162 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423339244 387188911 /nfs/dbraw/zinc/18/89/11/387188911.db2.gz SESUAPDNPKRHAD-NWDGAFQWSA-N 2 1 241.379 0.437 20 0 BCADMP C[NH2+]CCCN1CC[C@@H](N2CCOCC2)C1 ZINC000062973802 387190668 /nfs/dbraw/zinc/19/06/68/387190668.db2.gz AKERNQVAZZFHDL-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP CCCCNC(=O)CC[N@H+](C)[C@H](CN)C1CC1 ZINC000359912876 387191434 /nfs/dbraw/zinc/19/14/34/387191434.db2.gz PPPZSWQENJOEKW-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000359912876 387191437 /nfs/dbraw/zinc/19/14/37/387191437.db2.gz PPPZSWQENJOEKW-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359912876 387191439 /nfs/dbraw/zinc/19/14/39/387191439.db2.gz PPPZSWQENJOEKW-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359912876 387191443 /nfs/dbraw/zinc/19/14/43/387191443.db2.gz PPPZSWQENJOEKW-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000643494840 387138179 /nfs/dbraw/zinc/13/81/79/387138179.db2.gz OQVNVLJWVYIVCK-SDDRHHMPSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1CCCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000643494841 387138367 /nfs/dbraw/zinc/13/83/67/387138367.db2.gz OQVNVLJWVYIVCK-SRVKXCTJSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H](C[NH3+])CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423305005 387139063 /nfs/dbraw/zinc/13/90/63/387139063.db2.gz ZXECVMNEDAPHCW-OUAUKWLOSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423305005 387139066 /nfs/dbraw/zinc/13/90/66/387139066.db2.gz ZXECVMNEDAPHCW-OUAUKWLOSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423350591 387202215 /nfs/dbraw/zinc/20/22/15/387202215.db2.gz ZUQTYGBNEVJGSZ-YUMQZZPRSA-N 2 1 207.268 0.311 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000353462406 387206627 /nfs/dbraw/zinc/20/66/27/387206627.db2.gz SIVMHVNTLDCSLO-HTQZYQBOSA-N 2 1 235.278 0.085 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000300418289 387209155 /nfs/dbraw/zinc/20/91/55/387209155.db2.gz MVMGRKJPDCPJBB-FVCCEPFGSA-N 2 1 244.379 0.966 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH3+] ZINC000418197161 387212832 /nfs/dbraw/zinc/21/28/32/387212832.db2.gz FHFMRCFPPQPCMW-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418192967 387213812 /nfs/dbraw/zinc/21/38/12/387213812.db2.gz BCKMOIDLTUGQHD-DCAQKATOSA-N 2 1 244.383 0.750 20 0 BCADMP CC[NH2+]CCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418203626 387216863 /nfs/dbraw/zinc/21/68/63/387216863.db2.gz VZTRKHDUXCSIIB-NSHDSACASA-N 2 1 244.383 0.624 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418205440 387219265 /nfs/dbraw/zinc/21/92/65/387219265.db2.gz ZBUMZDXOPBIUPR-QWRGUYRKSA-N 2 1 244.383 0.704 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@H](CC)Cn1cncn1 ZINC000423369428 387224040 /nfs/dbraw/zinc/22/40/40/387224040.db2.gz CADYUJSWFVGMHH-GHMZBOCLSA-N 2 1 225.340 0.644 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000423373128 387226787 /nfs/dbraw/zinc/22/67/87/387226787.db2.gz WIEDMVYGNDHTDW-JLLWLGSASA-N 2 1 212.337 0.999 20 0 BCADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H](C)C[NH3+] ZINC000423326312 387229141 /nfs/dbraw/zinc/22/91/41/387229141.db2.gz MMZKQGFCDHYBNR-MNOVXSKESA-N 2 1 210.325 0.845 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406600 387244395 /nfs/dbraw/zinc/24/43/95/387244395.db2.gz UWSRNFDRNCLUCI-WYUUTHIRSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406600 387244399 /nfs/dbraw/zinc/24/43/99/387244399.db2.gz UWSRNFDRNCLUCI-WYUUTHIRSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@H+]1C1CC1 ZINC000423419717 387248594 /nfs/dbraw/zinc/24/85/94/387248594.db2.gz AMHVNOFOUKLEGO-PUHVVEEASA-N 2 1 249.358 0.480 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CCC[NH2+]1 ZINC000423416506 387249296 /nfs/dbraw/zinc/24/92/96/387249296.db2.gz QTLFZUYTCRRDNM-FDYHWXHSSA-N 2 1 242.363 0.911 20 0 BCADMP COC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423426667 387251816 /nfs/dbraw/zinc/25/18/16/387251816.db2.gz NHBXVZFXCKLBOG-CHWSQXEVSA-N 2 1 242.363 0.770 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925934 387199096 /nfs/dbraw/zinc/19/90/96/387199096.db2.gz GECLJVVRVHDRKD-JTQLQIEISA-N 2 1 227.352 0.429 20 0 BCADMP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)[N@@H+](C)C1CC1 ZINC000423375546 387257315 /nfs/dbraw/zinc/25/73/15/387257315.db2.gz KSIXVRYBRZKVJQ-JTQLQIEISA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377567 387260727 /nfs/dbraw/zinc/26/07/27/387260727.db2.gz YZHOHFGNCYJXIX-WUHRBBMRSA-N 2 1 225.380 0.914 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684830 387269395 /nfs/dbraw/zinc/26/93/95/387269395.db2.gz HXSZYMGTOBRFEL-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684962 387270654 /nfs/dbraw/zinc/27/06/54/387270654.db2.gz PARJQVVLACRSEW-GMXVVIOVSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000645684814 387270748 /nfs/dbraw/zinc/27/07/48/387270748.db2.gz HCSXGRKUJOKGLN-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423385899 387270847 /nfs/dbraw/zinc/27/08/47/387270847.db2.gz RJMZQJNAORTLFE-OSMZGAPFSA-N 2 1 249.358 0.434 20 0 BCADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000643498948 387278428 /nfs/dbraw/zinc/27/84/28/387278428.db2.gz ZSCLVFMNUXPRJV-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000643498948 387278433 /nfs/dbraw/zinc/27/84/33/387278433.db2.gz ZSCLVFMNUXPRJV-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000643498948 387278436 /nfs/dbraw/zinc/27/84/36/387278436.db2.gz ZSCLVFMNUXPRJV-NWDGAFQWSA-N 3 1 213.369 0.916 20 0 BCADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H](C)C[NH3+] ZINC000423393945 387279064 /nfs/dbraw/zinc/27/90/64/387279064.db2.gz MMZKQGFCDHYBNR-QWRGUYRKSA-N 2 1 210.325 0.845 20 0 BCADMP COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)OC)CCC[NH2+]1 ZINC000423431458 387284190 /nfs/dbraw/zinc/28/41/90/387284190.db2.gz QOMOOJOCCCPYFV-QJPTWQEYSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423438096 387287792 /nfs/dbraw/zinc/28/77/92/387287792.db2.gz GTKOIQLCEFAWHK-NAKRPEOUSA-N 2 1 211.353 0.937 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000514797902 387294089 /nfs/dbraw/zinc/29/40/89/387294089.db2.gz GWKYERUCJVYVSD-GXSJLCMTSA-N 2 1 225.336 0.289 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000514797902 387294094 /nfs/dbraw/zinc/29/40/94/387294094.db2.gz GWKYERUCJVYVSD-GXSJLCMTSA-N 2 1 225.336 0.289 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423530285 387359641 /nfs/dbraw/zinc/35/96/41/387359641.db2.gz YTHMCPWGTZDFCU-RWMBFGLXSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533050 387360815 /nfs/dbraw/zinc/36/08/15/387360815.db2.gz WMQFHUKSALWMGR-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423533050 387360820 /nfs/dbraw/zinc/36/08/20/387360820.db2.gz WMQFHUKSALWMGR-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533051 387361888 /nfs/dbraw/zinc/36/18/88/387361888.db2.gz WMQFHUKSALWMGR-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423533051 387361895 /nfs/dbraw/zinc/36/18/95/387361895.db2.gz WMQFHUKSALWMGR-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@](C)([NH2+]CCn1cc[nH+]c1C)C(N)=O ZINC000303492058 387363258 /nfs/dbraw/zinc/36/32/58/387363258.db2.gz JANVLTOKFIBUDT-NSHDSACASA-N 2 1 224.308 0.435 20 0 BCADMP CCC[C@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000423550323 387372731 /nfs/dbraw/zinc/37/27/31/387372731.db2.gz SUKDXJMHOODXBU-MRVPVSSYSA-N 2 1 237.294 0.427 20 0 BCADMP O=C1OCC[C@H]2CC[N@H+](CCn3ccnc3)[C@H]12 ZINC000373449275 387373480 /nfs/dbraw/zinc/37/34/80/387373480.db2.gz UJGSZCCPSDJXNS-MNOVXSKESA-N 2 1 235.287 0.521 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000515433138 387378721 /nfs/dbraw/zinc/37/87/21/387378721.db2.gz PLUDJLZUNSMFFA-GIPNMCIBSA-N 2 1 239.363 0.535 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000515433138 387378725 /nfs/dbraw/zinc/37/87/25/387378725.db2.gz PLUDJLZUNSMFFA-GIPNMCIBSA-N 2 1 239.363 0.535 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000515433137 387379723 /nfs/dbraw/zinc/37/97/23/387379723.db2.gz PLUDJLZUNSMFFA-GBIKHYSHSA-N 2 1 239.363 0.535 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000515433137 387379730 /nfs/dbraw/zinc/37/97/30/387379730.db2.gz PLUDJLZUNSMFFA-GBIKHYSHSA-N 2 1 239.363 0.535 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396672020 387381958 /nfs/dbraw/zinc/38/19/58/387381958.db2.gz RTEUDFRQKHRXLM-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483815 387329938 /nfs/dbraw/zinc/32/99/38/387329938.db2.gz RRONOWMVPUMXDN-OUAUKWLOSA-N 2 1 247.333 0.913 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373028085 387342003 /nfs/dbraw/zinc/34/20/03/387342003.db2.gz HZKLTHUXYXVSKW-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000423506616 387345581 /nfs/dbraw/zinc/34/55/81/387345581.db2.gz HIJZTCPXTFEJDS-NEPJUHHUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1(C)CC1 ZINC000423509762 387346143 /nfs/dbraw/zinc/34/61/43/387346143.db2.gz JFKSSZPCZWEZKE-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP CC[NH2+]CCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000515220955 387346928 /nfs/dbraw/zinc/34/69/28/387346928.db2.gz KBQAQMWEDJACKD-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C ZINC000423781837 387425791 /nfs/dbraw/zinc/42/57/91/387425791.db2.gz YAVXCWFQFABDLM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000423802571 387430092 /nfs/dbraw/zinc/43/00/92/387430092.db2.gz OPGVFLHQJYPYPJ-VXGBXAGGSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423840443 387433988 /nfs/dbraw/zinc/43/39/88/387433988.db2.gz DZSSKZIKBDKREK-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[NH2+]CC1CC1 ZINC000423844113 387434165 /nfs/dbraw/zinc/43/41/65/387434165.db2.gz ISLKGOANZYKLAG-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423838219 387435287 /nfs/dbraw/zinc/43/52/87/387435287.db2.gz BQYCUXYCZVAAOU-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423856005 387437182 /nfs/dbraw/zinc/43/71/82/387437182.db2.gz XVQMHFXLSQNOJO-VIFPVBQESA-N 2 1 213.325 0.276 20 0 BCADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000423852164 387438262 /nfs/dbraw/zinc/43/82/62/387438262.db2.gz SBTKVUXVJVASHW-JTQLQIEISA-N 2 1 243.376 0.202 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000423852164 387438267 /nfs/dbraw/zinc/43/82/67/387438267.db2.gz SBTKVUXVJVASHW-JTQLQIEISA-N 2 1 243.376 0.202 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000121975025 387443649 /nfs/dbraw/zinc/44/36/49/387443649.db2.gz QHNQAGVUQHROHU-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H](O)CCC[N@@H+](C)C1CCN(CCO)CC1 ZINC000354902841 387444008 /nfs/dbraw/zinc/44/40/08/387444008.db2.gz XOJOQPLDFRAFMJ-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000336616473 387457202 /nfs/dbraw/zinc/45/72/02/387457202.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000336616473 387457205 /nfs/dbraw/zinc/45/72/05/387457205.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000336616473 387457207 /nfs/dbraw/zinc/45/72/07/387457207.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 2 1 237.347 0.316 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423974746 387459781 /nfs/dbraw/zinc/45/97/81/387459781.db2.gz LDFILNOEFPLSRH-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000648123957 387415439 /nfs/dbraw/zinc/41/54/39/387415439.db2.gz MSNCVYZLNSGHKO-IRCOFANPSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)C[NH3+] ZINC000423767080 387417655 /nfs/dbraw/zinc/41/76/55/387417655.db2.gz DFHOMABPLBNIIR-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])COC ZINC000423766266 387418253 /nfs/dbraw/zinc/41/82/53/387418253.db2.gz CNONGOCYLJKMIJ-WDEREUQCSA-N 2 1 245.367 0.197 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423771457 387420490 /nfs/dbraw/zinc/42/04/90/387420490.db2.gz INOYVBUXIONBEA-WOPDTQHZSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCC[NH3+] ZINC000423771732 387420641 /nfs/dbraw/zinc/42/06/41/387420641.db2.gz IXNXMZCUDBJAEC-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423778011 387422880 /nfs/dbraw/zinc/42/28/80/387422880.db2.gz SHYPKSZCTXHWTL-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000336598935 387423135 /nfs/dbraw/zinc/42/31/35/387423135.db2.gz VFFQAQAGCVKUEH-JTQLQIEISA-N 2 1 233.315 0.860 20 0 BCADMP C[C@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474901 387496672 /nfs/dbraw/zinc/49/66/72/387496672.db2.gz MDAMZZNTSZATSU-CYDGBPFRSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474901 387496676 /nfs/dbraw/zinc/49/66/76/387496676.db2.gz MDAMZZNTSZATSU-CYDGBPFRSA-N 2 1 241.379 0.436 20 0 BCADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422015502 387537642 /nfs/dbraw/zinc/53/76/42/387537642.db2.gz FORQTEIMHFCDQE-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361505572 387474050 /nfs/dbraw/zinc/47/40/50/387474050.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H](O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000361505572 387474055 /nfs/dbraw/zinc/47/40/55/387474055.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H](O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000361505572 387474058 /nfs/dbraw/zinc/47/40/58/387474058.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H](O)C[NH+](C)CCC[N@H+](C)C[C@H](C)O ZINC000361515498 387475971 /nfs/dbraw/zinc/47/59/71/387475971.db2.gz XXTVCFLAYYEBCJ-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000304437644 387479673 /nfs/dbraw/zinc/47/96/73/387479673.db2.gz URNWZZSMETZMPP-VXGBXAGGSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643474570 387491784 /nfs/dbraw/zinc/49/17/84/387491784.db2.gz QEKDJEFPFMZLLK-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643474570 387491789 /nfs/dbraw/zinc/49/17/89/387491789.db2.gz QEKDJEFPFMZLLK-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422710689 387623166 /nfs/dbraw/zinc/62/31/66/387623166.db2.gz LWRFDONBPSIFBT-NNYUYHANSA-N 2 1 214.353 0.981 20 0 BCADMP C[N@@H+](CCCN1CCOCC1)CC(C)(C)C[NH3+] ZINC000430595226 387629751 /nfs/dbraw/zinc/62/97/51/387629751.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 2 1 243.395 0.625 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712695 387626114 /nfs/dbraw/zinc/62/61/14/387626114.db2.gz ONTIPHKYGIMELX-RWMBFGLXSA-N 2 1 243.395 0.813 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422712695 387626115 /nfs/dbraw/zinc/62/61/15/387626115.db2.gz ONTIPHKYGIMELX-RWMBFGLXSA-N 2 1 243.395 0.813 20 0 BCADMP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000422038869 387545739 /nfs/dbraw/zinc/54/57/39/387545739.db2.gz QSDGLYUZQHBILJ-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@@H+](Cc1cccs1)C[C@@H](O)C[NH3+] ZINC000035717297 387553373 /nfs/dbraw/zinc/55/33/73/387553373.db2.gz CWKCUZCCZBHCAQ-QMMMGPOBSA-N 2 1 200.307 0.500 20 0 BCADMP C[N@H+](Cc1cccs1)C[C@@H](O)C[NH3+] ZINC000035717297 387553376 /nfs/dbraw/zinc/55/33/76/387553376.db2.gz CWKCUZCCZBHCAQ-QMMMGPOBSA-N 2 1 200.307 0.500 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000430548573 387627122 /nfs/dbraw/zinc/62/71/22/387627122.db2.gz CEESHXKSFUHDCI-LBPRGKRZSA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000430548573 387627126 /nfs/dbraw/zinc/62/71/26/387627126.db2.gz CEESHXKSFUHDCI-LBPRGKRZSA-N 2 1 239.363 0.858 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399654589 387561938 /nfs/dbraw/zinc/56/19/38/387561938.db2.gz NZMMKZAVNGTHKS-NWDGAFQWSA-N 2 1 241.379 0.770 20 0 BCADMP Cn1nccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037648936 387564629 /nfs/dbraw/zinc/56/46/29/387564629.db2.gz YDNFVFFGYPJARW-LLVKDONJSA-N 2 1 234.347 0.994 20 0 BCADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037648936 387564634 /nfs/dbraw/zinc/56/46/34/387564634.db2.gz YDNFVFFGYPJARW-LLVKDONJSA-N 2 1 234.347 0.994 20 0 BCADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037648936 387564637 /nfs/dbraw/zinc/56/46/37/387564637.db2.gz YDNFVFFGYPJARW-LLVKDONJSA-N 2 1 234.347 0.994 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387631000 /nfs/dbraw/zinc/63/10/00/387631000.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP CCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387631005 /nfs/dbraw/zinc/63/10/05/387631005.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@](C[NH3+])([NH2+]CCCN1CCOCC1)C1CC1 ZINC000430583135 387630992 /nfs/dbraw/zinc/63/09/92/387630992.db2.gz MEUAINKKWDURFJ-CYBMUJFWSA-N 2 1 241.379 0.426 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1ccnc1 ZINC000422728314 387637454 /nfs/dbraw/zinc/63/74/54/387637454.db2.gz FTORYXIBJNHYEB-NEPJUHHUSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422734821 387643269 /nfs/dbraw/zinc/64/32/69/387643269.db2.gz CZZGNRMMELYPSI-GRYCIOLGSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000430731443 387645239 /nfs/dbraw/zinc/64/52/39/387645239.db2.gz LVBNKVMNTYAYCI-JTQLQIEISA-N 2 1 236.319 0.655 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCCC[C@H]1C ZINC000430742261 387647262 /nfs/dbraw/zinc/64/72/62/387647262.db2.gz LESPMRXLXYXVSP-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000125253041 387648113 /nfs/dbraw/zinc/64/81/13/387648113.db2.gz DOQZBQIDZFEGDS-XQQFMLRXSA-N 2 1 234.347 0.979 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)C[C@@H]1C ZINC000430796238 387651088 /nfs/dbraw/zinc/65/10/88/387651088.db2.gz KBFMNTYSUZPYOJ-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000430795861 387651891 /nfs/dbraw/zinc/65/18/91/387651891.db2.gz IMXCEHWTVWYABR-GMTAPVOTSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH3+])CC[N@H+]1C ZINC000430792118 387652678 /nfs/dbraw/zinc/65/26/78/387652678.db2.gz HCKXFQYXZJCXNL-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430899585 387659578 /nfs/dbraw/zinc/65/95/78/387659578.db2.gz MECWOTGCYAKNGR-KOLCDFICSA-N 2 1 225.336 0.419 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422758175 387660430 /nfs/dbraw/zinc/66/04/30/387660430.db2.gz NPYYBIWORGQOPP-WOPDTQHZSA-N 2 1 211.353 0.940 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422757857 387661665 /nfs/dbraw/zinc/66/16/65/387661665.db2.gz IIOPZVADWQHJKI-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424136580 387662399 /nfs/dbraw/zinc/66/23/99/387662399.db2.gz QYHUYVKBHFQNOJ-AXFHLTTASA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](CN)[N@H+](C)CCC(=O)NC1CCCC1 ZINC000430970213 387665073 /nfs/dbraw/zinc/66/50/73/387665073.db2.gz GNGPAJYTVYKOHH-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968668 387666482 /nfs/dbraw/zinc/66/64/82/387666482.db2.gz ATTUKYNWUPOYQR-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000430973720 387666546 /nfs/dbraw/zinc/66/65/46/387666546.db2.gz YRROKPNQNBLANI-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP C[NH2+]C1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000430973720 387666548 /nfs/dbraw/zinc/66/65/48/387666548.db2.gz YRROKPNQNBLANI-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000422765328 387666673 /nfs/dbraw/zinc/66/66/73/387666673.db2.gz OVSFSHHCVITDHH-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137770 387667278 /nfs/dbraw/zinc/66/72/78/387667278.db2.gz SMTQZIZDAOCPDS-MXWKQRLJSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424137958 387667797 /nfs/dbraw/zinc/66/77/97/387667797.db2.gz CQJOTKRCHNQRGG-WISYIIOYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023861 387670057 /nfs/dbraw/zinc/67/00/57/387670057.db2.gz JHTUYAPGDSKJPT-ZMLRMANQSA-N 2 1 237.347 0.337 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431022917 387671312 /nfs/dbraw/zinc/67/13/12/387671312.db2.gz FXJAPMRBBGQPIO-JBLDHEPKSA-N 2 1 239.363 0.441 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431022918 387671420 /nfs/dbraw/zinc/67/14/20/387671420.db2.gz FXJAPMRBBGQPIO-NHCYSSNCSA-N 2 1 239.363 0.441 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023872 387671593 /nfs/dbraw/zinc/67/15/93/387671593.db2.gz JIKYCUZHMPWJJC-MWLCHTKSSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH3+])C1 ZINC000431062283 387675188 /nfs/dbraw/zinc/67/51/88/387675188.db2.gz OWVPERCRURIVJY-AAEUAGOBSA-N 2 1 247.342 0.897 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](O)[C@H]2CCCO2)CC1 ZINC000527757037 387696313 /nfs/dbraw/zinc/69/63/13/387696313.db2.gz CEUREVWRWBVKRK-NWDGAFQWSA-N 2 1 228.336 0.210 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422786547 387687341 /nfs/dbraw/zinc/68/73/41/387687341.db2.gz SMAFJRYAVKQAPL-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000422876878 387756144 /nfs/dbraw/zinc/75/61/44/387756144.db2.gz QVUUYRYAZREPTG-MGAJPHDKSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422876878 387756148 /nfs/dbraw/zinc/75/61/48/387756148.db2.gz QVUUYRYAZREPTG-MGAJPHDKSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862209 387743297 /nfs/dbraw/zinc/74/32/97/387743297.db2.gz PISMDUHMYFMUJG-VXGBXAGGSA-N 2 1 225.380 0.916 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377739765 387745472 /nfs/dbraw/zinc/74/54/72/387745472.db2.gz BPQSCDIRBPWXKG-NEPJUHHUSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422865987 387746773 /nfs/dbraw/zinc/74/67/73/387746773.db2.gz ZSBUBHFNCMYSGA-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422865988 387747391 /nfs/dbraw/zinc/74/73/91/387747391.db2.gz ZSBUBHFNCMYSGA-XQQFMLRXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000422872948 387751466 /nfs/dbraw/zinc/75/14/66/387751466.db2.gz JHGVLCJWBNEHCL-AGIUHOORSA-N 2 1 242.363 0.770 20 0 BCADMP CC[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000422875912 387751706 /nfs/dbraw/zinc/75/17/06/387751706.db2.gz DKYISKXJWZSAJT-RYUDHWBXSA-N 2 1 211.353 0.940 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367788569 387751746 /nfs/dbraw/zinc/75/17/46/387751746.db2.gz BRPJDCROGODEIQ-ITGUQSILSA-N 2 1 226.364 0.888 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367788569 387751750 /nfs/dbraw/zinc/75/17/50/387751750.db2.gz BRPJDCROGODEIQ-ITGUQSILSA-N 2 1 226.364 0.888 20 0 BCADMP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000377346118 387710215 /nfs/dbraw/zinc/71/02/15/387710215.db2.gz ONHCLKRDISVZSR-CABZTGNLSA-N 2 1 243.326 0.287 20 0 BCADMP CC(C[NH+](C)CCCO)C[N@@H+](C)CCCO ZINC000440946161 387713503 /nfs/dbraw/zinc/71/35/03/387713503.db2.gz FDRXBLGLCXAIJY-UHFFFAOYSA-N 2 1 232.368 0.251 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC000356806192 387724847 /nfs/dbraw/zinc/72/48/47/387724847.db2.gz MNKUVUROOVUGTD-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000356806192 387724852 /nfs/dbraw/zinc/72/48/52/387724852.db2.gz MNKUVUROOVUGTD-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000356806192 387724859 /nfs/dbraw/zinc/72/48/59/387724859.db2.gz MNKUVUROOVUGTD-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367617560 387734822 /nfs/dbraw/zinc/73/48/22/387734822.db2.gz QPEUVYMFDYCPGN-WUHRBBMRSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000422848606 387734996 /nfs/dbraw/zinc/73/49/96/387734996.db2.gz AXYINMFMNVBZLU-GMTAPVOTSA-N 2 1 209.337 0.563 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000422876877 387756126 /nfs/dbraw/zinc/75/61/26/387756126.db2.gz QVUUYRYAZREPTG-JHEVNIALSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422876877 387756130 /nfs/dbraw/zinc/75/61/30/387756130.db2.gz QVUUYRYAZREPTG-JHEVNIALSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422897773 387766508 /nfs/dbraw/zinc/76/65/08/387766508.db2.gz CSTRFOWYWHOWTK-WOPDTQHZSA-N 2 1 211.353 0.811 20 0 BCADMP CO[C@H](C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422908128 387769787 /nfs/dbraw/zinc/76/97/87/387769787.db2.gz YEZOYEGRLXVDIG-HBNTYKKESA-N 2 1 200.326 0.999 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912881 387770573 /nfs/dbraw/zinc/77/05/73/387770573.db2.gz XFUKMAGYOADBTD-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912881 387770577 /nfs/dbraw/zinc/77/05/77/387770577.db2.gz XFUKMAGYOADBTD-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912882 387772005 /nfs/dbraw/zinc/77/20/05/387772005.db2.gz XFUKMAGYOADBTD-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912882 387772009 /nfs/dbraw/zinc/77/20/09/387772009.db2.gz XFUKMAGYOADBTD-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424147501 387781864 /nfs/dbraw/zinc/78/18/64/387781864.db2.gz RHSKWGZVOTWLLL-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC[N@H+]1C ZINC000527958147 387784920 /nfs/dbraw/zinc/78/49/20/387784920.db2.gz UZGDUKBZNPFVMZ-LPWJVIDDSA-N 2 1 242.363 0.599 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422979523 387789073 /nfs/dbraw/zinc/78/90/73/387789073.db2.gz MYXMJFBVCZUYSP-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422981412 387790781 /nfs/dbraw/zinc/79/07/81/387790781.db2.gz SQCPPXZBDDLUAM-DCAQKATOSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422980508 387791129 /nfs/dbraw/zinc/79/11/29/387791129.db2.gz PYVHPKBOPBRCRQ-USWWRNFRSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000422980741 387791702 /nfs/dbraw/zinc/79/17/02/387791702.db2.gz QWMDVSCRIZEQGF-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422982681 387793596 /nfs/dbraw/zinc/79/35/96/387793596.db2.gz XOAKQLNBINAYNU-IJLUTSLNSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982686 387794111 /nfs/dbraw/zinc/79/41/11/387794111.db2.gz XOALQIKERPSRCO-USWWRNFRSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCC[NH2+]1 ZINC000422989664 387797913 /nfs/dbraw/zinc/79/79/13/387797913.db2.gz BAOXZNSLGUJVMU-AXFHLTTASA-N 2 1 230.377 0.585 20 0 BCADMP CC[C@@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422988853 387798840 /nfs/dbraw/zinc/79/88/40/387798840.db2.gz ACNQGZDLBJJYEN-GRYCIOLGSA-N 2 1 244.404 0.975 20 0 BCADMP CSCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422988362 387798936 /nfs/dbraw/zinc/79/89/36/387798936.db2.gz IUYQUOPLVVOOCC-AXFHLTTASA-N 2 1 232.393 0.831 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422991368 387799487 /nfs/dbraw/zinc/79/94/87/387799487.db2.gz PMVUFIRJMVUZMH-OUAUKWLOSA-N 2 1 200.326 0.591 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CO)[C@H](C)C1 ZINC000151174599 387806388 /nfs/dbraw/zinc/80/63/88/387806388.db2.gz BYPJZLPKGFKBCN-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528023091 387828677 /nfs/dbraw/zinc/82/86/77/387828677.db2.gz DIKCUNGSEGAYKB-JQWIXIFHSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423007402 387830058 /nfs/dbraw/zinc/83/00/58/387830058.db2.gz QRBKDABNUMECKD-GMTAPVOTSA-N 2 1 200.326 0.733 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](CC)[C@H]1CCCC[NH2+]1 ZINC000423011702 387833467 /nfs/dbraw/zinc/83/34/67/387833467.db2.gz ZVSBTFNXJJDMGN-JHJVBQTASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CCC1 ZINC000442767803 387835084 /nfs/dbraw/zinc/83/50/84/387835084.db2.gz RRMPSDRRNMZQJT-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1CCC1 ZINC000442767803 387835086 /nfs/dbraw/zinc/83/50/86/387835086.db2.gz RRMPSDRRNMZQJT-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423015045 387839523 /nfs/dbraw/zinc/83/95/23/387839523.db2.gz QFYIXEAIFWMESP-VXGBXAGGSA-N 2 1 241.379 0.736 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000442789397 387841227 /nfs/dbraw/zinc/84/12/27/387841227.db2.gz ZDJJHNMMPUEHIM-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000528120933 387842315 /nfs/dbraw/zinc/84/23/15/387842315.db2.gz ZWQCFIDNIAMGEG-LLVKDONJSA-N 2 1 236.319 0.259 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000528120933 387842319 /nfs/dbraw/zinc/84/23/19/387842319.db2.gz ZWQCFIDNIAMGEG-LLVKDONJSA-N 2 1 236.319 0.259 20 0 BCADMP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423072856 387873859 /nfs/dbraw/zinc/87/38/59/387873859.db2.gz QDVUCOOEBUHNII-OLZOCXBDSA-N 3 1 243.395 0.685 20 0 BCADMP CC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038154 387850682 /nfs/dbraw/zinc/85/06/82/387850682.db2.gz NUIGICMBSWROHH-AVGNSLFASA-N 2 1 241.379 0.173 20 0 BCADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423036927 387850904 /nfs/dbraw/zinc/85/09/04/387850904.db2.gz LZCRFEWRGHMBJQ-FDYHWXHSSA-N 2 1 242.363 0.911 20 0 BCADMP CCn1ccnc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193630827 387858675 /nfs/dbraw/zinc/85/86/75/387858675.db2.gz RHLYVFXDLIMFLK-TXEJJXNPSA-N 2 1 234.347 0.896 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC000193639004 387859559 /nfs/dbraw/zinc/85/95/59/387859559.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 1 237.347 0.102 20 0 BCADMP COC(=O)CCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193610142 387859587 /nfs/dbraw/zinc/85/95/87/387859587.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610142 387859591 /nfs/dbraw/zinc/85/95/91/387859591.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610142 387859594 /nfs/dbraw/zinc/85/95/94/387859594.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193610142 387859598 /nfs/dbraw/zinc/85/95/98/387859598.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)O ZINC000423060765 387864579 /nfs/dbraw/zinc/86/45/79/387864579.db2.gz IVCDHUKZLGXLAA-UWVGGRQHSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]1CC[C@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)O1 ZINC000313335802 387871023 /nfs/dbraw/zinc/87/10/23/387871023.db2.gz BSVHGJTVEPWUPX-IJLUTSLNSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)O1 ZINC000313335807 387871098 /nfs/dbraw/zinc/87/10/98/387871098.db2.gz BSVHGJTVEPWUPX-WOPDTQHZSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@H](N)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659115 387814581 /nfs/dbraw/zinc/81/45/81/387814581.db2.gz KIFSBHQEBKEIOP-RYUDHWBXSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@H]([NH3+])CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659115 387814588 /nfs/dbraw/zinc/81/45/88/387814588.db2.gz KIFSBHQEBKEIOP-RYUDHWBXSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392920132 387815722 /nfs/dbraw/zinc/81/57/22/387815722.db2.gz JGEMSQDTPUVQTA-WDEREUQCSA-N 2 1 225.336 0.348 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422968137 387815934 /nfs/dbraw/zinc/81/59/34/387815934.db2.gz QKSGRAQFYVCLCC-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000442660100 387817808 /nfs/dbraw/zinc/81/78/08/387817808.db2.gz LYCAJYHXLQJNHZ-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000442660100 387817812 /nfs/dbraw/zinc/81/78/12/387817812.db2.gz LYCAJYHXLQJNHZ-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[C@@H](O)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000432820799 387818938 /nfs/dbraw/zinc/81/89/38/387818938.db2.gz UAYAGNLAOWBUOJ-ZDUSSCGKSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422970010 387819242 /nfs/dbraw/zinc/81/92/42/387819242.db2.gz DWMKCESLFHXIGC-YNEHKIRRSA-N 2 1 244.379 0.750 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123105 387903340 /nfs/dbraw/zinc/90/33/40/387903340.db2.gz MATQISLUGOKDNN-WDEREUQCSA-N 2 1 213.369 0.913 20 0 BCADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000077403795 387908609 /nfs/dbraw/zinc/90/86/09/387908609.db2.gz GCNVGYZWPAXRAC-CQSZACIVSA-N 2 1 246.358 0.561 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423154218 387932603 /nfs/dbraw/zinc/93/26/03/387932603.db2.gz IWHUPDQEDUYTPX-GMTAPVOTSA-N 2 1 227.352 0.631 20 0 BCADMP COC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000237238676 387925516 /nfs/dbraw/zinc/92/55/16/387925516.db2.gz HTPNAKABNQRDER-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148842 387927788 /nfs/dbraw/zinc/92/77/88/387927788.db2.gz WRHMMDDWGQXUBF-JHJVBQTASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1CCOCC[NH3+])CC[NH2+]CC2 ZINC000424284607 387952752 /nfs/dbraw/zinc/95/27/52/387952752.db2.gz DHOJYCUAEIGPIO-GFCCVEGCSA-N 3 1 241.379 0.426 20 0 BCADMP Cc1cnc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000423168906 387955266 /nfs/dbraw/zinc/95/52/66/387955266.db2.gz VIGHPBWOYPQGNS-ZWNOBZJWSA-N 2 1 234.347 0.915 20 0 BCADMP OCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156386281 387965290 /nfs/dbraw/zinc/96/52/90/387965290.db2.gz XLGCSEPYNSGVHR-NSHDSACASA-N 2 1 208.261 0.527 20 0 BCADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC[NH3+] ZINC000423191878 387975809 /nfs/dbraw/zinc/97/58/09/387975809.db2.gz TVVPNBGBRMIBCB-GFCCVEGCSA-N 2 1 249.358 0.672 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000424369638 387995293 /nfs/dbraw/zinc/99/52/93/387995293.db2.gz CUCUPIPWZCJSPT-BDAKNGLRSA-N 2 1 249.305 0.345 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645814148 387985764 /nfs/dbraw/zinc/98/57/64/387985764.db2.gz XPFTUCOMMYAYEM-JTQLQIEISA-N 2 1 236.319 0.306 20 0 BCADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000423217337 387999098 /nfs/dbraw/zinc/99/90/98/387999098.db2.gz RVGJZHMMKHWUAN-CMPLNLGQSA-N 2 1 235.331 0.973 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423222219 388001145 /nfs/dbraw/zinc/00/11/45/388001145.db2.gz AGGZSVGZUHACJC-DCAQKATOSA-N 2 1 211.353 0.939 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645889490 388006873 /nfs/dbraw/zinc/00/68/73/388006873.db2.gz LLHKRUSUVVLDEE-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000156617276 388011301 /nfs/dbraw/zinc/01/13/01/388011301.db2.gz WEVZKWFKILNGDC-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000446285826 388011769 /nfs/dbraw/zinc/01/17/69/388011769.db2.gz YICSXTPPLUNQRY-SRVKXCTJSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000446369194 388017091 /nfs/dbraw/zinc/01/70/91/388017091.db2.gz LMWJXAJYGOEMGQ-LMLFDSFASA-N 2 1 243.326 0.285 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256337 388019943 /nfs/dbraw/zinc/01/99/43/388019943.db2.gz JDKXVZJHAHBPJH-SNVBAGLBSA-N 2 1 225.336 0.339 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423236369 388020010 /nfs/dbraw/zinc/02/00/10/388020010.db2.gz CBKAAUYOHOZEAO-GHMZBOCLSA-N 2 1 211.353 0.811 20 0 BCADMP CC[NH2+]CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423236370 388020018 /nfs/dbraw/zinc/02/00/18/388020018.db2.gz CBKAAUYOHOZEAO-MNOVXSKESA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H](NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248757 388032284 /nfs/dbraw/zinc/03/22/84/388032284.db2.gz NSOBSFVEBKUXGH-IJLUTSLNSA-N 2 1 211.353 0.716 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645516 388039013 /nfs/dbraw/zinc/03/90/13/388039013.db2.gz HOCFGBUJMJYYEL-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645516 388039017 /nfs/dbraw/zinc/03/90/17/388039017.db2.gz HOCFGBUJMJYYEL-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000648713682 388042475 /nfs/dbraw/zinc/04/24/75/388042475.db2.gz UKILVAXVOCNDQW-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423264007 388042793 /nfs/dbraw/zinc/04/27/93/388042793.db2.gz PLKBKJPOCPRKEL-GXSJLCMTSA-N 2 1 227.352 0.748 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000108462128 388031025 /nfs/dbraw/zinc/03/10/25/388031025.db2.gz GIIPHDBRUGXHTN-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108462128 388031026 /nfs/dbraw/zinc/03/10/26/388031026.db2.gz GIIPHDBRUGXHTN-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108462128 388031028 /nfs/dbraw/zinc/03/10/28/388031028.db2.gz GIIPHDBRUGXHTN-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108462130 388031047 /nfs/dbraw/zinc/03/10/47/388031047.db2.gz GIIPHDBRUGXHTN-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108462130 388031053 /nfs/dbraw/zinc/03/10/53/388031053.db2.gz GIIPHDBRUGXHTN-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108462130 388031055 /nfs/dbraw/zinc/03/10/55/388031055.db2.gz GIIPHDBRUGXHTN-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)C[NH2+]C)C1 ZINC000423277346 388058672 /nfs/dbraw/zinc/05/86/72/388058672.db2.gz PXLXMLBCRWYYSP-GRYCIOLGSA-N 2 1 213.369 0.772 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)C[NH2+]C)C1 ZINC000423277346 388058675 /nfs/dbraw/zinc/05/86/75/388058675.db2.gz PXLXMLBCRWYYSP-GRYCIOLGSA-N 2 1 213.369 0.772 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423278842 388059972 /nfs/dbraw/zinc/05/99/72/388059972.db2.gz RRQBHCOQUPXPJF-QJPTWQEYSA-N 2 1 213.369 0.949 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH3+])C1CC1 ZINC000423285484 388068567 /nfs/dbraw/zinc/06/85/67/388068567.db2.gz YFXVYQBXCNSFPF-JIMOISOXSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453406841 388075612 /nfs/dbraw/zinc/07/56/12/388075612.db2.gz UMEQSGPPIWIFRL-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453406841 388075615 /nfs/dbraw/zinc/07/56/15/388075615.db2.gz UMEQSGPPIWIFRL-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295045 388076846 /nfs/dbraw/zinc/07/68/46/388076846.db2.gz DHQPBTNNALNWEV-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000084720488 388080660 /nfs/dbraw/zinc/08/06/60/388080660.db2.gz QERRZSHECRVXAO-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CCCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000084720488 388080663 /nfs/dbraw/zinc/08/06/63/388080663.db2.gz QERRZSHECRVXAO-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)CC1 ZINC000463215166 388088344 /nfs/dbraw/zinc/08/83/44/388088344.db2.gz NVWJUFGCALOZQQ-SDDRHHMPSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2COC[C@H]2O)CC1 ZINC000463215166 388088346 /nfs/dbraw/zinc/08/83/46/388088346.db2.gz NVWJUFGCALOZQQ-SDDRHHMPSA-N 2 1 228.336 0.162 20 0 BCADMP CCC[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703354 388107039 /nfs/dbraw/zinc/10/70/39/388107039.db2.gz RUDVVAYCXYNYCC-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C(C[NH2+][C@H]1CC[NH2+]C1)COC[C@@H]1CCCO1 ZINC000086725500 388107770 /nfs/dbraw/zinc/10/77/70/388107770.db2.gz VNUAOKGYJSQRNP-RYUDHWBXSA-N 2 1 228.336 0.524 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645977070 388113657 /nfs/dbraw/zinc/11/36/57/388113657.db2.gz SMEBZFBEIGLXMP-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423266599 388046418 /nfs/dbraw/zinc/04/64/18/388046418.db2.gz DKPLJLZOLLJIPQ-QJPTWQEYSA-N 2 1 213.369 0.820 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449242266 388161315 /nfs/dbraw/zinc/16/13/15/388161315.db2.gz DZLBVCGJRXAJSM-OUAUKWLOSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449242266 388161318 /nfs/dbraw/zinc/16/13/18/388161318.db2.gz DZLBVCGJRXAJSM-OUAUKWLOSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222570 388167740 /nfs/dbraw/zinc/16/77/40/388167740.db2.gz JGZAJBDQCINXRV-ONGXEEELSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070709 388137026 /nfs/dbraw/zinc/13/70/26/388137026.db2.gz KTBMNYFTNPNLAK-WDEREUQCSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000449102829 388142741 /nfs/dbraw/zinc/14/27/41/388142741.db2.gz LUZHRFXVVBLWKK-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000646103588 388142999 /nfs/dbraw/zinc/14/29/99/388142999.db2.gz KHPVBQDTZQCBEC-UHFFFAOYSA-N 2 1 228.336 0.165 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449102788 388143236 /nfs/dbraw/zinc/14/32/36/388143236.db2.gz LPYAFIAYHLDFQY-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CC ZINC000449120237 388145206 /nfs/dbraw/zinc/14/52/06/388145206.db2.gz CJYSRRKYMYLQGG-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646139363 388154580 /nfs/dbraw/zinc/15/45/80/388154580.db2.gz QCGMDQPMIUBLBM-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449570234 388236009 /nfs/dbraw/zinc/23/60/09/388236009.db2.gz AFOXVRUENIKWQS-GFCCVEGCSA-N 2 1 245.342 0.488 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449577697 388236740 /nfs/dbraw/zinc/23/67/40/388236740.db2.gz XNWPXJDDNKLGAS-ZYHUDNBSSA-N 2 1 245.342 0.377 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449599736 388239984 /nfs/dbraw/zinc/23/99/84/388239984.db2.gz HRVNKSKRYZKYNB-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845207 388324543 /nfs/dbraw/zinc/32/45/43/388324543.db2.gz JSPNEYNCADRAJC-FYJFLYSWSA-N 2 1 239.363 0.657 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491881089 388326233 /nfs/dbraw/zinc/32/62/33/388326233.db2.gz GCQIPPNYIBUJQC-ABZNLYFFSA-N 2 1 241.379 0.951 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)/C=C\C[NH+](C)C ZINC000491892495 388326437 /nfs/dbraw/zinc/32/64/37/388326437.db2.gz LSFCINSAUCTXRW-VURMDHGXSA-N 2 1 241.379 0.951 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953096 388268323 /nfs/dbraw/zinc/26/83/23/388268323.db2.gz ANFHBZVGXMIKGG-JFGNBEQYSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953518 388268990 /nfs/dbraw/zinc/26/89/90/388268990.db2.gz XUCCSJLGMZCWON-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953238 388269439 /nfs/dbraw/zinc/26/94/39/388269439.db2.gz KTQCAYYXICGKOY-NWDGAFQWSA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953260 388269538 /nfs/dbraw/zinc/26/95/38/388269538.db2.gz LTUOUDKUWWOSLC-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953261 388269548 /nfs/dbraw/zinc/26/95/48/388269548.db2.gz LTUOUDKUWWOSLC-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCCC[NH+](C)C)CC[N@H+]1C ZINC000648782038 388350680 /nfs/dbraw/zinc/35/06/80/388350680.db2.gz MKPOQXWXUUGMRS-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000572648652 388362972 /nfs/dbraw/zinc/36/29/72/388362972.db2.gz LVBNKVMNTYAYCI-SNVBAGLBSA-N 2 1 236.319 0.655 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CCCC[C@@H]1C(N)=O ZINC000163692383 388366158 /nfs/dbraw/zinc/36/61/58/388366158.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP CN(CC[C@@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC000163674757 388366325 /nfs/dbraw/zinc/36/63/25/388366325.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000235691636 388374607 /nfs/dbraw/zinc/37/46/07/388374607.db2.gz ADBNJBKMMCRFDJ-SRVKXCTJSA-N 2 1 239.363 0.442 20 0 BCADMP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000236107404 388378085 /nfs/dbraw/zinc/37/80/85/388378085.db2.gz FJKVTLMZTHRESH-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000236107404 388378087 /nfs/dbraw/zinc/37/80/87/388378087.db2.gz FJKVTLMZTHRESH-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000236710988 388382566 /nfs/dbraw/zinc/38/25/66/388382566.db2.gz HBMWYEPHDBDLQT-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000572894709 388386223 /nfs/dbraw/zinc/38/62/23/388386223.db2.gz CINQBPICSHITGV-SECBINFHSA-N 2 1 249.305 0.523 20 0 BCADMP CO[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1C ZINC000261530530 135158065 /nfs/dbraw/zinc/15/80/65/135158065.db2.gz CQEFDPHIXYKQNH-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)C(C)(C)COC ZINC000393763238 388440903 /nfs/dbraw/zinc/44/09/03/388440903.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 1 232.368 0.656 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)C(C)(C)COC ZINC000393763238 388440907 /nfs/dbraw/zinc/44/09/07/388440907.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 1 232.368 0.656 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C(C)(C)COC ZINC000393763238 388440910 /nfs/dbraw/zinc/44/09/10/388440910.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 1 232.368 0.656 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)C(C)(C)COC ZINC000393763237 388441192 /nfs/dbraw/zinc/44/11/92/388441192.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 1 232.368 0.656 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)C(C)(C)COC ZINC000393763237 388441194 /nfs/dbraw/zinc/44/11/94/388441194.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 1 232.368 0.656 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)C(C)(C)COC ZINC000393763237 388441196 /nfs/dbraw/zinc/44/11/96/388441196.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 1 232.368 0.656 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404923969 388443969 /nfs/dbraw/zinc/44/39/69/388443969.db2.gz YZRGEGGEELFQFY-IUCAKERBSA-N 2 1 213.325 0.228 20 0 BCADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCO ZINC000308633312 388446550 /nfs/dbraw/zinc/44/65/50/388446550.db2.gz JRMYSHZLOORLNA-UHFFFAOYSA-N 2 1 200.326 0.833 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H](C)[NH2+]1 ZINC000646737057 388447935 /nfs/dbraw/zinc/44/79/35/388447935.db2.gz QFAWNLRXBZOYSJ-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000335663457 388454247 /nfs/dbraw/zinc/45/42/47/388454247.db2.gz PYCQIEIAPXJIRZ-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309569713 388457375 /nfs/dbraw/zinc/45/73/75/388457375.db2.gz MLAROYMEOTZNPK-PHIMTYICSA-N 2 1 226.320 0.481 20 0 BCADMP CC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336698857 388464479 /nfs/dbraw/zinc/46/44/79/388464479.db2.gz WAEPAEUXYWVXLB-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336698857 388464481 /nfs/dbraw/zinc/46/44/81/388464481.db2.gz WAEPAEUXYWVXLB-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC([NH+](C)C)C2)CC[N@H+]1C ZINC000648844209 388465518 /nfs/dbraw/zinc/46/55/18/388465518.db2.gz SMTMPVZDAVGEGZ-MWLCHTKSSA-N 2 1 225.336 0.099 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397480990 388473644 /nfs/dbraw/zinc/47/36/44/388473644.db2.gz NLNOEPKAXXFYJJ-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397480990 388473646 /nfs/dbraw/zinc/47/36/46/388473646.db2.gz NLNOEPKAXXFYJJ-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000166025001 388416196 /nfs/dbraw/zinc/41/61/96/388416196.db2.gz XZJXJPHWHVAZMN-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP [NH3+]Cc1noc([C@]23C[NH2+]C[C@@H]2CCCC3)n1 ZINC000573119159 388421755 /nfs/dbraw/zinc/42/17/55/388421755.db2.gz BSIKVZRLTVVNDY-GZMMTYOYSA-N 2 1 222.292 0.560 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000573121499 388421948 /nfs/dbraw/zinc/42/19/48/388421948.db2.gz FYNXSOZNDSTJRC-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000573164748 388428137 /nfs/dbraw/zinc/42/81/37/388428137.db2.gz XBQXINRRESWEGQ-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220607 388434081 /nfs/dbraw/zinc/43/40/81/388434081.db2.gz HACRXBOHSUZUSF-MNOVXSKESA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+]CC1(CC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000573246015 388435061 /nfs/dbraw/zinc/43/50/61/388435061.db2.gz KOQOIAOWQWKYCV-UHFFFAOYSA-N 2 1 237.347 0.494 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000573244964 388435222 /nfs/dbraw/zinc/43/52/22/388435222.db2.gz ARYGVWRYDLLVTK-FBIMIBRVSA-N 2 1 225.336 0.323 20 0 BCADMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000517246425 388545834 /nfs/dbraw/zinc/54/58/34/388545834.db2.gz VUFJITSQAUBIQQ-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646776357 388497413 /nfs/dbraw/zinc/49/74/13/388497413.db2.gz YXSZVKSZFGPGTG-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868142 388522764 /nfs/dbraw/zinc/52/27/64/388522764.db2.gz UGPGFXZIKBXYCU-GRYCIOLGSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868142 388522766 /nfs/dbraw/zinc/52/27/66/388522766.db2.gz UGPGFXZIKBXYCU-GRYCIOLGSA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000517246427 256821793 /nfs/dbraw/zinc/82/17/93/256821793.db2.gz VUFJITSQAUBIQQ-VWYCJHECSA-N 2 1 225.336 0.147 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593436 388532606 /nfs/dbraw/zinc/53/26/06/388532606.db2.gz NUIIRCAKUODQTP-OLZOCXBDSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593436 388532611 /nfs/dbraw/zinc/53/26/11/388532611.db2.gz NUIIRCAKUODQTP-OLZOCXBDSA-N 2 1 242.363 0.456 20 0 BCADMP CC[C@@H]1CCN1C[C@H](O)C[N@@H+](C)CC ZINC000517038586 388534691 /nfs/dbraw/zinc/53/46/91/388534691.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000517038586 388534692 /nfs/dbraw/zinc/53/46/92/388534692.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@H+]1C[C@H](O)CN(C)CC ZINC000517038586 388534693 /nfs/dbraw/zinc/53/46/93/388534693.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000517038586 388534694 /nfs/dbraw/zinc/53/46/94/388534694.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000517038586 388534695 /nfs/dbraw/zinc/53/46/95/388534695.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000517038586 388534696 /nfs/dbraw/zinc/53/46/96/388534696.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000517038586 388534697 /nfs/dbraw/zinc/53/46/97/388534697.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602175 388550947 /nfs/dbraw/zinc/55/09/47/388550947.db2.gz GMOBJLIHJJZRCE-RWMBFGLXSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602168 388551159 /nfs/dbraw/zinc/55/11/59/388551159.db2.gz GMOBJLIHJJZRCE-AVGNSLFASA-N 2 1 242.363 0.003 20 0 BCADMP Cc1noc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000358021483 388552973 /nfs/dbraw/zinc/55/29/73/388552973.db2.gz HPKRINVWULLNNM-GXSJLCMTSA-N 2 1 238.335 0.850 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649293360 388570615 /nfs/dbraw/zinc/57/06/15/388570615.db2.gz OQGKVLFSEJPIHL-GDNZZTSVSA-N 2 1 248.330 0.163 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000517580725 256828274 /nfs/dbraw/zinc/82/82/74/256828274.db2.gz HPZXOAJXZDUXTG-YUMQZZPRSA-N 2 1 235.278 0.085 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297733 388575763 /nfs/dbraw/zinc/57/57/63/388575763.db2.gz UGMBHUNOFOMPQF-OBPIAQAESA-N 2 1 249.358 0.195 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000081571301 388584457 /nfs/dbraw/zinc/58/44/57/388584457.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH+](CC)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000191773632 388669278 /nfs/dbraw/zinc/66/92/78/388669278.db2.gz LWQTUTCLNPSDAO-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000521998456 388673816 /nfs/dbraw/zinc/67/38/16/388673816.db2.gz LCLPJHNWUPHCFO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000521998458 388674206 /nfs/dbraw/zinc/67/42/06/388674206.db2.gz LCLPJHNWUPHCFO-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248145364 388674644 /nfs/dbraw/zinc/67/46/44/388674644.db2.gz QCTKLCXRMOBWIJ-UPJWGTAASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000530216144 388630533 /nfs/dbraw/zinc/63/05/33/388630533.db2.gz MWLBXMSQZHACCF-MNOVXSKESA-N 2 1 211.353 0.988 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCO)[C@@H](C)C1 ZINC000246418455 388635741 /nfs/dbraw/zinc/63/57/41/388635741.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCO)[C@@H](C)C1 ZINC000246418455 388635743 /nfs/dbraw/zinc/63/57/43/388635743.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO)[C@@H](C)C1 ZINC000246418455 388635744 /nfs/dbraw/zinc/63/57/44/388635744.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(F)(F)CC1 ZINC000530231489 388636723 /nfs/dbraw/zinc/63/67/23/388636723.db2.gz ICLFOIVMXQXJQC-SECBINFHSA-N 2 1 222.279 0.688 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240791 388637694 /nfs/dbraw/zinc/63/76/94/388637694.db2.gz NVNYPRPDQIVRCI-WCQYABFASA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246726836 388650679 /nfs/dbraw/zinc/65/06/79/388650679.db2.gz XZJXJPHWHVAZMN-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246840874 388652347 /nfs/dbraw/zinc/65/23/47/388652347.db2.gz CDZUWLFFGWQXFW-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299629 388745538 /nfs/dbraw/zinc/74/55/38/388745538.db2.gz HHRVXZNVTQOLSG-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226439038 388719424 /nfs/dbraw/zinc/71/94/24/388719424.db2.gz WENUDZNARJNPJO-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000068195923 388765873 /nfs/dbraw/zinc/76/58/73/388765873.db2.gz XZBSWCNZJLWMAF-LLVKDONJSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000252713461 388773485 /nfs/dbraw/zinc/77/34/85/388773485.db2.gz PFBHHZUHYZSKLO-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000252713461 388773486 /nfs/dbraw/zinc/77/34/86/388773486.db2.gz PFBHHZUHYZSKLO-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000152863366 388887087 /nfs/dbraw/zinc/88/70/87/388887087.db2.gz SWWKCCAGURBZIJ-LLVKDONJSA-N 2 1 227.352 0.666 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000564459215 388876265 /nfs/dbraw/zinc/87/62/65/388876265.db2.gz QIGRNJACCCSLGY-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000564988306 388902545 /nfs/dbraw/zinc/90/25/45/388902545.db2.gz AWXIPHFVSDEHOE-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CC[N@@H+](CC1CC1)C[C@@](C)(O)C[NH2+]C ZINC000565095785 388913990 /nfs/dbraw/zinc/91/39/90/388913990.db2.gz RSXHRLVMHHIILI-NSHDSACASA-N 2 1 200.326 0.689 20 0 BCADMP CC(=O)N1CC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000565218241 388927455 /nfs/dbraw/zinc/92/74/55/388927455.db2.gz MGFZXPSYKKQBID-RNCFNFMXSA-N 2 1 237.347 0.289 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000262464843 388934589 /nfs/dbraw/zinc/93/45/89/388934589.db2.gz XRDMIBPVUHZWSH-LBPRGKRZSA-N 2 1 249.358 0.829 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000565477413 388947700 /nfs/dbraw/zinc/94/77/00/388947700.db2.gz FIYSOIYFVVDKHB-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000305647394 388948273 /nfs/dbraw/zinc/94/82/73/388948273.db2.gz SMUXUIIQVWMRIO-NEPJUHHUSA-N 2 1 223.320 0.976 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000565480207 388948497 /nfs/dbraw/zinc/94/84/97/388948497.db2.gz BGSDRZOCRNZMBA-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CCOC[C@@H](O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565489529 388949012 /nfs/dbraw/zinc/94/90/12/388949012.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 1 242.363 0.552 20 0 BCADMP CCOC[C@@H](O)CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565489529 388949014 /nfs/dbraw/zinc/94/90/14/388949014.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 1 242.363 0.552 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(CC)(CC)CCO ZINC000565548989 388954546 /nfs/dbraw/zinc/95/45/46/388954546.db2.gz KRXBVDQHFBHVOK-LBPRGKRZSA-N 2 1 246.395 0.830 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000566010575 388982023 /nfs/dbraw/zinc/98/20/23/388982023.db2.gz JTNIJUSYBICXTE-VIFPVBQESA-N 2 1 249.305 0.440 20 0 BCADMP C[C@H]1CC2(C[N@H+]1Cc1nncn1C)CC[NH2+]CC2 ZINC000566096431 388987252 /nfs/dbraw/zinc/98/72/52/388987252.db2.gz QVCSFXFUKWQRQU-NSHDSACASA-N 2 1 249.362 0.779 20 0 BCADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000271768615 389023653 /nfs/dbraw/zinc/02/36/53/389023653.db2.gz BCORHOLYLRWALT-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP C([NH2+][C@H]1CCSC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217751536 533372886 /nfs/dbraw/zinc/37/28/86/533372886.db2.gz GKVUKNWJOZFTFP-TUAOUCFPSA-N 2 1 242.388 0.945 20 0 BCADMP C([NH2+][C@H]1CCSC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000217751536 533372889 /nfs/dbraw/zinc/37/28/89/533372889.db2.gz GKVUKNWJOZFTFP-TUAOUCFPSA-N 2 1 242.388 0.945 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669136 533376697 /nfs/dbraw/zinc/37/66/97/533376697.db2.gz HZNBWYBUTHUGRT-NEPJUHHUSA-N 2 1 210.321 0.708 20 0 BCADMP COc1c[nH+]ccc1N1CC[NH+](CCO)CC1 ZINC000361529612 132280235 /nfs/dbraw/zinc/28/02/35/132280235.db2.gz FTHMMLWATMWROH-UHFFFAOYSA-N 2 1 237.303 0.205 20 0 BCADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000165610616 133665806 /nfs/dbraw/zinc/66/58/06/133665806.db2.gz ZSDBSMXDOREBIA-UWVGGRQHSA-N 2 1 243.376 0.105 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000336044507 134063320 /nfs/dbraw/zinc/06/33/20/134063320.db2.gz SQAXBSDSMYCRIW-JTQLQIEISA-N 2 1 248.330 0.604 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@H]1O ZINC000352115826 134073087 /nfs/dbraw/zinc/07/30/87/134073087.db2.gz OXRCOVNJQMQWHT-YNEHKIRRSA-N 2 1 242.363 0.287 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+](C)C ZINC000336084042 134075896 /nfs/dbraw/zinc/07/58/96/134075896.db2.gz VFEFSSXGSFJOIP-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336101595 134083313 /nfs/dbraw/zinc/08/33/13/134083313.db2.gz DPGHIFVBAPUIFS-NWDGAFQWSA-N 2 1 237.347 0.293 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336101595 134083314 /nfs/dbraw/zinc/08/33/14/134083314.db2.gz DPGHIFVBAPUIFS-NWDGAFQWSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H]1CN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336122281 134091583 /nfs/dbraw/zinc/09/15/83/134091583.db2.gz VLCGHHUCJAEKNF-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336122281 134091584 /nfs/dbraw/zinc/09/15/84/134091584.db2.gz VLCGHHUCJAEKNF-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336122281 134091585 /nfs/dbraw/zinc/09/15/85/134091585.db2.gz VLCGHHUCJAEKNF-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336122281 134091586 /nfs/dbraw/zinc/09/15/86/134091586.db2.gz VLCGHHUCJAEKNF-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336122281 134091587 /nfs/dbraw/zinc/09/15/87/134091587.db2.gz VLCGHHUCJAEKNF-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012743 134221640 /nfs/dbraw/zinc/22/16/40/134221640.db2.gz DMBJQQZIYCDRBZ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178976315 134314067 /nfs/dbraw/zinc/31/40/67/134314067.db2.gz MNEWSRWRXIBRJO-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@H+]1C ZINC000178816112 134315464 /nfs/dbraw/zinc/31/54/64/134315464.db2.gz SMDSNDWVJDQHSV-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867256 134316320 /nfs/dbraw/zinc/31/63/20/134316320.db2.gz AEDKBIUBNWOWIL-HRDYMLBCSA-N 2 1 211.309 0.075 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221979181 134327385 /nfs/dbraw/zinc/32/73/85/134327385.db2.gz LVOXDRIPWAIJOE-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223730668 134339067 /nfs/dbraw/zinc/33/90/67/134339067.db2.gz NBQQTYNYGSKULV-GARJFASQSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223730609 134339189 /nfs/dbraw/zinc/33/91/89/134339189.db2.gz NBQQTYNYGSKULV-HBNTYKKESA-N 2 1 216.325 0.066 20 0 BCADMP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000226325449 134360169 /nfs/dbraw/zinc/36/01/69/134360169.db2.gz YEBZPJFFUOYIKI-KOLCDFICSA-N 2 1 232.393 0.783 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226401537 134365209 /nfs/dbraw/zinc/36/52/09/134365209.db2.gz KAZHJVCJWIASFX-ZJUUUORDSA-N 2 1 245.392 0.229 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226401537 134365210 /nfs/dbraw/zinc/36/52/10/134365210.db2.gz KAZHJVCJWIASFX-ZJUUUORDSA-N 2 1 245.392 0.229 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226401480 134365394 /nfs/dbraw/zinc/36/53/94/134365394.db2.gz VZDSZEWAEFBBQL-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226401480 134365395 /nfs/dbraw/zinc/36/53/95/134365395.db2.gz VZDSZEWAEFBBQL-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250458324 135055191 /nfs/dbraw/zinc/05/51/91/135055191.db2.gz JVLXHWZWFXBPOR-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250508388 135056253 /nfs/dbraw/zinc/05/62/53/135056253.db2.gz NEDBOTFYFXONFR-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000250856858 135057902 /nfs/dbraw/zinc/05/79/02/135057902.db2.gz PNLCOULRTAXYEV-SDDRHHMPSA-N 2 1 210.321 0.992 20 0 BCADMP C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000250856858 135057904 /nfs/dbraw/zinc/05/79/04/135057904.db2.gz PNLCOULRTAXYEV-SDDRHHMPSA-N 2 1 210.321 0.992 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251388374 135071667 /nfs/dbraw/zinc/07/16/67/135071667.db2.gz SVFVKHKJNNADDZ-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435485 135084086 /nfs/dbraw/zinc/08/40/86/135084086.db2.gz FPCSNFNSLCETJF-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435478 135084195 /nfs/dbraw/zinc/08/41/95/135084195.db2.gz SQCBPYFKOICROT-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000252429771 135089128 /nfs/dbraw/zinc/08/91/28/135089128.db2.gz DBBJGEUQUUHWJV-JBLDHEPKSA-N 2 1 239.363 0.713 20 0 BCADMP CCOC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702870 135095482 /nfs/dbraw/zinc/09/54/82/135095482.db2.gz LLWCFZCEJUYXMH-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698184 135098026 /nfs/dbraw/zinc/09/80/26/135098026.db2.gz LMYACUBMOAPZPS-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000252708481 135098367 /nfs/dbraw/zinc/09/83/67/135098367.db2.gz ADWLCCHLPAYYJC-HLTSFMKQSA-N 2 1 240.269 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000252708481 135098369 /nfs/dbraw/zinc/09/83/69/135098369.db2.gz ADWLCCHLPAYYJC-HLTSFMKQSA-N 2 1 240.269 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000252709196 135099844 /nfs/dbraw/zinc/09/98/44/135099844.db2.gz CGIFUJONGZLMAW-UTUOFQBUSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000087121899 135107305 /nfs/dbraw/zinc/10/73/05/135107305.db2.gz WQPIEEQABCCKOB-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCOCC12CC2 ZINC000261532343 135109043 /nfs/dbraw/zinc/10/90/43/135109043.db2.gz AGXGUNSWIUEKIP-UHFFFAOYSA-N 2 1 210.321 0.851 20 0 BCADMP CCC[C@@H]1CN(CC[NH3+])CC[N@H+]1CCOC ZINC000261568719 135110450 /nfs/dbraw/zinc/11/04/50/135110450.db2.gz FUDDCQGKBDRDKZ-GFCCVEGCSA-N 2 1 229.368 0.378 20 0 BCADMP CN(C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000261579879 135110473 /nfs/dbraw/zinc/11/04/73/135110473.db2.gz MNHKUKSWVXCVRO-GFCCVEGCSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000261579879 135110474 /nfs/dbraw/zinc/11/04/74/135110474.db2.gz MNHKUKSWVXCVRO-GFCCVEGCSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252870034 135113784 /nfs/dbraw/zinc/11/37/84/135113784.db2.gz SEKHVCHGISJFOL-LPEHRKFASA-N 2 1 213.325 0.038 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000252895407 135116629 /nfs/dbraw/zinc/11/66/29/135116629.db2.gz YQJODKQTHUTKOX-CMPLNLGQSA-N 2 1 222.336 0.850 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000252895407 135116631 /nfs/dbraw/zinc/11/66/31/135116631.db2.gz YQJODKQTHUTKOX-CMPLNLGQSA-N 2 1 222.336 0.850 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194571 135123811 /nfs/dbraw/zinc/12/38/11/135123811.db2.gz QHEVVPLKUDQDTG-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000253284919 135126060 /nfs/dbraw/zinc/12/60/60/135126060.db2.gz NGZLZRVQBVTSHD-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257727220 135141223 /nfs/dbraw/zinc/14/12/23/135141223.db2.gz QLBRLKOBZIZWMU-GFCCVEGCSA-N 2 1 209.337 0.376 20 0 BCADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000261294431 135150623 /nfs/dbraw/zinc/15/06/23/135150623.db2.gz SUZKZFIPYJKDMC-JQWIXIFHSA-N 2 1 208.305 0.999 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000261530036 135156760 /nfs/dbraw/zinc/15/67/60/135156760.db2.gz XIKJDQCBXOSBGM-NXEZZACHSA-N 2 1 216.350 0.399 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000261530036 135156762 /nfs/dbraw/zinc/15/67/62/135156762.db2.gz XIKJDQCBXOSBGM-NXEZZACHSA-N 2 1 216.350 0.399 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000087647884 135160763 /nfs/dbraw/zinc/16/07/63/135160763.db2.gz YZURTVJVUODJLC-FUNVUKJBSA-N 2 1 224.348 0.974 20 0 BCADMP OC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000087647768 135161378 /nfs/dbraw/zinc/16/13/78/135161378.db2.gz NXDQNGFKESQANV-LBPRGKRZSA-N 2 1 212.337 0.690 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533450 135164871 /nfs/dbraw/zinc/16/48/71/135164871.db2.gz BAGOVGAEKNFATB-IJLUTSLNSA-N 2 1 212.337 0.689 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534532 135167766 /nfs/dbraw/zinc/16/77/66/135167766.db2.gz RVQQMYVYWKRONE-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000261536827 135173345 /nfs/dbraw/zinc/17/33/45/135173345.db2.gz TWKJCGDIAOIBMA-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP Cn1nccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538759 135177431 /nfs/dbraw/zinc/17/74/31/135177431.db2.gz ZFHQCFQWHNZYNM-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP Cn1nccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538759 135177432 /nfs/dbraw/zinc/17/74/32/135177432.db2.gz ZFHQCFQWHNZYNM-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261539794 135178853 /nfs/dbraw/zinc/17/88/53/135178853.db2.gz DDTZQKOGGKUYAH-NWDGAFQWSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000261540143 135179631 /nfs/dbraw/zinc/17/96/31/135179631.db2.gz DWKWFORBWOYJLU-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2C)C1 ZINC000261540506 135179669 /nfs/dbraw/zinc/17/96/69/135179669.db2.gz DZMWIKGMPVLJHM-JTQLQIEISA-N 2 1 208.309 0.759 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000261540506 135179670 /nfs/dbraw/zinc/17/96/70/135179670.db2.gz DZMWIKGMPVLJHM-JTQLQIEISA-N 2 1 208.309 0.759 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541550 135181725 /nfs/dbraw/zinc/18/17/25/135181725.db2.gz BHQAISVPGMWZLQ-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@@H+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261543006 135184226 /nfs/dbraw/zinc/18/42/26/135184226.db2.gz CODLGRTUWATWRQ-FOSCPWQOSA-N 2 1 235.335 0.493 20 0 BCADMP C[C@@H]1COCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545079 135186546 /nfs/dbraw/zinc/18/65/46/135186546.db2.gz JOKKITZUDDUNRA-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CCOc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000259206790 135186675 /nfs/dbraw/zinc/18/66/75/135186675.db2.gz XBUNQXYKONVMMA-GFCCVEGCSA-N 2 1 238.331 0.837 20 0 BCADMP CCOc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000259206790 135186677 /nfs/dbraw/zinc/18/66/77/135186677.db2.gz XBUNQXYKONVMMA-GFCCVEGCSA-N 2 1 238.331 0.837 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084221026 135193852 /nfs/dbraw/zinc/19/38/52/135193852.db2.gz ABQALDPPKGBVKO-LOWVWBTDSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084221026 135193854 /nfs/dbraw/zinc/19/38/54/135193854.db2.gz ABQALDPPKGBVKO-LOWVWBTDSA-N 2 1 223.364 0.940 20 0 BCADMP CN(C)c1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261555603 135195066 /nfs/dbraw/zinc/19/50/66/135195066.db2.gz BMLBWDUHISXWKJ-QWRGUYRKSA-N 2 1 247.346 0.588 20 0 BCADMP CN(C)c1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261555602 135195253 /nfs/dbraw/zinc/19/52/53/135195253.db2.gz BMLBWDUHISXWKJ-MNOVXSKESA-N 2 1 247.346 0.588 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000261564170 135206309 /nfs/dbraw/zinc/20/63/09/135206309.db2.gz CIPONYBJCYJONS-LLVKDONJSA-N 3 1 215.341 0.165 20 0 BCADMP [NH3+]C1(c2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000261564828 135206936 /nfs/dbraw/zinc/20/69/36/135206936.db2.gz CTFBAWXFIGHZNX-UHFFFAOYSA-N 2 1 208.265 0.745 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000164380876 135225380 /nfs/dbraw/zinc/22/53/80/135225380.db2.gz VOLIIZQXENCANE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261587302 135228629 /nfs/dbraw/zinc/22/86/29/135228629.db2.gz RQXCREYCOUGNCD-KCJUWKMLSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261587302 135228631 /nfs/dbraw/zinc/22/86/31/135228631.db2.gz RQXCREYCOUGNCD-KCJUWKMLSA-N 2 1 208.309 0.887 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000261588256 135229244 /nfs/dbraw/zinc/22/92/44/135229244.db2.gz SHHHJJUUVZIRLW-NSHDSACASA-N 2 1 214.309 0.074 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261591685 135231868 /nfs/dbraw/zinc/23/18/68/135231868.db2.gz VMDBDEWNDUFIPB-JQWIXIFHSA-N 3 1 211.353 0.655 20 0 BCADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261593453 135233754 /nfs/dbraw/zinc/23/37/54/135233754.db2.gz WWZZCQROCBYQLC-OLZOCXBDSA-N 2 1 224.348 0.954 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547166 135240076 /nfs/dbraw/zinc/24/00/76/135240076.db2.gz LYOZCIQPKAIBEK-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCN2CCCC2=O)C1 ZINC000261651232 135242261 /nfs/dbraw/zinc/24/22/61/135242261.db2.gz FCUPBPXKLGWLFW-LBPRGKRZSA-N 2 1 225.336 0.280 20 0 BCADMP NC(=[NH2+])NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000261668083 135245063 /nfs/dbraw/zinc/24/50/63/135245063.db2.gz JYJZOLCXWVTLBI-NWDGAFQWSA-N 2 1 248.330 0.105 20 0 BCADMP NC(=[NH2+])NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000261668083 135245064 /nfs/dbraw/zinc/24/50/64/135245064.db2.gz JYJZOLCXWVTLBI-NWDGAFQWSA-N 2 1 248.330 0.105 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687605 135246089 /nfs/dbraw/zinc/24/60/89/135246089.db2.gz AQLOHXXXPTZXNY-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261719307 135247321 /nfs/dbraw/zinc/24/73/21/135247321.db2.gz FBBPYJLETUVEEI-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716678 135247770 /nfs/dbraw/zinc/24/77/70/135247770.db2.gz FFKNHJZTGJLLBK-QWHCGFSZSA-N 2 1 240.347 0.871 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000261772782 135251399 /nfs/dbraw/zinc/25/13/99/135251399.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 1 223.364 0.479 20 0 BCADMP O=C1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)CN1 ZINC000261766553 135251432 /nfs/dbraw/zinc/25/14/32/135251432.db2.gz DIXGOSRPBNQPLK-CYBMUJFWSA-N 2 1 237.347 0.198 20 0 BCADMP COCCO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261772040 135251458 /nfs/dbraw/zinc/25/14/58/135251458.db2.gz DSJCYQORRSEPIX-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP COCCO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261772045 135251654 /nfs/dbraw/zinc/25/16/54/135251654.db2.gz DSJCYQORRSEPIX-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261769093 135252038 /nfs/dbraw/zinc/25/20/38/135252038.db2.gz MKYWZZXTEUKWSW-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261769093 135252039 /nfs/dbraw/zinc/25/20/39/135252039.db2.gz MKYWZZXTEUKWSW-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000261822447 135255459 /nfs/dbraw/zinc/25/54/59/135255459.db2.gz MPHLRUYFWIARJI-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000261830889 135256081 /nfs/dbraw/zinc/25/60/81/135256081.db2.gz NDMSVVJZWIYGER-GARJFASQSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000261852165 135257127 /nfs/dbraw/zinc/25/71/27/135257127.db2.gz OVLWCLIQVQONAC-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000261871361 135258986 /nfs/dbraw/zinc/25/89/86/135258986.db2.gz QRUQHTRXGNOSKN-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000261871364 135259266 /nfs/dbraw/zinc/25/92/66/135259266.db2.gz QRUQHTRXGNOSKN-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC(=O)N1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261910130 135261824 /nfs/dbraw/zinc/26/18/24/135261824.db2.gz XWQDORIMJUFDLM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)N1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261910130 135261826 /nfs/dbraw/zinc/26/18/26/135261826.db2.gz XWQDORIMJUFDLM-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000261926129 135263361 /nfs/dbraw/zinc/26/33/61/135263361.db2.gz YGJFETHYWIAECK-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925972 135263526 /nfs/dbraw/zinc/26/35/26/135263526.db2.gz CFHWTKRDQSEXFZ-WCQYABFASA-N 2 1 239.363 0.444 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925967 135263852 /nfs/dbraw/zinc/26/38/52/135263852.db2.gz CFHWTKRDQSEXFZ-AAEUAGOBSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](OCCO)C2)CC[NH2+]C1 ZINC000261980322 135268706 /nfs/dbraw/zinc/26/87/06/135268706.db2.gz JCHNLJYVEHMOLC-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C(N)=O)C1 ZINC000262018918 135273107 /nfs/dbraw/zinc/27/31/07/135273107.db2.gz VZETWEFNJQODHS-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000262049246 135275546 /nfs/dbraw/zinc/27/55/46/135275546.db2.gz UVRWCPIYCBODNB-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP O=c1cc2c(n[nH]1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000262044238 135275685 /nfs/dbraw/zinc/27/56/85/135275685.db2.gz YTKBPURGZSWYBJ-UHFFFAOYSA-N 2 1 248.330 0.128 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000262137859 135281182 /nfs/dbraw/zinc/28/11/82/135281182.db2.gz YWDBDZUJPNNPHT-NQBHXWOUSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000262137859 135281185 /nfs/dbraw/zinc/28/11/85/135281185.db2.gz YWDBDZUJPNNPHT-NQBHXWOUSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262310246 135292387 /nfs/dbraw/zinc/29/23/87/135292387.db2.gz CUUIPRXGVNIRAA-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000262334996 135294025 /nfs/dbraw/zinc/29/40/25/135294025.db2.gz HDQCGLWQPYEMKQ-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000262349081 135294880 /nfs/dbraw/zinc/29/48/80/135294880.db2.gz ITTVZBIRZWLGKM-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000262375947 135298104 /nfs/dbraw/zinc/29/81/04/135298104.db2.gz MIGYNGXEIVTMSB-WOPDTQHZSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000262394728 135298730 /nfs/dbraw/zinc/29/87/30/135298730.db2.gz OSIOCCSSRVXYOR-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342745127 135310510 /nfs/dbraw/zinc/31/05/10/135310510.db2.gz UNTJIRDDQZZKPR-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000262655717 135312211 /nfs/dbraw/zinc/31/22/11/135312211.db2.gz CSDXONQYWIVISF-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000342710958 135313216 /nfs/dbraw/zinc/31/32/16/135313216.db2.gz PZZUOILWELUKSK-IUCAKERBSA-N 2 1 249.305 0.298 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C1([NH3+])CCCCC1 ZINC000262703984 135314516 /nfs/dbraw/zinc/31/45/16/135314516.db2.gz LWELOQUPUGRUDF-UHFFFAOYSA-N 2 1 235.278 0.358 20 0 BCADMP [NH3+]CCN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000262992673 135325723 /nfs/dbraw/zinc/32/57/23/135325723.db2.gz NXGAMPIAKUDDIK-UHFFFAOYSA-N 2 1 249.358 0.784 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC[NH3+] ZINC000263299478 135345416 /nfs/dbraw/zinc/34/54/16/135345416.db2.gz YYUZBYGLQPNPIQ-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334320824 135352398 /nfs/dbraw/zinc/35/23/98/135352398.db2.gz HEZWMCVVNYNXEO-CYBMUJFWSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000164489531 135372404 /nfs/dbraw/zinc/37/24/04/135372404.db2.gz OSBQGKSVLVAUIP-VHSXEESVSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])c2ccccc2C1 ZINC000335281923 136000395 /nfs/dbraw/zinc/00/03/95/136000395.db2.gz ZFZUHRWWUNFRCS-NEPJUHHUSA-N 2 1 245.326 0.812 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])c2ccccc2C1 ZINC000335281923 136000396 /nfs/dbraw/zinc/00/03/96/136000396.db2.gz ZFZUHRWWUNFRCS-NEPJUHHUSA-N 2 1 245.326 0.812 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285054 136001951 /nfs/dbraw/zinc/00/19/51/136001951.db2.gz IOVCTQMLLVIIPY-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000335301370 136020356 /nfs/dbraw/zinc/02/03/56/136020356.db2.gz OFSVXGCYZNBDSG-QWRGUYRKSA-N 2 1 240.351 0.071 20 0 BCADMP C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000335301368 136020607 /nfs/dbraw/zinc/02/06/07/136020607.db2.gz OFSVXGCYZNBDSG-GHMZBOCLSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000335307271 136027370 /nfs/dbraw/zinc/02/73/70/136027370.db2.gz WHOWBGBRJVIOBG-UWVGGRQHSA-N 2 1 240.351 0.212 20 0 BCADMP CNC(=O)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000348052453 136031196 /nfs/dbraw/zinc/03/11/96/136031196.db2.gz SZPKZCVQJXDBHM-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CNC(=O)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000348052453 136031197 /nfs/dbraw/zinc/03/11/97/136031197.db2.gz SZPKZCVQJXDBHM-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000335349698 136067751 /nfs/dbraw/zinc/06/77/51/136067751.db2.gz VHAQLPLLAMYSKT-DGCLKSJQSA-N 2 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@]1(C)CN ZINC000335349698 136067752 /nfs/dbraw/zinc/06/77/52/136067752.db2.gz VHAQLPLLAMYSKT-DGCLKSJQSA-N 2 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@]1(C)CN ZINC000335349698 136067753 /nfs/dbraw/zinc/06/77/53/136067753.db2.gz VHAQLPLLAMYSKT-DGCLKSJQSA-N 2 1 225.380 0.903 20 0 BCADMP [NH3+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335375213 136085176 /nfs/dbraw/zinc/08/51/76/136085176.db2.gz MMCYFLBMAGOKIO-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335392653 136091451 /nfs/dbraw/zinc/09/14/51/136091451.db2.gz NEESTKJRWVTVKA-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP O=C([C@@H]1CSC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335393330 136091920 /nfs/dbraw/zinc/09/19/20/136091920.db2.gz AGMQLXCHAQDDCN-GXSJLCMTSA-N 2 1 241.360 0.003 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397746 136093087 /nfs/dbraw/zinc/09/30/87/136093087.db2.gz WURHIUAZDDAFPG-WDEREUQCSA-N 2 1 225.336 0.054 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249153 166991991 /nfs/dbraw/zinc/99/19/91/166991991.db2.gz ALGMDWKXQVQTEX-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249153 166991993 /nfs/dbraw/zinc/99/19/93/166991993.db2.gz ALGMDWKXQVQTEX-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP COC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380196303 397789651 /nfs/dbraw/zinc/78/96/51/397789651.db2.gz RCYYTMBIJGNVHT-UTUOFQBUSA-N 2 1 212.337 0.953 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000178814175 397803137 /nfs/dbraw/zinc/80/31/37/397803137.db2.gz PFISQAIHJLOXSU-VWYCJHECSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCCCC1 ZINC000037872777 397966628 /nfs/dbraw/zinc/96/66/28/397966628.db2.gz IRYFZGUHRDVXDZ-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000054133014 397903732 /nfs/dbraw/zinc/90/37/32/397903732.db2.gz KGFPVLAGTWVNDY-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133302 397903860 /nfs/dbraw/zinc/90/38/60/397903860.db2.gz WPCCMUFYEUTMIF-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CCC(=O)N1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647881143 397914895 /nfs/dbraw/zinc/91/48/95/397914895.db2.gz GUYVMRIUFXHIID-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CCC(=O)N1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647881143 397914896 /nfs/dbraw/zinc/91/48/96/397914896.db2.gz GUYVMRIUFXHIID-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418201725 397992073 /nfs/dbraw/zinc/99/20/73/397992073.db2.gz SGXKMPZTURMZMP-NSHDSACASA-N 2 1 244.383 0.624 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000165031362 398002234 /nfs/dbraw/zinc/00/22/34/398002234.db2.gz FIOWZPZDDSZGLZ-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637863273 398032187 /nfs/dbraw/zinc/03/21/87/398032187.db2.gz WTVXNZNRGMCOAE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)CCN1CC[N@H+](CC2CCC2)CC1=O ZINC000649685198 398035364 /nfs/dbraw/zinc/03/53/64/398035364.db2.gz RRHYJHTZAFUHED-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CCN1CC[N@@H+](CC2CCC2)CC1=O ZINC000649685198 398035368 /nfs/dbraw/zinc/03/53/68/398035368.db2.gz RRHYJHTZAFUHED-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP CC(C)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687918 398036562 /nfs/dbraw/zinc/03/65/62/398036562.db2.gz KUABJXHPDZMIOW-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CC(C)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687918 398036565 /nfs/dbraw/zinc/03/65/65/398036565.db2.gz KUABJXHPDZMIOW-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000564731738 398039843 /nfs/dbraw/zinc/03/98/43/398039843.db2.gz HJYJNHBITJXNLN-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000383241720 397972456 /nfs/dbraw/zinc/97/24/56/397972456.db2.gz CVTWQQASOWNPTL-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000383241720 397972460 /nfs/dbraw/zinc/97/24/60/397972460.db2.gz CVTWQQASOWNPTL-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000383241720 397972462 /nfs/dbraw/zinc/97/24/62/397972462.db2.gz CVTWQQASOWNPTL-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000383241720 397972465 /nfs/dbraw/zinc/97/24/65/397972465.db2.gz CVTWQQASOWNPTL-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309049624 397977716 /nfs/dbraw/zinc/97/77/16/397977716.db2.gz QDGRGRPAUWHTBH-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CCOC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309049624 397977718 /nfs/dbraw/zinc/97/77/18/397977718.db2.gz QDGRGRPAUWHTBH-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063349 /nfs/dbraw/zinc/06/33/49/398063349.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063351 /nfs/dbraw/zinc/06/33/51/398063351.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063352 /nfs/dbraw/zinc/06/33/52/398063352.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 2 1 244.379 0.249 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638189577 398078762 /nfs/dbraw/zinc/07/87/62/398078762.db2.gz DFBBTKBBIQOVSC-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638189578 398079173 /nfs/dbraw/zinc/07/91/73/398079173.db2.gz DFBBTKBBIQOVSC-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000649764064 398091195 /nfs/dbraw/zinc/09/11/95/398091195.db2.gz OWGQKZXPQYEZCO-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP COC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000384029154 398056836 /nfs/dbraw/zinc/05/68/36/398056836.db2.gz SMCSLYXBKKFWBI-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000384029154 398056838 /nfs/dbraw/zinc/05/68/38/398056838.db2.gz SMCSLYXBKKFWBI-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP c1c[nH]c(C[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000309608556 398101953 /nfs/dbraw/zinc/10/19/53/398101953.db2.gz LXZYYSUBYZTIKT-QMMMGPOBSA-N 2 1 217.276 0.780 20 0 BCADMP C[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000566120071 398096803 /nfs/dbraw/zinc/09/68/03/398096803.db2.gz GBURKBASCGYWBD-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000236911823 398117400 /nfs/dbraw/zinc/11/74/00/398117400.db2.gz PPLOBGCREIEKSE-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512260 167042137 /nfs/dbraw/zinc/04/21/37/167042137.db2.gz XEVUYNUOOMYTTI-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122316456 167053663 /nfs/dbraw/zinc/05/36/63/167053663.db2.gz SBZJTQPYHQCEMM-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122316456 167053666 /nfs/dbraw/zinc/05/36/66/167053666.db2.gz SBZJTQPYHQCEMM-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP C[N@@H+](CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000086853583 487567806 /nfs/dbraw/zinc/56/78/06/487567806.db2.gz KIYYYOOYQIUSDK-UHFFFAOYSA-N 2 1 225.336 0.468 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420027 487575521 /nfs/dbraw/zinc/57/55/21/487575521.db2.gz VPJWXKPIRLZNCU-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420027 487575524 /nfs/dbraw/zinc/57/55/24/487575524.db2.gz VPJWXKPIRLZNCU-UWVGGRQHSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000082241802 487580984 /nfs/dbraw/zinc/58/09/84/487580984.db2.gz GQMGFBSQPFHNER-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000393850314 487587587 /nfs/dbraw/zinc/58/75/87/487587587.db2.gz QYCQDJVJRQWUFC-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000393850314 487587590 /nfs/dbraw/zinc/58/75/90/487587590.db2.gz QYCQDJVJRQWUFC-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000393850314 487587593 /nfs/dbraw/zinc/58/75/93/487587593.db2.gz QYCQDJVJRQWUFC-CHWSQXEVSA-N 2 1 244.379 0.656 20 0 BCADMP CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000082303498 487590471 /nfs/dbraw/zinc/59/04/71/487590471.db2.gz DQUCYZHBPLTXLR-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000082303498 487590478 /nfs/dbraw/zinc/59/04/78/487590478.db2.gz DQUCYZHBPLTXLR-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000082303498 487590483 /nfs/dbraw/zinc/59/04/83/487590483.db2.gz DQUCYZHBPLTXLR-LLVKDONJSA-N 2 1 225.336 0.102 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000082304303 487590723 /nfs/dbraw/zinc/59/07/23/487590723.db2.gz ABEJPTGETCJERL-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000082304303 487590729 /nfs/dbraw/zinc/59/07/29/487590729.db2.gz ABEJPTGETCJERL-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCCN(C)C1=O ZINC000662266060 409565434 /nfs/dbraw/zinc/56/54/34/409565434.db2.gz WHDRPSMDERZXOK-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CSCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254123 409551561 /nfs/dbraw/zinc/55/15/61/409551561.db2.gz FZUYUTFCOWSUFW-GHMZBOCLSA-N 2 1 242.388 0.945 20 0 BCADMP CC(C)OCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285771 409619440 /nfs/dbraw/zinc/61/94/40/409619440.db2.gz HPYDRYSMQVOEMN-UHFFFAOYSA-N 2 1 216.325 0.116 20 0 BCADMP C[C@@H]1CCCC[C@@H]1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285925 409619499 /nfs/dbraw/zinc/61/94/99/409619499.db2.gz MOZZHBDHHHXSOT-JHJVBQTASA-N 2 1 244.379 0.427 20 0 BCADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662285925 409619502 /nfs/dbraw/zinc/61/95/02/409619502.db2.gz MOZZHBDHHHXSOT-JHJVBQTASA-N 2 1 244.379 0.427 20 0 BCADMP Cn1cc(C[N@H+](C)CCC2CC[NH2+]CC2)nn1 ZINC000662309777 409632577 /nfs/dbraw/zinc/63/25/77/409632577.db2.gz DJIRNDYVBJCJHG-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP Cn1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)nn1 ZINC000662309777 409632586 /nfs/dbraw/zinc/63/25/86/409632586.db2.gz DJIRNDYVBJCJHG-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662317405 409636715 /nfs/dbraw/zinc/63/67/15/409636715.db2.gz ONEJLOGUTWSGBE-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP COC[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])OC ZINC000662272864 409578244 /nfs/dbraw/zinc/57/82/44/409578244.db2.gz JLVUFVMEWAWHHN-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000655246936 409719062 /nfs/dbraw/zinc/71/90/62/409719062.db2.gz QAEZPKQOSHWGSC-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247243 409719715 /nfs/dbraw/zinc/71/97/15/409719715.db2.gz YXQSDKCWOWKPTN-TXEJJXNPSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000653132930 409849161 /nfs/dbraw/zinc/84/91/61/409849161.db2.gz MWOWFELRFQIVFC-SECBINFHSA-N 2 1 249.305 0.427 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000662620801 409790656 /nfs/dbraw/zinc/79/06/56/409790656.db2.gz BNDBUEJRLQJLJS-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623640 409793219 /nfs/dbraw/zinc/79/32/19/409793219.db2.gz ZOAARWSOHPGVHG-GHMZBOCLSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622982 409794429 /nfs/dbraw/zinc/79/44/29/409794429.db2.gz VQSYJMYCGPUOPP-SNVBAGLBSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653104815 409796957 /nfs/dbraw/zinc/79/69/57/409796957.db2.gz WEDWRHGYAXPBAZ-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CC[N@@H+](CCOCC[NH3+])[C@H]1CCCOC1 ZINC000308787845 409905749 /nfs/dbraw/zinc/90/57/49/409905749.db2.gz HCCMKEVYQUQBFZ-NSHDSACASA-N 2 1 216.325 0.463 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000662791901 409923623 /nfs/dbraw/zinc/92/36/23/409923623.db2.gz LASNFIVPWOJOBT-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000662791901 409923632 /nfs/dbraw/zinc/92/36/32/409923632.db2.gz LASNFIVPWOJOBT-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834321 409942144 /nfs/dbraw/zinc/94/21/44/409942144.db2.gz FOBMYXJRFKQLLM-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835021 409946187 /nfs/dbraw/zinc/94/61/87/409946187.db2.gz KAYXFYLKSYZDIH-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839440 409949741 /nfs/dbraw/zinc/94/97/41/409949741.db2.gz QPRWLDURWSQYMO-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226877404 487612477 /nfs/dbraw/zinc/61/24/77/487612477.db2.gz JLIZYVNVYCTDJS-GARJFASQSA-N 2 1 200.326 0.830 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673062 487613516 /nfs/dbraw/zinc/61/35/16/487613516.db2.gz IYBFLBZIVWCTJH-VXGBXAGGSA-N 3 1 209.337 0.281 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673062 487613526 /nfs/dbraw/zinc/61/35/26/487613526.db2.gz IYBFLBZIVWCTJH-VXGBXAGGSA-N 3 1 209.337 0.281 20 0 BCADMP CCn1nccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000663514848 410285232 /nfs/dbraw/zinc/28/52/32/410285232.db2.gz UTFTZPJUYMDOPD-GFCCVEGCSA-N 2 1 222.336 0.992 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714656 410347001 /nfs/dbraw/zinc/34/70/01/410347001.db2.gz WTVMWMWIXYPZMX-WRWGMCAJSA-N 2 1 212.337 0.938 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724765 410359777 /nfs/dbraw/zinc/35/97/77/410359777.db2.gz LXBQOUJTADYHNN-JHJVBQTASA-N 3 1 241.379 0.696 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000650742631 410376676 /nfs/dbraw/zinc/37/66/76/410376676.db2.gz AIYVHAQDHMZJAR-OTMMVIPVSA-N 2 1 245.326 0.985 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000130391901 410399538 /nfs/dbraw/zinc/39/95/38/410399538.db2.gz ILQMUVYMCQHWCY-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP N[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761502 410410118 /nfs/dbraw/zinc/41/01/18/410410118.db2.gz ANTZBQLEXNSYCF-RYUDHWBXSA-N 2 1 211.353 0.846 20 0 BCADMP CCc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000394468067 410514969 /nfs/dbraw/zinc/51/49/69/410514969.db2.gz ASTBGDWZMHCOAI-YUMQZZPRSA-N 2 1 208.309 0.917 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000665280680 410756967 /nfs/dbraw/zinc/75/69/67/410756967.db2.gz IZNGVUVYHKCFID-QJPTWQEYSA-N 2 1 213.369 0.900 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000665280680 410756975 /nfs/dbraw/zinc/75/69/75/410756975.db2.gz IZNGVUVYHKCFID-QJPTWQEYSA-N 2 1 213.369 0.900 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000393813916 410761448 /nfs/dbraw/zinc/76/14/48/410761448.db2.gz UDVFKNWSAJOWKY-LBPRGKRZSA-N 2 1 220.320 0.638 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000040673663 410885815 /nfs/dbraw/zinc/88/58/15/410885815.db2.gz BZOBXUNJKXDMEC-ZDUSSCGKSA-N 2 1 247.342 0.969 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359298657 167026001 /nfs/dbraw/zinc/02/60/01/167026001.db2.gz FOSQTHAGOSQFIC-TUAOUCFPSA-N 2 1 237.347 0.147 20 0 BCADMP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000332697879 167032643 /nfs/dbraw/zinc/03/26/43/167032643.db2.gz LSOCAKSKBHCTGH-OUAUKWLOSA-N 2 1 225.336 0.465 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919319 167048294 /nfs/dbraw/zinc/04/82/94/167048294.db2.gz ILRKCNUJHGLRIL-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000042409276 167102034 /nfs/dbraw/zinc/10/20/34/167102034.db2.gz NWULDDVMJIQXQE-UHFFFAOYSA-N 2 1 200.326 0.831 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000123355085 167342653 /nfs/dbraw/zinc/34/26/53/167342653.db2.gz QHNQAGVUQHROHU-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044808502 167396607 /nfs/dbraw/zinc/39/66/07/167396607.db2.gz NNTYKIKJIUBFHF-CMPLNLGQSA-N 2 1 239.363 0.570 20 0 BCADMP [NH3+]CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655961347 411163023 /nfs/dbraw/zinc/16/30/23/411163023.db2.gz OIZUSIJMHHNVOO-MNOVXSKESA-N 2 1 240.351 0.261 20 0 BCADMP COC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659989746 411159271 /nfs/dbraw/zinc/15/92/71/411159271.db2.gz SGNCOTIWOFHRRU-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659989746 411159275 /nfs/dbraw/zinc/15/92/75/411159275.db2.gz SGNCOTIWOFHRRU-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000659989746 411159277 /nfs/dbraw/zinc/15/92/77/411159277.db2.gz SGNCOTIWOFHRRU-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000659989746 411159280 /nfs/dbraw/zinc/15/92/80/411159280.db2.gz SGNCOTIWOFHRRU-CHWSQXEVSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@H](O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000655949090 411161201 /nfs/dbraw/zinc/16/12/01/411161201.db2.gz MDZMOEMNMIFNIC-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655947291 411161584 /nfs/dbraw/zinc/16/15/84/411161584.db2.gz QRBWWDHPHYHLIN-ZDUSSCGKSA-N 2 1 242.363 0.995 20 0 BCADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000652151700 411162156 /nfs/dbraw/zinc/16/21/56/411162156.db2.gz ZYGHGHDYPXBAQC-VXGBXAGGSA-N 2 1 246.395 0.950 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH3+] ZINC000652213646 411172669 /nfs/dbraw/zinc/17/26/69/411172669.db2.gz ZFGJCDHWCGONTC-LLVKDONJSA-N 2 1 244.383 0.611 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405464377 411172880 /nfs/dbraw/zinc/17/28/80/411172880.db2.gz ZKMNGVSEAASAEN-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401037935 411173178 /nfs/dbraw/zinc/17/31/78/411173178.db2.gz ZPBQFUHQCUZCRS-FRRDWIJNSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132956329 411177754 /nfs/dbraw/zinc/17/77/54/411177754.db2.gz MMOYFRJKGAWXFH-VWYCJHECSA-N 2 1 227.352 0.569 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(CCC[NH+](C)C)nn1 ZINC000656437570 411248200 /nfs/dbraw/zinc/24/82/00/411248200.db2.gz XZNQZJYHCFGDKB-UHFFFAOYSA-N 2 1 248.334 0.783 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CS1 ZINC000655754753 411184982 /nfs/dbraw/zinc/18/49/82/411184982.db2.gz HBCMRAGNRURVHO-GRYCIOLGSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CS1 ZINC000655754753 411184984 /nfs/dbraw/zinc/18/49/84/411184984.db2.gz HBCMRAGNRURVHO-GRYCIOLGSA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151924 411186614 /nfs/dbraw/zinc/18/66/14/411186614.db2.gz OXLSXUCBDVHVSS-YPMHNXCESA-N 2 1 242.363 0.267 20 0 BCADMP CCN(C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151924 411186617 /nfs/dbraw/zinc/18/66/17/411186617.db2.gz OXLSXUCBDVHVSS-YPMHNXCESA-N 2 1 242.363 0.267 20 0 BCADMP COCC[N@H+](C)C[C@H](O)CN1CC(C(C)C)C1 ZINC000656151705 411187346 /nfs/dbraw/zinc/18/73/46/411187346.db2.gz BOHOZWCXYPUDIF-ZDUSSCGKSA-N 2 1 244.379 0.513 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1CC(C(C)C)C1 ZINC000656151705 411187347 /nfs/dbraw/zinc/18/73/47/411187347.db2.gz BOHOZWCXYPUDIF-ZDUSSCGKSA-N 2 1 244.379 0.513 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C1 ZINC000656193595 411198070 /nfs/dbraw/zinc/19/80/70/411198070.db2.gz OGHSECPBUUJNOP-AXFHLTTASA-N 2 1 249.362 0.260 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000652338480 411203775 /nfs/dbraw/zinc/20/37/75/411203775.db2.gz ICPMTHOPRFDOEU-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CCC1 ZINC000652337966 411204632 /nfs/dbraw/zinc/20/46/32/411204632.db2.gz SNTUJGJDGCWXCV-LLVKDONJSA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCOC(C)(C)C1 ZINC000652338357 411204943 /nfs/dbraw/zinc/20/49/43/411204943.db2.gz XARHELWDFFILMV-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000656201390 411205769 /nfs/dbraw/zinc/20/57/69/411205769.db2.gz WUJBTCVBWNYAIL-USZNOCQGSA-N 2 1 211.353 0.796 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000652341540 411206884 /nfs/dbraw/zinc/20/68/84/411206884.db2.gz XPJFQJPCRPSFIO-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCOC(C)(C)C ZINC000652343776 411208198 /nfs/dbraw/zinc/20/81/98/411208198.db2.gz XZXNPSKDEWZAJE-GFCCVEGCSA-N 2 1 232.368 0.704 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCOC(C)(C)C ZINC000652343776 411208199 /nfs/dbraw/zinc/20/81/99/411208199.db2.gz XZXNPSKDEWZAJE-GFCCVEGCSA-N 2 1 232.368 0.704 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000652358540 411214855 /nfs/dbraw/zinc/21/48/55/411214855.db2.gz QDBSICUULLNIIR-VHSXEESVSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355974 411215410 /nfs/dbraw/zinc/21/54/10/411215410.db2.gz OIPUSRZBZGEIRO-RYUDHWBXSA-N 3 1 229.368 0.411 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653904188 411218620 /nfs/dbraw/zinc/21/86/20/411218620.db2.gz OURLZMAWVAEQKU-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653904188 411218622 /nfs/dbraw/zinc/21/86/22/411218622.db2.gz OURLZMAWVAEQKU-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653904188 411218625 /nfs/dbraw/zinc/21/86/25/411218625.db2.gz OURLZMAWVAEQKU-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653904188 411218628 /nfs/dbraw/zinc/21/86/28/411218628.db2.gz OURLZMAWVAEQKU-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@H](O)C1)C1CC1 ZINC000310204100 411220210 /nfs/dbraw/zinc/22/02/10/411220210.db2.gz CKMWVQHPISIJMX-WCFLWFBJSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@H](O)C1)C1CC1 ZINC000310204100 411220214 /nfs/dbraw/zinc/22/02/14/411220214.db2.gz CKMWVQHPISIJMX-WCFLWFBJSA-N 2 1 242.363 0.192 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365199072 411246833 /nfs/dbraw/zinc/24/68/33/411246833.db2.gz FSZGDRMJKMJBNN-HBNTYKKESA-N 2 1 225.336 0.324 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000658055751 411222598 /nfs/dbraw/zinc/22/25/98/411222598.db2.gz VNJITCUUZPRGLQ-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP COCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683523 411224314 /nfs/dbraw/zinc/22/43/14/411224314.db2.gz GBPFMQBLGHEWAW-CYBMUJFWSA-N 2 1 242.363 0.866 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655785311 411226633 /nfs/dbraw/zinc/22/66/33/411226633.db2.gz LCYKFCIEQAMUJT-SRVKXCTJSA-N 2 1 230.352 0.456 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612358 411235971 /nfs/dbraw/zinc/23/59/71/411235971.db2.gz WDLJTHMKBDDHCT-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423306957 411237420 /nfs/dbraw/zinc/23/74/20/411237420.db2.gz FWEFNTFYWBFRRN-GFCCVEGCSA-N 2 1 229.368 0.296 20 0 BCADMP CCOCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655695122 411240115 /nfs/dbraw/zinc/24/01/15/411240115.db2.gz RFECNNLKIROEJR-CYBMUJFWSA-N 2 1 242.363 0.866 20 0 BCADMP NC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000396745463 411240312 /nfs/dbraw/zinc/24/03/12/411240312.db2.gz XYVCWYXAVQYVST-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396729298 411240335 /nfs/dbraw/zinc/24/03/35/411240335.db2.gz CUQVALHMGVSAOU-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CCCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459271 411268930 /nfs/dbraw/zinc/26/89/30/411268930.db2.gz SMJHXUAHJLMVMN-UHFFFAOYSA-N 2 1 233.275 0.046 20 0 BCADMP CC(C)c1[nH+]ccn1C[C@H]1C[NH2+]CCO1 ZINC000070649610 411283227 /nfs/dbraw/zinc/28/32/27/411283227.db2.gz WFFVFHGMAPXKOG-SNVBAGLBSA-N 2 1 209.293 0.995 20 0 BCADMP C[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655720269 411288675 /nfs/dbraw/zinc/28/86/75/411288675.db2.gz RPHTXWSPWQCSHA-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062899027 411329149 /nfs/dbraw/zinc/32/91/49/411329149.db2.gz QFAGZUYHVPHUGP-JQWIXIFHSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@H]([NH2+]C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000656560703 411303829 /nfs/dbraw/zinc/30/38/29/411303829.db2.gz GDUBNQNWMQIEBO-SFYZADRCSA-N 2 1 212.297 0.891 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464464 411258829 /nfs/dbraw/zinc/25/88/29/411258829.db2.gz HMKZVTPFPPMGMW-AXFHLTTASA-N 2 1 225.336 0.180 20 0 BCADMP [NH3+][C@@H](c1cn(-c2cc[nH+]cc2)nn1)[C@H]1CCCO1 ZINC000656440776 411259865 /nfs/dbraw/zinc/25/98/65/411259865.db2.gz NJRMFKHZVRSSKI-NEPJUHHUSA-N 2 1 245.286 0.841 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660616467 411355507 /nfs/dbraw/zinc/35/55/07/411355507.db2.gz LOGFAQXVXXSOFM-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660616467 411355509 /nfs/dbraw/zinc/35/55/09/411355509.db2.gz LOGFAQXVXXSOFM-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP COC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660616467 411355510 /nfs/dbraw/zinc/35/55/10/411355510.db2.gz LOGFAQXVXXSOFM-OLZOCXBDSA-N 2 1 242.363 0.675 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787585 411366279 /nfs/dbraw/zinc/36/62/79/411366279.db2.gz NXTLPRKJSIMVDP-OLZOCXBDSA-N 2 1 249.362 0.600 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO)CCN1C ZINC000123476713 411368208 /nfs/dbraw/zinc/36/82/08/411368208.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCCO)CC[N@@H+]1C ZINC000123476713 411368211 /nfs/dbraw/zinc/36/82/11/411368211.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@H]([NH+](C)CCCO)CC[N@H+]1C ZINC000123476713 411368214 /nfs/dbraw/zinc/36/82/14/411368214.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)CCCO)CC[NH+]1C ZINC000123476713 411368216 /nfs/dbraw/zinc/36/82/16/411368216.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO)CC[NH+]1C ZINC000123476713 411368220 /nfs/dbraw/zinc/36/82/20/411368220.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000656791352 411370613 /nfs/dbraw/zinc/37/06/13/411370613.db2.gz ZHEPGLWVRUUHJB-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@]12COC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656791682 411370906 /nfs/dbraw/zinc/37/09/06/411370906.db2.gz IYGGKPWJSGSTBD-CHWSQXEVSA-N 2 1 224.348 0.954 20 0 BCADMP CCCCOCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150949 411336389 /nfs/dbraw/zinc/33/63/89/411336389.db2.gz SECVPIRBKCMPOA-UHFFFAOYSA-N 2 1 243.395 0.640 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cn(C)nn2)CC[NH2+]1 ZINC000656792134 411372122 /nfs/dbraw/zinc/37/21/22/411372122.db2.gz OCDGGQFMIQGMDQ-GHMZBOCLSA-N 2 1 237.351 0.635 20 0 BCADMP C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287049 411388404 /nfs/dbraw/zinc/38/84/04/411388404.db2.gz INJNLMXMRQCMAQ-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309448642 411397064 /nfs/dbraw/zinc/39/70/64/411397064.db2.gz PODQJRVBRIVXIQ-RYUDHWBXSA-N 2 1 230.352 0.192 20 0 BCADMP CCC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309448642 411397065 /nfs/dbraw/zinc/39/70/65/411397065.db2.gz PODQJRVBRIVXIQ-RYUDHWBXSA-N 2 1 230.352 0.192 20 0 BCADMP c1ncn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000336692261 411400479 /nfs/dbraw/zinc/40/04/79/411400479.db2.gz HNICZKBJVWECNU-NWDGAFQWSA-N 2 1 235.335 0.495 20 0 BCADMP CC(C)O[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000404653954 411403146 /nfs/dbraw/zinc/40/31/46/411403146.db2.gz SFPXHDXYLYYFPD-GFCCVEGCSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+](C)C)C1 ZINC000654548429 411411072 /nfs/dbraw/zinc/41/10/72/411411072.db2.gz QNDJXWKHEWYULO-NWDGAFQWSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659449092 411416609 /nfs/dbraw/zinc/41/66/09/411416609.db2.gz QFMJAFIUNRMPPH-WDEREUQCSA-N 2 1 244.383 0.624 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659460319 411417610 /nfs/dbraw/zinc/41/76/10/411417610.db2.gz OAIJNDLMDOHOQH-DCAQKATOSA-N 2 1 242.367 0.376 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CCO)CC(C)(C)C ZINC000653553911 411420131 /nfs/dbraw/zinc/42/01/31/411420131.db2.gz ISTWCTPZNYOUKH-LBPRGKRZSA-N 2 1 246.395 0.639 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CC(C)(C)C ZINC000653553911 411420134 /nfs/dbraw/zinc/42/01/34/411420134.db2.gz ISTWCTPZNYOUKH-LBPRGKRZSA-N 2 1 246.395 0.639 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)CC(C)(C)C ZINC000653553911 411420142 /nfs/dbraw/zinc/42/01/42/411420142.db2.gz ISTWCTPZNYOUKH-LBPRGKRZSA-N 2 1 246.395 0.639 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564746 411422503 /nfs/dbraw/zinc/42/25/03/411422503.db2.gz KFKMETUCRZJPBS-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564746 411422507 /nfs/dbraw/zinc/42/25/07/411422507.db2.gz KFKMETUCRZJPBS-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000653564746 411422514 /nfs/dbraw/zinc/42/25/14/411422514.db2.gz KFKMETUCRZJPBS-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1COC ZINC000653564746 411422516 /nfs/dbraw/zinc/42/25/16/411422516.db2.gz KFKMETUCRZJPBS-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000659510401 411424780 /nfs/dbraw/zinc/42/47/80/411424780.db2.gz ORSRYNMTPSKYGN-SNVBAGLBSA-N 2 1 228.340 0.119 20 0 BCADMP CCO[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1C[NH3+] ZINC000405370627 411427054 /nfs/dbraw/zinc/42/70/54/411427054.db2.gz JLWMSYZISCHMKS-GMTAPVOTSA-N 2 1 216.325 0.317 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612975 411439746 /nfs/dbraw/zinc/43/97/46/411439746.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000653612975 411439747 /nfs/dbraw/zinc/43/97/47/411439747.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC)CC1 ZINC000653612975 411439749 /nfs/dbraw/zinc/43/97/49/411439749.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414689701 411439860 /nfs/dbraw/zinc/43/98/60/411439860.db2.gz GNNTZWHFXLHYGD-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414689734 411439867 /nfs/dbraw/zinc/43/98/67/411439867.db2.gz GSRIEHMXSUBVGS-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000654764286 411440671 /nfs/dbraw/zinc/44/06/71/411440671.db2.gz YKOBXDZOQMNHDA-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000654764286 411440674 /nfs/dbraw/zinc/44/06/74/411440674.db2.gz YKOBXDZOQMNHDA-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000654764286 411440678 /nfs/dbraw/zinc/44/06/78/411440678.db2.gz YKOBXDZOQMNHDA-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000654764286 411440682 /nfs/dbraw/zinc/44/06/82/411440682.db2.gz YKOBXDZOQMNHDA-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659440454 411441859 /nfs/dbraw/zinc/44/18/59/411441859.db2.gz HNFJWEAGEUPVGZ-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP CCO[C@@H]1C[N@H+]([C@@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852823 411443287 /nfs/dbraw/zinc/44/32/87/411443287.db2.gz KFCWZQKPZHNZIR-QJPTWQEYSA-N 2 1 230.352 0.707 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000659635973 411445449 /nfs/dbraw/zinc/44/54/49/411445449.db2.gz SFHNPATVRVIAAI-LLVKDONJSA-N 2 1 240.351 0.155 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633946 411465892 /nfs/dbraw/zinc/46/58/92/411465892.db2.gz CIUPAQNGNOJENJ-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168019 170006952 /nfs/dbraw/zinc/00/69/52/170006952.db2.gz SMIVJPVJSJQAJZ-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000037484157 170007011 /nfs/dbraw/zinc/00/70/11/170007011.db2.gz VXSQCQOFBYSDOU-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)[C@H](C)C1 ZINC000358348706 170012519 /nfs/dbraw/zinc/01/25/19/170012519.db2.gz WBQDDUIVYLGEFY-VXGBXAGGSA-N 2 1 242.363 0.315 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037643507 170014928 /nfs/dbraw/zinc/01/49/28/170014928.db2.gz JTIIIXKYYWMFHT-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040922629 170015083 /nfs/dbraw/zinc/01/50/83/170015083.db2.gz LYMHVJJMBBWVIB-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037643429 170015361 /nfs/dbraw/zinc/01/53/61/170015361.db2.gz LTJCCLCXRPBKSN-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000037484134 170015459 /nfs/dbraw/zinc/01/54/59/170015459.db2.gz AWHNLYIRYMEVNU-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018202 /nfs/dbraw/zinc/01/82/02/170018202.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018203 /nfs/dbraw/zinc/01/82/03/170018203.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018205 /nfs/dbraw/zinc/01/82/05/170018205.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 3 1 243.395 0.766 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018207 /nfs/dbraw/zinc/01/82/07/170018207.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018208 /nfs/dbraw/zinc/01/82/08/170018208.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+]1CC[C@H](N(C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018210 /nfs/dbraw/zinc/01/82/10/170018210.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018211 /nfs/dbraw/zinc/01/82/11/170018211.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000357253134 170019068 /nfs/dbraw/zinc/01/90/68/170019068.db2.gz WRUGUOCSNKKDDI-TUAOUCFPSA-N 2 1 241.379 0.912 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)COC)[C@@H](C)C1 ZINC000305766299 170020153 /nfs/dbraw/zinc/02/01/53/170020153.db2.gz FRESOFLJMYGSGF-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)[C@H](C)C1 ZINC000358224506 170020450 /nfs/dbraw/zinc/02/04/50/170020450.db2.gz QXQUBJFMKFFZSZ-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CO)[C@H](C)C1 ZINC000123309171 170022647 /nfs/dbraw/zinc/02/26/47/170022647.db2.gz BYPJZLPKGFKBCN-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@@H](C)C1 ZINC000336778403 170021695 /nfs/dbraw/zinc/02/16/95/170021695.db2.gz LHIZJRSNACUMCZ-LPEHRKFASA-N 2 1 236.306 0.932 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@H](C)C1 ZINC000309910797 170022150 /nfs/dbraw/zinc/02/21/50/170022150.db2.gz MRXNRUVLSHJQLF-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000361669734 170022588 /nfs/dbraw/zinc/02/25/88/170022588.db2.gz DIOUJBXLJJBFGF-TUAOUCFPSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC000309969974 170022973 /nfs/dbraw/zinc/02/29/73/170022973.db2.gz OYHNLUMXCLMYAK-VWYCJHECSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC000309969974 170022974 /nfs/dbraw/zinc/02/29/74/170022974.db2.gz OYHNLUMXCLMYAK-VWYCJHECSA-N 2 1 227.352 0.441 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908709 170095657 /nfs/dbraw/zinc/09/56/57/170095657.db2.gz RJKXMPYNIGBTPZ-FIQHERPVSA-N 2 1 241.379 0.829 20 0 BCADMP CC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000358917510 170138670 /nfs/dbraw/zinc/13/86/70/170138670.db2.gz VDGQEIYXBQCRSB-SDDRHHMPSA-N 2 1 241.379 0.973 20 0 BCADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000657543834 411547510 /nfs/dbraw/zinc/54/75/10/411547510.db2.gz NCZSFDBWMJQTRF-WCQYABFASA-N 2 1 242.363 0.722 20 0 BCADMP CCOC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475019 170219620 /nfs/dbraw/zinc/21/96/20/170219620.db2.gz BUGXLGMTQQBPNY-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724101 170247630 /nfs/dbraw/zinc/24/76/30/170247630.db2.gz YGJSKEHPOUFDMJ-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130896240 170267776 /nfs/dbraw/zinc/26/77/76/170267776.db2.gz PZECWSHAZXPQEI-YFKTTZPYSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130896240 170267778 /nfs/dbraw/zinc/26/77/78/170267778.db2.gz PZECWSHAZXPQEI-YFKTTZPYSA-N 2 1 240.347 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212781 170271890 /nfs/dbraw/zinc/27/18/90/170271890.db2.gz CAACEFVLEPLWMD-MXWKQRLJSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212781 170271892 /nfs/dbraw/zinc/27/18/92/170271892.db2.gz CAACEFVLEPLWMD-MXWKQRLJSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000251217988 170272099 /nfs/dbraw/zinc/27/20/99/170272099.db2.gz FMWGIKWPQRPTRV-MXWKQRLJSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000251217988 170272101 /nfs/dbraw/zinc/27/21/01/170272101.db2.gz FMWGIKWPQRPTRV-MXWKQRLJSA-N 2 1 228.336 0.997 20 0 BCADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1(CO)CC1 ZINC000657603775 411563187 /nfs/dbraw/zinc/56/31/87/411563187.db2.gz QLNWOVYWDLUOEO-JTQLQIEISA-N 2 1 212.337 0.831 20 0 BCADMP CCOC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000309429579 170329126 /nfs/dbraw/zinc/32/91/26/170329126.db2.gz FWUIONIEYLLABX-MCIGGMRASA-N 2 1 228.336 0.210 20 0 BCADMP CCOC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000309429579 170329127 /nfs/dbraw/zinc/32/91/27/170329127.db2.gz FWUIONIEYLLABX-MCIGGMRASA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657829790 411608789 /nfs/dbraw/zinc/60/87/89/411608789.db2.gz IHHPFHGGRAGJSV-NSHDSACASA-N 2 1 249.362 0.883 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659373 411614428 /nfs/dbraw/zinc/61/44/28/411614428.db2.gz ORVPHAGNRNXCMI-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659373 411614429 /nfs/dbraw/zinc/61/44/29/411614429.db2.gz ORVPHAGNRNXCMI-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659373 411614430 /nfs/dbraw/zinc/61/44/30/411614430.db2.gz ORVPHAGNRNXCMI-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620142 /nfs/dbraw/zinc/62/01/42/411620142.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620143 /nfs/dbraw/zinc/62/01/43/411620143.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620144 /nfs/dbraw/zinc/62/01/44/411620144.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620145 /nfs/dbraw/zinc/62/01/45/411620145.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 2 1 230.352 0.143 20 0 BCADMP Cc1cc(NC[C@H]2C[NH2+]CCCO2)nc(C)[nH+]1 ZINC000333562395 411652113 /nfs/dbraw/zinc/65/21/13/411652113.db2.gz OHAOFBHFMMEBEG-LLVKDONJSA-N 2 1 236.319 0.884 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500051 411683462 /nfs/dbraw/zinc/68/34/62/411683462.db2.gz IMZFEFWNHBWVJM-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000663503933 411687442 /nfs/dbraw/zinc/68/74/42/411687442.db2.gz UHHWAYDLNDDKGB-NEPJUHHUSA-N 3 1 213.369 0.949 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000663512054 411691591 /nfs/dbraw/zinc/69/15/91/411691591.db2.gz DWCPPEGRLUPPKY-WOPDTQHZSA-N 2 1 213.369 0.914 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CCCc3n[nH]cc3C2)CC1 ZINC000663511361 411693308 /nfs/dbraw/zinc/69/33/08/411693308.db2.gz UYEPDGHBDVEKMA-UHFFFAOYSA-N 2 1 220.320 0.897 20 0 BCADMP [NH3+]CC1(C[N@H+]2CCCc3n[nH]cc3C2)CC1 ZINC000663511361 411693312 /nfs/dbraw/zinc/69/33/12/411693312.db2.gz UYEPDGHBDVEKMA-UHFFFAOYSA-N 2 1 220.320 0.897 20 0 BCADMP c1cc2c(nc[nH+]c2NC[C@H]2C[NH2+]CCCO2)[nH]1 ZINC000563662814 411702467 /nfs/dbraw/zinc/70/24/67/411702467.db2.gz DSGZBVFIBMPMLN-SECBINFHSA-N 2 1 247.302 0.748 20 0 BCADMP CC[C@](C)([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068542 411886191 /nfs/dbraw/zinc/88/61/91/411886191.db2.gz QDQLTXFCULEESS-LBPRGKRZSA-N 2 1 246.318 0.888 20 0 BCADMP CN1CCN(CC[C@@H]2CCC[N@H+]2C)CCC1=O ZINC000661807119 411887291 /nfs/dbraw/zinc/88/72/91/411887291.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC1([NH2+]Cc2ccc(N)nc2)CC[NH2+]CC1 ZINC000647547384 411891256 /nfs/dbraw/zinc/89/12/56/411891256.db2.gz UWQSTAJAAWYMMZ-UHFFFAOYSA-N 2 1 220.320 0.896 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661825164 411892892 /nfs/dbraw/zinc/89/28/92/411892892.db2.gz CXJWGHHGLYJNDE-NEPJUHHUSA-N 2 1 235.331 0.856 20 0 BCADMP CCCCNc1cc(NC[C@@H](C)[NH3+])nc(N)[nH+]1 ZINC000643035654 411901222 /nfs/dbraw/zinc/90/12/22/411901222.db2.gz QWRYMVCFVCBKNY-MRVPVSSYSA-N 2 1 238.339 0.452 20 0 BCADMP CCCCNc1cc(NC[C@H](C)[NH3+])nc(N)[nH+]1 ZINC000643035655 411902406 /nfs/dbraw/zinc/90/24/06/411902406.db2.gz QWRYMVCFVCBKNY-QMMMGPOBSA-N 2 1 238.339 0.452 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000566244622 411902946 /nfs/dbraw/zinc/90/29/46/411902946.db2.gz GCEFHKRMQAVVTM-NSHDSACASA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000566244622 411902951 /nfs/dbraw/zinc/90/29/51/411902951.db2.gz GCEFHKRMQAVVTM-NSHDSACASA-N 2 1 220.320 0.705 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000634999107 411908505 /nfs/dbraw/zinc/90/85/05/411908505.db2.gz QBOJWUSBEHFTOQ-HTQZYQBOSA-N 2 1 226.349 0.752 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000634998336 411910614 /nfs/dbraw/zinc/91/06/14/411910614.db2.gz DJUHSHWKHNWCHM-MWLCHTKSSA-N 2 1 220.320 0.690 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N)s2)CC[NH2+]1 ZINC000516867308 411912347 /nfs/dbraw/zinc/91/23/47/411912347.db2.gz QHWWBUXKOSTZLQ-HTQZYQBOSA-N 2 1 226.349 0.955 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000661967368 411924199 /nfs/dbraw/zinc/92/41/99/411924199.db2.gz OPDDYBUYENVKCB-GVXVVHGQSA-N 2 1 224.348 0.783 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000661967368 411924202 /nfs/dbraw/zinc/92/42/02/411924202.db2.gz OPDDYBUYENVKCB-GVXVVHGQSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000661967368 411924206 /nfs/dbraw/zinc/92/42/06/411924206.db2.gz OPDDYBUYENVKCB-GVXVVHGQSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000661967368 411924212 /nfs/dbraw/zinc/92/42/12/411924212.db2.gz OPDDYBUYENVKCB-GVXVVHGQSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N)nc2)CC[NH2+]1 ZINC000647547095 411932724 /nfs/dbraw/zinc/93/27/24/411932724.db2.gz NLWPGOZMGHVLGO-ONGXEEELSA-N 2 1 220.320 0.894 20 0 BCADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N)nc1 ZINC000647546737 411878664 /nfs/dbraw/zinc/87/86/64/411878664.db2.gz ZFSLKLBWMKQTNB-JTQLQIEISA-N 2 1 208.309 0.737 20 0 BCADMP C[N@H+](Cc1ccnc(N)c1)C1CC[NH2+]CC1 ZINC000578749736 411881085 /nfs/dbraw/zinc/88/10/85/411881085.db2.gz BMQLEYJNJDKRJG-UHFFFAOYSA-N 2 1 220.320 0.848 20 0 BCADMP C[N@@H+](Cc1ccnc(N)c1)C1CC[NH2+]CC1 ZINC000578749736 411881093 /nfs/dbraw/zinc/88/10/93/411881093.db2.gz BMQLEYJNJDKRJG-UHFFFAOYSA-N 2 1 220.320 0.848 20 0 BCADMP Nc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000574321844 411964972 /nfs/dbraw/zinc/96/49/72/411964972.db2.gz GVPVXWJEVUNMNQ-MRVPVSSYSA-N 2 1 226.349 0.957 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001735 /nfs/dbraw/zinc/00/17/35/412001735.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001737 /nfs/dbraw/zinc/00/17/37/412001737.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001739 /nfs/dbraw/zinc/00/17/39/412001739.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 2 1 244.379 0.249 20 0 BCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152715 412008685 /nfs/dbraw/zinc/00/86/85/412008685.db2.gz YDZPKMMRCLBOMG-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152715 412008687 /nfs/dbraw/zinc/00/86/87/412008687.db2.gz YDZPKMMRCLBOMG-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000662153782 412008789 /nfs/dbraw/zinc/00/87/89/412008789.db2.gz CBZPJRRJKVGFMS-CYBMUJFWSA-N 2 1 224.348 0.927 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219974915 412009060 /nfs/dbraw/zinc/00/90/60/412009060.db2.gz UHWANJPHWODOJM-SNVBAGLBSA-N 2 1 227.352 0.583 20 0 BCADMP CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153617 412009333 /nfs/dbraw/zinc/00/93/33/412009333.db2.gz ASCOIGAUIVVIDP-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033221 411950643 /nfs/dbraw/zinc/95/06/43/411950643.db2.gz IXKLZTGDZRJDFO-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033221 411950645 /nfs/dbraw/zinc/95/06/45/411950645.db2.gz IXKLZTGDZRJDFO-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033221 411950653 /nfs/dbraw/zinc/95/06/53/411950653.db2.gz IXKLZTGDZRJDFO-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033221 411950656 /nfs/dbraw/zinc/95/06/56/411950656.db2.gz IXKLZTGDZRJDFO-AVGNSLFASA-N 2 1 242.363 0.267 20 0 BCADMP Nc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000566229439 411962964 /nfs/dbraw/zinc/96/29/64/411962964.db2.gz BZYZRBVSHPHQCR-MRVPVSSYSA-N 2 1 226.349 0.815 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)OC ZINC000662265549 412058783 /nfs/dbraw/zinc/05/87/83/412058783.db2.gz QXKRMOIVGLMIMP-AXFHLTTASA-N 2 1 216.325 0.317 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662236133 412033904 /nfs/dbraw/zinc/03/39/04/412033904.db2.gz CTOBERMAZZOJAD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662236133 412033911 /nfs/dbraw/zinc/03/39/11/412033911.db2.gz CTOBERMAZZOJAD-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662236132 412034549 /nfs/dbraw/zinc/03/45/49/412034549.db2.gz CTOBERMAZZOJAD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662236132 412034551 /nfs/dbraw/zinc/03/45/51/412034551.db2.gz CTOBERMAZZOJAD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)OC ZINC000662238450 412034947 /nfs/dbraw/zinc/03/49/47/412034947.db2.gz QBJVMNWNGJVOPO-LLVKDONJSA-N 2 1 216.325 0.332 20 0 BCADMP [NH3+]C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662239472 412037771 /nfs/dbraw/zinc/03/77/71/412037771.db2.gz CRPMHVZOTOSTJS-VIFPVBQESA-N 2 1 220.263 0.834 20 0 BCADMP COC[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])OC ZINC000662243393 412039721 /nfs/dbraw/zinc/03/97/21/412039721.db2.gz CTWDQCVFSMPNMT-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP COC[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])OC ZINC000662243393 412039723 /nfs/dbraw/zinc/03/97/23/412039723.db2.gz CTWDQCVFSMPNMT-NXEZZACHSA-N 2 1 202.298 0.071 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662244649 412041302 /nfs/dbraw/zinc/04/13/02/412041302.db2.gz FADJDAZFYJQDRW-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662244649 412041305 /nfs/dbraw/zinc/04/13/05/412041305.db2.gz FADJDAZFYJQDRW-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662246821 412043152 /nfs/dbraw/zinc/04/31/52/412043152.db2.gz SGNLQJUUPGTLEL-RKDXNWHRSA-N 2 1 220.263 0.691 20 0 BCADMP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)ncn1 ZINC000662247574 412044589 /nfs/dbraw/zinc/04/45/89/412044589.db2.gz XWPKDVYHOPVYMW-UHFFFAOYSA-N 2 1 249.362 0.122 20 0 BCADMP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ncn1 ZINC000662247574 412044592 /nfs/dbraw/zinc/04/45/92/412044592.db2.gz XWPKDVYHOPVYMW-UHFFFAOYSA-N 2 1 249.362 0.122 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251536 412049416 /nfs/dbraw/zinc/04/94/16/412049416.db2.gz DXWATNYALRASBP-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662264102 412056163 /nfs/dbraw/zinc/05/61/63/412056163.db2.gz AUKBGEXISYFYFH-USZNOCQGSA-N 2 1 210.321 0.692 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662264102 412056165 /nfs/dbraw/zinc/05/61/65/412056165.db2.gz AUKBGEXISYFYFH-USZNOCQGSA-N 2 1 210.321 0.692 20 0 BCADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000662265248 412056429 /nfs/dbraw/zinc/05/64/29/412056429.db2.gz OMGOQJYDEWGBTA-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ncn1 ZINC000662265248 412056432 /nfs/dbraw/zinc/05/64/32/412056432.db2.gz OMGOQJYDEWGBTA-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)CC[C@H]1[NH3+] ZINC000662269806 412061110 /nfs/dbraw/zinc/06/11/10/412061110.db2.gz FRDNNVSTZYVLIB-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)CC[C@H]1[NH3+] ZINC000662269806 412061114 /nfs/dbraw/zinc/06/11/14/412061114.db2.gz FRDNNVSTZYVLIB-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272571 412062247 /nfs/dbraw/zinc/06/22/47/412062247.db2.gz GSZMGLVUCFPNJO-NWDGAFQWSA-N 3 1 239.363 0.178 20 0 BCADMP C[C@]1(C[NH3+])CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272571 412062252 /nfs/dbraw/zinc/06/22/52/412062252.db2.gz GSZMGLVUCFPNJO-NWDGAFQWSA-N 2 1 239.363 0.178 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ncn1 ZINC000662272429 412062855 /nfs/dbraw/zinc/06/28/55/412062855.db2.gz MSDOFWYFOWKELZ-GFCCVEGCSA-N 2 1 220.320 0.956 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ncn1 ZINC000662272429 412062860 /nfs/dbraw/zinc/06/28/60/412062860.db2.gz MSDOFWYFOWKELZ-GFCCVEGCSA-N 2 1 220.320 0.956 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000375846330 171099767 /nfs/dbraw/zinc/09/97/67/171099767.db2.gz DSGMRNTWAAHYBD-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000042308387 171111764 /nfs/dbraw/zinc/11/17/64/171111764.db2.gz QYVQIHARHSVCMZ-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP COC[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)OC ZINC000662273736 412064720 /nfs/dbraw/zinc/06/47/20/412064720.db2.gz ZIFGJYIDTBNCDU-VXGBXAGGSA-N 2 1 230.352 0.709 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000353513199 171149302 /nfs/dbraw/zinc/14/93/02/171149302.db2.gz KRIJDTBLTZJGFI-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)C[NH3+] ZINC000662277661 412069538 /nfs/dbraw/zinc/06/95/38/412069538.db2.gz RPOKVWPFHFINDR-ZDUSSCGKSA-N 3 1 249.358 0.084 20 0 BCADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)C[NH3+] ZINC000662277661 412069539 /nfs/dbraw/zinc/06/95/39/412069539.db2.gz RPOKVWPFHFINDR-ZDUSSCGKSA-N 3 1 249.358 0.084 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000662276902 412069724 /nfs/dbraw/zinc/06/97/24/412069724.db2.gz NDEVHCMDURRTPB-CHWSQXEVSA-N 2 1 244.379 0.833 20 0 BCADMP CC[C@@](C)([NH2+]CCn1cc[nH+]c1C)C(N)=O ZINC000303492056 171175320 /nfs/dbraw/zinc/17/53/20/171175320.db2.gz JANVLTOKFIBUDT-LLVKDONJSA-N 2 1 224.308 0.435 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286921 412077265 /nfs/dbraw/zinc/07/72/65/412077265.db2.gz UANFPPHWAJGCSP-UTUOFQBUSA-N 2 1 240.347 0.353 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000338269352 171227987 /nfs/dbraw/zinc/22/79/87/171227987.db2.gz CSVMASSHHGEPGW-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000338963478 171233502 /nfs/dbraw/zinc/23/35/02/171233502.db2.gz KCEDLNMJVPFPHL-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000338272776 171233701 /nfs/dbraw/zinc/23/37/01/171233701.db2.gz UNRHWIFEWOVOOU-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283822 412075177 /nfs/dbraw/zinc/07/51/77/412075177.db2.gz QGJBTTUODAZOCA-IJLUTSLNSA-N 2 1 239.363 0.367 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042554811 171365997 /nfs/dbraw/zinc/36/59/97/171365997.db2.gz CLJNJFTYRZOXQU-AXFHLTTASA-N 2 1 202.342 0.933 20 0 BCADMP CCCCNC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662294036 412081829 /nfs/dbraw/zinc/08/18/29/412081829.db2.gz ZOVLTOOAUWCDQK-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294036 412081832 /nfs/dbraw/zinc/08/18/32/412081832.db2.gz ZOVLTOOAUWCDQK-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042554817 171389327 /nfs/dbraw/zinc/38/93/27/171389327.db2.gz CLJNJFTYRZOXQU-DCAQKATOSA-N 2 1 202.342 0.933 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054132969 171395188 /nfs/dbraw/zinc/39/51/88/171395188.db2.gz SOSFHJFTKIUKQD-UWVGGRQHSA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000662388593 412140050 /nfs/dbraw/zinc/14/00/50/412140050.db2.gz ROKIGTWSPPFYOI-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000662387167 412140370 /nfs/dbraw/zinc/14/03/70/412140370.db2.gz ITWWLEWYZVRGFT-UTUOFQBUSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000662300787 412087172 /nfs/dbraw/zinc/08/71/72/412087172.db2.gz JOGMMXWECHYYKH-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000662301227 412087511 /nfs/dbraw/zinc/08/75/11/412087511.db2.gz PMDRXCVYXFLKDJ-GHMZBOCLSA-N 2 1 200.326 0.818 20 0 BCADMP C[C@H]1C[N@H+](CCN2CC3CC2(C[NH3+])C3)CCO1 ZINC000662305278 412091619 /nfs/dbraw/zinc/09/16/19/412091619.db2.gz HAOZIFRTCRIMGE-HIFPTAJRSA-N 2 1 239.363 0.130 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CC3CC2(C[NH3+])C3)CCO1 ZINC000662305278 412091620 /nfs/dbraw/zinc/09/16/20/412091620.db2.gz HAOZIFRTCRIMGE-HIFPTAJRSA-N 2 1 239.363 0.130 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307731 412092280 /nfs/dbraw/zinc/09/22/80/412092280.db2.gz YJXANWIVQABUJX-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662306782 412092766 /nfs/dbraw/zinc/09/27/66/412092766.db2.gz SKDWQONGXZRFIC-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307733 412093055 /nfs/dbraw/zinc/09/30/55/412093055.db2.gz YKRKZGXLVLKITQ-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312205 412094534 /nfs/dbraw/zinc/09/45/34/412094534.db2.gz XMPJXTAEXQJKFU-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314410 412095533 /nfs/dbraw/zinc/09/55/33/412095533.db2.gz PABORIIHQOULCV-GRYCIOLGSA-N 2 1 230.352 0.456 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316193 412096598 /nfs/dbraw/zinc/09/65/98/412096598.db2.gz WMBREFXLGWWWOI-GFCCVEGCSA-N 2 1 228.336 0.464 20 0 BCADMP C[C@H](O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322949 412101173 /nfs/dbraw/zinc/10/11/73/412101173.db2.gz JWOJEBBNQJSAPO-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP N[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325925 412101988 /nfs/dbraw/zinc/10/19/88/412101988.db2.gz LMCGYDNDNQYLPI-GMTAPVOTSA-N 2 1 215.316 0.357 20 0 BCADMP [NH3+][C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325925 412101991 /nfs/dbraw/zinc/10/19/91/412101991.db2.gz LMCGYDNDNQYLPI-GMTAPVOTSA-N 2 1 215.316 0.357 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662332464 412106339 /nfs/dbraw/zinc/10/63/39/412106339.db2.gz WDQNDNVLTIOYIX-ZYHUDNBSSA-N 2 1 214.353 0.935 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662384906 412129665 /nfs/dbraw/zinc/12/96/65/412129665.db2.gz AVNVDXPTNYMSER-CXQJBGSLSA-N 2 1 212.337 0.783 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662384906 412129668 /nfs/dbraw/zinc/12/96/68/412129668.db2.gz AVNVDXPTNYMSER-CXQJBGSLSA-N 2 1 212.337 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2CC1(C)C2 ZINC000662384906 412129673 /nfs/dbraw/zinc/12/96/73/412129673.db2.gz AVNVDXPTNYMSER-CXQJBGSLSA-N 2 1 212.337 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC2CC1(C)C2 ZINC000662384906 412129675 /nfs/dbraw/zinc/12/96/75/412129675.db2.gz AVNVDXPTNYMSER-CXQJBGSLSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000662442111 412177089 /nfs/dbraw/zinc/17/70/89/412177089.db2.gz QJPLFGZMECNPAR-MWLCHTKSSA-N 2 1 227.352 0.583 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000662447457 412177481 /nfs/dbraw/zinc/17/74/81/412177481.db2.gz WJOAYGAWVJYMAE-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000662457847 412180996 /nfs/dbraw/zinc/18/09/96/412180996.db2.gz SYUSLMYAGUOBOL-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000665241612 412184498 /nfs/dbraw/zinc/18/44/98/412184498.db2.gz STSMDFUDXQTYRF-ZDEQEGDKSA-N 2 1 223.364 0.811 20 0 BCADMP C1C[C@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000665242918 412186361 /nfs/dbraw/zinc/18/63/61/412186361.db2.gz OMHPFRBJLVWDAJ-WOPDTQHZSA-N 2 1 209.337 0.565 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662486270 412191049 /nfs/dbraw/zinc/19/10/49/412191049.db2.gz WEDSCVGJNNKHSX-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CN(C)c1nc(NCC2([NH+](C)C)CC2)cc[nH+]1 ZINC000397865049 412200341 /nfs/dbraw/zinc/20/03/41/412200341.db2.gz QDZDWMSJGYAWQJ-UHFFFAOYSA-N 2 1 235.335 1.049 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000662514197 412201594 /nfs/dbraw/zinc/20/15/94/412201594.db2.gz LIRBXOGIUVDUHD-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000662514199 412201713 /nfs/dbraw/zinc/20/17/13/412201713.db2.gz LIRBXOGIUVDUHD-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662539666 412208302 /nfs/dbraw/zinc/20/83/02/412208302.db2.gz HBKWPWNDDNTXHU-KXUCPTDWSA-N 2 1 225.336 0.336 20 0 BCADMP [NH3+]CCCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662394295 412145118 /nfs/dbraw/zinc/14/51/18/412145118.db2.gz TVIDMXLCYCKZOS-SNVBAGLBSA-N 2 1 243.257 0.430 20 0 BCADMP COC[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@H]1C)OC ZINC000665235319 412165632 /nfs/dbraw/zinc/16/56/32/412165632.db2.gz UEGXJWWYCAAKHZ-WOPDTQHZSA-N 2 1 230.352 0.626 20 0 BCADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665229281 412169110 /nfs/dbraw/zinc/16/91/10/412169110.db2.gz UOPOVFSOTBAPJY-WOPDTQHZSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000665234412 412173756 /nfs/dbraw/zinc/17/37/56/412173756.db2.gz CKLWTWUUAGRKMO-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662659379 412259450 /nfs/dbraw/zinc/25/94/50/412259450.db2.gz LFJRHBLQDKXRIB-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679774 412268895 /nfs/dbraw/zinc/26/88/95/412268895.db2.gz BSESZVRCBQWMJY-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000662682691 412269671 /nfs/dbraw/zinc/26/96/71/412269671.db2.gz RZNWDXGPLARDIS-DDHJBXDOSA-N 2 1 237.347 0.467 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662685797 412270423 /nfs/dbraw/zinc/27/04/23/412270423.db2.gz XWEUEPRZMAAYHQ-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703514 412276566 /nfs/dbraw/zinc/27/65/66/412276566.db2.gz LBJZXNIAHCRHFX-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662731470 412286653 /nfs/dbraw/zinc/28/66/53/412286653.db2.gz DFWHCWPBYBRLAT-NAKRPEOUSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@H+]1C1CC1 ZINC000665277517 412221811 /nfs/dbraw/zinc/22/18/11/412221811.db2.gz DFDRRKNGBCCXRT-KTEZZQQRSA-N 2 1 235.375 0.953 20 0 BCADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279916 412224464 /nfs/dbraw/zinc/22/44/64/412224464.db2.gz PHWZSOLYPGAWLR-QUNCOHTASA-N 2 1 237.347 0.385 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280022 412225127 /nfs/dbraw/zinc/22/51/27/412225127.db2.gz RDYQTMCXBKXIML-CXQJBGSLSA-N 2 1 235.335 0.398 20 0 BCADMP C[NH2+]CCCC(=O)N(C)Cc1cnc[nH]1 ZINC000662585602 412230214 /nfs/dbraw/zinc/23/02/14/412230214.db2.gz KRRJVINYLORYAF-UHFFFAOYSA-N 2 1 210.281 0.368 20 0 BCADMP CC(C)[C@@H](C(=O)N(C)Cc1cnc[nH]1)[C@@H](C)[NH3+] ZINC000662586175 412230243 /nfs/dbraw/zinc/23/02/43/412230243.db2.gz PZFSGAHTQUMVBI-MWLCHTKSSA-N 2 1 238.335 0.988 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)CC1(C[NH3+])CC1 ZINC000662585149 412230701 /nfs/dbraw/zinc/23/07/01/412230701.db2.gz IBDAWYFKHHVTAU-UHFFFAOYSA-N 2 1 222.292 0.497 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCC[N@H+]1C ZINC000662611295 412240880 /nfs/dbraw/zinc/24/08/80/412240880.db2.gz XTGZKXNBBDOWMV-SNVBAGLBSA-N 2 1 227.352 0.666 20 0 BCADMP CCn1nccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665299044 412247560 /nfs/dbraw/zinc/24/75/60/412247560.db2.gz FHCQQYCZRPMBAM-SECBINFHSA-N 2 1 208.309 0.601 20 0 BCADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665299862 412247745 /nfs/dbraw/zinc/24/77/45/412247745.db2.gz UOPOVFSOTBAPJY-SRVKXCTJSA-N 2 1 239.363 0.775 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662823877 412311924 /nfs/dbraw/zinc/31/19/24/412311924.db2.gz YFGCIQCUUWLWHM-HAQNSBGRSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837773 412317083 /nfs/dbraw/zinc/31/70/83/412317083.db2.gz KZICEJBNLOMQAC-AXFHLTTASA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662851893 412323272 /nfs/dbraw/zinc/32/32/72/412323272.db2.gz FERQTJIRJXQWOS-AXFHLTTASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](CCNC(=O)[C@H]1CSC[NH2+]1)[NH+](C)C ZINC000662861238 412328251 /nfs/dbraw/zinc/32/82/51/412328251.db2.gz YPFRXTNFMXZBIN-DTWKUNHWSA-N 2 1 231.365 0.105 20 0 BCADMP C[C@H](CCNC(=O)[C@@H]1CSC[NH2+]1)[NH+](C)C ZINC000662861237 412328724 /nfs/dbraw/zinc/32/87/24/412328724.db2.gz YPFRXTNFMXZBIN-BDAKNGLRSA-N 2 1 231.365 0.105 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC3CC2(C[NH3+])C3)CC[N@H+]1C ZINC000662875207 412331656 /nfs/dbraw/zinc/33/16/56/412331656.db2.gz GSPSLEYSNUEUTR-YLXHPXFOSA-N 2 1 237.347 0.276 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000662968761 412359431 /nfs/dbraw/zinc/35/94/31/412359431.db2.gz WTOOEKUPKSRUBI-OPRDCNLKSA-N 2 1 213.325 0.051 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744602 412289850 /nfs/dbraw/zinc/28/98/50/412289850.db2.gz AEDPEUBHUJAANJ-TUAOUCFPSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@H]1C ZINC000662744216 412290150 /nfs/dbraw/zinc/29/01/50/412290150.db2.gz YGJBIALHCOVBKA-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000662767913 412295755 /nfs/dbraw/zinc/29/57/55/412295755.db2.gz YIHGXXHJZZFUQA-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP COc1c(N)[nH+]cnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000663242395 412395834 /nfs/dbraw/zinc/39/58/34/412395834.db2.gz OKDMAKKQGSRTRH-WDSKDSINSA-N 2 1 211.269 0.215 20 0 BCADMP CCn1cc(CN[C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000309954827 172173917 /nfs/dbraw/zinc/17/39/17/172173917.db2.gz HVBSKMSMBBNEDH-CMPLNLGQSA-N 2 1 222.336 0.943 20 0 BCADMP CCn1cc(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000309954827 172173921 /nfs/dbraw/zinc/17/39/21/172173921.db2.gz HVBSKMSMBBNEDH-CMPLNLGQSA-N 2 1 222.336 0.943 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545844 172359012 /nfs/dbraw/zinc/35/90/12/172359012.db2.gz DHXIAFBQSVAVHK-QJPTWQEYSA-N 2 1 239.363 0.524 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309317054 172359045 /nfs/dbraw/zinc/35/90/45/172359045.db2.gz ZCXKHYRKULAYEH-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309317054 172359047 /nfs/dbraw/zinc/35/90/47/172359047.db2.gz ZCXKHYRKULAYEH-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130913445 172359614 /nfs/dbraw/zinc/35/96/14/172359614.db2.gz DHXIAFBQSVAVHK-TUAOUCFPSA-N 2 1 239.363 0.524 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250335613 172383526 /nfs/dbraw/zinc/38/35/26/172383526.db2.gz IKSSAOMYAHZBSI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250335613 172383529 /nfs/dbraw/zinc/38/35/29/172383529.db2.gz IKSSAOMYAHZBSI-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044762307 173011075 /nfs/dbraw/zinc/01/10/75/173011075.db2.gz OWJTWIPBFZNPOK-UHFFFAOYSA-N 2 1 239.363 0.670 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673646 173020709 /nfs/dbraw/zinc/02/07/09/173020709.db2.gz MOPWEKGNEWQRKR-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336321133 173023680 /nfs/dbraw/zinc/02/36/80/173023680.db2.gz HTVWZWABCFCEMV-VXGBXAGGSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336321133 173023683 /nfs/dbraw/zinc/02/36/83/173023683.db2.gz HTVWZWABCFCEMV-VXGBXAGGSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336321133 173023685 /nfs/dbraw/zinc/02/36/85/173023685.db2.gz HTVWZWABCFCEMV-VXGBXAGGSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000357622453 173025809 /nfs/dbraw/zinc/02/58/09/173025809.db2.gz QFOINJIXVYVSQY-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000357622453 173025811 /nfs/dbraw/zinc/02/58/11/173025811.db2.gz QFOINJIXVYVSQY-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000357622453 173025813 /nfs/dbraw/zinc/02/58/13/173025813.db2.gz QFOINJIXVYVSQY-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000357622453 173025815 /nfs/dbraw/zinc/02/58/15/173025815.db2.gz QFOINJIXVYVSQY-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309221327 173029867 /nfs/dbraw/zinc/02/98/67/173029867.db2.gz YEAFOXKKCHNACM-SFYZADRCSA-N 2 1 235.278 0.179 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393984 173030345 /nfs/dbraw/zinc/03/03/45/173030345.db2.gz LULKURQZZRDSQR-MXWKQRLJSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394821 173030589 /nfs/dbraw/zinc/03/05/89/173030589.db2.gz RVQQMYVYWKRONE-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394570 173031967 /nfs/dbraw/zinc/03/19/67/173031967.db2.gz GRPKGLUGWSUJST-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCC[NH3+] ZINC000237085212 173038449 /nfs/dbraw/zinc/03/84/49/173038449.db2.gz DOWMEMDHAAPKGB-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336321130 173049002 /nfs/dbraw/zinc/04/90/02/173049002.db2.gz HTVWZWABCFCEMV-NEPJUHHUSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336321130 173049003 /nfs/dbraw/zinc/04/90/03/173049003.db2.gz HTVWZWABCFCEMV-NEPJUHHUSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336321130 173049005 /nfs/dbraw/zinc/04/90/05/173049005.db2.gz HTVWZWABCFCEMV-NEPJUHHUSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000305621774 173053033 /nfs/dbraw/zinc/05/30/33/173053033.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000305621774 173053035 /nfs/dbraw/zinc/05/30/35/173053035.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CO)C1 ZINC000305621774 173053038 /nfs/dbraw/zinc/05/30/38/173053038.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394285 173053757 /nfs/dbraw/zinc/05/37/57/173053757.db2.gz DUWILBOACWSFKA-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCCO)CC[C@H]21 ZINC000227342764 173058267 /nfs/dbraw/zinc/05/82/67/173058267.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCCO)CC[C@H]21 ZINC000227342764 173058269 /nfs/dbraw/zinc/05/82/69/173058269.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC000227342764 173058271 /nfs/dbraw/zinc/05/82/71/173058271.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000371262271 173058907 /nfs/dbraw/zinc/05/89/07/173058907.db2.gz JVWREWLLIIGHIJ-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C[NH3+] ZINC000371261925 173059251 /nfs/dbraw/zinc/05/92/51/173059251.db2.gz FRVFTOQIYKTIDF-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000370683760 173060461 /nfs/dbraw/zinc/06/04/61/173060461.db2.gz ZOTVMXPCXFUDAV-STQMWFEESA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000370683760 173060463 /nfs/dbraw/zinc/06/04/63/173060463.db2.gz ZOTVMXPCXFUDAV-STQMWFEESA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cncn3)CC[C@@H]21 ZINC000370683760 173060465 /nfs/dbraw/zinc/06/04/65/173060465.db2.gz ZOTVMXPCXFUDAV-STQMWFEESA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cncn3)CC[C@@H]21 ZINC000370683760 173060468 /nfs/dbraw/zinc/06/04/68/173060468.db2.gz ZOTVMXPCXFUDAV-STQMWFEESA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000363331609 173070617 /nfs/dbraw/zinc/07/06/17/173070617.db2.gz OKFYYYMTKDLZFJ-LBPRGKRZSA-N 2 1 237.347 0.102 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062851701 173070834 /nfs/dbraw/zinc/07/08/34/173070834.db2.gz HDIJTGHQLUWZHZ-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336358745 173109677 /nfs/dbraw/zinc/10/96/77/173109677.db2.gz JIBZJBNGOMPNRF-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000336358745 173109679 /nfs/dbraw/zinc/10/96/79/173109679.db2.gz JIBZJBNGOMPNRF-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250555750 173115212 /nfs/dbraw/zinc/11/52/12/173115212.db2.gz BCIHCFKUGXWGME-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP CN1CC[C@@H]([N@@H+](C)CCCn2ccnc2)C1=O ZINC000124312333 173117849 /nfs/dbraw/zinc/11/78/49/173117849.db2.gz VTBQLXPOXJNMPA-LLVKDONJSA-N 2 1 236.319 0.436 20 0 BCADMP CN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516936 173119721 /nfs/dbraw/zinc/11/97/21/173119721.db2.gz MPOLCCKJMGFVHJ-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCSC2)C1 ZINC000307417092 173139260 /nfs/dbraw/zinc/13/92/60/173139260.db2.gz KMUKPDPVDAWBLY-VHSXEESVSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCSC2)C1 ZINC000307417092 173139262 /nfs/dbraw/zinc/13/92/62/173139262.db2.gz KMUKPDPVDAWBLY-VHSXEESVSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000309444213 173164799 /nfs/dbraw/zinc/16/47/99/173164799.db2.gz JIFIUZJDJAQZLC-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000309444213 173164800 /nfs/dbraw/zinc/16/48/00/173164800.db2.gz JIFIUZJDJAQZLC-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336762524 173165649 /nfs/dbraw/zinc/16/56/49/173165649.db2.gz LKWGEENRJHVATG-OLZOCXBDSA-N 2 1 224.348 0.999 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336762524 173165651 /nfs/dbraw/zinc/16/56/51/173165651.db2.gz LKWGEENRJHVATG-OLZOCXBDSA-N 2 1 224.348 0.999 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000358020745 173241997 /nfs/dbraw/zinc/24/19/97/173241997.db2.gz GKBYVCNXYMEWBU-QJPTWQEYSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000322662369 173283177 /nfs/dbraw/zinc/28/31/77/173283177.db2.gz AQBZDNLPKOETKU-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497678 173297450 /nfs/dbraw/zinc/29/74/50/173297450.db2.gz HYYHZROWPBATTJ-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889745 173297960 /nfs/dbraw/zinc/29/79/60/173297960.db2.gz TZYRCBUHMPZWKM-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889745 173297961 /nfs/dbraw/zinc/29/79/61/173297961.db2.gz TZYRCBUHMPZWKM-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919239 173298649 /nfs/dbraw/zinc/29/86/49/173298649.db2.gz RIORFFPCVVBEKT-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000309001513 173301528 /nfs/dbraw/zinc/30/15/28/173301528.db2.gz OFHIJOZKSUZNKK-MRVPVSSYSA-N 2 1 201.314 0.038 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371263364 173327006 /nfs/dbraw/zinc/32/70/06/173327006.db2.gz XWAGAMMZCPNGCH-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237235673 173330078 /nfs/dbraw/zinc/33/00/78/173330078.db2.gz RJZZNEZGHVSIBX-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000367672361 173339073 /nfs/dbraw/zinc/33/90/73/173339073.db2.gz VZGUMSOKJRETHA-LBPRGKRZSA-N 2 1 248.330 0.164 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@@H+](C)C(C)C ZINC000054133446 173339822 /nfs/dbraw/zinc/33/98/22/173339822.db2.gz NMHINUFYHSYBCB-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000043603849 173341748 /nfs/dbraw/zinc/34/17/48/173341748.db2.gz DJAVFUJTDGOVTR-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000069730622 173342816 /nfs/dbraw/zinc/34/28/16/173342816.db2.gz GQOMQKAGXBXENF-SNVBAGLBSA-N 2 1 228.336 0.869 20 0 BCADMP C[NH2+]CCC1CC[NH+](CC(=O)OC)CC1 ZINC000069730496 173343326 /nfs/dbraw/zinc/34/33/26/173343326.db2.gz XWURKZIDEJALJR-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812760 173344047 /nfs/dbraw/zinc/34/40/47/173344047.db2.gz RUIWNXKISCWRCF-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037611138 173344261 /nfs/dbraw/zinc/34/42/61/173344261.db2.gz BWOWLWYCQMICCU-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCCC(=O)NCCn1cc[nH+]c1C ZINC000269252747 173344309 /nfs/dbraw/zinc/34/43/09/173344309.db2.gz QIXPCSDWWFYVPY-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000336741008 173346753 /nfs/dbraw/zinc/34/67/53/173346753.db2.gz MVIRLMNVGFWWBC-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000336741008 173346754 /nfs/dbraw/zinc/34/67/54/173346754.db2.gz MVIRLMNVGFWWBC-TUAOUCFPSA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269253088 173364141 /nfs/dbraw/zinc/36/41/41/173364141.db2.gz IBMVVAJFXJPOHR-SECBINFHSA-N 2 1 236.319 0.942 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000070800214 173370882 /nfs/dbraw/zinc/37/08/82/173370882.db2.gz HTQVQWRDBGEVLX-NSHDSACASA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000040598540 173378427 /nfs/dbraw/zinc/37/84/27/173378427.db2.gz FTEXMIDWAFNNAX-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000040598540 173378428 /nfs/dbraw/zinc/37/84/28/173378428.db2.gz FTEXMIDWAFNNAX-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000070800212 173381614 /nfs/dbraw/zinc/38/16/14/173381614.db2.gz HTQVQWRDBGEVLX-LLVKDONJSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000162710252 173381834 /nfs/dbraw/zinc/38/18/34/173381834.db2.gz QATLZIOSKGONSJ-LLVKDONJSA-N 2 1 222.336 0.770 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000162710252 173381835 /nfs/dbraw/zinc/38/18/35/173381835.db2.gz QATLZIOSKGONSJ-LLVKDONJSA-N 2 1 222.336 0.770 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000374998100 173446482 /nfs/dbraw/zinc/44/64/82/173446482.db2.gz ZYOLVZVSHKYESV-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP COC1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310376208 174028081 /nfs/dbraw/zinc/02/80/81/174028081.db2.gz ZSAKTIKTMLOVHK-GFCCVEGCSA-N 2 1 242.363 0.552 20 0 BCADMP COC1CC[NH+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000310376208 174028082 /nfs/dbraw/zinc/02/80/82/174028082.db2.gz ZSAKTIKTMLOVHK-GFCCVEGCSA-N 2 1 242.363 0.552 20 0 BCADMP COCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336713404 174193545 /nfs/dbraw/zinc/19/35/45/174193545.db2.gz VMGVLLFAKOFIPM-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000339430636 174223298 /nfs/dbraw/zinc/22/32/98/174223298.db2.gz HNDPARFDKLYRFB-LBPRGKRZSA-N 2 1 230.352 0.317 20 0 BCADMP COCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077341710 174233195 /nfs/dbraw/zinc/23/31/95/174233195.db2.gz ZIPSPVVJHKYLFG-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP COCC[N@@H+](CCN1CC[NH2+]CC1)CC(C)C ZINC000042370821 174291900 /nfs/dbraw/zinc/29/19/00/174291900.db2.gz XTYAQXUVQLRBQW-UHFFFAOYSA-N 2 1 243.395 0.496 20 0 BCADMP COCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371292669 174312213 /nfs/dbraw/zinc/31/22/13/174312213.db2.gz CUSVERRKUJRFTO-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP COCCOCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000070028328 174352188 /nfs/dbraw/zinc/35/21/88/174352188.db2.gz MJYFVUPOBQAOKQ-UHFFFAOYSA-N 2 1 216.325 0.333 20 0 BCADMP COCCOCCN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000377112483 174354402 /nfs/dbraw/zinc/35/44/02/174354402.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336762273 174406388 /nfs/dbraw/zinc/40/63/88/174406388.db2.gz NNKSVIDSBZJBEK-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336762273 174406389 /nfs/dbraw/zinc/40/63/89/174406389.db2.gz NNKSVIDSBZJBEK-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000383496483 487629553 /nfs/dbraw/zinc/62/95/53/487629553.db2.gz DGCZBFUVMBIEGR-JHJVBQTASA-N 2 1 244.379 0.702 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000383496482 487629855 /nfs/dbraw/zinc/62/98/55/487629855.db2.gz DGCZBFUVMBIEGR-FRRDWIJNSA-N 2 1 244.379 0.702 20 0 BCADMP COc1ccccc1C[NH+]1CCN(CC[NH3+])CC1 ZINC000019933502 175327050 /nfs/dbraw/zinc/32/70/50/175327050.db2.gz JBESROOPSPYMGT-UHFFFAOYSA-N 2 1 249.358 0.772 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669585468 487631285 /nfs/dbraw/zinc/63/12/85/487631285.db2.gz PWQUYHQNVNZRSF-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070316061 175803944 /nfs/dbraw/zinc/80/39/44/175803944.db2.gz YFWHQBORIHQALT-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000224218812 176092306 /nfs/dbraw/zinc/09/23/06/176092306.db2.gz DZFVHZCEVBVYDJ-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000224218812 176092308 /nfs/dbraw/zinc/09/23/08/176092308.db2.gz DZFVHZCEVBVYDJ-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253938 176096963 /nfs/dbraw/zinc/09/69/63/176096963.db2.gz DMLPRDIUXLORBG-SECBINFHSA-N 2 1 212.341 0.980 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336343913 176166473 /nfs/dbraw/zinc/16/64/73/176166473.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336343913 176166475 /nfs/dbraw/zinc/16/64/75/176166475.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336343913 176166476 /nfs/dbraw/zinc/16/64/76/176166476.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285590 176166756 /nfs/dbraw/zinc/16/67/56/176166756.db2.gz MOAWKLNDWUCICO-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CO ZINC000227216391 176168983 /nfs/dbraw/zinc/16/89/83/176168983.db2.gz SKUVSBUDJUYXEC-ZYHUDNBSSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000126064332 176187653 /nfs/dbraw/zinc/18/76/53/176187653.db2.gz YSGXBMQDMIIACC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000336756695 176213671 /nfs/dbraw/zinc/21/36/71/176213671.db2.gz JOFXAEZOUQLNDW-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000336756695 176213672 /nfs/dbraw/zinc/21/36/72/176213672.db2.gz JOFXAEZOUQLNDW-IJLUTSLNSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000336301790 176246664 /nfs/dbraw/zinc/24/66/64/176246664.db2.gz RAYOMAQHZLXHRT-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+](C2CC2)C1 ZINC000336301790 176246665 /nfs/dbraw/zinc/24/66/65/176246665.db2.gz RAYOMAQHZLXHRT-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000352780015 176258208 /nfs/dbraw/zinc/25/82/08/176258208.db2.gz NOKOBPCFXUYQQI-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000352780015 176258210 /nfs/dbraw/zinc/25/82/10/176258210.db2.gz NOKOBPCFXUYQQI-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000352780015 176258211 /nfs/dbraw/zinc/25/82/11/176258211.db2.gz NOKOBPCFXUYQQI-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000352780015 176258212 /nfs/dbraw/zinc/25/82/12/176258212.db2.gz NOKOBPCFXUYQQI-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000226402377 176267934 /nfs/dbraw/zinc/26/79/34/176267934.db2.gz CTKFJQIPBRHPHT-LLVKDONJSA-N 2 1 247.342 0.921 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000226402377 176267936 /nfs/dbraw/zinc/26/79/36/176267936.db2.gz CTKFJQIPBRHPHT-LLVKDONJSA-N 2 1 247.342 0.921 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000122382089 176268607 /nfs/dbraw/zinc/26/86/07/176268607.db2.gz CGIFUJONGZLMAW-GRYCIOLGSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336751170 176269682 /nfs/dbraw/zinc/26/96/82/176269682.db2.gz CAECIYVLZXCBEH-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000358048268 176269963 /nfs/dbraw/zinc/26/99/63/176269963.db2.gz PBLYAQUGGNWJMC-NDBYEHHHSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000362765444 176271076 /nfs/dbraw/zinc/27/10/76/176271076.db2.gz KAFCQAQRXWUMTK-UTUOFQBUSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1C ZINC000362765444 176271077 /nfs/dbraw/zinc/27/10/77/176271077.db2.gz KAFCQAQRXWUMTK-UTUOFQBUSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000362765444 176271078 /nfs/dbraw/zinc/27/10/78/176271078.db2.gz KAFCQAQRXWUMTK-UTUOFQBUSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000362765444 176271079 /nfs/dbraw/zinc/27/10/79/176271079.db2.gz KAFCQAQRXWUMTK-UTUOFQBUSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000362740281 176271623 /nfs/dbraw/zinc/27/16/23/176271623.db2.gz HXWWWPLYMZSOIC-UTUOFQBUSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000341263504 176275499 /nfs/dbraw/zinc/27/54/99/176275499.db2.gz PFXXSYOKPXPWJY-IJLUTSLNSA-N 2 1 241.379 0.498 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000362585018 176276208 /nfs/dbraw/zinc/27/62/08/176276208.db2.gz AYBMAQYUSVADMC-IJLUTSLNSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000362585018 176276210 /nfs/dbraw/zinc/27/62/10/176276210.db2.gz AYBMAQYUSVADMC-IJLUTSLNSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000362585018 176276211 /nfs/dbraw/zinc/27/62/11/176276211.db2.gz AYBMAQYUSVADMC-IJLUTSLNSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCCO ZINC000036908374 176278217 /nfs/dbraw/zinc/27/82/17/176278217.db2.gz AUILJWBNYPIDRC-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCCO ZINC000300418629 176278775 /nfs/dbraw/zinc/27/87/75/176278775.db2.gz YFBTWINERVPSMY-JHJVBQTASA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCO ZINC000305067908 176300545 /nfs/dbraw/zinc/30/05/45/176300545.db2.gz JQVVKRBKMXNELM-UPJWGTAASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460010 176322994 /nfs/dbraw/zinc/32/29/94/176322994.db2.gz QRVWWBVCEYQBPX-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000108356867 176327307 /nfs/dbraw/zinc/32/73/07/176327307.db2.gz DMIXMQCSUZVZQA-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000108356867 176327309 /nfs/dbraw/zinc/32/73/09/176327309.db2.gz DMIXMQCSUZVZQA-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336780541 176344207 /nfs/dbraw/zinc/34/42/07/176344207.db2.gz RPJBMDRMNCFGBC-ZYHUDNBSSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336749041 176356184 /nfs/dbraw/zinc/35/61/84/176356184.db2.gz TXRMRKDJFFLAEZ-YUSALJHKSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336749041 176356186 /nfs/dbraw/zinc/35/61/86/176356186.db2.gz TXRMRKDJFFLAEZ-YUSALJHKSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000332191339 176362737 /nfs/dbraw/zinc/36/27/37/176362737.db2.gz ZIMRGRZSXDALNV-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000332191339 176362738 /nfs/dbraw/zinc/36/27/38/176362738.db2.gz ZIMRGRZSXDALNV-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000132917434 176373977 /nfs/dbraw/zinc/37/39/77/176373977.db2.gz TVIMEBFVRVYYOQ-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000237569012 176374238 /nfs/dbraw/zinc/37/42/38/176374238.db2.gz FKNVQCUKBXYISZ-GMTAPVOTSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)CC[N@H+]1C ZINC000300358425 176376505 /nfs/dbraw/zinc/37/65/05/176376505.db2.gz HBLBHPCEMHISAR-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000237509202 177075959 /nfs/dbraw/zinc/07/59/59/177075959.db2.gz CAGFTMWFJLENJB-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1[C@@H](C)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000335653176 177160978 /nfs/dbraw/zinc/16/09/78/177160978.db2.gz WCIRDCCNTNBJFF-NWDGAFQWSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC000226402420 177232670 /nfs/dbraw/zinc/23/26/70/177232670.db2.gz BXTGOXDBZNSQFN-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC000226402420 177232671 /nfs/dbraw/zinc/23/26/71/177232671.db2.gz BXTGOXDBZNSQFN-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C1(C[NH3+])CCCC1 ZINC000226401672 177232746 /nfs/dbraw/zinc/23/27/46/177232746.db2.gz BAMUGUKOIGTBMT-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH3+])CCCC1 ZINC000226401672 177232748 /nfs/dbraw/zinc/23/27/48/177232748.db2.gz BAMUGUKOIGTBMT-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000362763802 177234511 /nfs/dbraw/zinc/23/45/11/177234511.db2.gz WJGQIBDCPFYIMW-RYUDHWBXSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000094341357 177261929 /nfs/dbraw/zinc/26/19/29/177261929.db2.gz YSZPSDPUPQQCQH-GWCFXTLKSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000094446935 177280260 /nfs/dbraw/zinc/28/02/60/177280260.db2.gz BJBZIUQQOFKTFN-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251638295 177280411 /nfs/dbraw/zinc/28/04/11/177280411.db2.gz FTGYNEFEGFUWFR-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637887 177313291 /nfs/dbraw/zinc/31/32/91/177313291.db2.gz NQGWWFAHDKQRTL-USZNOCQGSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000332191342 177322655 /nfs/dbraw/zinc/32/26/55/177322655.db2.gz ZIMRGRZSXDALNV-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000332191342 177322657 /nfs/dbraw/zinc/32/26/57/177322657.db2.gz ZIMRGRZSXDALNV-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)CC[N@H+]1C ZINC000336724645 177330681 /nfs/dbraw/zinc/33/06/81/177330681.db2.gz USGLFFNXSZESFI-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@H+]1C ZINC000309098292 177332042 /nfs/dbraw/zinc/33/20/42/177332042.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346181839 177354033 /nfs/dbraw/zinc/35/40/33/177354033.db2.gz BVNMDPATBBTYAA-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908618 177369946 /nfs/dbraw/zinc/36/99/46/177369946.db2.gz IOZAKVVUHSCGGL-YTWAJWBKSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000331759732 177368191 /nfs/dbraw/zinc/36/81/91/177368191.db2.gz JWSFPNGCBJQTNN-UTLUCORTSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCCO ZINC000036908375 177370216 /nfs/dbraw/zinc/37/02/16/177370216.db2.gz AUILJWBNYPIDRC-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000225714520 487638263 /nfs/dbraw/zinc/63/82/63/487638263.db2.gz WYJLEFROQKUZPN-GMTAPVOTSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000225714520 487638266 /nfs/dbraw/zinc/63/82/66/487638266.db2.gz WYJLEFROQKUZPN-GMTAPVOTSA-N 2 1 216.325 0.317 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000335593285 177395396 /nfs/dbraw/zinc/39/53/96/177395396.db2.gz AGWFFXHNJDSZRU-SCZZXKLOSA-N 2 1 222.292 0.414 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225714811 487638421 /nfs/dbraw/zinc/63/84/21/487638421.db2.gz QUXUNXRNZZEVCB-GMTAPVOTSA-N 2 1 200.326 0.938 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000225984905 487642799 /nfs/dbraw/zinc/64/27/99/487642799.db2.gz YGWCQQMEMLRYCI-SDDRHHMPSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000225984905 487642802 /nfs/dbraw/zinc/64/28/02/487642802.db2.gz YGWCQQMEMLRYCI-SDDRHHMPSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1C ZINC000226011869 487643812 /nfs/dbraw/zinc/64/38/12/487643812.db2.gz MOMQOJJWXBHRNB-XQQFMLRXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+]1C ZINC000226011869 487643815 /nfs/dbraw/zinc/64/38/15/487643815.db2.gz MOMQOJJWXBHRNB-XQQFMLRXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909556 225272533 /nfs/dbraw/zinc/27/25/33/225272533.db2.gz GGWIHFYJGSBZLQ-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C/c1ccncc1 ZINC000487577111 225315654 /nfs/dbraw/zinc/31/56/54/225315654.db2.gz QUGZXZYTZDAPKD-ISZGNANSSA-N 2 1 249.358 0.997 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493966380 226259438 /nfs/dbraw/zinc/25/94/38/226259438.db2.gz AGQBAYFGQSUNOF-JBLDHEPKSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH+](C)C ZINC000494243995 226262676 /nfs/dbraw/zinc/26/26/76/226262676.db2.gz FTXRHBWFWJKGSB-ZYHUDNBSSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000680827495 487650298 /nfs/dbraw/zinc/65/02/98/487650298.db2.gz ZOYDCSCNYXXSMD-CABZTGNLSA-N 2 1 238.335 0.435 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCC[NH2+]CC1 ZINC000313900219 487653268 /nfs/dbraw/zinc/65/32/68/487653268.db2.gz REVAAPNDAMAQEU-UHFFFAOYSA-N 2 1 222.336 0.648 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC[NH2+]CC1 ZINC000313892050 487653320 /nfs/dbraw/zinc/65/33/20/487653320.db2.gz PKNWPNSIONYZMF-UHFFFAOYSA-N 2 1 208.309 0.258 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637591 487655015 /nfs/dbraw/zinc/65/50/15/487655015.db2.gz PYOGXLBWSIMAKP-CYBMUJFWSA-N 3 1 223.364 0.801 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637591 487655016 /nfs/dbraw/zinc/65/50/16/487655016.db2.gz PYOGXLBWSIMAKP-CYBMUJFWSA-N 3 1 223.364 0.801 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000383643147 487654758 /nfs/dbraw/zinc/65/47/58/487654758.db2.gz HGYAUCJHUAKTLD-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000383643147 487654760 /nfs/dbraw/zinc/65/47/60/487654760.db2.gz HGYAUCJHUAKTLD-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000383643147 487654761 /nfs/dbraw/zinc/65/47/61/487654761.db2.gz HGYAUCJHUAKTLD-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC000383643147 487654762 /nfs/dbraw/zinc/65/47/62/487654762.db2.gz HGYAUCJHUAKTLD-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000383660675 487658871 /nfs/dbraw/zinc/65/88/71/487658871.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000383660675 487658874 /nfs/dbraw/zinc/65/88/74/487658874.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000383660675 487658876 /nfs/dbraw/zinc/65/88/76/487658876.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000383660675 487658880 /nfs/dbraw/zinc/65/88/80/487658880.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP COCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308855599 229253554 /nfs/dbraw/zinc/25/35/54/229253554.db2.gz NUYFMEMZKTWFLH-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396581304 262806771 /nfs/dbraw/zinc/80/67/71/262806771.db2.gz FNGKJKFYVJINSR-MXWKQRLJSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CC12CC2 ZINC000527889628 262891504 /nfs/dbraw/zinc/89/15/04/262891504.db2.gz HMJZZRIDWWAPLT-GMXVVIOVSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CC12CC2 ZINC000527889628 262891505 /nfs/dbraw/zinc/89/15/05/262891505.db2.gz HMJZZRIDWWAPLT-GMXVVIOVSA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000226271907 487700370 /nfs/dbraw/zinc/70/03/70/487700370.db2.gz OPJPOVPPFLZNFQ-DDHJBXDOSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000226271907 487700375 /nfs/dbraw/zinc/70/03/75/487700375.db2.gz OPJPOVPPFLZNFQ-DDHJBXDOSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000226271914 487700510 /nfs/dbraw/zinc/70/05/10/487700510.db2.gz OPJPOVPPFLZNFQ-IRCOFANPSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000226271914 487700513 /nfs/dbraw/zinc/70/05/13/487700513.db2.gz OPJPOVPPFLZNFQ-IRCOFANPSA-N 2 1 212.337 0.972 20 0 BCADMP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403288 487705448 /nfs/dbraw/zinc/70/54/48/487705448.db2.gz SAVZGSVERLYBBY-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403193 487705465 /nfs/dbraw/zinc/70/54/65/487705465.db2.gz OIVNJJXMLQYDDI-WDEREUQCSA-N 2 1 242.367 0.363 20 0 BCADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000669403344 487705532 /nfs/dbraw/zinc/70/55/32/487705532.db2.gz WADWGACERJHYNI-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403085 487705993 /nfs/dbraw/zinc/70/59/93/487705993.db2.gz IOYWLTYRCUBERF-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP COC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164445 487707596 /nfs/dbraw/zinc/70/75/96/487707596.db2.gz UGFGMDUNAQNLSK-WVMKXHBISA-N 2 1 242.363 0.599 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394355 487730130 /nfs/dbraw/zinc/73/01/30/487730130.db2.gz BYMHIKAJOPOULP-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356397 487730491 /nfs/dbraw/zinc/73/04/91/487730491.db2.gz BXPNVNOKMNZLPR-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394862 487731426 /nfs/dbraw/zinc/73/14/26/487731426.db2.gz OMAQPIRELJUROM-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361724 487734317 /nfs/dbraw/zinc/73/43/17/487734317.db2.gz LXVIXVSCNVVEFL-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000228858575 487738884 /nfs/dbraw/zinc/73/88/84/487738884.db2.gz ZCHQCUJFEKKRME-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)O ZINC000251027428 487746564 /nfs/dbraw/zinc/74/65/64/487746564.db2.gz GWPAPZQOZQQWGC-OUAUKWLOSA-N 2 1 212.337 0.830 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000251324574 487753584 /nfs/dbraw/zinc/75/35/84/487753584.db2.gz OMHPFRBJLVWDAJ-SDDRHHMPSA-N 2 1 209.337 0.565 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000082921786 487754138 /nfs/dbraw/zinc/75/41/38/487754138.db2.gz ZSUZKXAKIGFJQK-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP C[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000069634226 487757264 /nfs/dbraw/zinc/75/72/64/487757264.db2.gz SJHVJFSULFNRNH-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674265633 487763109 /nfs/dbraw/zinc/76/31/09/487763109.db2.gz UVIPVFUTXQDZLF-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000251642646 487780819 /nfs/dbraw/zinc/78/08/19/487780819.db2.gz SEBAYBRILLWSFH-HBNTYKKESA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000251642646 487780826 /nfs/dbraw/zinc/78/08/26/487780826.db2.gz SEBAYBRILLWSFH-HBNTYKKESA-N 2 1 214.309 0.071 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000666312389 487784490 /nfs/dbraw/zinc/78/44/90/487784490.db2.gz VRHVVIAPMPFULT-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000681390711 487790827 /nfs/dbraw/zinc/79/08/27/487790827.db2.gz OLMUFDYRFMGSNA-DGCLKSJQSA-N 2 1 235.331 0.943 20 0 BCADMP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000681390711 487790829 /nfs/dbraw/zinc/79/08/29/487790829.db2.gz OLMUFDYRFMGSNA-DGCLKSJQSA-N 2 1 235.331 0.943 20 0 BCADMP C[N@@H+](CCO)C1CCN([C@H]2CCCOC2)CC1 ZINC000674300897 487796421 /nfs/dbraw/zinc/79/64/21/487796421.db2.gz IHUKVJPFWFIHJQ-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@H+](CCO)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674300897 487796426 /nfs/dbraw/zinc/79/64/26/487796426.db2.gz IHUKVJPFWFIHJQ-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+](CCO)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674300897 487796430 /nfs/dbraw/zinc/79/64/30/487796430.db2.gz IHUKVJPFWFIHJQ-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251805977 487800134 /nfs/dbraw/zinc/80/01/34/487800134.db2.gz OINJYCLZCVBJOR-BBBLOLIVSA-N 2 1 213.325 0.310 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251805977 487800138 /nfs/dbraw/zinc/80/01/38/487800138.db2.gz OINJYCLZCVBJOR-BBBLOLIVSA-N 2 1 213.325 0.310 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251805333 487800360 /nfs/dbraw/zinc/80/03/60/487800360.db2.gz ODEJNGBVNBPEHO-KXUCPTDWSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251805333 487800366 /nfs/dbraw/zinc/80/03/66/487800366.db2.gz ODEJNGBVNBPEHO-KXUCPTDWSA-N 2 1 213.325 0.132 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251877074 487805006 /nfs/dbraw/zinc/80/50/06/487805006.db2.gz UWXGOKHSKMCALC-VXGBXAGGSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251877074 487805010 /nfs/dbraw/zinc/80/50/10/487805010.db2.gz UWXGOKHSKMCALC-VXGBXAGGSA-N 2 1 222.336 0.979 20 0 BCADMP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N1 ZINC000156106997 487814335 /nfs/dbraw/zinc/81/43/35/487814335.db2.gz YNZBRXZUEAXIPC-WOPDTQHZSA-N 2 1 237.347 0.481 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322616934 487814567 /nfs/dbraw/zinc/81/45/67/487814567.db2.gz QILRNJUEPSPWQU-YEJSDXFRSA-N 2 1 239.363 0.583 20 0 BCADMP [NH3+]CCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000414762420 487822953 /nfs/dbraw/zinc/82/29/53/487822953.db2.gz WAOGEMANIIKOPB-UHFFFAOYSA-N 2 1 226.295 0.969 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000414762420 487822962 /nfs/dbraw/zinc/82/29/62/487822962.db2.gz WAOGEMANIIKOPB-UHFFFAOYSA-N 2 1 226.295 0.969 20 0 BCADMP C[C@@H](CO)[N@@H+](CCC[NH3+])CC1CCC1 ZINC000415111871 487838543 /nfs/dbraw/zinc/83/85/43/487838543.db2.gz UVECORGTVNIYDF-JTQLQIEISA-N 2 1 200.326 0.818 20 0 BCADMP CN(C)C1(C(=O)NCc2c[nH]cn2)CC1 ZINC000668996073 487845200 /nfs/dbraw/zinc/84/52/00/487845200.db2.gz ULSBWIFXMLGTNN-UHFFFAOYSA-N 2 1 208.265 0.120 20 0 BCADMP C[NH+](C)C1(C(=O)NCc2cnc[nH]2)CC1 ZINC000668996073 487845205 /nfs/dbraw/zinc/84/52/05/487845205.db2.gz ULSBWIFXMLGTNN-UHFFFAOYSA-N 2 1 208.265 0.120 20 0 BCADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000062620412 487846515 /nfs/dbraw/zinc/84/65/15/487846515.db2.gz OKKINFVUDNEBPR-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP CC1(C)C[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000062620439 487846592 /nfs/dbraw/zinc/84/65/92/487846592.db2.gz MIENVIHXQCVQNR-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP CC(C)[N@H+](C)Cc1cn([C@@H](C)C[NH3+])nn1 ZINC000905057480 637590129 /nfs/dbraw/zinc/59/01/29/637590129.db2.gz QNZSHRYTMKDUAV-VIFPVBQESA-N 2 1 211.313 0.638 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn([C@@H](C)C[NH3+])nn1 ZINC000905057480 637590135 /nfs/dbraw/zinc/59/01/35/637590135.db2.gz QNZSHRYTMKDUAV-VIFPVBQESA-N 2 1 211.313 0.638 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000253125781 487855258 /nfs/dbraw/zinc/85/52/58/487855258.db2.gz QUXUNXRNZZEVCB-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666689569 487860973 /nfs/dbraw/zinc/86/09/73/487860973.db2.gz HVIOGSGDSQDNIZ-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666689566 487861024 /nfs/dbraw/zinc/86/10/24/487861024.db2.gz HVIOGSGDSQDNIZ-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704845 487862708 /nfs/dbraw/zinc/86/27/08/487862708.db2.gz STFLCDFDCPZDFY-AAEUAGOBSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704845 487862711 /nfs/dbraw/zinc/86/27/11/487862711.db2.gz STFLCDFDCPZDFY-AAEUAGOBSA-N 2 1 239.363 0.572 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)C1([NH+](C)C)CC1 ZINC000668198010 487872945 /nfs/dbraw/zinc/87/29/45/487872945.db2.gz BWYVEBUXWQYUAN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000569605689 322972430 /nfs/dbraw/zinc/97/24/30/322972430.db2.gz PFENRCJMIBRCSD-DDHJBXDOSA-N 3 1 211.353 0.986 20 0 BCADMP CC[N@@H+](CCNC(=O)NC/C=C\C[NH3+])C1CC1 ZINC000669444675 487889385 /nfs/dbraw/zinc/88/93/85/487889385.db2.gz DUDPUUOOPSLIEU-ARJAWSKDSA-N 2 1 240.351 0.285 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)O)C1 ZINC000582554317 487917140 /nfs/dbraw/zinc/91/71/40/487917140.db2.gz JQIAJSZTEKLHHI-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000582554317 487917146 /nfs/dbraw/zinc/91/71/46/487917146.db2.gz JQIAJSZTEKLHHI-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000582554317 487917152 /nfs/dbraw/zinc/91/71/52/487917152.db2.gz JQIAJSZTEKLHHI-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000157893166 487928888 /nfs/dbraw/zinc/92/88/88/487928888.db2.gz UWXGOKHSKMCALC-NEPJUHHUSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000157893166 487928893 /nfs/dbraw/zinc/92/88/93/487928893.db2.gz UWXGOKHSKMCALC-NEPJUHHUSA-N 2 1 222.336 0.979 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364274 487934242 /nfs/dbraw/zinc/93/42/42/487934242.db2.gz CHWFBXTZCHZGCP-VHSXEESVSA-N 2 1 234.290 0.688 20 0 BCADMP NC(=O)C[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000676881318 487938279 /nfs/dbraw/zinc/93/82/79/487938279.db2.gz SDEUDRDUAAHZAR-NSHDSACASA-N 2 1 236.319 0.471 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000188755748 487949122 /nfs/dbraw/zinc/94/91/22/487949122.db2.gz HAJMOXKXSIOVEZ-WCABBAIRSA-N 2 1 243.326 0.285 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N(C)CC[NH2+]C ZINC000417818310 487956660 /nfs/dbraw/zinc/95/66/60/487956660.db2.gz SBASHMVQWXTOGN-UHFFFAOYSA-N 2 1 244.383 0.579 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046114 323005917 /nfs/dbraw/zinc/00/59/17/323005917.db2.gz CIRLLYIUEFXPPU-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046114 323005918 /nfs/dbraw/zinc/00/59/18/323005918.db2.gz CIRLLYIUEFXPPU-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169113416 323027334 /nfs/dbraw/zinc/02/73/34/323027334.db2.gz QBCKDDBQPRSNQZ-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397252279 323038533 /nfs/dbraw/zinc/03/85/33/323038533.db2.gz DAGZRZMUYRSAAU-DCAQKATOSA-N 2 1 200.326 0.938 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569727844 323039077 /nfs/dbraw/zinc/03/90/77/323039077.db2.gz UVVJLZQVQLDAPO-VHSXEESVSA-N 2 1 215.341 0.569 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000569983916 323046399 /nfs/dbraw/zinc/04/63/99/323046399.db2.gz HWBIXNCXXICMGE-ZETCQYMHSA-N 2 1 223.267 0.214 20 0 BCADMP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000569985201 323046883 /nfs/dbraw/zinc/04/68/83/323046883.db2.gz AUOCMLUUOOEDMS-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000569985201 323046884 /nfs/dbraw/zinc/04/68/84/323046884.db2.gz AUOCMLUUOOEDMS-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000570165796 323051591 /nfs/dbraw/zinc/05/15/91/323051591.db2.gz CVBOTGPIEDJAPQ-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000570165797 323051655 /nfs/dbraw/zinc/05/16/55/323051655.db2.gz CVBOTGPIEDJAPQ-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[NH2+]C[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000570221731 323053170 /nfs/dbraw/zinc/05/31/70/323053170.db2.gz AORHKNCTJOPYGS-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000570570894 323063576 /nfs/dbraw/zinc/06/35/76/323063576.db2.gz JNYBEPOHZVZATO-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000570720938 323068508 /nfs/dbraw/zinc/06/85/08/323068508.db2.gz PTJHVCZYQCCSQN-AVGNSLFASA-N 2 1 241.379 0.376 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(F)C1 ZINC000572659706 323072716 /nfs/dbraw/zinc/07/27/16/323072716.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 1 218.316 0.733 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000570940083 323075792 /nfs/dbraw/zinc/07/57/92/323075792.db2.gz CPZJWKDSJZFIKB-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000562981447 323077924 /nfs/dbraw/zinc/07/79/24/323077924.db2.gz LYIFCZNSGCMAIH-OUAUKWLOSA-N 2 1 227.352 0.380 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H]1COC[C@H]1OC ZINC000563086186 323090441 /nfs/dbraw/zinc/09/04/41/323090441.db2.gz WDQOAWLZNSAGEE-VXGBXAGGSA-N 2 1 230.352 0.722 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000563118705 323093780 /nfs/dbraw/zinc/09/37/80/323093780.db2.gz BGLDYKDQZVEBOH-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136748 323094829 /nfs/dbraw/zinc/09/48/29/323094829.db2.gz UDLGWLOZIXGHIR-WOPDTQHZSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136748 323094830 /nfs/dbraw/zinc/09/48/30/323094830.db2.gz UDLGWLOZIXGHIR-WOPDTQHZSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563152447 323095838 /nfs/dbraw/zinc/09/58/38/323095838.db2.gz ZUGARRMYLRFVDK-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000563412492 323124775 /nfs/dbraw/zinc/12/47/75/323124775.db2.gz FWPZHEXAHDALCT-JTQLQIEISA-N 2 1 236.319 0.526 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310522347 323133013 /nfs/dbraw/zinc/13/30/13/323133013.db2.gz MHLQKEIPNWUHCX-GFCCVEGCSA-N 2 1 244.379 0.704 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310522347 323133014 /nfs/dbraw/zinc/13/30/14/323133014.db2.gz MHLQKEIPNWUHCX-GFCCVEGCSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000571081334 323135062 /nfs/dbraw/zinc/13/50/62/323135062.db2.gz MCGBZFWVVJOTRD-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+]1CC[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000571221318 323138292 /nfs/dbraw/zinc/13/82/92/323138292.db2.gz IPHMIVCVIHKAAC-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000571221318 323138293 /nfs/dbraw/zinc/13/82/93/323138293.db2.gz IPHMIVCVIHKAAC-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000571573336 323148209 /nfs/dbraw/zinc/14/82/09/323148209.db2.gz ZDAIGEMWWAWZBW-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP CN1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC000305083430 323166996 /nfs/dbraw/zinc/16/69/96/323166996.db2.gz RVNIMTMZBFNFLR-UHFFFAOYSA-N 2 1 212.337 0.785 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000391613370 323178993 /nfs/dbraw/zinc/17/89/93/323178993.db2.gz DWCKDAXZDCRMDB-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1=O ZINC000391613370 323178994 /nfs/dbraw/zinc/17/89/94/323178994.db2.gz DWCKDAXZDCRMDB-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182681 323205777 /nfs/dbraw/zinc/20/57/77/323205777.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCC[NH2+]1 ZINC000530182681 323205778 /nfs/dbraw/zinc/20/57/78/323205778.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCC[NH2+]1 ZINC000530182681 323205779 /nfs/dbraw/zinc/20/57/79/323205779.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 2 1 239.363 0.191 20 0 BCADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000532217321 323209042 /nfs/dbraw/zinc/20/90/42/323209042.db2.gz NKLZAEALNIAYII-GFCCVEGCSA-N 2 1 241.379 0.738 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000309416156 323395090 /nfs/dbraw/zinc/39/50/90/323395090.db2.gz XHYFGQXQVATDMR-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000309416156 323395095 /nfs/dbraw/zinc/39/50/95/323395095.db2.gz XHYFGQXQVATDMR-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000309416156 323395099 /nfs/dbraw/zinc/39/50/99/323395099.db2.gz XHYFGQXQVATDMR-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000309416156 323395102 /nfs/dbraw/zinc/39/51/02/323395102.db2.gz XHYFGQXQVATDMR-MNOVXSKESA-N 2 1 230.352 0.144 20 0 BCADMP C[NH2+]CCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564084930 323427365 /nfs/dbraw/zinc/42/73/65/323427365.db2.gz BQQJWYLDAYUWEN-OLZOCXBDSA-N 2 1 241.379 0.424 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083889433 487959588 /nfs/dbraw/zinc/95/95/88/487959588.db2.gz AILVCSFMXVEHGX-JTQLQIEISA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000121719588 324020738 /nfs/dbraw/zinc/02/07/38/324020738.db2.gz OAGJIPFUUUCRTE-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP C[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000121719588 324020742 /nfs/dbraw/zinc/02/07/42/324020742.db2.gz OAGJIPFUUUCRTE-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000537215364 324038390 /nfs/dbraw/zinc/03/83/90/324038390.db2.gz BWSXBOJLVXOMBZ-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000529458535 324304996 /nfs/dbraw/zinc/30/49/96/324304996.db2.gz LFFNYBGQLKLJEO-PJXYFTJBSA-N 2 1 248.330 0.210 20 0 BCADMP Cc1cnccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000530224566 324543706 /nfs/dbraw/zinc/54/37/06/324543706.db2.gz RANCCKXEIKGKPM-UHFFFAOYSA-N 2 1 235.331 0.594 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC1CC([NH+](C)C)C1 ZINC000530267188 324563766 /nfs/dbraw/zinc/56/37/66/324563766.db2.gz KRRSFPXROJBUSP-UHFFFAOYSA-N 2 1 236.319 0.400 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913542 487964780 /nfs/dbraw/zinc/96/47/80/487964780.db2.gz YIDIZSUUUFLUHJ-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132937168 325255329 /nfs/dbraw/zinc/25/53/29/325255329.db2.gz DIDCVDIMUICVEU-NWDGAFQWSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC000400062467 487969955 /nfs/dbraw/zinc/96/99/55/487969955.db2.gz BKQRLEYYLANQKT-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000400062467 487969958 /nfs/dbraw/zinc/96/99/58/487969958.db2.gz BKQRLEYYLANQKT-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000400062467 487969962 /nfs/dbraw/zinc/96/99/62/487969962.db2.gz BKQRLEYYLANQKT-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC000400062467 487969964 /nfs/dbraw/zinc/96/99/64/487969964.db2.gz BKQRLEYYLANQKT-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP c1c[nH+]c(N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC000556065497 325776577 /nfs/dbraw/zinc/77/65/77/325776577.db2.gz HSJQMHAFBYKPKJ-LLVKDONJSA-N 2 1 236.319 0.568 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000566206428 326005501 /nfs/dbraw/zinc/00/55/01/326005501.db2.gz KILIKXWBTUKCNF-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190353 326009596 /nfs/dbraw/zinc/00/95/96/326009596.db2.gz TYRLZXOOZXCAMB-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCNC1=O ZINC000566246072 326022366 /nfs/dbraw/zinc/02/23/66/326022366.db2.gz FNAXAZAZLBRHAU-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000566246072 326022369 /nfs/dbraw/zinc/02/23/69/326022369.db2.gz FNAXAZAZLBRHAU-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](C(=O)NCC1([NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000566467763 326052168 /nfs/dbraw/zinc/05/21/68/326052168.db2.gz YTTBEMXHAONWRQ-LLVKDONJSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000566614112 326068025 /nfs/dbraw/zinc/06/80/25/326068025.db2.gz LGFHTRQDOOIWCB-QJPTWQEYSA-N 3 1 211.353 0.846 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000566678752 326072901 /nfs/dbraw/zinc/07/29/01/326072901.db2.gz JLLMYQMDIYQLSH-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000566716913 326076538 /nfs/dbraw/zinc/07/65/38/326076538.db2.gz PZHVXPAGQQSXCB-STQMWFEESA-N 2 1 243.395 0.183 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739973 326078990 /nfs/dbraw/zinc/07/89/90/326078990.db2.gz LASWGRCEEFISKT-GUDRVLHUSA-N 2 1 237.347 0.323 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H](O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000154353757 326140740 /nfs/dbraw/zinc/14/07/40/326140740.db2.gz PGVYGTSNTFPTHN-MDZLAQPJSA-N 2 1 241.379 0.124 20 0 BCADMP OC1CC[NH+](CCC[NH2+]CC2(F)CC2)CC1 ZINC000309604576 326161848 /nfs/dbraw/zinc/16/18/48/326161848.db2.gz XNXAFVSHFOWRSN-UHFFFAOYSA-N 2 1 230.327 0.925 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383453 326180110 /nfs/dbraw/zinc/18/01/10/326180110.db2.gz AGXPSBIKCDBZMN-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000567478545 326200537 /nfs/dbraw/zinc/20/05/37/326200537.db2.gz YEDXCHFBFQEJRF-ZDUSSCGKSA-N 2 1 243.395 0.278 20 0 BCADMP COc1nccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000567521066 326209467 /nfs/dbraw/zinc/20/94/67/326209467.db2.gz OKIDDVDSDHVREM-UWVGGRQHSA-N 2 1 236.319 0.845 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000567613696 326229542 /nfs/dbraw/zinc/22/95/42/326229542.db2.gz JKZFIBJCTNAFAP-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000567613696 326229545 /nfs/dbraw/zinc/22/95/45/326229545.db2.gz JKZFIBJCTNAFAP-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000567814854 326261949 /nfs/dbraw/zinc/26/19/49/326261949.db2.gz GLEJUOQFWKUOGI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]CC1CC[NH+](CC2(CN)CC2)CC1 ZINC000567865179 326273365 /nfs/dbraw/zinc/27/33/65/326273365.db2.gz JSSWBHOTASIUTL-UHFFFAOYSA-N 2 1 211.353 0.657 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000568050901 326300069 /nfs/dbraw/zinc/30/00/69/326300069.db2.gz MQIQICZAOQIRCG-MNOVXSKESA-N 2 1 202.342 0.935 20 0 BCADMP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234098 326330981 /nfs/dbraw/zinc/33/09/81/326330981.db2.gz DZWRBJNDEHLLSA-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234100 326330988 /nfs/dbraw/zinc/33/09/88/326330988.db2.gz DZWRBJNDEHLLSA-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000568247394 326333827 /nfs/dbraw/zinc/33/38/27/326333827.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 1 244.379 0.656 20 0 BCADMP C[N@H+]1CCC[C@@H](CCNC2=[NH+]CCCN2)C1 ZINC000568256303 326336053 /nfs/dbraw/zinc/33/60/53/326336053.db2.gz LSRPGGHVVCFSKR-NSHDSACASA-N 2 1 224.352 0.657 20 0 BCADMP C[C@]1(C[NH3+])CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000568525516 326363330 /nfs/dbraw/zinc/36/33/30/326363330.db2.gz SPSPWSHYGVKBHX-SECBINFHSA-N 2 1 235.278 0.168 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000569230401 326395482 /nfs/dbraw/zinc/39/54/82/326395482.db2.gz WNBNJEXCSGXQDN-BJDJZHNGSA-N 2 1 241.379 0.768 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCCC[NH+]1CCCC1 ZINC000573102064 326429546 /nfs/dbraw/zinc/42/95/46/326429546.db2.gz RCAZYFCUPWGSSW-UHFFFAOYSA-N 2 1 249.305 0.573 20 0 BCADMP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418204989 487982749 /nfs/dbraw/zinc/98/27/49/487982749.db2.gz YILWSSTTXWGHHM-NSHDSACASA-N 2 1 244.383 0.576 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484588 488028235 /nfs/dbraw/zinc/02/82/35/488028235.db2.gz CBKCRSIISMFUFC-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484588 488028238 /nfs/dbraw/zinc/02/82/38/488028238.db2.gz CBKCRSIISMFUFC-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000235935538 488031427 /nfs/dbraw/zinc/03/14/27/488031427.db2.gz DYSSSPHVCMFECE-NSHDSACASA-N 2 1 208.309 0.472 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000310499355 488033769 /nfs/dbraw/zinc/03/37/69/488033769.db2.gz HMXQXMLUZWTKMO-YNEHKIRRSA-N 2 1 244.379 0.845 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084183859 488034724 /nfs/dbraw/zinc/03/47/24/488034724.db2.gz SJEFYVJJDVENGM-NSHDSACASA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084183857 488035064 /nfs/dbraw/zinc/03/50/64/488035064.db2.gz SJEFYVJJDVENGM-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449078 488037774 /nfs/dbraw/zinc/03/77/74/488037774.db2.gz JAKNUPWMKQUOGS-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@]1(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CCC[NH2+]C1 ZINC000663499902 488048412 /nfs/dbraw/zinc/04/84/12/488048412.db2.gz WXLGVXIGSAFDSH-RWMBFGLXSA-N 3 1 223.364 0.575 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000663499946 488049540 /nfs/dbraw/zinc/04/95/40/488049540.db2.gz HACKMMNQUCMESZ-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000663499946 488049537 /nfs/dbraw/zinc/04/95/37/488049537.db2.gz HACKMMNQUCMESZ-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+]CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669490835 488053026 /nfs/dbraw/zinc/05/30/26/488053026.db2.gz AZUXYDYGWZMBBE-NSHDSACASA-N 2 1 240.351 0.119 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000389167117 488079456 /nfs/dbraw/zinc/07/94/56/488079456.db2.gz MVAYYJVBIVHZSE-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000236711127 488082868 /nfs/dbraw/zinc/08/28/68/488082868.db2.gz VIYPWTQOJANUET-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000257702545 488084519 /nfs/dbraw/zinc/08/45/19/488084519.db2.gz ONZMFAQDVNMUSH-IJLUTSLNSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226378599 488084890 /nfs/dbraw/zinc/08/48/90/488084890.db2.gz JWLCDKKTDYOORW-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000257725142 488085302 /nfs/dbraw/zinc/08/53/02/488085302.db2.gz UFRIXOUISSHKGJ-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743552 488087441 /nfs/dbraw/zinc/08/74/41/488087441.db2.gz ZHPCHZRGAJRFTB-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743552 488087444 /nfs/dbraw/zinc/08/74/44/488087444.db2.gz ZHPCHZRGAJRFTB-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257760271 488087838 /nfs/dbraw/zinc/08/78/38/488087838.db2.gz XSFUXOYBIRNZMQ-GFCCVEGCSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257760271 488087845 /nfs/dbraw/zinc/08/78/45/488087845.db2.gz XSFUXOYBIRNZMQ-GFCCVEGCSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257760271 488087850 /nfs/dbraw/zinc/08/78/50/488087850.db2.gz XSFUXOYBIRNZMQ-GFCCVEGCSA-N 2 1 249.362 0.198 20 0 BCADMP Cc1cn[nH]c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257760271 488087854 /nfs/dbraw/zinc/08/78/54/488087854.db2.gz XSFUXOYBIRNZMQ-GFCCVEGCSA-N 2 1 249.362 0.198 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743555 488088166 /nfs/dbraw/zinc/08/81/66/488088166.db2.gz ZHPCHZRGAJRFTB-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743555 488088171 /nfs/dbraw/zinc/08/81/71/488088171.db2.gz ZHPCHZRGAJRFTB-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP CN1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCC1=O ZINC000257783936 488088647 /nfs/dbraw/zinc/08/86/47/488088647.db2.gz KVYCSXKUWGGOFA-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCC1=O ZINC000257783936 488088650 /nfs/dbraw/zinc/08/86/50/488088650.db2.gz KVYCSXKUWGGOFA-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434567 488096144 /nfs/dbraw/zinc/09/61/44/488096144.db2.gz ZMGAWGQPKAKBNF-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437367 488096411 /nfs/dbraw/zinc/09/64/11/488096411.db2.gz MXLRDVYYPUVTHL-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000389442420 488096764 /nfs/dbraw/zinc/09/67/64/488096764.db2.gz OFEFDNIUMULFMV-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP Cc1[nH+]cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712353 488097618 /nfs/dbraw/zinc/09/76/18/488097618.db2.gz DBGSRTUPBBUJOB-QWRGUYRKSA-N 2 1 220.320 0.380 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])[C@H](C)CC)C1 ZINC000389568956 488102229 /nfs/dbraw/zinc/10/22/29/488102229.db2.gz AGSMDHWRIWUOCL-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683578 488105697 /nfs/dbraw/zinc/10/56/97/488105697.db2.gz YIXOTYYBXCSNGF-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690326 488105909 /nfs/dbraw/zinc/10/59/09/488105909.db2.gz ZUSIGONXOHUYAW-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000389692044 488105858 /nfs/dbraw/zinc/10/58/58/488105858.db2.gz FLINPTVPIPWDCG-NXEZZACHSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000389692044 488105861 /nfs/dbraw/zinc/10/58/61/488105861.db2.gz FLINPTVPIPWDCG-NXEZZACHSA-N 2 1 243.376 0.249 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000084856365 488108119 /nfs/dbraw/zinc/10/81/19/488108119.db2.gz MWUQYQUTDPHSBF-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](COC)C1CC1 ZINC000397261660 488109262 /nfs/dbraw/zinc/10/92/62/488109262.db2.gz KKYDSQWXFUBBMO-NEPJUHHUSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](COC)C1CC1 ZINC000397261660 488109268 /nfs/dbraw/zinc/10/92/68/488109268.db2.gz KKYDSQWXFUBBMO-NEPJUHHUSA-N 2 1 230.352 0.314 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000389730810 488109542 /nfs/dbraw/zinc/10/95/42/488109542.db2.gz JQUFVOXHZGERBL-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000397316371 488110366 /nfs/dbraw/zinc/11/03/66/488110366.db2.gz LGYPPPUGPURIIQ-STQMWFEESA-N 2 1 244.379 0.702 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815010 488113253 /nfs/dbraw/zinc/11/32/53/488113253.db2.gz RQPSTXXNBCIKRV-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669512474 488118700 /nfs/dbraw/zinc/11/87/00/488118700.db2.gz DHPLEJFAYHXRGK-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP O=C1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000160335797 488122860 /nfs/dbraw/zinc/12/28/60/488122860.db2.gz XXXZBBWWRRQJPX-UTUOFQBUSA-N 2 1 237.347 0.196 20 0 BCADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000076624001 488126440 /nfs/dbraw/zinc/12/64/40/488126440.db2.gz LJUUXFNEIXBICG-LBPRGKRZSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288565 487544280 /nfs/dbraw/zinc/54/42/80/487544280.db2.gz GHEKWEWLIBUUKE-VWYCJHECSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@H]1CCO ZINC000662302277 487546268 /nfs/dbraw/zinc/54/62/68/487546268.db2.gz LRNALSWOWCSAHE-QWRGUYRKSA-N 2 1 200.326 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674286836 487547392 /nfs/dbraw/zinc/54/73/92/487547392.db2.gz BXJZBGSUGMSTEE-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)=CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662238851 487471917 /nfs/dbraw/zinc/47/19/17/487471917.db2.gz YSWACFSOERUPIG-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP c1cnc2c(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000662229025 487473421 /nfs/dbraw/zinc/47/34/21/487473421.db2.gz FHUAGEKYEQYNRH-UHFFFAOYSA-N 2 1 232.331 0.834 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657975058 487501663 /nfs/dbraw/zinc/50/16/63/487501663.db2.gz WVLXJLPLZYTDHI-DGCLKSJQSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657975058 487501665 /nfs/dbraw/zinc/50/16/65/487501665.db2.gz WVLXJLPLZYTDHI-DGCLKSJQSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000086435402 487507041 /nfs/dbraw/zinc/50/70/41/487507041.db2.gz CUJGDUNUCMQNOU-UHFFFAOYSA-N 2 1 209.293 0.489 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218773 487502235 /nfs/dbraw/zinc/50/22/35/487502235.db2.gz GLGXJLWKFZJKBW-NEPJUHHUSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218773 487502238 /nfs/dbraw/zinc/50/22/38/487502238.db2.gz GLGXJLWKFZJKBW-NEPJUHHUSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC ZINC000662273450 487521567 /nfs/dbraw/zinc/52/15/67/487521567.db2.gz MQRDAUSPGXTJKT-FRRDWIJNSA-N 2 1 242.363 0.579 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+](C)C ZINC000674246316 487526871 /nfs/dbraw/zinc/52/68/71/487526871.db2.gz IZSGPIXOEIMBKT-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCCO)C1CC1 ZINC000379897651 488156096 /nfs/dbraw/zinc/15/60/96/488156096.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCCO)C1CC1 ZINC000379897651 488156099 /nfs/dbraw/zinc/15/60/99/488156099.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCCO)C1CC1 ZINC000379897651 488156103 /nfs/dbraw/zinc/15/61/03/488156103.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCCO)C1CC1 ZINC000379897651 488156107 /nfs/dbraw/zinc/15/61/07/488156107.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 2 1 244.379 0.534 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256676 490041856 /nfs/dbraw/zinc/04/18/56/490041856.db2.gz XXJOUNGSPKIBLI-NSHDSACASA-N 2 1 210.321 0.992 20 0 BCADMP C[NH+](C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000677943012 488162112 /nfs/dbraw/zinc/16/21/12/488162112.db2.gz WDKMKCSXBVVYFF-LLVKDONJSA-N 2 1 225.336 0.243 20 0 BCADMP [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[NH2+]C2)cs1 ZINC000237932300 487535142 /nfs/dbraw/zinc/53/51/42/487535142.db2.gz VGUXAPIBVLMRKE-SSDOTTSWSA-N 2 1 240.332 0.084 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000146448293 487675002 /nfs/dbraw/zinc/67/50/02/487675002.db2.gz AQHYBXCFCXZLLC-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000669463796 487907992 /nfs/dbraw/zinc/90/79/92/487907992.db2.gz WSBDREHIIYYCRA-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396627617 487989241 /nfs/dbraw/zinc/98/92/41/487989241.db2.gz CKWZFCNEUXOYEZ-NEPJUHHUSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579484 488123341 /nfs/dbraw/zinc/12/33/41/488123341.db2.gz PUQBFPLSUUPFIO-GHMZBOCLSA-N 2 1 240.351 0.132 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379446571 488137097 /nfs/dbraw/zinc/13/70/97/488137097.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379446571 488137100 /nfs/dbraw/zinc/13/71/00/488137100.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379446571 488137105 /nfs/dbraw/zinc/13/71/05/488137105.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CN(C[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259031285 488147865 /nfs/dbraw/zinc/14/78/65/488147865.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 2 1 225.380 0.870 20 0 BCADMP CCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000404445386 488160827 /nfs/dbraw/zinc/16/08/27/488160827.db2.gz JOMKYWSBCVNHEJ-JQWIXIFHSA-N 2 1 237.351 0.905 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000085373189 488164156 /nfs/dbraw/zinc/16/41/56/488164156.db2.gz SMTAXUYYPZLQFP-ADEWGFFLSA-N 2 1 237.347 0.467 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673741 488168170 /nfs/dbraw/zinc/16/81/70/488168170.db2.gz KZCLDQFRMIIBEI-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000380016250 488168361 /nfs/dbraw/zinc/16/83/61/488168361.db2.gz LVECXPSMTVOWPE-OLZOCXBDSA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380016250 488168363 /nfs/dbraw/zinc/16/83/63/488168363.db2.gz LVECXPSMTVOWPE-OLZOCXBDSA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380016250 488168365 /nfs/dbraw/zinc/16/83/65/488168365.db2.gz LVECXPSMTVOWPE-OLZOCXBDSA-N 2 1 246.395 0.780 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948484 488173896 /nfs/dbraw/zinc/17/38/96/488173896.db2.gz NYLCQAUHIAQXSK-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000299963135 488195525 /nfs/dbraw/zinc/19/55/25/488195525.db2.gz VJDFQPGMRPFVAZ-QWRGUYRKSA-N 2 1 225.336 0.054 20 0 BCADMP c1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000678349821 488245096 /nfs/dbraw/zinc/24/50/96/488245096.db2.gz NLDVVCBOVMLQDB-CYBMUJFWSA-N 2 1 233.315 0.993 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000054129012 490106730 /nfs/dbraw/zinc/10/67/30/490106730.db2.gz CGAGWLWDCSEKRE-SECBINFHSA-N 2 1 201.314 0.038 20 0 BCADMP C[NH+](C)CCN1CC[N@H+](CCC2CC2)CC1=O ZINC000649686031 490200335 /nfs/dbraw/zinc/20/03/35/490200335.db2.gz VUSKMUVKDXDYAS-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CCN1CC[N@@H+](CCC2CC2)CC1=O ZINC000649686031 490200343 /nfs/dbraw/zinc/20/03/43/490200343.db2.gz VUSKMUVKDXDYAS-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000383746275 490200425 /nfs/dbraw/zinc/20/04/25/490200425.db2.gz DBZXCYHPNQTPKK-DGCLKSJQSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000383746275 490200432 /nfs/dbraw/zinc/20/04/32/490200432.db2.gz DBZXCYHPNQTPKK-DGCLKSJQSA-N 2 1 234.347 0.646 20 0 BCADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078700898 490219391 /nfs/dbraw/zinc/21/93/91/490219391.db2.gz HZLXWCZQDBMSQI-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000078737517 490222296 /nfs/dbraw/zinc/22/22/96/490222296.db2.gz ZHALUDOHGANDFR-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC ZINC000396045095 490353659 /nfs/dbraw/zinc/35/36/59/490353659.db2.gz ZAIQOZKCAVUDBB-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC ZINC000396045095 490353661 /nfs/dbraw/zinc/35/36/61/490353661.db2.gz ZAIQOZKCAVUDBB-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC000396045095 490353665 /nfs/dbraw/zinc/35/36/65/490353665.db2.gz ZAIQOZKCAVUDBB-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1COC ZINC000396045095 490353667 /nfs/dbraw/zinc/35/36/67/490353667.db2.gz ZAIQOZKCAVUDBB-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP O=C(NCCC1CC[NH2+]CC1)[C@H]1CSC[NH2+]1 ZINC000653267611 490498490 /nfs/dbraw/zinc/49/84/90/490498490.db2.gz SSXPFYUHYRNAJE-SNVBAGLBSA-N 2 1 243.376 0.155 20 0 BCADMP c1[nH+]c2c(n1C[C@H]1C[NH2+]CCO1)CCCC2 ZINC000127329293 490545836 /nfs/dbraw/zinc/54/58/36/490545836.db2.gz ICKIWIWWXHGMNO-SNVBAGLBSA-N 2 1 221.304 0.750 20 0 BCADMP C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300424659 490561445 /nfs/dbraw/zinc/56/14/45/490561445.db2.gz ZELUUIXCHOTXIG-XQHKEYJVSA-N 2 1 242.363 0.599 20 0 BCADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000399017150 490652959 /nfs/dbraw/zinc/65/29/59/490652959.db2.gz CLYJGKRNPAZRMY-LBPRGKRZSA-N 2 1 242.363 0.600 20 0 BCADMP Cc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000086552454 491063057 /nfs/dbraw/zinc/06/30/57/491063057.db2.gz LNLYRLHINZHSGX-VXGBXAGGSA-N 2 1 220.320 0.380 20 0 BCADMP [NH3+]CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001180 491121611 /nfs/dbraw/zinc/12/16/11/491121611.db2.gz QHNHKPWKEVQSRQ-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037616179 491128877 /nfs/dbraw/zinc/12/88/77/491128877.db2.gz SSIHGQMVGCQPBD-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]([NH2+]Cc1ncn(C)n1)C1CC[NH+](C)CC1 ZINC000222755958 491133500 /nfs/dbraw/zinc/13/35/00/491133500.db2.gz PSCDWGURAIITMH-JTQLQIEISA-N 2 1 237.351 0.635 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@H+]1C ZINC000132354995 491135529 /nfs/dbraw/zinc/13/55/29/491135529.db2.gz MLMJIWKPROKQQN-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380578 535494375 /nfs/dbraw/zinc/49/43/75/535494375.db2.gz NKWFGZQEJBCDBM-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000400508591 533860600 /nfs/dbraw/zinc/86/06/00/533860600.db2.gz IQAVECNZMLNOMG-IUCAKERBSA-N 2 1 222.279 0.998 20 0 BCADMP CC[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000335360074 535622976 /nfs/dbraw/zinc/62/29/76/535622976.db2.gz SFQWKUBRPMGDMT-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000336041364 535942051 /nfs/dbraw/zinc/94/20/51/535942051.db2.gz KVUNHELKXSTBSP-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCN(C(=O)NCC[NH3+])CCC1(C)C ZINC000891975584 582751475 /nfs/dbraw/zinc/75/14/75/582751475.db2.gz DBADWYVQCDAJCA-UHFFFAOYSA-N 2 1 228.340 0.071 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397480991 517586149 /nfs/dbraw/zinc/58/61/49/517586149.db2.gz NLNOEPKAXXFYJJ-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397480991 517586153 /nfs/dbraw/zinc/58/61/53/517586153.db2.gz NLNOEPKAXXFYJJ-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156096 518179313 /nfs/dbraw/zinc/17/93/13/518179313.db2.gz NPCGNOMNAUYSND-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000261539867 536344387 /nfs/dbraw/zinc/34/43/87/536344387.db2.gz CBZLEJXISZYXCO-NWDGAFQWSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000228310346 524565566 /nfs/dbraw/zinc/56/55/66/524565566.db2.gz KDHJJDXICLPTGG-ZRUFSTJUSA-N 2 1 200.326 0.686 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262124914 534912493 /nfs/dbraw/zinc/91/24/93/534912493.db2.gz MXTMCYNOTZGRLT-NSHDSACASA-N 2 1 224.352 0.800 20 0 BCADMP C[NH2+]CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000262335000 536444783 /nfs/dbraw/zinc/44/47/83/536444783.db2.gz HDQCGLWQPYEMKQ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CNC[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261542904 536458266 /nfs/dbraw/zinc/45/82/66/536458266.db2.gz HFBJQLKERFUKNA-LBPRGKRZSA-N 2 1 211.353 0.670 20 0 BCADMP CNC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261542904 536458267 /nfs/dbraw/zinc/45/82/67/536458267.db2.gz HFBJQLKERFUKNA-LBPRGKRZSA-N 2 1 211.353 0.670 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000494692933 528498865 /nfs/dbraw/zinc/49/88/65/528498865.db2.gz WGDRWWUYLKZHQC-JFGNBEQYSA-N 2 1 239.363 0.711 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178720988 534998253 /nfs/dbraw/zinc/99/82/53/534998253.db2.gz DHKQHQDSQLTVTI-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(N)=O ZINC000252684688 535064996 /nfs/dbraw/zinc/06/49/96/535064996.db2.gz GVIYEDAWJYBCIP-RKDXNWHRSA-N 2 1 201.314 0.165 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(N)=O ZINC000252684688 535065001 /nfs/dbraw/zinc/06/50/01/535065001.db2.gz GVIYEDAWJYBCIP-RKDXNWHRSA-N 2 1 201.314 0.165 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000168722743 535133080 /nfs/dbraw/zinc/13/30/80/535133080.db2.gz CLLDMTVQIPSRJG-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000262324773 535175113 /nfs/dbraw/zinc/17/51/13/535175113.db2.gz FWHXGBFGIWBELH-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000336126730 535228368 /nfs/dbraw/zinc/22/83/68/535228368.db2.gz GFNZYZZVCQAYMW-GHMZBOCLSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000336126730 535228372 /nfs/dbraw/zinc/22/83/72/535228372.db2.gz GFNZYZZVCQAYMW-GHMZBOCLSA-N 2 1 225.336 0.276 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054578 535364266 /nfs/dbraw/zinc/36/42/66/535364266.db2.gz WZDQOYVFWXDRPL-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382286 535493129 /nfs/dbraw/zinc/49/31/29/535493129.db2.gz XKEAQAUTAUIYAS-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389128 535496243 /nfs/dbraw/zinc/49/62/43/535496243.db2.gz JKFPRTNMMRCHQN-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335305553 535516709 /nfs/dbraw/zinc/51/67/09/535516709.db2.gz QMOXPOXRGSEDRX-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CCOCC[N@@H+](CC)CCOCC[NH3+] ZINC000086435782 535585257 /nfs/dbraw/zinc/58/52/57/535585257.db2.gz CYHXGANOHHIBNM-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251382502 535679909 /nfs/dbraw/zinc/67/99/09/535679909.db2.gz WIYLSNZGYAVMHG-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP CCn1nccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000164138037 535871160 /nfs/dbraw/zinc/87/11/60/535871160.db2.gz AZLBJZVYYNUTPY-JTQLQIEISA-N 2 1 208.309 0.684 20 0 BCADMP CCn1nccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000164138037 535871166 /nfs/dbraw/zinc/87/11/66/535871166.db2.gz AZLBJZVYYNUTPY-JTQLQIEISA-N 2 1 208.309 0.684 20 0 BCADMP CCn1nccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000164137910 535871278 /nfs/dbraw/zinc/87/12/78/535871278.db2.gz AZLBJZVYYNUTPY-SNVBAGLBSA-N 2 1 208.309 0.684 20 0 BCADMP CCn1nccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000164137910 535871280 /nfs/dbraw/zinc/87/12/80/535871280.db2.gz AZLBJZVYYNUTPY-SNVBAGLBSA-N 2 1 208.309 0.684 20 0 BCADMP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342664165 535885388 /nfs/dbraw/zinc/88/53/88/535885388.db2.gz OXWSKMJKXFICEN-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC000335930951 536380767 /nfs/dbraw/zinc/38/07/67/536380767.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC000335930951 536380769 /nfs/dbraw/zinc/38/07/69/536380769.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC000335930951 536380773 /nfs/dbraw/zinc/38/07/73/536380773.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH2+][C@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000071198959 536412522 /nfs/dbraw/zinc/41/25/22/536412522.db2.gz NVRITTPXJKLSDH-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP COC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178974131 536583468 /nfs/dbraw/zinc/58/34/68/536583468.db2.gz PRZKMNJRGMJFRS-GFCCVEGCSA-N 2 1 228.336 0.333 20 0 BCADMP COC[C@](C)(CCO)[NH2+]CCn1cc[nH+]c1C ZINC000270817495 536629804 /nfs/dbraw/zinc/62/98/04/536629804.db2.gz APTRYDBRARMOSV-LBPRGKRZSA-N 2 1 241.335 0.569 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892759421 582977761 /nfs/dbraw/zinc/97/77/61/582977761.db2.gz TXGVLCBAZJJXRY-SECBINFHSA-N 2 1 225.292 0.733 20 0 BCADMP C[N@@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245760 588728563 /nfs/dbraw/zinc/72/85/63/588728563.db2.gz CJGIEMFRNGQSAA-XVSSEFHLSA-N 3 1 223.364 0.798 20 0 BCADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000132411886 582738407 /nfs/dbraw/zinc/73/84/07/582738407.db2.gz FKYWVRWBIVWPGK-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000891612142 582702377 /nfs/dbraw/zinc/70/23/77/582702377.db2.gz NBDBDBOAMNMFBC-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP C[NH+]1CCC(C[N@@H+]2CCn3cnnc3C2)CC1 ZINC000891977598 582750720 /nfs/dbraw/zinc/75/07/20/582750720.db2.gz XESVYMRRWUXUJT-UHFFFAOYSA-N 2 1 235.335 0.436 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCn3cnnc3C2)CC1 ZINC000891977598 582750723 /nfs/dbraw/zinc/75/07/23/582750723.db2.gz XESVYMRRWUXUJT-UHFFFAOYSA-N 2 1 235.335 0.436 20 0 BCADMP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C2CC2)n1 ZINC000892250630 582813488 /nfs/dbraw/zinc/81/34/88/582813488.db2.gz BUSYHLKDYGZBHT-TXEJJXNPSA-N 2 1 246.358 0.949 20 0 BCADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C2CC2)n1 ZINC000892250630 582813489 /nfs/dbraw/zinc/81/34/89/582813489.db2.gz BUSYHLKDYGZBHT-TXEJJXNPSA-N 2 1 246.358 0.949 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992428 582819750 /nfs/dbraw/zinc/81/97/50/582819750.db2.gz ABSXFJYCXQCVRV-SNVBAGLBSA-N 2 1 224.352 0.995 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000892429530 582885700 /nfs/dbraw/zinc/88/57/00/582885700.db2.gz NGEKDWKGFXTIAT-VIFPVBQESA-N 2 1 202.298 0.479 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614506 582930195 /nfs/dbraw/zinc/93/01/95/582930195.db2.gz QWBAFPOKXFTCOO-JQWIXIFHSA-N 2 1 228.336 0.869 20 0 BCADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2CO)CC[N@H+]1C ZINC000892673848 582948327 /nfs/dbraw/zinc/94/83/27/582948327.db2.gz OZRBUSACYUMDJV-JQWIXIFHSA-N 2 1 235.331 0.890 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000399127150 583170638 /nfs/dbraw/zinc/17/06/38/583170638.db2.gz TUMRLVRVMIOUOP-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP CCn1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000857085749 588886325 /nfs/dbraw/zinc/88/63/25/588886325.db2.gz HELHRXRHYVORGK-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP CCn1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000857085749 588886326 /nfs/dbraw/zinc/88/63/26/588886326.db2.gz HELHRXRHYVORGK-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857108663 588888729 /nfs/dbraw/zinc/88/87/29/588888729.db2.gz DUJXRVUDRDVQJT-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294342 /nfs/dbraw/zinc/29/43/42/583294342.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 3 1 237.391 0.822 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294345 /nfs/dbraw/zinc/29/43/45/583294345.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 3 1 237.391 0.822 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294347 /nfs/dbraw/zinc/29/43/47/583294347.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 3 1 237.391 0.822 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294348 /nfs/dbraw/zinc/29/43/48/583294348.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 2 1 237.391 0.822 20 0 BCADMP CN1C[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294349 /nfs/dbraw/zinc/29/43/49/583294349.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 2 1 237.391 0.822 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877250387 583305020 /nfs/dbraw/zinc/30/50/20/583305020.db2.gz PNHQDZOKQAUEJF-NNYUYHANSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000333339494 583363659 /nfs/dbraw/zinc/36/36/59/583363659.db2.gz XSYRGSXXDUDTIY-MDZLAQPJSA-N 2 1 239.363 0.775 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000747985157 583416621 /nfs/dbraw/zinc/41/66/21/583416621.db2.gz ZQIXYVNXZPDMJJ-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000747985157 583416627 /nfs/dbraw/zinc/41/66/27/583416627.db2.gz ZQIXYVNXZPDMJJ-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP COCCN(CC[NH+](C)C)Cc1cnc[nH]1 ZINC000894770253 583517064 /nfs/dbraw/zinc/51/70/64/583517064.db2.gz NPSRBVFUUVSPNS-UHFFFAOYSA-N 2 1 226.324 0.420 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894867630 583538312 /nfs/dbraw/zinc/53/83/12/583538312.db2.gz SQAZZONPHNZBGD-NTWDBFDFSA-N 2 1 240.347 0.615 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894867630 583538313 /nfs/dbraw/zinc/53/83/13/583538313.db2.gz SQAZZONPHNZBGD-NTWDBFDFSA-N 2 1 240.347 0.615 20 0 BCADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1COCO1 ZINC000894886984 583546766 /nfs/dbraw/zinc/54/67/66/583546766.db2.gz YIQXPPMALASEHS-LBPRGKRZSA-N 2 1 226.320 0.576 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](CF)C2)CC1 ZINC000894886867 583546964 /nfs/dbraw/zinc/54/69/64/583546964.db2.gz BYPGOLJMEKPYNO-GFCCVEGCSA-N 2 1 230.327 0.999 20 0 BCADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC000895398310 583665127 /nfs/dbraw/zinc/66/51/27/583665127.db2.gz YOGFRHOMMDSNIN-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCCC1 ZINC000895685129 583709684 /nfs/dbraw/zinc/70/96/84/583709684.db2.gz KDUVPXSWGBIIQB-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1[C@H](Nc2ccncc2C(N)=O)CC[N@H+]1C ZINC000895737412 583718202 /nfs/dbraw/zinc/71/82/02/583718202.db2.gz UHLHPLAKNUWMOU-WCBMZHEXSA-N 2 1 234.303 0.107 20 0 BCADMP C[C@H]1[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000895737412 583718203 /nfs/dbraw/zinc/71/82/03/583718203.db2.gz UHLHPLAKNUWMOU-WCBMZHEXSA-N 2 1 234.303 0.107 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CC[S@](C)=O)CC1(C)C ZINC000858139959 588934913 /nfs/dbraw/zinc/93/49/13/588934913.db2.gz VRSOKWPUMKPVBA-BONVTDFDSA-N 2 1 232.393 0.827 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CC[S@](C)=O)CC1(C)C ZINC000858139959 588934914 /nfs/dbraw/zinc/93/49/14/588934914.db2.gz VRSOKWPUMKPVBA-BONVTDFDSA-N 2 1 232.393 0.827 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@H](OC)C1CC1)C[NH+](C)C ZINC000896876251 583843823 /nfs/dbraw/zinc/84/38/23/583843823.db2.gz CNHJURCBZOHIMO-STQMWFEESA-N 2 1 244.379 0.968 20 0 BCADMP CCO[C@@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+](C)C ZINC000896879744 583844782 /nfs/dbraw/zinc/84/47/82/583844782.db2.gz HALXKHSPRCOLLE-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897287936 583910506 /nfs/dbraw/zinc/91/05/06/583910506.db2.gz NOKOBPCFXUYQQI-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897287936 583910508 /nfs/dbraw/zinc/91/05/08/583910508.db2.gz NOKOBPCFXUYQQI-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897287936 583910509 /nfs/dbraw/zinc/91/05/09/583910509.db2.gz NOKOBPCFXUYQQI-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897287936 583910511 /nfs/dbraw/zinc/91/05/11/583910511.db2.gz NOKOBPCFXUYQQI-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983248 583933254 /nfs/dbraw/zinc/93/32/54/583933254.db2.gz UBTWLCKQPGZSDN-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858431230 588954272 /nfs/dbraw/zinc/95/42/72/588954272.db2.gz RNKWKGOHUNYDMD-LLVKDONJSA-N 2 1 229.368 0.942 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898611010 584146061 /nfs/dbraw/zinc/14/60/61/584146061.db2.gz QMZFRAAADIYINT-LLVKDONJSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@@H+](CC(=O)N1CCC[NH+](C)CC1)C1CCC1 ZINC000899936421 584258617 /nfs/dbraw/zinc/25/86/17/584258617.db2.gz VDKNFRDIMCUPFN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](CC(=O)N1CCC[N@H+](C)CC1)C1CCC1 ZINC000899936421 584258618 /nfs/dbraw/zinc/25/86/18/584258618.db2.gz VDKNFRDIMCUPFN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](CC(=O)N1CCC[N@@H+](C)CC1)C1CCC1 ZINC000899936421 584258619 /nfs/dbraw/zinc/25/86/19/584258619.db2.gz VDKNFRDIMCUPFN-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP [NH3+]C1(c2noc(C3=CCC[NH2+]CC3)n2)CC1 ZINC000900017725 584267042 /nfs/dbraw/zinc/26/70/42/584267042.db2.gz ROXDJKSZOTXQRW-UHFFFAOYSA-N 2 1 220.276 0.784 20 0 BCADMP CC(C)(C)[C@H]([NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000900017882 584267131 /nfs/dbraw/zinc/26/71/31/584267131.db2.gz YJOPXXBHEVNJBH-SSDOTTSWSA-N 2 1 224.308 0.933 20 0 BCADMP O=C(N1CC[NH+](C2CC2)CC1)C12CC[NH+](CC1)C2 ZINC000900405087 584303636 /nfs/dbraw/zinc/30/36/36/584303636.db2.gz QWVLHPNCWZSMJX-UHFFFAOYSA-N 2 1 249.358 0.389 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)Cc1cnc[nH]1 ZINC000900694472 584338877 /nfs/dbraw/zinc/33/88/77/584338877.db2.gz IRDQPEIBFJWPBR-VIFPVBQESA-N 2 1 224.308 0.409 20 0 BCADMP C[NH+](C)CCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000900688703 584341284 /nfs/dbraw/zinc/34/12/84/584341284.db2.gz BNZHZBQWEOKRQV-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000900831622 584354813 /nfs/dbraw/zinc/35/48/13/584354813.db2.gz KCEDLNMJVPFPHL-UTUOFQBUSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000900845746 584356791 /nfs/dbraw/zinc/35/67/91/584356791.db2.gz BQOQSDIHVNWYGE-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000900845746 584356792 /nfs/dbraw/zinc/35/67/92/584356792.db2.gz BQOQSDIHVNWYGE-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP OCc1cc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000858868520 588980309 /nfs/dbraw/zinc/98/03/09/588980309.db2.gz LSGHRHSYQJJMIW-LBPRGKRZSA-N 2 1 237.303 0.052 20 0 BCADMP C[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901331233 584424955 /nfs/dbraw/zinc/42/49/55/584424955.db2.gz RLMFULWBUZKLKK-UHFFFAOYSA-N 2 1 249.358 0.460 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000902394406 584584455 /nfs/dbraw/zinc/58/44/55/584584455.db2.gz VTKWWUYHGCYPKK-NSHDSACASA-N 3 1 211.353 0.574 20 0 BCADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000902397024 584585615 /nfs/dbraw/zinc/58/56/15/584585615.db2.gz LUVTUYHBMIRFBM-RYUDHWBXSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@H]([NH2+]CCCON)c1c[nH+]ccc1N ZINC000902416663 584590098 /nfs/dbraw/zinc/59/00/98/584590098.db2.gz VUGBRHPXIBGQSP-QMMMGPOBSA-N 2 1 210.281 0.425 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000902416943 584590934 /nfs/dbraw/zinc/59/09/34/584590934.db2.gz PWVDGRHAPISZHQ-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902447252 584604942 /nfs/dbraw/zinc/60/49/42/584604942.db2.gz XOMKJMYJSBTVEL-LOWDOPEQSA-N 2 1 237.391 0.962 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000902450907 584607051 /nfs/dbraw/zinc/60/70/51/584607051.db2.gz DNXGNEYEOORPIJ-KPXOBLAASA-N 2 1 222.332 0.892 20 0 BCADMP CC1(C)CC[N@@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000902456609 584609926 /nfs/dbraw/zinc/60/99/26/584609926.db2.gz OZWVMWKQRJQEHC-GFCCVEGCSA-N 2 1 241.379 0.296 20 0 BCADMP C[C@@H](CCCC[NH3+])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462674 584612393 /nfs/dbraw/zinc/61/23/93/584612393.db2.gz XIHSDMYJGSSYQQ-NNYUYHANSA-N 2 1 211.353 0.986 20 0 BCADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902462674 584612394 /nfs/dbraw/zinc/61/23/94/584612394.db2.gz XIHSDMYJGSSYQQ-NNYUYHANSA-N 2 1 211.353 0.986 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471332 584616567 /nfs/dbraw/zinc/61/65/67/584616567.db2.gz NLKJPCZADBFBGI-QCNOEVLYSA-N 2 1 210.321 0.894 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1c[nH+]ccc1N ZINC000902490182 584617401 /nfs/dbraw/zinc/61/74/01/584617401.db2.gz UICNANQNKNOUJO-GUBZILKMSA-N 3 1 220.320 0.882 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502386 584620544 /nfs/dbraw/zinc/62/05/44/584620544.db2.gz DZEKSLYAGYBTFU-WDEREUQCSA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502385 584620987 /nfs/dbraw/zinc/62/09/87/584620987.db2.gz DZEKSLYAGYBTFU-QWRGUYRKSA-N 2 1 212.337 0.878 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000902512589 584623323 /nfs/dbraw/zinc/62/33/23/584623323.db2.gz ASWIYQCGVUDCSR-DCAQKATOSA-N 2 1 216.325 0.114 20 0 BCADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000902485995 584625536 /nfs/dbraw/zinc/62/55/36/584625536.db2.gz DSKWPCYBTJRRGC-FDYHWXHSSA-N 2 1 223.364 0.940 20 0 BCADMP CNc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000902486904 584626224 /nfs/dbraw/zinc/62/62/24/584626224.db2.gz HTNVDIZSWNQBMJ-AWEZNQCLSA-N 2 1 249.358 0.885 20 0 BCADMP CNc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000902486904 584626227 /nfs/dbraw/zinc/62/62/27/584626227.db2.gz HTNVDIZSWNQBMJ-AWEZNQCLSA-N 2 1 249.358 0.885 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000902488235 584627030 /nfs/dbraw/zinc/62/70/30/584627030.db2.gz MKRAYYLUOKUCTG-CCKSWGLSSA-N 2 1 221.348 0.310 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902489405 584627200 /nfs/dbraw/zinc/62/72/00/584627200.db2.gz QFTJFIWBRIMWDR-UMSPYCQHSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000902489541 584627678 /nfs/dbraw/zinc/62/76/78/584627678.db2.gz RBMJDPWAGKHHEM-DDHJBXDOSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000902489541 584627679 /nfs/dbraw/zinc/62/76/79/584627679.db2.gz RBMJDPWAGKHHEM-DDHJBXDOSA-N 2 1 211.353 0.844 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903058181 584722514 /nfs/dbraw/zinc/72/25/14/584722514.db2.gz HHYDXLGDOIRCIW-QWHCGFSZSA-N 2 1 240.347 0.618 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000903400470 584760695 /nfs/dbraw/zinc/76/06/95/584760695.db2.gz QDTSGNDOZAERAP-DGCLKSJQSA-N 2 1 242.363 0.722 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000903433234 584762204 /nfs/dbraw/zinc/76/22/04/584762204.db2.gz WKWDBTOKCDTEOX-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCSC[C@@H]1CCO ZINC000903441393 584763761 /nfs/dbraw/zinc/76/37/61/584763761.db2.gz QDLMLVJZSFFKRJ-WOPDTQHZSA-N 2 1 244.404 0.642 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424971 584765278 /nfs/dbraw/zinc/76/52/78/584765278.db2.gz NPJJDXGJQDOLIZ-XQHKEYJVSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424971 584765279 /nfs/dbraw/zinc/76/52/79/584765279.db2.gz NPJJDXGJQDOLIZ-XQHKEYJVSA-N 3 1 225.380 0.901 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903424941 584765309 /nfs/dbraw/zinc/76/53/09/584765309.db2.gz MNLACQVPEFMAPN-LOWDOPEQSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903424941 584765310 /nfs/dbraw/zinc/76/53/10/584765310.db2.gz MNLACQVPEFMAPN-LOWDOPEQSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458891 584765719 /nfs/dbraw/zinc/76/57/19/584765719.db2.gz MKPDSNSECCTTJS-NDBYEHHHSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458891 584765720 /nfs/dbraw/zinc/76/57/20/584765720.db2.gz MKPDSNSECCTTJS-NDBYEHHHSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458892 584766096 /nfs/dbraw/zinc/76/60/96/584766096.db2.gz MKPDSNSECCTTJS-RNJOBUHISA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458892 584766097 /nfs/dbraw/zinc/76/60/97/584766097.db2.gz MKPDSNSECCTTJS-RNJOBUHISA-N 3 1 225.380 0.759 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOC1CC1)C2 ZINC000903464206 584767037 /nfs/dbraw/zinc/76/70/37/584767037.db2.gz DFGKYCSDNMUSIQ-JQWIXIFHSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOC1CC1)C2 ZINC000903464206 584767039 /nfs/dbraw/zinc/76/70/39/584767039.db2.gz DFGKYCSDNMUSIQ-JQWIXIFHSA-N 2 1 210.321 0.979 20 0 BCADMP C[N@H+]1CCN(C[C@H]2CCC[NH2+]2)C(C)(C)C1 ZINC000903464158 584767254 /nfs/dbraw/zinc/76/72/54/584767254.db2.gz BRPVEDSXYPJVHO-LLVKDONJSA-N 2 1 211.353 0.764 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464085 584767286 /nfs/dbraw/zinc/76/72/86/584767286.db2.gz YUFKSIADGNFTKW-ZYGVAYEYSA-N 3 1 209.337 0.537 20 0 BCADMP NCC12CC(C1)C[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464085 584767287 /nfs/dbraw/zinc/76/72/87/584767287.db2.gz YUFKSIADGNFTKW-ZYGVAYEYSA-N 2 1 209.337 0.537 20 0 BCADMP NCC12CC(C1)C[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464085 584767288 /nfs/dbraw/zinc/76/72/88/584767288.db2.gz YUFKSIADGNFTKW-ZYGVAYEYSA-N 2 1 209.337 0.537 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447399 584770443 /nfs/dbraw/zinc/77/04/43/584770443.db2.gz QVDWSIQQDRUALE-KXNHARMFSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447399 584770444 /nfs/dbraw/zinc/77/04/44/584770444.db2.gz QVDWSIQQDRUALE-KXNHARMFSA-N 3 1 211.353 0.511 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H]2CCN(OC)C2=O)CC[C@@H]1[NH3+] ZINC000903449790 584771538 /nfs/dbraw/zinc/77/15/38/584771538.db2.gz GEKTUXHDNAZZDD-VWYCJHECSA-N 2 1 241.335 0.208 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCN(OC)C2=O)CC[C@@H]1[NH3+] ZINC000903449790 584771539 /nfs/dbraw/zinc/77/15/39/584771539.db2.gz GEKTUXHDNAZZDD-VWYCJHECSA-N 2 1 241.335 0.208 20 0 BCADMP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)[C@@H](C)C[N@H+]1C ZINC000903455329 584773967 /nfs/dbraw/zinc/77/39/67/584773967.db2.gz UNPIDHGYNNUFFS-GRYCIOLGSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455330 584774302 /nfs/dbraw/zinc/77/43/02/584774302.db2.gz UNPIDHGYNNUFFS-IJLUTSLNSA-N 2 1 211.353 0.763 20 0 BCADMP COC[C@]1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473942 584776321 /nfs/dbraw/zinc/77/63/21/584776321.db2.gz CLLLIVIPMSMUML-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP CON1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000903482691 584778530 /nfs/dbraw/zinc/77/85/30/584778530.db2.gz PEXASRWXNKYBHG-LLVKDONJSA-N 2 1 243.351 0.600 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499173 584780336 /nfs/dbraw/zinc/78/03/36/584780336.db2.gz IIXHKRFCEQILGD-GHMZBOCLSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CC[NH3+] ZINC000903497480 584780763 /nfs/dbraw/zinc/78/07/63/584780763.db2.gz ZECHQANFWPPJCS-DGCLKSJQSA-N 2 1 249.358 0.802 20 0 BCADMP CCCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490958 584780836 /nfs/dbraw/zinc/78/08/36/584780836.db2.gz OSWHRFWWNBWKRV-LOWVWBTDSA-N 2 1 240.347 0.999 20 0 BCADMP Cc1nc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903491054 584781013 /nfs/dbraw/zinc/78/10/13/584781013.db2.gz SZIKUKRUGHMZDG-GHMZBOCLSA-N 2 1 236.319 0.777 20 0 BCADMP Cc1nc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903491054 584781015 /nfs/dbraw/zinc/78/10/15/584781015.db2.gz SZIKUKRUGHMZDG-GHMZBOCLSA-N 2 1 236.319 0.777 20 0 BCADMP C[C@H]1C[N@H+](CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556781 584783301 /nfs/dbraw/zinc/78/33/01/584783301.db2.gz DTUOINSTZZAWGF-NWDGAFQWSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@H]1C[N@@H+](CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556781 584783303 /nfs/dbraw/zinc/78/33/03/584783303.db2.gz DTUOINSTZZAWGF-NWDGAFQWSA-N 2 1 241.379 0.376 20 0 BCADMP CC[N@@H+](CCCO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732595 584792956 /nfs/dbraw/zinc/79/29/56/584792956.db2.gz GRQJPWQFXKPTSR-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746843 584794702 /nfs/dbraw/zinc/79/47/02/584794702.db2.gz MAKPLLFNDTYQGC-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746843 584794703 /nfs/dbraw/zinc/79/47/03/584794703.db2.gz MAKPLLFNDTYQGC-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903752012 584795349 /nfs/dbraw/zinc/79/53/49/584795349.db2.gz OJIPQDAOGIVZCT-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](Cc1ccccc1CF)C[C@H](O)C[NH3+] ZINC000903751014 584795433 /nfs/dbraw/zinc/79/54/33/584795433.db2.gz BFWVVKSZPQRGEX-GFCCVEGCSA-N 2 1 226.295 0.908 20 0 BCADMP C[N@H+](Cc1ccccc1CF)C[C@H](O)C[NH3+] ZINC000903751014 584795435 /nfs/dbraw/zinc/79/54/35/584795435.db2.gz BFWVVKSZPQRGEX-GFCCVEGCSA-N 2 1 226.295 0.908 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753069 584795979 /nfs/dbraw/zinc/79/59/79/584795979.db2.gz ZOMZHRSFTHTGBK-YNEHKIRRSA-N 2 1 240.347 0.212 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903753698 584796215 /nfs/dbraw/zinc/79/62/15/584796215.db2.gz XDQLTOZXRHHQEZ-BJDJZHNGSA-N 2 1 242.363 0.753 20 0 BCADMP COCC(COC)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903769526 584798154 /nfs/dbraw/zinc/79/81/54/584798154.db2.gz IGMNQLUDTDDPIZ-PWSUYJOCSA-N 2 1 228.336 0.461 20 0 BCADMP COCC(COC)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903769526 584798155 /nfs/dbraw/zinc/79/81/55/584798155.db2.gz IGMNQLUDTDDPIZ-PWSUYJOCSA-N 2 1 228.336 0.461 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903769587 584798292 /nfs/dbraw/zinc/79/82/92/584798292.db2.gz JWNAHRXMSWZQNE-ZDUSSCGKSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903769587 584798293 /nfs/dbraw/zinc/79/82/93/584798293.db2.gz JWNAHRXMSWZQNE-ZDUSSCGKSA-N 2 1 243.395 0.544 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805087 584802562 /nfs/dbraw/zinc/80/25/62/584802562.db2.gz LPZZGDBSZHLXNN-WOPDTQHZSA-N 2 1 212.337 0.961 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805087 584802564 /nfs/dbraw/zinc/80/25/64/584802564.db2.gz LPZZGDBSZHLXNN-WOPDTQHZSA-N 2 1 212.337 0.961 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806072 584802898 /nfs/dbraw/zinc/80/28/98/584802898.db2.gz UGXHVVVEHMTECA-YNEHKIRRSA-N 2 1 242.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806072 584802900 /nfs/dbraw/zinc/80/29/00/584802900.db2.gz UGXHVVVEHMTECA-YNEHKIRRSA-N 2 1 242.363 0.587 20 0 BCADMP C[C@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819914 584803227 /nfs/dbraw/zinc/80/32/27/584803227.db2.gz QCESVXVHSVMBSX-NSHDSACASA-N 2 1 228.336 0.212 20 0 BCADMP CC1(C)C[NH2+]C[C@H]1NCC1CC[NH2+]CC1 ZINC000903821277 584803837 /nfs/dbraw/zinc/80/38/37/584803837.db2.gz JABILLOLQAWFOI-LLVKDONJSA-N 2 1 211.353 0.574 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903823203 584804451 /nfs/dbraw/zinc/80/44/51/584804451.db2.gz DCHKWBZVSUIMOR-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903823203 584804452 /nfs/dbraw/zinc/80/44/52/584804452.db2.gz DCHKWBZVSUIMOR-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP Cc1noc(C[C@@H]2CCC[N@@H+](CCC[NH3+])C2)n1 ZINC000903823033 584804468 /nfs/dbraw/zinc/80/44/68/584804468.db2.gz BQLBNPVGUHFGPB-NSHDSACASA-N 2 1 238.335 0.981 20 0 BCADMP CC[N@@H+](CCC[NH2+]C1CC1)CCC(=O)NC ZINC000903825912 584804501 /nfs/dbraw/zinc/80/45/01/584804501.db2.gz DZYBNQLQWMROTI-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903824247 584804719 /nfs/dbraw/zinc/80/47/19/584804719.db2.gz OMPWQIZAEVQAKM-RYUDHWBXSA-N 2 1 228.336 0.605 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903824247 584804721 /nfs/dbraw/zinc/80/47/21/584804721.db2.gz OMPWQIZAEVQAKM-RYUDHWBXSA-N 2 1 228.336 0.605 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903827223 584804845 /nfs/dbraw/zinc/80/48/45/584804845.db2.gz QRTFMNHPYZBHNJ-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903826322 584804995 /nfs/dbraw/zinc/80/49/95/584804995.db2.gz IELMYXWXOBCUSM-GVXVVHGQSA-N 2 1 237.347 0.183 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839224 584807015 /nfs/dbraw/zinc/80/70/15/584807015.db2.gz JCXZKJIBYOWDCH-GARJFASQSA-N 2 1 216.300 0.391 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842964 584807512 /nfs/dbraw/zinc/80/75/12/584807512.db2.gz YWHJGLPTXDOVSE-VOAKCMCISA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903843335 584807649 /nfs/dbraw/zinc/80/76/49/584807649.db2.gz IVKVHMLOWMOWIS-YFKTTZPYSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CC[NH2+]C1)C2 ZINC000903843335 584807650 /nfs/dbraw/zinc/80/76/50/584807650.db2.gz IVKVHMLOWMOWIS-YFKTTZPYSA-N 2 1 209.337 0.408 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1=O ZINC000903854189 584808565 /nfs/dbraw/zinc/80/85/65/584808565.db2.gz IVVGZVIRDNBDBU-OCCSQVGLSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1=O ZINC000903854189 584808566 /nfs/dbraw/zinc/80/85/66/584808566.db2.gz IVVGZVIRDNBDBU-OCCSQVGLSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903854842 584808761 /nfs/dbraw/zinc/80/87/61/584808761.db2.gz KSFBYCJFUFOONM-OLZOCXBDSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903854842 584808762 /nfs/dbraw/zinc/80/87/62/584808762.db2.gz KSFBYCJFUFOONM-OLZOCXBDSA-N 2 1 234.347 0.776 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])OC ZINC000903857355 584809906 /nfs/dbraw/zinc/80/99/06/584809906.db2.gz DJXPUDCDANMQCB-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])OC ZINC000903857355 584809907 /nfs/dbraw/zinc/80/99/07/584809907.db2.gz DJXPUDCDANMQCB-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860017 584811732 /nfs/dbraw/zinc/81/17/32/584811732.db2.gz PXNZTPCDGMECBJ-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860017 584811733 /nfs/dbraw/zinc/81/17/33/584811733.db2.gz PXNZTPCDGMECBJ-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP COCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890583 584813839 /nfs/dbraw/zinc/81/38/39/584813839.db2.gz FPMWTACCRQHSOX-YHWZYXNKSA-N 2 1 242.363 0.458 20 0 BCADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869889 584814294 /nfs/dbraw/zinc/81/42/94/584814294.db2.gz KFVOMNYXKXYLHL-QWHCGFSZSA-N 3 1 223.364 0.814 20 0 BCADMP C(CN1CCC[C@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869889 584814295 /nfs/dbraw/zinc/81/42/95/584814295.db2.gz KFVOMNYXKXYLHL-QWHCGFSZSA-N 2 1 223.364 0.814 20 0 BCADMP O[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872004 584814937 /nfs/dbraw/zinc/81/49/37/584814937.db2.gz ACKKYHYKGVEFRQ-WVMKXHBISA-N 2 1 224.348 0.974 20 0 BCADMP [NH3+]C1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873877 584815769 /nfs/dbraw/zinc/81/57/69/584815769.db2.gz NAILQUXYDCTJQN-VGPLMAKISA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H](CN)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874223 584815870 /nfs/dbraw/zinc/81/58/70/584815870.db2.gz VNQQSZAKYCPLDG-WAAKLRNESA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H](C[NH3+])N(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874223 584815871 /nfs/dbraw/zinc/81/58/71/584815871.db2.gz VNQQSZAKYCPLDG-WAAKLRNESA-N 2 1 211.353 0.796 20 0 BCADMP C[N@@H+](CCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874222 584815892 /nfs/dbraw/zinc/81/58/92/584815892.db2.gz VNFAFLCLXVYREO-YOGCLGLASA-N 3 1 211.353 0.798 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873512 584816045 /nfs/dbraw/zinc/81/60/45/584816045.db2.gz IZEIIAIFIDDISW-WODVXLOZSA-N 3 1 223.364 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903873976 584816207 /nfs/dbraw/zinc/81/62/07/584816207.db2.gz PRVYYGWLRWVAHE-ODWCKFRGSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903873976 584816208 /nfs/dbraw/zinc/81/62/08/584816208.db2.gz PRVYYGWLRWVAHE-ODWCKFRGSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903875560 584816488 /nfs/dbraw/zinc/81/64/88/584816488.db2.gz QSDKAPBGMIXDDX-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903875560 584816489 /nfs/dbraw/zinc/81/64/89/584816489.db2.gz QSDKAPBGMIXDDX-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000903880321 584817287 /nfs/dbraw/zinc/81/72/87/584817287.db2.gz PBELACBXXXGLPV-UHFFFAOYSA-N 2 1 233.315 0.249 20 0 BCADMP C[N@@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000903880321 584817289 /nfs/dbraw/zinc/81/72/89/584817289.db2.gz PBELACBXXXGLPV-UHFFFAOYSA-N 2 1 233.315 0.249 20 0 BCADMP COC[C@H]1CNCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903880434 584817457 /nfs/dbraw/zinc/81/74/57/584817457.db2.gz IFTHCUPTLQUAHW-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903880434 584817458 /nfs/dbraw/zinc/81/74/58/584817458.db2.gz IFTHCUPTLQUAHW-CHWSQXEVSA-N 2 1 241.379 0.296 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903881467 584817897 /nfs/dbraw/zinc/81/78/97/584817897.db2.gz FMTDVUAACPTCLF-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903881467 584817899 /nfs/dbraw/zinc/81/78/99/584817899.db2.gz FMTDVUAACPTCLF-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)(CCO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903899178 584820530 /nfs/dbraw/zinc/82/05/30/584820530.db2.gz QIGGAYWDDILTGY-SSDOTTSWSA-N 2 1 210.268 0.720 20 0 BCADMP C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000903918408 584822333 /nfs/dbraw/zinc/82/23/33/584822333.db2.gz YVLNIQCQHSFREH-PSEXLTFBSA-N 2 1 223.364 0.859 20 0 BCADMP CC[C@H](N)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918721 584822627 /nfs/dbraw/zinc/82/26/27/584822627.db2.gz GEVQPDYFUMPMBB-HSTDOPHLSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+]CC(F)(F)CNC[C@@H]([NH3+])CC(F)F ZINC000903918582 584822680 /nfs/dbraw/zinc/82/26/80/584822680.db2.gz BZKFNORPLFQRBK-YFKPBYRVSA-N 2 1 217.210 0.153 20 0 BCADMP C[C@H](N)[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920985 584823099 /nfs/dbraw/zinc/82/30/99/584823099.db2.gz ZGCITCNYTBJHDE-QUDJTUOCSA-N 2 1 211.353 0.842 20 0 BCADMP CNC[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932724 584824723 /nfs/dbraw/zinc/82/47/23/584824723.db2.gz GBLJLXKKQZJPPG-WAAKLRNESA-N 2 1 211.353 0.715 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)CC[C@@H]21 ZINC000903937406 584826356 /nfs/dbraw/zinc/82/63/56/584826356.db2.gz KEVAYWSPTZQGPA-VWYCJHECSA-N 2 1 247.333 0.995 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CC[NH+](C)CC1 ZINC000903974131 584832655 /nfs/dbraw/zinc/83/26/55/584832655.db2.gz JOPCUJZDCRVYPM-VXGBXAGGSA-N 3 1 225.380 0.916 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978097 584832896 /nfs/dbraw/zinc/83/28/96/584832896.db2.gz FJFWHCFTDVQIBU-LPWJVIDDSA-N 3 1 223.364 0.513 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964067 584834095 /nfs/dbraw/zinc/83/40/95/584834095.db2.gz KPVCCAXVWAJBEP-NXEZZACHSA-N 2 1 228.336 0.773 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903963863 584834245 /nfs/dbraw/zinc/83/42/45/584834245.db2.gz IANKLUDQANPRPV-FVCCEPFGSA-N 2 1 225.380 0.914 20 0 BCADMP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968470 584834876 /nfs/dbraw/zinc/83/48/76/584834876.db2.gz WQKTUUKMOMWMQY-VWYCJHECSA-N 2 1 248.392 0.255 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000903967517 584835213 /nfs/dbraw/zinc/83/52/13/584835213.db2.gz KGWWZFMTONKQJW-GRYCIOLGSA-N 3 1 211.353 0.431 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000903984520 584835363 /nfs/dbraw/zinc/83/53/63/584835363.db2.gz FWGVDFJMGSWUFY-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H](CN2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903984520 584835364 /nfs/dbraw/zinc/83/53/64/584835364.db2.gz FWGVDFJMGSWUFY-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP CC[N@H+](CCC(N)=O)C[C@H]([NH3+])CC(C)C ZINC000903987367 584836112 /nfs/dbraw/zinc/83/61/12/584836112.db2.gz DKFWNXCGZVIZJZ-SNVBAGLBSA-N 2 1 215.341 0.557 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]([NH3+])CC(C)C ZINC000903987367 584836113 /nfs/dbraw/zinc/83/61/13/584836113.db2.gz DKFWNXCGZVIZJZ-SNVBAGLBSA-N 2 1 215.341 0.557 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299899 584860435 /nfs/dbraw/zinc/86/04/35/584860435.db2.gz QWYALPGGHDZLFD-WYUUTHIRSA-N 3 1 211.353 0.783 20 0 BCADMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CN ZINC000904299775 584860695 /nfs/dbraw/zinc/86/06/95/584860695.db2.gz OBYASOOLPAVSCK-YFKTTZPYSA-N 2 1 211.353 0.783 20 0 BCADMP C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000904299775 584860697 /nfs/dbraw/zinc/86/06/97/584860697.db2.gz OBYASOOLPAVSCK-YFKTTZPYSA-N 2 1 211.353 0.783 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3(C2)OCCO3)C1 ZINC000904315363 584863238 /nfs/dbraw/zinc/86/32/38/584863238.db2.gz APRCDWNCHAYARG-AOOOYVTPSA-N 2 1 212.293 0.173 20 0 BCADMP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314382 584863600 /nfs/dbraw/zinc/86/36/00/584863600.db2.gz VRTRFBVCUSSDQS-SDDRHHMPSA-N 2 1 239.363 0.701 20 0 BCADMP COCC[N@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904317485 584863764 /nfs/dbraw/zinc/86/37/64/584863764.db2.gz ZGAIYSQDDOBUHZ-GFCCVEGCSA-N 2 1 230.352 0.317 20 0 BCADMP COCC[N@@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904317485 584863765 /nfs/dbraw/zinc/86/37/65/584863765.db2.gz ZGAIYSQDDOBUHZ-GFCCVEGCSA-N 2 1 230.352 0.317 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000904318492 584863922 /nfs/dbraw/zinc/86/39/22/584863922.db2.gz QUDVOZWZRZMDFG-SDDRHHMPSA-N 2 1 212.337 0.818 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3OCCO3)C2)C1 ZINC000904316923 584864357 /nfs/dbraw/zinc/86/43/57/584864357.db2.gz SCPLPNTWGBODFN-UTUOFQBUSA-N 2 1 240.347 0.809 20 0 BCADMP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321840 584864430 /nfs/dbraw/zinc/86/44/30/584864430.db2.gz HWKOTUGDRPLHKL-MXWKQRLJSA-N 2 1 248.392 0.479 20 0 BCADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321886 584864506 /nfs/dbraw/zinc/86/45/06/584864506.db2.gz JLXMDOIDTUZECE-WYUUTHIRSA-N 2 1 212.337 0.959 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865093 /nfs/dbraw/zinc/86/50/93/584865093.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865095 /nfs/dbraw/zinc/86/50/95/584865095.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865096 /nfs/dbraw/zinc/86/50/96/584865096.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000904326915 584865211 /nfs/dbraw/zinc/86/52/11/584865211.db2.gz SYYXTYUCMHYNBU-USZNOCQGSA-N 2 1 242.388 0.930 20 0 BCADMP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326983 584865261 /nfs/dbraw/zinc/86/52/61/584865261.db2.gz VPVBZEKSUYMULW-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904328378 584865391 /nfs/dbraw/zinc/86/53/91/584865391.db2.gz OFJVGFCMSVBDQL-DTORHVGOSA-N 2 1 212.293 0.361 20 0 BCADMP COC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904328378 584865393 /nfs/dbraw/zinc/86/53/93/584865393.db2.gz OFJVGFCMSVBDQL-DTORHVGOSA-N 2 1 212.293 0.361 20 0 BCADMP Cc1nc(C(C)(C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904329337 584865912 /nfs/dbraw/zinc/86/59/12/584865912.db2.gz WMHPFBZXCHEATR-DTORHVGOSA-N 2 1 224.308 0.940 20 0 BCADMP C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330092 584866169 /nfs/dbraw/zinc/86/61/69/584866169.db2.gz ZIORQYJWJNHBFT-KKOKHZNYSA-N 2 1 212.337 0.817 20 0 BCADMP CC(C)OC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904341551 584866973 /nfs/dbraw/zinc/86/69/73/584866973.db2.gz OYYSLRAVLQSDEU-FRRDWIJNSA-N 2 1 242.363 0.850 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342289 584867058 /nfs/dbraw/zinc/86/70/58/584867058.db2.gz CEMPNPIHEGGIOL-NNYUYHANSA-N 2 1 228.336 0.459 20 0 BCADMP COC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342292 584867248 /nfs/dbraw/zinc/86/72/48/584867248.db2.gz CEMPNPIHEGGIOL-YFKTTZPYSA-N 2 1 228.336 0.459 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@@]23CCOC3)C1 ZINC000904345622 584868223 /nfs/dbraw/zinc/86/82/23/584868223.db2.gz GQMLVXATAQMEDP-TUAOUCFPSA-N 2 1 226.320 0.215 20 0 BCADMP COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345303 584868262 /nfs/dbraw/zinc/86/82/62/584868262.db2.gz CSOHYRMJIRISLQ-WYUUTHIRSA-N 2 1 240.347 0.997 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2CCO)C1 ZINC000904346419 584868517 /nfs/dbraw/zinc/86/85/17/584868517.db2.gz UJOSMPQQUIVZDV-AXFHLTTASA-N 2 1 230.377 0.524 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904351626 584869566 /nfs/dbraw/zinc/86/95/66/584869566.db2.gz ZVXROMFAWNNXOD-GRYCIOLGSA-N 3 1 209.337 0.409 20 0 BCADMP C[C@H]([NH2+]Cc1ccc(N)nn1)[C@@H]1CCC[NH2+]C1 ZINC000904353822 584870317 /nfs/dbraw/zinc/87/03/17/584870317.db2.gz RWGWPSQTALOGTA-VHSXEESVSA-N 2 1 235.335 0.537 20 0 BCADMP Nc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000904356695 584871115 /nfs/dbraw/zinc/87/11/15/584871115.db2.gz XYGMJUOUMXBDAV-DTWKUNHWSA-N 2 1 221.308 0.418 20 0 BCADMP C[C@H](O)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368654 584872921 /nfs/dbraw/zinc/87/29/21/584872921.db2.gz LRSVQTZYQMNVRL-XQHKEYJVSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@H](O)C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368654 584872922 /nfs/dbraw/zinc/87/29/22/584872922.db2.gz LRSVQTZYQMNVRL-XQHKEYJVSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368654 584872923 /nfs/dbraw/zinc/87/29/23/584872923.db2.gz LRSVQTZYQMNVRL-XQHKEYJVSA-N 2 1 241.379 0.111 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000904372489 584873671 /nfs/dbraw/zinc/87/36/71/584873671.db2.gz CTBPSPKKFYRRLG-GRYCIOLGSA-N 3 1 209.337 0.552 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000904372489 584873672 /nfs/dbraw/zinc/87/36/72/584873672.db2.gz CTBPSPKKFYRRLG-GRYCIOLGSA-N 3 1 209.337 0.552 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904373509 584873687 /nfs/dbraw/zinc/87/36/87/584873687.db2.gz RTACYMCAEBPMIB-UPJWGTAASA-N 2 1 242.363 0.051 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904373507 584873896 /nfs/dbraw/zinc/87/38/96/584873896.db2.gz RTACYMCAEBPMIB-AGIUHOORSA-N 2 1 242.363 0.051 20 0 BCADMP C[C@]1(CN2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904373276 584874083 /nfs/dbraw/zinc/87/40/83/584874083.db2.gz NSNMRYLUGLSWCR-LBPRGKRZSA-N 2 1 241.379 0.162 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904388352 584874934 /nfs/dbraw/zinc/87/49/34/584874934.db2.gz HTNLNIYIWZQVPI-LBPRGKRZSA-N 2 1 227.352 0.573 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000904388789 584875046 /nfs/dbraw/zinc/87/50/46/584875046.db2.gz BALJVDLUEYSHLS-YPMHNXCESA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+]CC1CC(N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000904380679 584876560 /nfs/dbraw/zinc/87/65/60/584876560.db2.gz OFDJXQRAILZUOF-VQXHTEKXSA-N 2 1 209.337 0.598 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379231 584876625 /nfs/dbraw/zinc/87/66/25/584876625.db2.gz RJFDCPHTXFWEGF-WYUUTHIRSA-N 2 1 210.321 0.692 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584876995 /nfs/dbraw/zinc/87/69/95/584876995.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 2 1 223.364 0.750 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584876997 /nfs/dbraw/zinc/87/69/97/584876997.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584876998 /nfs/dbraw/zinc/87/69/98/584876998.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584876999 /nfs/dbraw/zinc/87/69/99/584876999.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584877001 /nfs/dbraw/zinc/87/70/01/584877001.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 3 1 223.364 0.750 20 0 BCADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904384958 584877273 /nfs/dbraw/zinc/87/72/73/584877273.db2.gz PVCUFABNVIKAQR-OUAUKWLOSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000904409688 584879079 /nfs/dbraw/zinc/87/90/79/584879079.db2.gz GHLKKASKIGBGAJ-FIQHERPVSA-N 3 1 211.353 0.640 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000904409689 584879267 /nfs/dbraw/zinc/87/92/67/584879267.db2.gz GHLKKASKIGBGAJ-KKOKHZNYSA-N 3 1 211.353 0.640 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000904407596 584879269 /nfs/dbraw/zinc/87/92/69/584879269.db2.gz XDEZAWGLLQZOLC-UTUOFQBUSA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407602 584879398 /nfs/dbraw/zinc/87/93/98/584879398.db2.gz XITKNMYMCXFWBM-IUCAKERBSA-N 3 1 221.295 0.640 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407602 584879399 /nfs/dbraw/zinc/87/93/99/584879399.db2.gz XITKNMYMCXFWBM-IUCAKERBSA-N 3 1 221.295 0.640 20 0 BCADMP N[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407602 584879400 /nfs/dbraw/zinc/87/94/00/584879400.db2.gz XITKNMYMCXFWBM-IUCAKERBSA-N 2 1 221.295 0.640 20 0 BCADMP N[C@@H](CC(F)F)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407602 584879401 /nfs/dbraw/zinc/87/94/01/584879401.db2.gz XITKNMYMCXFWBM-IUCAKERBSA-N 2 1 221.295 0.640 20 0 BCADMP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC000904411230 584879479 /nfs/dbraw/zinc/87/94/79/584879479.db2.gz KEHIRVHIURTROZ-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411310 584879532 /nfs/dbraw/zinc/87/95/32/584879532.db2.gz UKCLOKJQJZMKRN-KXUCPTDWSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411310 584879533 /nfs/dbraw/zinc/87/95/33/584879533.db2.gz UKCLOKJQJZMKRN-KXUCPTDWSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](N)CC(F)F)CC[C@H]1C[NH3+] ZINC000904411310 584879534 /nfs/dbraw/zinc/87/95/34/584879534.db2.gz UKCLOKJQJZMKRN-KXUCPTDWSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](N)CC(F)F)CC[C@H]1C[NH3+] ZINC000904411310 584879535 /nfs/dbraw/zinc/87/95/35/584879535.db2.gz UKCLOKJQJZMKRN-KXUCPTDWSA-N 2 1 235.322 0.886 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000733367598 584947432 /nfs/dbraw/zinc/94/74/32/584947432.db2.gz GEVOKCJGCJXKCJ-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[NH+]2CCCC2)C1 ZINC000820485041 585013828 /nfs/dbraw/zinc/01/38/28/585013828.db2.gz HYJJKYZXMZKXHK-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016195 /nfs/dbraw/zinc/01/61/95/585016195.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016196 /nfs/dbraw/zinc/01/61/96/585016196.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016197 /nfs/dbraw/zinc/01/61/97/585016197.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016198 /nfs/dbraw/zinc/01/61/98/585016198.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016199 /nfs/dbraw/zinc/01/61/99/585016199.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CN(C)c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000754016581 585275246 /nfs/dbraw/zinc/27/52/46/585275246.db2.gz XUYALPPWKZXEGZ-CHWSQXEVSA-N 2 1 246.358 0.799 20 0 BCADMP CN(C)c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000754016584 585275265 /nfs/dbraw/zinc/27/52/65/585275265.db2.gz XUYALPPWKZXEGZ-STQMWFEESA-N 2 1 246.358 0.799 20 0 BCADMP Cc1nc(NC[C@H](O)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000761874473 585421576 /nfs/dbraw/zinc/42/15/76/585421576.db2.gz GAGLPJIMXJTFEG-NSHDSACASA-N 2 1 238.335 0.736 20 0 BCADMP Cc1nc(NC[C@@H](O)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000761874472 585421791 /nfs/dbraw/zinc/42/17/91/585421791.db2.gz GAGLPJIMXJTFEG-LLVKDONJSA-N 2 1 238.335 0.736 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CCCNC(=O)C1 ZINC000767371660 585518164 /nfs/dbraw/zinc/51/81/64/585518164.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[C@@H](CN1CCOCC1)N1CC[N@H+](C)[C@H](C)C1 ZINC000774736584 585664689 /nfs/dbraw/zinc/66/46/89/585664689.db2.gz FYHTZPUICUUYAF-OLZOCXBDSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H](CN1CCOCC1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000774736584 585664690 /nfs/dbraw/zinc/66/46/90/585664690.db2.gz FYHTZPUICUUYAF-OLZOCXBDSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@@H]1CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000783234899 585831752 /nfs/dbraw/zinc/83/17/52/585831752.db2.gz BHCJEYYQDCXRBE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783916926 585845792 /nfs/dbraw/zinc/84/57/92/585845792.db2.gz SRBFXNOUTUJYMK-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783916926 585845793 /nfs/dbraw/zinc/84/57/93/585845793.db2.gz SRBFXNOUTUJYMK-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783916926 585845794 /nfs/dbraw/zinc/84/57/94/585845794.db2.gz SRBFXNOUTUJYMK-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC[S@](C)=O ZINC000798196921 586140080 /nfs/dbraw/zinc/14/00/80/586140080.db2.gz QYLQOGMKXGLQTR-HNNXBMFYSA-N 2 1 229.349 0.584 20 0 BCADMP C[N@H+]1CCC[C@]2(CCN(CC3OCCO3)C2)C1 ZINC000815143650 586669449 /nfs/dbraw/zinc/66/94/49/586669449.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 1 240.347 0.777 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000817933834 586843446 /nfs/dbraw/zinc/84/34/46/586843446.db2.gz URPLXMSIPHXPLP-PWSUYJOCSA-N 2 1 237.351 0.335 20 0 BCADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000817969904 586856674 /nfs/dbraw/zinc/85/66/74/586856674.db2.gz HYBPAZZQPXLWLF-UWVGGRQHSA-N 2 1 246.318 0.660 20 0 BCADMP Cc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000819952525 587005405 /nfs/dbraw/zinc/00/54/05/587005405.db2.gz BIPDKBLTGHFYAY-WDEREUQCSA-N 2 1 247.346 0.898 20 0 BCADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000820258338 587038676 /nfs/dbraw/zinc/03/86/76/587038676.db2.gz KZYIGANYWSKLTL-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165017 589084504 /nfs/dbraw/zinc/08/45/04/589084504.db2.gz MYMPVZQRVGFQOE-VXGBXAGGSA-N 2 1 249.314 0.686 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165017 589084506 /nfs/dbraw/zinc/08/45/06/589084506.db2.gz MYMPVZQRVGFQOE-VXGBXAGGSA-N 2 1 249.314 0.686 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084595 /nfs/dbraw/zinc/08/45/95/589084595.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084596 /nfs/dbraw/zinc/08/45/96/589084596.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084597 /nfs/dbraw/zinc/08/45/97/589084597.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 2 1 238.331 0.576 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823199156 587208281 /nfs/dbraw/zinc/20/82/81/587208281.db2.gz YSLHHCDEXQKOPK-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CN(C)C[C@@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000827919980 587409844 /nfs/dbraw/zinc/40/98/44/587409844.db2.gz RWNASUIBAJGPBJ-HZMBPMFUSA-N 2 1 218.366 0.248 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000830136070 587538216 /nfs/dbraw/zinc/53/82/16/587538216.db2.gz VELXOEXQUWXXNH-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000830136070 587538218 /nfs/dbraw/zinc/53/82/18/587538218.db2.gz VELXOEXQUWXXNH-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830136070 587538219 /nfs/dbraw/zinc/53/82/19/587538219.db2.gz VELXOEXQUWXXNH-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830136070 587538221 /nfs/dbraw/zinc/53/82/21/587538221.db2.gz VELXOEXQUWXXNH-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970596 587640343 /nfs/dbraw/zinc/64/03/43/587640343.db2.gz JGPQVCZQMLWKAG-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971449 587640506 /nfs/dbraw/zinc/64/05/06/587640506.db2.gz XTEBOWQVAWXULC-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970423 587640625 /nfs/dbraw/zinc/64/06/25/587640625.db2.gz HCLPMCACEOCPSV-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971254 587640708 /nfs/dbraw/zinc/64/07/08/587640708.db2.gz UNMYJNKQLHVCDK-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000834821093 587767615 /nfs/dbraw/zinc/76/76/15/587767615.db2.gz KEKYOSJZUAFAMS-UWVGGRQHSA-N 2 1 238.335 0.824 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000834821094 587767695 /nfs/dbraw/zinc/76/76/95/587767695.db2.gz KEKYOSJZUAFAMS-VHSXEESVSA-N 2 1 238.335 0.824 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007559 587934734 /nfs/dbraw/zinc/93/47/34/587934734.db2.gz YWTWXHOFVCYQSZ-VXGBXAGGSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)N(C)C[C@H]2C)CC[NH2+]1 ZINC000841020308 587935573 /nfs/dbraw/zinc/93/55/73/587935573.db2.gz WDZPAPZGWGMHDZ-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C[N@@H+](CCN)CCO)C(C)(C)C ZINC000841058896 587940794 /nfs/dbraw/zinc/94/07/94/587940794.db2.gz ILYXHZNPXMNWPR-SNVBAGLBSA-N 2 1 202.342 0.922 20 0 BCADMP C[C@H](C[N@H+](CC[NH3+])CCO)C(C)(C)C ZINC000841058896 587940795 /nfs/dbraw/zinc/94/07/95/587940795.db2.gz ILYXHZNPXMNWPR-SNVBAGLBSA-N 2 1 202.342 0.922 20 0 BCADMP C[C@H](C[N@@H+](CC[NH3+])CCO)C(C)(C)C ZINC000841058896 587940796 /nfs/dbraw/zinc/94/07/96/587940796.db2.gz ILYXHZNPXMNWPR-SNVBAGLBSA-N 2 1 202.342 0.922 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N(C)CC[NH3+] ZINC000842511498 588032066 /nfs/dbraw/zinc/03/20/66/588032066.db2.gz YFPXNYWVHQGUPV-UHFFFAOYSA-N 2 1 229.368 0.916 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000843058933 588077984 /nfs/dbraw/zinc/07/79/84/588077984.db2.gz CKOUQXDLYNIWPI-JTQLQIEISA-N 2 1 228.336 0.809 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000843058933 588077986 /nfs/dbraw/zinc/07/79/86/588077986.db2.gz CKOUQXDLYNIWPI-JTQLQIEISA-N 2 1 228.336 0.809 20 0 BCADMP O=C1OCC[C@@]12CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000843119595 588083285 /nfs/dbraw/zinc/08/32/85/588083285.db2.gz UWSGQSKIAFNHTC-ZDUSSCGKSA-N 2 1 238.331 0.768 20 0 BCADMP CCS(=O)(=O)CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000843126660 588084161 /nfs/dbraw/zinc/08/41/61/588084161.db2.gz SIAYEWRNFFLEFP-SNVBAGLBSA-N 2 1 234.365 0.010 20 0 BCADMP CN(Cc1ncc(C[NH+](C)C)s1)C1C[NH2+]C1 ZINC000843126614 588084399 /nfs/dbraw/zinc/08/43/99/588084399.db2.gz LUAOOLFCVHRURG-UHFFFAOYSA-N 2 1 240.376 0.608 20 0 BCADMP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000843358820 588103995 /nfs/dbraw/zinc/10/39/95/588103995.db2.gz SABZZWQACLWSMB-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000843358820 588103996 /nfs/dbraw/zinc/10/39/96/588103996.db2.gz SABZZWQACLWSMB-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000843386747 588105311 /nfs/dbraw/zinc/10/53/11/588105311.db2.gz CHYUNGLZHDUDDG-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP [NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C(F)F)C1CC1 ZINC000843479729 588114139 /nfs/dbraw/zinc/11/41/39/588114139.db2.gz ALJBKVSXKGCGKT-DTWKUNHWSA-N 2 1 247.289 0.179 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000844185033 588170605 /nfs/dbraw/zinc/17/06/05/588170605.db2.gz DJCBSQKFFDXYRB-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000844171893 588171980 /nfs/dbraw/zinc/17/19/80/588171980.db2.gz NZKAGLHUEIZYBR-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000844171891 588172439 /nfs/dbraw/zinc/17/24/39/588172439.db2.gz NZKAGLHUEIZYBR-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)C[NH3+] ZINC000844174643 588172489 /nfs/dbraw/zinc/17/24/89/588172489.db2.gz POUFKTCCISYKBL-UHFFFAOYSA-N 2 1 210.281 0.081 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH3+] ZINC000844200759 588173200 /nfs/dbraw/zinc/17/32/00/588173200.db2.gz FJKVJBMKJSPKPD-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846221500 588261105 /nfs/dbraw/zinc/26/11/05/588261105.db2.gz ZGMBGKNHLYDARF-TZMCWYRMSA-N 2 1 249.358 0.841 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000846222217 588261773 /nfs/dbraw/zinc/26/17/73/588261773.db2.gz BCSGOIBSCCPWAP-LBPRGKRZSA-N 3 1 229.368 0.555 20 0 BCADMP NC[C@H]1C[N@H+](CCCCCC[NH3+])CCCO1 ZINC000846222217 588261774 /nfs/dbraw/zinc/26/17/74/588261774.db2.gz BCSGOIBSCCPWAP-LBPRGKRZSA-N 2 1 229.368 0.555 20 0 BCADMP NC[C@H]1C[N@@H+](CCCCCC[NH3+])CCCO1 ZINC000846222217 588261775 /nfs/dbraw/zinc/26/17/75/588261775.db2.gz BCSGOIBSCCPWAP-LBPRGKRZSA-N 2 1 229.368 0.555 20 0 BCADMP [NH3+]CCCCCCN1CCCO[C@@H](C[NH3+])C1 ZINC000846222217 588261776 /nfs/dbraw/zinc/26/17/76/588261776.db2.gz BCSGOIBSCCPWAP-LBPRGKRZSA-N 2 1 229.368 0.555 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000846855320 588293385 /nfs/dbraw/zinc/29/33/85/588293385.db2.gz UQUGDBTVNRNNLC-NEPJUHHUSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000848460382 588386025 /nfs/dbraw/zinc/38/60/25/588386025.db2.gz JWGQPBHONBOGJD-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996412 588429212 /nfs/dbraw/zinc/42/92/12/588429212.db2.gz RQFXALJIGZOCJL-NSHDSACASA-N 2 1 242.367 0.477 20 0 BCADMP C[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+](C)C ZINC000848996735 588429563 /nfs/dbraw/zinc/42/95/63/588429563.db2.gz VQVMEPUHBLNUGJ-VIFPVBQESA-N 2 1 212.341 0.851 20 0 BCADMP CN(C)C(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000849000019 588430178 /nfs/dbraw/zinc/43/01/78/588430178.db2.gz GGTYXSWQJGDMJT-UHFFFAOYSA-N 2 1 241.383 0.100 20 0 BCADMP CN(C)C(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000849000019 588430180 /nfs/dbraw/zinc/43/01/80/588430180.db2.gz GGTYXSWQJGDMJT-UHFFFAOYSA-N 2 1 241.383 0.100 20 0 BCADMP CN(C)C(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000849000019 588430182 /nfs/dbraw/zinc/43/01/82/588430182.db2.gz GGTYXSWQJGDMJT-UHFFFAOYSA-N 2 1 241.383 0.100 20 0 BCADMP [NH2+]=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC000849000279 588430475 /nfs/dbraw/zinc/43/04/75/588430475.db2.gz OVUYXZNHPFQZQK-MNOVXSKESA-N 2 1 238.335 0.080 20 0 BCADMP CCCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849007911 588433568 /nfs/dbraw/zinc/43/35/68/588433568.db2.gz CKMRSRMBLTXUEF-NSHDSACASA-N 2 1 241.383 0.146 20 0 BCADMP CCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849007910 588433645 /nfs/dbraw/zinc/43/36/45/588433645.db2.gz CKMRSRMBLTXUEF-LLVKDONJSA-N 2 1 241.383 0.146 20 0 BCADMP CN1CC[NH+]=C1N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020418 588438489 /nfs/dbraw/zinc/43/84/89/588438489.db2.gz IPOBVOYVCSESCF-VIFPVBQESA-N 2 1 219.292 0.089 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038903 588446854 /nfs/dbraw/zinc/44/68/54/588446854.db2.gz XGIWTTDMSBQCST-SNVBAGLBSA-N 2 1 242.367 0.356 20 0 BCADMP CNC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849275897 588468402 /nfs/dbraw/zinc/46/84/02/588468402.db2.gz YTGUSNOSYOUMHT-JTQLQIEISA-N 2 1 246.424 0.352 20 0 BCADMP CNC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849275897 588468404 /nfs/dbraw/zinc/46/84/04/588468404.db2.gz YTGUSNOSYOUMHT-JTQLQIEISA-N 2 1 246.424 0.352 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)N1 ZINC000849349747 588474271 /nfs/dbraw/zinc/47/42/71/588474271.db2.gz GOSCGJJYMUDMMU-LLVKDONJSA-N 2 1 249.358 0.856 20 0 BCADMP C[C@@H](CN)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000849350713 588474825 /nfs/dbraw/zinc/47/48/25/588474825.db2.gz SKAIMWHPFOPFCY-JTQLQIEISA-N 2 1 219.332 0.769 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000110117064 588612160 /nfs/dbraw/zinc/61/21/60/588612160.db2.gz DJQGCSFGWGADQQ-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851656600 588613151 /nfs/dbraw/zinc/61/31/51/588613151.db2.gz MNXKPLJMVFOJRD-NSHDSACASA-N 2 1 244.383 0.624 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000851663608 588613757 /nfs/dbraw/zinc/61/37/57/588613757.db2.gz FBJMMYIZWQMCQP-VHSXEESVSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663320 588613804 /nfs/dbraw/zinc/61/38/04/588613804.db2.gz APCMFEGNZWIHBA-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP FC(F)OCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000851732221 588619659 /nfs/dbraw/zinc/61/96/59/588619659.db2.gz LYPQHHQYCWNMCY-HTQZYQBOSA-N 2 1 206.236 0.377 20 0 BCADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CNC(=O)C1 ZINC000852149511 588667550 /nfs/dbraw/zinc/66/75/50/588667550.db2.gz RJLRZANTVYUQHK-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743785 588699064 /nfs/dbraw/zinc/69/90/64/588699064.db2.gz KETUPGYWFIWPCB-NEPJUHHUSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]C[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743785 588699065 /nfs/dbraw/zinc/69/90/65/588699065.db2.gz KETUPGYWFIWPCB-NEPJUHHUSA-N 2 1 239.363 0.178 20 0 BCADMP C[N@H+](CCOC(F)F)[C@H](CN)C1CC1 ZINC000852750094 588700109 /nfs/dbraw/zinc/70/01/09/588700109.db2.gz WCNBNZPDLQCNKU-MRVPVSSYSA-N 2 1 208.252 0.895 20 0 BCADMP C[N@@H+](CCOC(F)F)[C@H](CN)C1CC1 ZINC000852750094 588700110 /nfs/dbraw/zinc/70/01/10/588700110.db2.gz WCNBNZPDLQCNKU-MRVPVSSYSA-N 2 1 208.252 0.895 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000852836725 588707177 /nfs/dbraw/zinc/70/71/77/588707177.db2.gz HZZBLXGDLNCZQY-QMMMGPOBSA-N 2 1 222.292 0.509 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861571953 589168511 /nfs/dbraw/zinc/16/85/11/589168511.db2.gz KEQFONQQZGUREE-MNOVXSKESA-N 2 1 244.383 0.705 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000861591900 589169230 /nfs/dbraw/zinc/16/92/30/589169230.db2.gz BYIHQLLKWXGAEH-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@H+]1C ZINC000863214914 589271727 /nfs/dbraw/zinc/27/17/27/589271727.db2.gz JIFMAQMNKSLWTE-SNVBAGLBSA-N 2 1 244.408 0.106 20 0 BCADMP Nc1ncccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000863539655 589296482 /nfs/dbraw/zinc/29/64/82/589296482.db2.gz HHPUFNPUZZRBNU-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP Nc1ncccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000863539655 589296484 /nfs/dbraw/zinc/29/64/84/589296484.db2.gz HHPUFNPUZZRBNU-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP CCn1ncc(C[NH2+][C@H](CCC[NH3+])COC)n1 ZINC000863540311 589296692 /nfs/dbraw/zinc/29/66/92/589296692.db2.gz SNSAMJHPDDEPMC-SNVBAGLBSA-N 2 1 241.339 0.142 20 0 BCADMP NC(=O)C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000863565081 589299385 /nfs/dbraw/zinc/29/93/85/589299385.db2.gz ZGLRZGGOCQTHBZ-LLVKDONJSA-N 2 1 243.351 0.082 20 0 BCADMP C[N@@H+](CC(=O)N[C@@H]1CCn2ccnc21)C1CCC1 ZINC000863920683 589326327 /nfs/dbraw/zinc/32/63/27/589326327.db2.gz VNIPLMVPROIUJH-LLVKDONJSA-N 2 1 248.330 0.928 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc(N)cn2)C1 ZINC000864055613 589335766 /nfs/dbraw/zinc/33/57/66/589335766.db2.gz UDDHYYGHRTVGBT-JTQLQIEISA-N 2 1 249.362 0.927 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864455941 589366786 /nfs/dbraw/zinc/36/67/86/589366786.db2.gz AYBAKMURVDBRQM-ZJUUUORDSA-N 2 1 212.341 0.849 20 0 BCADMP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000864457384 589367568 /nfs/dbraw/zinc/36/75/68/589367568.db2.gz SCPURTPGBXFWBD-FXPVBKGRSA-N 2 1 224.352 0.991 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000864458211 589367731 /nfs/dbraw/zinc/36/77/31/589367731.db2.gz YOCYYUYJRBRLNU-WCBMZHEXSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000864458211 589367733 /nfs/dbraw/zinc/36/77/33/589367733.db2.gz YOCYYUYJRBRLNU-WCBMZHEXSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000864468154 589372293 /nfs/dbraw/zinc/37/22/93/589372293.db2.gz BNJZYZGNRHKKEL-IUCAKERBSA-N 2 1 210.325 0.603 20 0 BCADMP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C ZINC000866685831 589511772 /nfs/dbraw/zinc/51/17/72/589511772.db2.gz ZOJOUCVBERPYBQ-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000866685831 589511774 /nfs/dbraw/zinc/51/17/74/589511774.db2.gz ZOJOUCVBERPYBQ-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866703654 589513186 /nfs/dbraw/zinc/51/31/86/589513186.db2.gz NNHFCYQDWODYMG-GHMZBOCLSA-N 2 1 212.337 0.689 20 0 BCADMP CCNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709009 589514373 /nfs/dbraw/zinc/51/43/73/589514373.db2.gz UMCPSWLPQYMEHB-CYBMUJFWSA-N 2 1 241.379 0.819 20 0 BCADMP CCNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709009 589514374 /nfs/dbraw/zinc/51/43/74/589514374.db2.gz UMCPSWLPQYMEHB-CYBMUJFWSA-N 2 1 241.379 0.819 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705960 589514460 /nfs/dbraw/zinc/51/44/60/589514460.db2.gz DCJLRJITVTYOOR-GWCFXTLKSA-N 2 1 241.379 0.947 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000866706288 589514760 /nfs/dbraw/zinc/51/47/60/589514760.db2.gz HEASAFPCIXDBRH-GWCFXTLKSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC[NH3+] ZINC000867999223 589543099 /nfs/dbraw/zinc/54/30/99/589543099.db2.gz VYJNDRPDUGHWNK-LBPRGKRZSA-N 2 1 233.315 0.638 20 0 BCADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC[NH3+] ZINC000867999223 589543100 /nfs/dbraw/zinc/54/31/00/589543100.db2.gz VYJNDRPDUGHWNK-LBPRGKRZSA-N 2 1 233.315 0.638 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000870892832 589695155 /nfs/dbraw/zinc/69/51/55/589695155.db2.gz NDMSVVJZWIYGER-OUAUKWLOSA-N 2 1 227.352 0.665 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000870978711 589704561 /nfs/dbraw/zinc/70/45/61/589704561.db2.gz AECIOFQVQMBTIB-ZDUSSCGKSA-N 2 1 247.342 0.899 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000870978711 589704563 /nfs/dbraw/zinc/70/45/63/589704563.db2.gz AECIOFQVQMBTIB-ZDUSSCGKSA-N 2 1 247.342 0.899 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983785 589705043 /nfs/dbraw/zinc/70/50/43/589705043.db2.gz YFASWWKFKCNEDL-VWYCJHECSA-N 2 1 225.336 0.134 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@H]21 ZINC000870982256 589705543 /nfs/dbraw/zinc/70/55/43/589705543.db2.gz MDIJDXXCWBHZIH-CMPLNLGQSA-N 2 1 237.347 0.291 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000871603951 589770892 /nfs/dbraw/zinc/77/08/92/589770892.db2.gz NSKFTIWSHNUBSC-SECBINFHSA-N 2 1 216.329 0.039 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000871604127 589769891 /nfs/dbraw/zinc/76/98/91/589769891.db2.gz UQYAJLZGHXPHOL-NSHDSACASA-N 2 1 242.367 0.431 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N(C)CCOC)C1CC1 ZINC000871603810 589770325 /nfs/dbraw/zinc/77/03/25/589770325.db2.gz ISLNAYYZRRIJKT-UHFFFAOYSA-N 2 1 242.367 0.573 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000871604087 589774090 /nfs/dbraw/zinc/77/40/90/589774090.db2.gz SKYYTACBJLCSRI-SNVBAGLBSA-N 2 1 242.367 0.572 20 0 BCADMP COCCN(C)C(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000871603504 589774167 /nfs/dbraw/zinc/77/41/67/589774167.db2.gz WFICRWVLPGQDRI-UHFFFAOYSA-N 2 1 244.383 0.819 20 0 BCADMP C[NH2+]Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792350 589820098 /nfs/dbraw/zinc/82/00/98/589820098.db2.gz WUUDWOPZBJNMMW-CBLAIPOGSA-N 2 1 222.292 0.787 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC1(C)C ZINC000872140510 589881577 /nfs/dbraw/zinc/88/15/77/589881577.db2.gz PRGHQCSHBOEXLG-IJLUTSLNSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872145724 589884451 /nfs/dbraw/zinc/88/44/51/589884451.db2.gz WJBIQNQVVXDKQS-GFCCVEGCSA-N 2 1 242.363 0.853 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CNCCO1 ZINC000872156168 589886451 /nfs/dbraw/zinc/88/64/51/589886451.db2.gz FPLDHPKENAVWTH-LBPRGKRZSA-N 2 1 229.368 0.426 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296951 589907303 /nfs/dbraw/zinc/90/73/03/589907303.db2.gz CLIXZDZFJSRAMQ-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000124301430 589974049 /nfs/dbraw/zinc/97/40/49/589974049.db2.gz FTCNGBDPNBNHGB-LLVKDONJSA-N 2 1 228.336 0.633 20 0 BCADMP Nc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000873201556 589993383 /nfs/dbraw/zinc/99/33/83/589993383.db2.gz LJVUJLKDHMEYQP-DLOVCJGASA-N 2 1 247.346 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000873201556 589993384 /nfs/dbraw/zinc/99/33/84/589993384.db2.gz LJVUJLKDHMEYQP-DLOVCJGASA-N 2 1 247.346 0.618 20 0 BCADMP C[C@H]([NH2+]Cc1cnc(N)cn1)[C@@H]1CCC[NH2+]C1 ZINC000873210894 589995341 /nfs/dbraw/zinc/99/53/41/589995341.db2.gz RVVFZXJWEZFOMW-VHSXEESVSA-N 2 1 235.335 0.537 20 0 BCADMP Nc1cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000873211096 589995686 /nfs/dbraw/zinc/99/56/86/589995686.db2.gz VCXHPSUWMUHJDD-LLVKDONJSA-N 2 1 235.335 0.762 20 0 BCADMP Nc1cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000873211096 589995689 /nfs/dbraw/zinc/99/56/89/589995689.db2.gz VCXHPSUWMUHJDD-LLVKDONJSA-N 2 1 235.335 0.762 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000873221444 589999554 /nfs/dbraw/zinc/99/95/54/589999554.db2.gz KLVCQGFTZXUIDT-WDEREUQCSA-N 2 1 211.353 0.750 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221059 589999776 /nfs/dbraw/zinc/99/97/76/589999776.db2.gz ZBXONSPDTFZLHR-CMPLNLGQSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221019 590000020 /nfs/dbraw/zinc/00/00/20/590000020.db2.gz XEWXGMHXMPNWDI-LOWVWBTDSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228997 590000869 /nfs/dbraw/zinc/00/08/69/590000869.db2.gz NAIURGVKBYRUCZ-YIYPIFLZSA-N 3 1 237.391 0.916 20 0 BCADMP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873255970 590010912 /nfs/dbraw/zinc/01/09/12/590010912.db2.gz KGLJNMWLYHXWJE-FDYHWXHSSA-N 3 1 223.364 0.940 20 0 BCADMP CCN1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257480 590012601 /nfs/dbraw/zinc/01/26/01/590012601.db2.gz IFLAKONLZXWHAJ-XYPYZODXSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873271147 590016311 /nfs/dbraw/zinc/01/63/11/590016311.db2.gz FFKIDKBPSUTFHG-DLOVCJGASA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c[nH+]ccc1N ZINC000873296540 590024803 /nfs/dbraw/zinc/02/48/03/590024803.db2.gz HZECXVJBJATMED-GUBZILKMSA-N 2 1 221.304 0.916 20 0 BCADMP CC(C)C(=O)NCC[NH2+]C1CC[NH+](C)CC1 ZINC000020125135 590076847 /nfs/dbraw/zinc/07/68/47/590076847.db2.gz YLXRPCGNAQUWLX-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874125470 590093168 /nfs/dbraw/zinc/09/31/68/590093168.db2.gz XUUGVTJMWBQIJC-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822160 590141188 /nfs/dbraw/zinc/14/11/88/590141188.db2.gz GKIBRNVPZUCDEM-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[NH+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876790177 590241642 /nfs/dbraw/zinc/24/16/42/590241642.db2.gz VKOBMQCPMSFOQB-RXNFCKPNSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000876792548 590241918 /nfs/dbraw/zinc/24/19/18/590241918.db2.gz QRLJJYPANMGIFB-UHFFFAOYSA-N 2 1 229.368 0.642 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000876851816 590249287 /nfs/dbraw/zinc/24/92/87/590249287.db2.gz OVBBHNTVZBRDKO-IUCAKERBSA-N 2 1 245.273 0.099 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876851197 590249608 /nfs/dbraw/zinc/24/96/08/590249608.db2.gz DLOJTLTWFULAOT-SFYZADRCSA-N 2 1 235.278 0.050 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876871774 590251827 /nfs/dbraw/zinc/25/18/27/590251827.db2.gz WTWHWVAYGDBJSR-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000876884592 590253457 /nfs/dbraw/zinc/25/34/57/590253457.db2.gz FCQCXFAUAWRFCG-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH3+] ZINC000876937823 590258862 /nfs/dbraw/zinc/25/88/62/590258862.db2.gz DXGURAIMLXJWLJ-UHFFFAOYSA-N 2 1 238.335 0.827 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103922 590284014 /nfs/dbraw/zinc/28/40/14/590284014.db2.gz WUNAYMQSOVPWBY-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000877108738 590286525 /nfs/dbraw/zinc/28/65/25/590286525.db2.gz WGPSVCHVPPFBJD-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)C ZINC000877241208 590302128 /nfs/dbraw/zinc/30/21/28/590302128.db2.gz NAROLZDEMLJIKS-PHIMTYICSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242921 590302850 /nfs/dbraw/zinc/30/28/50/590302850.db2.gz AFJNGUSWPPFWCB-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000877250326 590303591 /nfs/dbraw/zinc/30/35/91/590303591.db2.gz PEGXUAWKFUXPFX-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877385863 590320716 /nfs/dbraw/zinc/32/07/16/590320716.db2.gz NSHGKOLZQFCHQN-WCQYABFASA-N 2 1 248.330 0.592 20 0 BCADMP CN(CCCCCC[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000877438037 590327835 /nfs/dbraw/zinc/32/78/35/590327835.db2.gz HMVOCRQBRXSQEX-JTQLQIEISA-N 2 1 245.392 0.626 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000127136157 590574534 /nfs/dbraw/zinc/57/45/34/590574534.db2.gz VYODKBSPIUVPNU-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+](CCn2cnnn2)CC1 ZINC000878513067 590583741 /nfs/dbraw/zinc/58/37/41/590583741.db2.gz UHECVCYYIPKQGZ-LLVKDONJSA-N 2 1 238.339 0.089 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2cnnn2)CC1 ZINC000878513067 590583744 /nfs/dbraw/zinc/58/37/44/590583744.db2.gz UHECVCYYIPKQGZ-LLVKDONJSA-N 2 1 238.339 0.089 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805600 /nfs/dbraw/zinc/80/56/00/590805600.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569374 590806925 /nfs/dbraw/zinc/80/69/25/590806925.db2.gz OCFUKNDQTHTECY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569374 590806930 /nfs/dbraw/zinc/80/69/30/590806930.db2.gz OCFUKNDQTHTECY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569374 590806932 /nfs/dbraw/zinc/80/69/32/590806932.db2.gz OCFUKNDQTHTECY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569374 590806936 /nfs/dbraw/zinc/80/69/36/590806936.db2.gz OCFUKNDQTHTECY-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569868 590807215 /nfs/dbraw/zinc/80/72/15/590807215.db2.gz VCXWJXNLASMNRI-GHMZBOCLSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569868 590807216 /nfs/dbraw/zinc/80/72/16/590807216.db2.gz VCXWJXNLASMNRI-GHMZBOCLSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569868 590807217 /nfs/dbraw/zinc/80/72/17/590807217.db2.gz VCXWJXNLASMNRI-GHMZBOCLSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569868 590807219 /nfs/dbraw/zinc/80/72/19/590807219.db2.gz VCXWJXNLASMNRI-GHMZBOCLSA-N 2 1 226.320 0.576 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573767 590808567 /nfs/dbraw/zinc/80/85/67/590808567.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573767 590808571 /nfs/dbraw/zinc/80/85/71/590808571.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573767 590808575 /nfs/dbraw/zinc/80/85/75/590808575.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 2 1 212.337 0.783 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570779 590808771 /nfs/dbraw/zinc/80/87/71/590808771.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570779 590808778 /nfs/dbraw/zinc/80/87/78/590808778.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570779 590808780 /nfs/dbraw/zinc/80/87/80/590808780.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570779 590808784 /nfs/dbraw/zinc/80/87/84/590808784.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 2 1 239.363 0.539 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572285 590809254 /nfs/dbraw/zinc/80/92/54/590809254.db2.gz FYOSMPQFMAFJCV-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572285 590809256 /nfs/dbraw/zinc/80/92/56/590809256.db2.gz FYOSMPQFMAFJCV-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572285 590809259 /nfs/dbraw/zinc/80/92/59/590809259.db2.gz FYOSMPQFMAFJCV-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572285 590809264 /nfs/dbraw/zinc/80/92/64/590809264.db2.gz FYOSMPQFMAFJCV-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000879573492 590809303 /nfs/dbraw/zinc/80/93/03/590809303.db2.gz OWFCEDQIIGAETB-VXGBXAGGSA-N 2 1 228.336 0.021 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000879573492 590809306 /nfs/dbraw/zinc/80/93/06/590809306.db2.gz OWFCEDQIIGAETB-VXGBXAGGSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000879573492 590809309 /nfs/dbraw/zinc/80/93/09/590809309.db2.gz OWFCEDQIIGAETB-VXGBXAGGSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000879573492 590809313 /nfs/dbraw/zinc/80/93/13/590809313.db2.gz OWFCEDQIIGAETB-VXGBXAGGSA-N 2 1 228.336 0.021 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573656 590809417 /nfs/dbraw/zinc/80/94/17/590809417.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573656 590809421 /nfs/dbraw/zinc/80/94/21/590809421.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573656 590809426 /nfs/dbraw/zinc/80/94/26/590809426.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 2 1 228.336 0.020 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574117 590814162 /nfs/dbraw/zinc/81/41/62/590814162.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574117 590814165 /nfs/dbraw/zinc/81/41/65/590814165.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574117 590814168 /nfs/dbraw/zinc/81/41/68/590814168.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574117 590814172 /nfs/dbraw/zinc/81/41/72/590814172.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 2 1 242.363 0.410 20 0 BCADMP COC(C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879579660 590816636 /nfs/dbraw/zinc/81/66/36/590816636.db2.gz ARDCYQUECBFKDA-GHMZBOCLSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879579660 590816640 /nfs/dbraw/zinc/81/66/40/590816640.db2.gz ARDCYQUECBFKDA-GHMZBOCLSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879579660 590816642 /nfs/dbraw/zinc/81/66/42/590816642.db2.gz ARDCYQUECBFKDA-GHMZBOCLSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879579660 590816644 /nfs/dbraw/zinc/81/66/44/590816644.db2.gz ARDCYQUECBFKDA-GHMZBOCLSA-N 2 1 228.336 0.631 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579642 590817395 /nfs/dbraw/zinc/81/73/95/590817395.db2.gz AOFAHUSFNQOKLY-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579642 590817398 /nfs/dbraw/zinc/81/73/98/590817398.db2.gz AOFAHUSFNQOKLY-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579642 590817400 /nfs/dbraw/zinc/81/74/00/590817400.db2.gz AOFAHUSFNQOKLY-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579642 590817402 /nfs/dbraw/zinc/81/74/02/590817402.db2.gz AOFAHUSFNQOKLY-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580810 590820495 /nfs/dbraw/zinc/82/04/95/590820495.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580810 590820499 /nfs/dbraw/zinc/82/04/99/590820499.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580810 590820502 /nfs/dbraw/zinc/82/05/02/590820502.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821701 /nfs/dbraw/zinc/82/17/01/590821701.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821702 /nfs/dbraw/zinc/82/17/02/590821702.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821704 /nfs/dbraw/zinc/82/17/04/590821704.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 2 1 224.348 0.783 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612664 590830409 /nfs/dbraw/zinc/83/04/09/590830409.db2.gz JQHKVQUYZKUZDI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612664 590830413 /nfs/dbraw/zinc/83/04/13/590830413.db2.gz JQHKVQUYZKUZDI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612664 590830415 /nfs/dbraw/zinc/83/04/15/590830415.db2.gz JQHKVQUYZKUZDI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612664 590830418 /nfs/dbraw/zinc/83/04/18/590830418.db2.gz JQHKVQUYZKUZDI-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)C1(COC)CCC1 ZINC000880185174 590952691 /nfs/dbraw/zinc/95/26/91/590952691.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)C1(COC)CCC1 ZINC000880185174 590952696 /nfs/dbraw/zinc/95/26/96/590952696.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)C1(COC)CCC1 ZINC000880185174 590952697 /nfs/dbraw/zinc/95/26/97/590952697.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473431 591053375 /nfs/dbraw/zinc/05/33/75/591053375.db2.gz YYROCBLEWDFZLE-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C[C@H]1CO ZINC000880489960 591066044 /nfs/dbraw/zinc/06/60/44/591066044.db2.gz ZQLIYAVGDULTNY-RYUDHWBXSA-N 2 1 210.321 0.703 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C[C@H]1CO ZINC000880489960 591066047 /nfs/dbraw/zinc/06/60/47/591066047.db2.gz ZQLIYAVGDULTNY-RYUDHWBXSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C[C@H]1CO ZINC000880489960 591066050 /nfs/dbraw/zinc/06/60/50/591066050.db2.gz ZQLIYAVGDULTNY-RYUDHWBXSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C[C@H]1CO ZINC000880489960 591066053 /nfs/dbraw/zinc/06/60/53/591066053.db2.gz ZQLIYAVGDULTNY-RYUDHWBXSA-N 2 1 210.321 0.703 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1CC=C[C@H]1CO ZINC000880492268 591068126 /nfs/dbraw/zinc/06/81/26/591068126.db2.gz PKDYCLOHRSWHGW-LBPRGKRZSA-N 2 1 221.304 0.585 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1CC=C[C@H]1CO ZINC000880492268 591068130 /nfs/dbraw/zinc/06/81/30/591068130.db2.gz PKDYCLOHRSWHGW-LBPRGKRZSA-N 2 1 221.304 0.585 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC000129611507 591340436 /nfs/dbraw/zinc/34/04/36/591340436.db2.gz MFRHOGXEXLBVKN-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000882486281 591360560 /nfs/dbraw/zinc/36/05/60/591360560.db2.gz PCROKQZMKMVLCI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000882486281 591360565 /nfs/dbraw/zinc/36/05/65/591360565.db2.gz PCROKQZMKMVLCI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000882486281 591360570 /nfs/dbraw/zinc/36/05/70/591360570.db2.gz PCROKQZMKMVLCI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129790568 591404485 /nfs/dbraw/zinc/40/44/85/591404485.db2.gz KDIJGZARARVOFE-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH2+]C[C@H]1C(F)F ZINC000883428094 591660032 /nfs/dbraw/zinc/66/00/32/591660032.db2.gz LLEONNSDISDYIZ-JTQLQIEISA-N 2 1 244.289 0.502 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@@H]21 ZINC000883438803 591666781 /nfs/dbraw/zinc/66/67/81/591666781.db2.gz CQDNSCUFRZWECS-CYDGBPFRSA-N 2 1 241.354 0.712 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CF)C1 ZINC000883447533 591671319 /nfs/dbraw/zinc/67/13/19/591671319.db2.gz DZHBCSYFOHKUCR-NXEZZACHSA-N 2 1 204.289 0.248 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000883447055 591671578 /nfs/dbraw/zinc/67/15/78/591671578.db2.gz RNTZUQUGSMQYEO-WDEREUQCSA-N 2 1 218.316 0.638 20 0 BCADMP C[N@H+](CCOCC[NH3+])C1(C[NH3+])CCCCC1 ZINC000883454074 591673021 /nfs/dbraw/zinc/67/30/21/591673021.db2.gz OUIXPXPHTLPQHS-UHFFFAOYSA-N 2 1 229.368 0.555 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C1(C[NH3+])CCCCC1 ZINC000883454074 591673023 /nfs/dbraw/zinc/67/30/23/591673023.db2.gz OUIXPXPHTLPQHS-UHFFFAOYSA-N 3 1 229.368 0.555 20 0 BCADMP C[N@H+](CCOCC[NH3+])C1(CN)CCCCC1 ZINC000883454074 591673024 /nfs/dbraw/zinc/67/30/24/591673024.db2.gz OUIXPXPHTLPQHS-UHFFFAOYSA-N 2 1 229.368 0.555 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C1(CN)CCCCC1 ZINC000883454074 591673025 /nfs/dbraw/zinc/67/30/25/591673025.db2.gz OUIXPXPHTLPQHS-UHFFFAOYSA-N 2 1 229.368 0.555 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000883462391 591673543 /nfs/dbraw/zinc/67/35/43/591673543.db2.gz PYOJORLLDNQZKJ-SDDRHHMPSA-N 2 1 237.347 0.196 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000883462391 591673546 /nfs/dbraw/zinc/67/35/46/591673546.db2.gz PYOJORLLDNQZKJ-SDDRHHMPSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132500223 591715160 /nfs/dbraw/zinc/71/51/60/591715160.db2.gz TWRJGHHRVKSJLW-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132500223 591715161 /nfs/dbraw/zinc/71/51/61/591715161.db2.gz TWRJGHHRVKSJLW-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889433 591746818 /nfs/dbraw/zinc/74/68/18/591746818.db2.gz ILURUOMDZPQLPV-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCOC ZINC000884207364 591873770 /nfs/dbraw/zinc/87/37/70/591873770.db2.gz UHBOJMKXXVACTM-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000884289938 591894806 /nfs/dbraw/zinc/89/48/06/591894806.db2.gz NLRPMRSKAADEFN-IUCAKERBSA-N 2 1 247.289 0.179 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357416 591911847 /nfs/dbraw/zinc/91/18/47/591911847.db2.gz XTFOVFRROTZUBN-VWYCJHECSA-N 2 1 239.363 0.713 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364112 591916683 /nfs/dbraw/zinc/91/66/83/591916683.db2.gz NLFGDYJWWBROPC-ZJUUUORDSA-N 2 1 236.319 0.434 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ncoc1C[NH3+] ZINC000884434813 591933551 /nfs/dbraw/zinc/93/35/51/591933551.db2.gz YJVSPJCICWQQJY-JGVFFNPUSA-N 2 1 238.291 0.004 20 0 BCADMP Cc1[nH+]ccc(NCC[N@@H+](C)CCO)c1Cl ZINC000884825174 592023398 /nfs/dbraw/zinc/02/33/98/592023398.db2.gz JJCMNNMDJANBGO-UHFFFAOYSA-N 2 1 243.738 0.801 20 0 BCADMP C[C@](O)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000885960687 592115422 /nfs/dbraw/zinc/11/54/22/592115422.db2.gz OXMTVZRJNSMRCE-NRPADANISA-N 2 1 220.263 0.154 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828197 592350557 /nfs/dbraw/zinc/35/05/57/592350557.db2.gz ZABDFWCUDOHTHV-YNEHKIRRSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827093 592352006 /nfs/dbraw/zinc/35/20/06/592352006.db2.gz DHEIRAQVDPDUJX-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827093 592352009 /nfs/dbraw/zinc/35/20/09/592352009.db2.gz DHEIRAQVDPDUJX-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)CCO1 ZINC000886833013 592356752 /nfs/dbraw/zinc/35/67/52/592356752.db2.gz ROWPBXLFJOOWHA-IJLUTSLNSA-N 2 1 226.320 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)CCO1 ZINC000886833013 592356757 /nfs/dbraw/zinc/35/67/57/592356757.db2.gz ROWPBXLFJOOWHA-IJLUTSLNSA-N 2 1 226.320 0.073 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@@]12CCOC2 ZINC000886841645 592362015 /nfs/dbraw/zinc/36/20/15/592362015.db2.gz RINCTWYZKIOFHE-VXGBXAGGSA-N 2 1 228.336 0.320 20 0 BCADMP CCN(CCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000886846477 592363162 /nfs/dbraw/zinc/36/31/62/592363162.db2.gz BGAYEUXVLNFUJO-GFCCVEGCSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875718 592364629 /nfs/dbraw/zinc/36/46/29/592364629.db2.gz IUXYTMNLPSZOGO-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857940 592370167 /nfs/dbraw/zinc/37/01/67/592370167.db2.gz GLKDOPZHSGGVKC-OUAUKWLOSA-N 2 1 230.377 0.252 20 0 BCADMP C([C@H]1CNCCO1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859957 592372728 /nfs/dbraw/zinc/37/27/28/592372728.db2.gz LURNNICIPLGZPZ-XQQFMLRXSA-N 2 1 240.347 0.476 20 0 BCADMP C([C@@H]1CNCCO1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859954 592372748 /nfs/dbraw/zinc/37/27/48/592372748.db2.gz LURNNICIPLGZPZ-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871938 592377597 /nfs/dbraw/zinc/37/75/97/592377597.db2.gz FUNUOXHWLKJRMH-GFCCVEGCSA-N 3 1 211.353 0.801 20 0 BCADMP [NH3+]CCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871938 592377604 /nfs/dbraw/zinc/37/76/04/592377604.db2.gz FUNUOXHWLKJRMH-GFCCVEGCSA-N 2 1 211.353 0.801 20 0 BCADMP CNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872528 592378311 /nfs/dbraw/zinc/37/83/11/592378311.db2.gz UWYACAQOUBZTKC-LBPRGKRZSA-N 2 1 225.336 0.198 20 0 BCADMP CNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872528 592378316 /nfs/dbraw/zinc/37/83/16/592378316.db2.gz UWYACAQOUBZTKC-LBPRGKRZSA-N 2 1 225.336 0.198 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886881130 592378826 /nfs/dbraw/zinc/37/88/26/592378826.db2.gz RFUKDSNABFUXHK-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886881130 592378829 /nfs/dbraw/zinc/37/88/29/592378829.db2.gz RFUKDSNABFUXHK-TUAOUCFPSA-N 2 1 210.321 0.836 20 0 BCADMP C[N@H+](CCCF)CCC(=O)N1CC[NH+](C)CC1 ZINC000887141490 592457450 /nfs/dbraw/zinc/45/74/50/592457450.db2.gz WMAHBFPBAOSZSP-UHFFFAOYSA-N 2 1 245.342 0.442 20 0 BCADMP C[N@@H+](CCCF)CCC(=O)N1CC[NH+](C)CC1 ZINC000887141490 592457451 /nfs/dbraw/zinc/45/74/51/592457451.db2.gz WMAHBFPBAOSZSP-UHFFFAOYSA-N 2 1 245.342 0.442 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CC1 ZINC000222238900 592472401 /nfs/dbraw/zinc/47/24/01/592472401.db2.gz BVNZEGQNRIKUHO-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP C[C@@H](CNC(=[NH2+])NCC(F)F)[N@@H+](C)C1CC1 ZINC000887352502 592486461 /nfs/dbraw/zinc/48/64/61/592486461.db2.gz CDOOFLOXTLKNGE-ZETCQYMHSA-N 2 1 234.294 0.848 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354208 592487297 /nfs/dbraw/zinc/48/72/97/592487297.db2.gz UHERWONSQYXOSS-MRVPVSSYSA-N 2 1 234.294 0.707 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354303 592487348 /nfs/dbraw/zinc/48/73/48/592487348.db2.gz YNIXAYIJMUMQLV-JTQLQIEISA-N 2 1 224.352 0.852 20 0 BCADMP [NH2+]=C(NCC[NH+]1CCC1)NCC(F)F ZINC000887356569 592488641 /nfs/dbraw/zinc/48/86/41/592488641.db2.gz IFHIFBMRHLVGAQ-UHFFFAOYSA-N 2 1 206.240 0.071 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887361864 592491348 /nfs/dbraw/zinc/49/13/48/592491348.db2.gz MGMAAJZBTUXNPQ-UHFFFAOYSA-N 2 1 220.267 0.460 20 0 BCADMP CC1CC[NH+](Cc2cn(CC3C[NH2+]C3)nn2)CC1 ZINC000887423305 592504234 /nfs/dbraw/zinc/50/42/34/592504234.db2.gz RDROLAFMJVRNFB-UHFFFAOYSA-N 2 1 249.362 0.729 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000302638477 592550394 /nfs/dbraw/zinc/55/03/94/592550394.db2.gz FLNVOMMOJCAIAP-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703039 634379627 /nfs/dbraw/zinc/37/96/27/634379627.db2.gz SDHNZVGUKXKRAB-GHMZBOCLSA-N 3 1 211.353 0.846 20 0 BCADMP N[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C12CCC2 ZINC000925705139 634386023 /nfs/dbraw/zinc/38/60/23/634386023.db2.gz HXYQTJKSBFDRNE-RHYQMDGZSA-N 2 1 223.364 0.973 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925705901 634389084 /nfs/dbraw/zinc/38/90/84/634389084.db2.gz IYOVYNWXPFQPBN-SDDRHHMPSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000925705901 634389091 /nfs/dbraw/zinc/38/90/91/634389091.db2.gz IYOVYNWXPFQPBN-SDDRHHMPSA-N 2 1 223.364 0.859 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709730 634408087 /nfs/dbraw/zinc/40/80/87/634408087.db2.gz QCZXZNQTYCGKIS-UTUOFQBUSA-N 2 1 235.375 0.988 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925712443 634414228 /nfs/dbraw/zinc/41/42/28/634414228.db2.gz UWXSDFYYKBRDNS-MNOVXSKESA-N 3 1 223.364 0.859 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740637 634487852 /nfs/dbraw/zinc/48/78/52/634487852.db2.gz YUWMSCPESTURFD-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740637 634487858 /nfs/dbraw/zinc/48/78/58/634487858.db2.gz YUWMSCPESTURFD-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257794755 634500095 /nfs/dbraw/zinc/50/00/95/634500095.db2.gz RZUGAEHVYSOUQJ-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP NC(=O)C1CC([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925727498 634525914 /nfs/dbraw/zinc/52/59/14/634525914.db2.gz GIJFQRDGHMGUKI-VQXHTEKXSA-N 2 1 237.347 0.515 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253189707 634526637 /nfs/dbraw/zinc/52/66/37/634526637.db2.gz KMKGOMRYYQFERW-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253189707 634526641 /nfs/dbraw/zinc/52/66/41/634526641.db2.gz KMKGOMRYYQFERW-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]C1CC(CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925729419 634539455 /nfs/dbraw/zinc/53/94/55/634539455.db2.gz JLFURXDROLOGPZ-MCIGGMRASA-N 2 1 223.364 0.988 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000125573289 634564467 /nfs/dbraw/zinc/56/44/67/634564467.db2.gz VLUJXRLSLOJNRN-GFCCVEGCSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925786002 635301584 /nfs/dbraw/zinc/30/15/84/635301584.db2.gz MWINXCOFMZOOAK-NDBYEHHHSA-N 3 1 241.379 0.199 20 0 BCADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260585622 635352136 /nfs/dbraw/zinc/35/21/36/635352136.db2.gz QKLFSJHXZUDKEM-JTQLQIEISA-N 2 1 228.336 0.999 20 0 BCADMP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000234303259 635551457 /nfs/dbraw/zinc/55/14/57/635551457.db2.gz VLQMYTAMUGUPPC-WCQYABFASA-N 2 1 223.364 0.907 20 0 BCADMP C[C@@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000925877610 635601131 /nfs/dbraw/zinc/60/11/31/635601131.db2.gz KIPBNLKTOOGRBF-YPMHNXCESA-N 2 1 242.363 0.912 20 0 BCADMP Cn1nccc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926174504 631376638 /nfs/dbraw/zinc/37/66/38/631376638.db2.gz SCNNDYUDWUMEPM-ONXXMXGDSA-N 2 1 248.374 0.892 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000308574670 631434678 /nfs/dbraw/zinc/43/46/78/631434678.db2.gz DAHKIYFOZSRIOJ-ZJUUUORDSA-N 2 1 200.326 0.830 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736827 631499363 /nfs/dbraw/zinc/49/93/63/631499363.db2.gz IXKKAHYSMKWAJD-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933736827 631499367 /nfs/dbraw/zinc/49/93/67/631499367.db2.gz IXKKAHYSMKWAJD-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP CSC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736827 631499373 /nfs/dbraw/zinc/49/93/73/631499373.db2.gz IXKKAHYSMKWAJD-QJPTWQEYSA-N 2 1 244.404 0.594 20 0 BCADMP Cl/C=C/C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000308970704 631774069 /nfs/dbraw/zinc/77/40/69/631774069.db2.gz PEMGGVPPVYQXMI-JHSHHRBUSA-N 2 1 229.755 0.718 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052042165 632053145 /nfs/dbraw/zinc/05/31/45/632053145.db2.gz SDRMZOVAGKFVKC-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052042168 632053329 /nfs/dbraw/zinc/05/33/29/632053329.db2.gz VLHGMHGZHBGQDK-JTQLQIEISA-N 2 1 224.352 0.993 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000309482881 632418160 /nfs/dbraw/zinc/41/81/60/632418160.db2.gz XAVDCGNRPGQMSB-LBPRGKRZSA-N 2 1 227.352 0.716 20 0 BCADMP COC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000259881438 632503266 /nfs/dbraw/zinc/50/32/66/632503266.db2.gz PYGZRSFEZHEQRG-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP CC(C)[N@@H+](CCCCCC[NH3+])CC(N)=O ZINC000308938693 632540564 /nfs/dbraw/zinc/54/05/64/632540564.db2.gz UFSJHYAJOPRGBI-UHFFFAOYSA-N 2 1 215.341 0.701 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000252848288 632563051 /nfs/dbraw/zinc/56/30/51/632563051.db2.gz GLJOZNYXFRAZIE-YFKTTZPYSA-N 2 1 237.347 0.276 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309114715 632642273 /nfs/dbraw/zinc/64/22/73/632642273.db2.gz KYXBRJZHHUQDEN-MNOVXSKESA-N 2 1 200.326 0.818 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)CC1CCCC1 ZINC000309736464 632662983 /nfs/dbraw/zinc/66/29/83/632662983.db2.gz GPWPGOGILGOUQK-NWDGAFQWSA-N 2 1 230.352 0.179 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCn2cccn2)C1 ZINC000235438883 632735278 /nfs/dbraw/zinc/73/52/78/632735278.db2.gz FGJYSSCGJPKVRN-NSHDSACASA-N 2 1 208.309 0.554 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000310451080 632742137 /nfs/dbraw/zinc/74/21/37/632742137.db2.gz VRBYWMLYWYXKDH-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310460386 632744772 /nfs/dbraw/zinc/74/47/72/632744772.db2.gz FCDHHMHGPFMYQV-VXGBXAGGSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310460386 632744778 /nfs/dbraw/zinc/74/47/78/632744778.db2.gz FCDHHMHGPFMYQV-VXGBXAGGSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000310460386 632744783 /nfs/dbraw/zinc/74/47/83/632744783.db2.gz FCDHHMHGPFMYQV-VXGBXAGGSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000310460386 632744786 /nfs/dbraw/zinc/74/47/86/632744786.db2.gz FCDHHMHGPFMYQV-VXGBXAGGSA-N 2 1 244.379 0.533 20 0 BCADMP O[C@@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552627 632756330 /nfs/dbraw/zinc/75/63/30/632756330.db2.gz VANFEJNNSSRBGM-QWHCGFSZSA-N 2 1 242.363 0.194 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000236185480 632761817 /nfs/dbraw/zinc/76/18/17/632761817.db2.gz YMBVEEOZUCWNMY-MRVPVSSYSA-N 2 1 208.252 0.549 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000052043909 632782389 /nfs/dbraw/zinc/78/23/89/632782389.db2.gz QPPAVYGFQQICCC-JTQLQIEISA-N 2 1 212.341 0.851 20 0 BCADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000983323728 635824970 /nfs/dbraw/zinc/82/49/70/635824970.db2.gz XDVQBQZXKSODKB-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000983323730 635825869 /nfs/dbraw/zinc/82/58/69/635825869.db2.gz XDVQBQZXKSODKB-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309445448 633079911 /nfs/dbraw/zinc/07/99/11/633079911.db2.gz OYTFPJSODMMYKW-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000166649023 633119795 /nfs/dbraw/zinc/11/97/95/633119795.db2.gz KMRXAVLSAPPDLP-PHIMTYICSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430274 635912992 /nfs/dbraw/zinc/91/29/92/635912992.db2.gz VNGARZGUWMLPED-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430274 635912996 /nfs/dbraw/zinc/91/29/96/635912996.db2.gz VNGARZGUWMLPED-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430274 635913003 /nfs/dbraw/zinc/91/30/03/635913003.db2.gz VNGARZGUWMLPED-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430274 635913009 /nfs/dbraw/zinc/91/30/09/635913009.db2.gz VNGARZGUWMLPED-VWYCJHECSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430262 635913229 /nfs/dbraw/zinc/91/32/29/635913229.db2.gz VNGARZGUWMLPED-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430262 635913234 /nfs/dbraw/zinc/91/32/34/635913234.db2.gz VNGARZGUWMLPED-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430262 635913238 /nfs/dbraw/zinc/91/32/38/635913238.db2.gz VNGARZGUWMLPED-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430262 635913240 /nfs/dbraw/zinc/91/32/40/635913240.db2.gz VNGARZGUWMLPED-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928430617 635915699 /nfs/dbraw/zinc/91/56/99/635915699.db2.gz YDFWDOZGFIOINJ-QWRGUYRKSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928430617 635915702 /nfs/dbraw/zinc/91/57/02/635915702.db2.gz YDFWDOZGFIOINJ-QWRGUYRKSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928431436 635916961 /nfs/dbraw/zinc/91/69/61/635916961.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000928431436 635916963 /nfs/dbraw/zinc/91/69/63/635916963.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1C ZINC000928431436 635916968 /nfs/dbraw/zinc/91/69/68/635916968.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928444405 635950049 /nfs/dbraw/zinc/95/00/49/635950049.db2.gz ZAPKEAVCHOJOAS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928444405 635950053 /nfs/dbraw/zinc/95/00/53/635950053.db2.gz ZAPKEAVCHOJOAS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928444405 635950058 /nfs/dbraw/zinc/95/00/58/635950058.db2.gz ZAPKEAVCHOJOAS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928444405 635950062 /nfs/dbraw/zinc/95/00/62/635950062.db2.gz ZAPKEAVCHOJOAS-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559763 636102654 /nfs/dbraw/zinc/10/26/54/636102654.db2.gz NQJRACWMDNDMRA-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559763 636102657 /nfs/dbraw/zinc/10/26/57/636102657.db2.gz NQJRACWMDNDMRA-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000928554582 636091231 /nfs/dbraw/zinc/09/12/31/636091231.db2.gz QSCXPRBHUNHFNH-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000928554582 636091233 /nfs/dbraw/zinc/09/12/33/636091233.db2.gz QSCXPRBHUNHFNH-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000928554582 636091238 /nfs/dbraw/zinc/09/12/38/636091238.db2.gz QSCXPRBHUNHFNH-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP FC(F)COCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328511260 633777426 /nfs/dbraw/zinc/77/74/26/633777426.db2.gz BLBXFWKBYPNSAR-ORZSEXNPSA-N 2 1 246.301 0.854 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328570403 633778638 /nfs/dbraw/zinc/77/86/38/633778638.db2.gz ROQLVSUIIVTNCU-GMDXDWKASA-N 2 1 235.375 0.667 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925508355 633842842 /nfs/dbraw/zinc/84/28/42/633842842.db2.gz FVFNOLUCFZUQFM-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925508356 633842989 /nfs/dbraw/zinc/84/29/89/633842989.db2.gz FVFNOLUCFZUQFM-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925518968 633877690 /nfs/dbraw/zinc/87/76/90/633877690.db2.gz QJICBKKXKUAQCV-LLVKDONJSA-N 2 1 225.336 0.387 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)C[C@@H]2C1 ZINC000309269396 633878235 /nfs/dbraw/zinc/87/82/35/633878235.db2.gz CVDJWXFQNRWWJB-AGIUHOORSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C3CC3)C[C@@H]2C1 ZINC000309269396 633878236 /nfs/dbraw/zinc/87/82/36/633878236.db2.gz CVDJWXFQNRWWJB-AGIUHOORSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)C[C@@H]2C1 ZINC000309269396 633878240 /nfs/dbraw/zinc/87/82/40/633878240.db2.gz CVDJWXFQNRWWJB-AGIUHOORSA-N 2 1 224.348 0.641 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309316681 633893926 /nfs/dbraw/zinc/89/39/26/633893926.db2.gz YWTQWQHGPPXNGH-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CCCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000309982546 634026799 /nfs/dbraw/zinc/02/67/99/634026799.db2.gz FIKDTNMRLJLPCI-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983990 634028449 /nfs/dbraw/zinc/02/84/49/634028449.db2.gz YQXXGSPKTWBTLC-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983990 634028456 /nfs/dbraw/zinc/02/84/56/634028456.db2.gz YQXXGSPKTWBTLC-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557677 634032435 /nfs/dbraw/zinc/03/24/35/634032435.db2.gz PXVRLAMLUDVDEG-CHWSQXEVSA-N 2 1 239.363 0.049 20 0 BCADMP CC[N@@H+](CCN[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925559990 634038619 /nfs/dbraw/zinc/03/86/19/634038619.db2.gz VTGTUCXCPNBOLL-NSHDSACASA-N 2 1 227.352 0.049 20 0 BCADMP OCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000310048766 634114769 /nfs/dbraw/zinc/11/47/69/634114769.db2.gz RBNHLJZNXALWLK-ZDUSSCGKSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000310048766 634114778 /nfs/dbraw/zinc/11/47/78/634114778.db2.gz RBNHLJZNXALWLK-ZDUSSCGKSA-N 2 1 242.363 0.290 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674216 634258936 /nfs/dbraw/zinc/25/89/36/634258936.db2.gz AGHKRZCNBSUNEV-NWDGAFQWSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000925685099 634298650 /nfs/dbraw/zinc/29/86/50/634298650.db2.gz FRUWFNAAXQBVEJ-HBNTYKKESA-N 2 1 225.336 0.243 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000925686884 634298999 /nfs/dbraw/zinc/29/89/99/634298999.db2.gz ZDWDWFMPEWQBAY-SKDRFNHKSA-N 2 1 225.336 0.385 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000925685097 634299317 /nfs/dbraw/zinc/29/93/17/634299317.db2.gz FRUWFNAAXQBVEJ-DCAQKATOSA-N 2 1 225.336 0.243 20 0 BCADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001026734587 634312841 /nfs/dbraw/zinc/31/28/41/634312841.db2.gz PYHLVKBDACWBHE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(N)=O ZINC000925690613 634314830 /nfs/dbraw/zinc/31/48/30/634314830.db2.gz KQHDNDGXDPSNDS-ZACCUICWSA-N 2 1 239.363 0.428 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnccn1 ZINC000925692095 634322185 /nfs/dbraw/zinc/32/21/85/634322185.db2.gz POONILSZEZMFDN-ONXXMXGDSA-N 2 1 246.358 0.949 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925696849 634358835 /nfs/dbraw/zinc/35/88/35/634358835.db2.gz BOFOGMPLUQXLGU-NSHDSACASA-N 3 1 209.337 0.636 20 0 BCADMP C[C@@H](CCCC[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925698148 634362620 /nfs/dbraw/zinc/36/26/20/634362620.db2.gz CKPDSECHBACOAP-QWRGUYRKSA-N 2 1 215.341 0.082 20 0 BCADMP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925698147 634362944 /nfs/dbraw/zinc/36/29/44/634362944.db2.gz CKPDSECHBACOAP-MNOVXSKESA-N 2 1 215.341 0.082 20 0 BCADMP C1=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[NH2+]C1 ZINC000925698629 634363969 /nfs/dbraw/zinc/36/39/69/634363969.db2.gz LAAITPCJZCSTTL-YHQUGGNUSA-N 3 1 233.359 0.492 20 0 BCADMP COCCNCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698580 634364904 /nfs/dbraw/zinc/36/49/04/634364904.db2.gz KUPVMDDFRJDKCX-RYUDHWBXSA-N 2 1 243.395 0.718 20 0 BCADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000925699345 634366713 /nfs/dbraw/zinc/36/67/13/634366713.db2.gz OHFZXIBLYHUVRW-GHMZBOCLSA-N 3 1 211.353 0.701 20 0 BCADMP CC1(C)C[C@@H]([NH2+]CC2C[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925699346 634367072 /nfs/dbraw/zinc/36/70/72/634367072.db2.gz OHFZXIBLYHUVRW-MNOVXSKESA-N 3 1 211.353 0.701 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925700056 634369158 /nfs/dbraw/zinc/36/91/58/634369158.db2.gz RDYQWKAAXVVKHP-SQXHDICFSA-N 2 1 231.290 0.166 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033520 635151342 /nfs/dbraw/zinc/15/13/42/635151342.db2.gz YBARDUZEWXAISW-CYBMUJFWSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033521 635151978 /nfs/dbraw/zinc/15/19/78/635151978.db2.gz YBARDUZEWXAISW-ZDUSSCGKSA-N 2 1 239.363 0.683 20 0 BCADMP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000925771069 635203021 /nfs/dbraw/zinc/20/30/21/635203021.db2.gz MJDHNKDWQOIAQI-AATLWQCWSA-N 2 1 232.349 0.031 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925791853 635320805 /nfs/dbraw/zinc/32/08/05/635320805.db2.gz SQEDZWAODBGSGV-FVCCEPFGSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925791853 635320813 /nfs/dbraw/zinc/32/08/13/635320813.db2.gz SQEDZWAODBGSGV-FVCCEPFGSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925791853 635320828 /nfs/dbraw/zinc/32/08/28/635320828.db2.gz SQEDZWAODBGSGV-FVCCEPFGSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000925791853 635320841 /nfs/dbraw/zinc/32/08/41/635320841.db2.gz SQEDZWAODBGSGV-FVCCEPFGSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000925798889 635340540 /nfs/dbraw/zinc/34/05/40/635340540.db2.gz XHETYROXZOKWPT-WISYIIOYSA-N 2 1 211.353 0.701 20 0 BCADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CN3C[C@@H]1CCC3)C2 ZINC000925812520 635367869 /nfs/dbraw/zinc/36/78/69/635367869.db2.gz IMFRXQOXURAYIX-XQQFMLRXSA-N 2 1 246.358 0.882 20 0 BCADMP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814553 635378645 /nfs/dbraw/zinc/37/86/45/635378645.db2.gz NGAKJGJXKGLGDZ-KOLCDFICSA-N 2 1 248.330 0.312 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167658092 635385040 /nfs/dbraw/zinc/38/50/40/635385040.db2.gz ZGXHTAFNRKJBLS-QJPTWQEYSA-N 2 1 230.352 0.301 20 0 BCADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)C1C[NH2+]C1 ZINC000925873004 635590324 /nfs/dbraw/zinc/59/03/24/635590324.db2.gz CZTFKZQTPJXTDR-SECBINFHSA-N 2 1 234.347 0.995 20 0 BCADMP CN1C[C@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)CC1=O ZINC000924896250 635750774 /nfs/dbraw/zinc/75/07/74/635750774.db2.gz MEAHPONVISONGN-YIVACMHISA-N 2 1 237.347 0.147 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523116 636266024 /nfs/dbraw/zinc/26/60/24/636266024.db2.gz MKBMVUHXDGADAK-CHWSQXEVSA-N 3 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000310523116 636266031 /nfs/dbraw/zinc/26/60/31/636266031.db2.gz MKBMVUHXDGADAK-CHWSQXEVSA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000310523116 636266035 /nfs/dbraw/zinc/26/60/35/636266035.db2.gz MKBMVUHXDGADAK-CHWSQXEVSA-N 2 1 241.379 0.114 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983127 636397282 /nfs/dbraw/zinc/39/72/82/636397282.db2.gz SWDDEGQPUDOTFE-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983250 636397792 /nfs/dbraw/zinc/39/77/92/636397792.db2.gz UBTWLCKQPGZSDN-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000418316282 636540357 /nfs/dbraw/zinc/54/03/57/636540357.db2.gz JMCZHWQSBHGWJY-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000322816096 636880843 /nfs/dbraw/zinc/88/08/43/636880843.db2.gz VNOGQPULZJUSJJ-TZSFNEBQSA-N 2 1 237.347 0.097 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000322816094 636882374 /nfs/dbraw/zinc/88/23/74/636882374.db2.gz VNOGQPULZJUSJJ-FABMZRAQSA-N 2 1 237.347 0.097 20 0 BCADMP CON1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000323080766 636897325 /nfs/dbraw/zinc/89/73/25/636897325.db2.gz TZQKHMYKLCTZLE-LBPRGKRZSA-N 2 1 241.379 0.944 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701342 636931636 /nfs/dbraw/zinc/93/16/36/636931636.db2.gz JLUOOWSTFWBSPY-XQQFMLRXSA-N 2 1 224.348 0.855 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)CCOC)C[NH+](C)C ZINC000926966837 636977214 /nfs/dbraw/zinc/97/72/14/636977214.db2.gz YHDBODCNVFYUOQ-VXGBXAGGSA-N 2 1 232.368 0.968 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN(C3CC3)C(=O)C2)C1 ZINC000903438514 637363297 /nfs/dbraw/zinc/36/32/97/637363297.db2.gz WXYFYYIYAKZMDG-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903463874 637364683 /nfs/dbraw/zinc/36/46/83/637364683.db2.gz QOHZDTFJGTYFFP-MXWKQRLJSA-N 2 1 212.337 0.959 20 0 BCADMP COC(=O)[C@]1(F)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463614 637365397 /nfs/dbraw/zinc/36/53/97/637365397.db2.gz GVJXJGMRDPEKEG-SCVCMEIPSA-N 2 1 244.310 0.701 20 0 BCADMP OCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722805 637378466 /nfs/dbraw/zinc/37/84/66/637378466.db2.gz DNOMIDBNHDILNZ-OLZOCXBDSA-N 2 1 240.347 0.212 20 0 BCADMP COCC[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722845 637380331 /nfs/dbraw/zinc/38/03/31/637380331.db2.gz DTQCJXYZFFMMJO-GFCCVEGCSA-N 2 1 242.363 0.723 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000904469468 637422630 /nfs/dbraw/zinc/42/26/30/637422630.db2.gz MZJJPNHYOCZPJZ-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C([NH2+][C@@H]1COC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000904476275 637425144 /nfs/dbraw/zinc/42/51/44/637425144.db2.gz PGMJUJISPUVEAT-CDOIKYBLSA-N 2 1 222.332 0.753 20 0 BCADMP [NH3+]C1(c2noc(CC[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000905326954 637756265 /nfs/dbraw/zinc/75/62/65/637756265.db2.gz KGTDEZHAOKORQV-SECBINFHSA-N 2 1 236.319 0.950 20 0 BCADMP [NH3+]C1(c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)CC1 ZINC000905326493 637757092 /nfs/dbraw/zinc/75/70/92/637757092.db2.gz DPAFJWWRPNHELM-LDYMZIIASA-N 2 1 234.303 0.875 20 0 BCADMP CCO[C@H](C[NH2+]CC1(O)CCC1)C[NH+](C)C ZINC000905578528 637854172 /nfs/dbraw/zinc/85/41/72/637854172.db2.gz FBXQQLFWBZBTSN-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000906092066 638047883 /nfs/dbraw/zinc/04/78/83/638047883.db2.gz HBHGNFNBJYGIBF-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1O ZINC000906507785 638179506 /nfs/dbraw/zinc/17/95/06/638179506.db2.gz CBMAJQMKOPMLOP-MGCOHNPYSA-N 2 1 222.288 0.980 20 0 BCADMP CN(C)CC(N)=NOCC[C@H]1CCCC[N@H+]1C ZINC000906507433 638179672 /nfs/dbraw/zinc/17/96/72/638179672.db2.gz CFJFWHQLDHUVTC-LLVKDONJSA-N 2 1 242.367 0.921 20 0 BCADMP C[NH+](C)CC(N)=NOCC[C@H]1CCCC[N@@H+]1C ZINC000906507433 638179676 /nfs/dbraw/zinc/17/96/76/638179676.db2.gz CFJFWHQLDHUVTC-LLVKDONJSA-N 2 1 242.367 0.921 20 0 BCADMP C[NH+](C)CC(N)=NOCC[C@H]1CCCC[N@H+]1C ZINC000906507433 638179680 /nfs/dbraw/zinc/17/96/80/638179680.db2.gz CFJFWHQLDHUVTC-LLVKDONJSA-N 2 1 242.367 0.921 20 0 BCADMP CN(C)c1ncc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906510183 638183607 /nfs/dbraw/zinc/18/36/07/638183607.db2.gz QAWJNAFLXFFFNV-UHFFFAOYSA-N 2 1 221.308 0.122 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CCO[NH+]=C(N)CCO ZINC000906503527 638195933 /nfs/dbraw/zinc/19/59/33/638195933.db2.gz QIKSGBQMABHXLF-JTQLQIEISA-N 2 1 229.324 0.742 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCO[NH+]=C(N)CCO ZINC000906503527 638195942 /nfs/dbraw/zinc/19/59/42/638195942.db2.gz QIKSGBQMABHXLF-JTQLQIEISA-N 2 1 229.324 0.742 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000908350594 638662409 /nfs/dbraw/zinc/66/24/09/638662409.db2.gz ZRBIDHMRCYRRSK-NEPJUHHUSA-N 2 1 249.358 0.245 20 0 BCADMP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558489 711472886 /nfs/dbraw/zinc/47/28/86/711472886.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712558489 711472889 /nfs/dbraw/zinc/47/28/89/711472889.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP C[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712558489 711472891 /nfs/dbraw/zinc/47/28/91/711472891.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558489 711472893 /nfs/dbraw/zinc/47/28/93/711472893.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558489 711472894 /nfs/dbraw/zinc/47/28/94/711472894.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 1 223.364 0.907 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628440 639687166 /nfs/dbraw/zinc/68/71/66/639687166.db2.gz NERAPKVTEZKSPF-GFCCVEGCSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628442 639688114 /nfs/dbraw/zinc/68/81/14/639688114.db2.gz NERAPKVTEZKSPF-LBPRGKRZSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)CO)C2)CC1 ZINC000930310342 639696687 /nfs/dbraw/zinc/69/66/87/639696687.db2.gz FRPIOWDQFVHYQX-GFCCVEGCSA-N 2 1 242.363 0.147 20 0 BCADMP [NH3+]CCCNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC000911648256 639705584 /nfs/dbraw/zinc/70/55/84/639705584.db2.gz NYIFRXWYMBCBOI-LBPRGKRZSA-N 2 1 249.314 0.175 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739256 639764207 /nfs/dbraw/zinc/76/42/07/639764207.db2.gz SBYCVWYCBWDWSL-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]1[NH2+]CCOc2ccccc21 ZINC000911749216 639775502 /nfs/dbraw/zinc/77/55/02/639775502.db2.gz YSZAAHNCQQQPNV-LBPRGKRZSA-N 2 1 249.314 0.045 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC000911749215 639776028 /nfs/dbraw/zinc/77/60/28/639776028.db2.gz YSZAAHNCQQQPNV-GFCCVEGCSA-N 2 1 249.314 0.045 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786353 639803787 /nfs/dbraw/zinc/80/37/87/639803787.db2.gz AIFZQRGEVSZBDF-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786352 639804351 /nfs/dbraw/zinc/80/43/51/639804351.db2.gz AIFZQRGEVSZBDF-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911814896 639804549 /nfs/dbraw/zinc/80/45/49/639804549.db2.gz VWEOWINTGSZOPM-QWRGUYRKSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930577796 639812855 /nfs/dbraw/zinc/81/28/55/639812855.db2.gz OFOVRHAIKCACLN-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000911826183 639837303 /nfs/dbraw/zinc/83/73/03/639837303.db2.gz LTMWSCVYIFPMDI-ONGXEEELSA-N 2 1 238.335 0.688 20 0 BCADMP Cc1sc(C[NH3+])nc1C(=O)NCC(C)(C)[NH3+] ZINC000911847554 639856848 /nfs/dbraw/zinc/85/68/48/639856848.db2.gz ZFUATLOHARFIQN-UHFFFAOYSA-N 2 1 242.348 0.377 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931067584 640057137 /nfs/dbraw/zinc/05/71/37/640057137.db2.gz QTVNLFVLRMVELC-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931067584 640057142 /nfs/dbraw/zinc/05/71/42/640057142.db2.gz QTVNLFVLRMVELC-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3=O)C[C@H]21 ZINC000931279943 640134702 /nfs/dbraw/zinc/13/47/02/640134702.db2.gz UQWYEAZJAZQWCH-NNYUYHANSA-N 2 1 238.331 0.431 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3=O)C[C@H]21 ZINC000931279943 640134706 /nfs/dbraw/zinc/13/47/06/640134706.db2.gz UQWYEAZJAZQWCH-NNYUYHANSA-N 2 1 238.331 0.431 20 0 BCADMP CNC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307871 640144127 /nfs/dbraw/zinc/14/41/27/640144127.db2.gz MNZJTGKDRSVZKO-STQMWFEESA-N 2 1 239.363 0.396 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313285 640149289 /nfs/dbraw/zinc/14/92/89/640149289.db2.gz AHGMQSXKCQNCLS-QNWHQSFQSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313285 640149298 /nfs/dbraw/zinc/14/92/98/640149298.db2.gz AHGMQSXKCQNCLS-QNWHQSFQSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931313285 640149304 /nfs/dbraw/zinc/14/93/04/640149304.db2.gz AHGMQSXKCQNCLS-QNWHQSFQSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931313285 640149311 /nfs/dbraw/zinc/14/93/11/640149311.db2.gz AHGMQSXKCQNCLS-QNWHQSFQSA-N 2 1 242.363 0.002 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198498 /nfs/dbraw/zinc/19/84/98/640198498.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 1 237.347 0.149 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198502 /nfs/dbraw/zinc/19/85/02/640198502.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198505 /nfs/dbraw/zinc/19/85/05/640198505.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198509 /nfs/dbraw/zinc/19/85/09/640198509.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198512 /nfs/dbraw/zinc/19/85/12/640198512.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 1 237.347 0.149 20 0 BCADMP CNC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433317 640200919 /nfs/dbraw/zinc/20/09/19/640200919.db2.gz XOKNOXPRXBWZEX-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433317 640200924 /nfs/dbraw/zinc/20/09/24/640200924.db2.gz XOKNOXPRXBWZEX-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433317 640200930 /nfs/dbraw/zinc/20/09/30/640200930.db2.gz XOKNOXPRXBWZEX-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCN(C#N)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442259 640202954 /nfs/dbraw/zinc/20/29/54/640202954.db2.gz ZYGKSNLTWTVMRQ-QWHCGFSZSA-N 2 1 236.363 0.673 20 0 BCADMP CCN(C#N)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442259 640202959 /nfs/dbraw/zinc/20/29/59/640202959.db2.gz ZYGKSNLTWTVMRQ-QWHCGFSZSA-N 2 1 236.363 0.673 20 0 BCADMP CCN(C#N)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442259 640202966 /nfs/dbraw/zinc/20/29/66/640202966.db2.gz ZYGKSNLTWTVMRQ-QWHCGFSZSA-N 2 1 236.363 0.673 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204158 /nfs/dbraw/zinc/20/41/58/640204158.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204165 /nfs/dbraw/zinc/20/41/65/640204165.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204167 /nfs/dbraw/zinc/20/41/67/640204167.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 2 1 235.335 0.162 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC000931433265 640204566 /nfs/dbraw/zinc/20/45/66/640204566.db2.gz VRTITFQUQMDXOM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC000931433265 640204572 /nfs/dbraw/zinc/20/45/72/640204572.db2.gz VRTITFQUQMDXOM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC000931433265 640204578 /nfs/dbraw/zinc/20/45/78/640204578.db2.gz VRTITFQUQMDXOM-XQQFMLRXSA-N 2 1 224.348 0.906 20 0 BCADMP CCn1nncc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442166 640205140 /nfs/dbraw/zinc/20/51/40/640205140.db2.gz WUPJHUZTRHZLNO-NWDGAFQWSA-N 2 1 249.362 0.682 20 0 BCADMP CCn1nncc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442166 640205149 /nfs/dbraw/zinc/20/51/49/640205149.db2.gz WUPJHUZTRHZLNO-NWDGAFQWSA-N 2 1 249.362 0.682 20 0 BCADMP CCn1nncc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442166 640205156 /nfs/dbraw/zinc/20/51/56/640205156.db2.gz WUPJHUZTRHZLNO-NWDGAFQWSA-N 2 1 249.362 0.682 20 0 BCADMP CCn1nncc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442166 640205159 /nfs/dbraw/zinc/20/51/59/640205159.db2.gz WUPJHUZTRHZLNO-NWDGAFQWSA-N 2 1 249.362 0.682 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208647 /nfs/dbraw/zinc/20/86/47/640208647.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208651 /nfs/dbraw/zinc/20/86/51/640208651.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 2 1 248.317 0.886 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208654 /nfs/dbraw/zinc/20/86/54/640208654.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 2 1 248.317 0.886 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441946 640208894 /nfs/dbraw/zinc/20/88/94/640208894.db2.gz RPYSNJYQQQSLRE-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000931441946 640208900 /nfs/dbraw/zinc/20/89/00/640208900.db2.gz RPYSNJYQQQSLRE-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000931441946 640208911 /nfs/dbraw/zinc/20/89/11/640208911.db2.gz RPYSNJYQQQSLRE-YNEHKIRRSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2)OC ZINC000931717721 640336967 /nfs/dbraw/zinc/33/69/67/640336967.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP COC[C@@H](CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OC ZINC000931717721 640336972 /nfs/dbraw/zinc/33/69/72/640336972.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP COC[C@@H](CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OC ZINC000931717721 640336976 /nfs/dbraw/zinc/33/69/76/640336976.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000913533070 640386586 /nfs/dbraw/zinc/38/65/86/640386586.db2.gz XVGYIGHLAPHMRJ-TUAOUCFPSA-N 2 1 237.347 0.386 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000913533070 640386591 /nfs/dbraw/zinc/38/65/91/640386591.db2.gz XVGYIGHLAPHMRJ-TUAOUCFPSA-N 2 1 237.347 0.386 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000913533070 640386594 /nfs/dbraw/zinc/38/65/94/640386594.db2.gz XVGYIGHLAPHMRJ-TUAOUCFPSA-N 2 1 237.347 0.386 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000913533070 640386598 /nfs/dbraw/zinc/38/65/98/640386598.db2.gz XVGYIGHLAPHMRJ-TUAOUCFPSA-N 2 1 237.347 0.386 20 0 BCADMP C[NH+]1CCC(C[NH2+]Cc2c[nH]cn2)CC1 ZINC000054765259 640409589 /nfs/dbraw/zinc/40/95/89/640409589.db2.gz LCBZRYRTPXLRDS-UHFFFAOYSA-N 2 1 208.309 0.841 20 0 BCADMP COC[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000045655932 640615389 /nfs/dbraw/zinc/61/53/89/640615389.db2.gz IOZYJJDAZJYYHV-SNVBAGLBSA-N 2 1 200.326 0.953 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000225865608 640714028 /nfs/dbraw/zinc/71/40/28/640714028.db2.gz FFEIRZRZWPLYPF-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167667710 640740919 /nfs/dbraw/zinc/74/09/19/640740919.db2.gz QWDSVOLEDVTJHF-AXFHLTTASA-N 2 1 200.326 0.674 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000226397667 640760675 /nfs/dbraw/zinc/76/06/75/640760675.db2.gz APSYJJSVQQRRRL-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCCCO)CCO1 ZINC000226434275 640764519 /nfs/dbraw/zinc/76/45/19/640764519.db2.gz MKPGIOUJPXVFDJ-VXGBXAGGSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000226434275 640764523 /nfs/dbraw/zinc/76/45/23/640764523.db2.gz MKPGIOUJPXVFDJ-VXGBXAGGSA-N 2 1 230.352 0.587 20 0 BCADMP COCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766684 640848296 /nfs/dbraw/zinc/84/82/96/640848296.db2.gz XIEUFCWTLFVGJJ-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP CC(=O)NC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000228332591 640870614 /nfs/dbraw/zinc/87/06/14/640870614.db2.gz JZUXJLCUPZKECP-UHFFFAOYSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228531242 640878811 /nfs/dbraw/zinc/87/88/11/640878811.db2.gz BDBSWYVFPIZQOV-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257796 640940340 /nfs/dbraw/zinc/94/03/40/640940340.db2.gz DGTUQKOEUJWAOW-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000230900134 641116145 /nfs/dbraw/zinc/11/61/45/641116145.db2.gz JRVHZMXMGPGXKK-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP Cc1cc(NCC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000063248203 641148391 /nfs/dbraw/zinc/14/83/91/641148391.db2.gz IPOZGISOOAVGSX-UHFFFAOYSA-N 2 1 221.308 0.873 20 0 BCADMP [NH3+]C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000307940738 641194943 /nfs/dbraw/zinc/19/49/43/641194943.db2.gz NMBLHSAFAMGPIW-QMMMGPOBSA-N 2 1 226.242 0.723 20 0 BCADMP CCOC(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC ZINC000088009393 641237265 /nfs/dbraw/zinc/23/72/65/641237265.db2.gz ZSRRUQYZNORHON-PHIMTYICSA-N 2 1 228.336 0.537 20 0 BCADMP CCOC(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC ZINC000088009393 641237267 /nfs/dbraw/zinc/23/72/67/641237267.db2.gz ZSRRUQYZNORHON-PHIMTYICSA-N 2 1 228.336 0.537 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000232298197 641264154 /nfs/dbraw/zinc/26/41/54/641264154.db2.gz QPSQFNSFWKFQPD-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+](C)C1(C(=O)NC23CC[NH+](CC2)C3)CCC1 ZINC000913630754 641434188 /nfs/dbraw/zinc/43/41/88/641434188.db2.gz COOSJJNIRDEBJK-UHFFFAOYSA-N 2 1 237.347 0.435 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673692 641534876 /nfs/dbraw/zinc/53/48/76/641534876.db2.gz PUOAKJFPYKSWLD-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157633479 641620955 /nfs/dbraw/zinc/62/09/55/641620955.db2.gz GQBHOHPUYSKNJL-GMTAPVOTSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000157890842 641625621 /nfs/dbraw/zinc/62/56/21/641625621.db2.gz ZZSZCJGJSKXNMZ-LOWVWBTDSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315616 641637784 /nfs/dbraw/zinc/63/77/84/641637784.db2.gz WDUNGMYMHYRMIR-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000914315616 641637790 /nfs/dbraw/zinc/63/77/90/641637790.db2.gz WDUNGMYMHYRMIR-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914315616 641637796 /nfs/dbraw/zinc/63/77/96/641637796.db2.gz WDUNGMYMHYRMIR-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000914391401 641657552 /nfs/dbraw/zinc/65/75/52/641657552.db2.gz IHKBVFVXHJBIDT-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000914391401 641657554 /nfs/dbraw/zinc/65/75/54/641657554.db2.gz IHKBVFVXHJBIDT-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914391401 641657559 /nfs/dbraw/zinc/65/75/59/641657559.db2.gz IHKBVFVXHJBIDT-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP COC(C[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000189043471 641784923 /nfs/dbraw/zinc/78/49/23/641784923.db2.gz BNUTXNCRYCMMPZ-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000189043471 641784928 /nfs/dbraw/zinc/78/49/28/641784928.db2.gz BNUTXNCRYCMMPZ-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000189043471 641784934 /nfs/dbraw/zinc/78/49/34/641784934.db2.gz BNUTXNCRYCMMPZ-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP COC(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000189043471 641784937 /nfs/dbraw/zinc/78/49/37/641784937.db2.gz BNUTXNCRYCMMPZ-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260699 641867852 /nfs/dbraw/zinc/86/78/52/641867852.db2.gz SNWUQZAWBPQEJS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260699 641867854 /nfs/dbraw/zinc/86/78/54/641867854.db2.gz SNWUQZAWBPQEJS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP O=C(NC1C[NH+](CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001031266506 641869829 /nfs/dbraw/zinc/86/98/29/641869829.db2.gz UJMIPKRSJPOPKF-UHFFFAOYSA-N 2 1 249.358 0.293 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015705126 641882892 /nfs/dbraw/zinc/88/28/92/641882892.db2.gz IEJCNUGJEOOMCS-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015705126 641882895 /nfs/dbraw/zinc/88/28/95/641882895.db2.gz IEJCNUGJEOOMCS-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015705126 641882899 /nfs/dbraw/zinc/88/28/99/641882899.db2.gz IEJCNUGJEOOMCS-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930000853 642138334 /nfs/dbraw/zinc/13/83/34/642138334.db2.gz SCIZLDVEADZFJO-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930000853 642138342 /nfs/dbraw/zinc/13/83/42/642138342.db2.gz SCIZLDVEADZFJO-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930000853 642138346 /nfs/dbraw/zinc/13/83/46/642138346.db2.gz SCIZLDVEADZFJO-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577893 642331377 /nfs/dbraw/zinc/33/13/77/642331377.db2.gz QYYXCJFFUXVDJK-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577954 642332910 /nfs/dbraw/zinc/33/29/10/642332910.db2.gz RUNUVWWJAFLGNU-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307933103 642350608 /nfs/dbraw/zinc/35/06/08/642350608.db2.gz DHRBIUUBNSEVMQ-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307933103 642350610 /nfs/dbraw/zinc/35/06/10/642350610.db2.gz DHRBIUUBNSEVMQ-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000307943234 642353647 /nfs/dbraw/zinc/35/36/47/642353647.db2.gz RMEQFHYCVVNHSZ-MRVPVSSYSA-N 2 1 228.258 0.841 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021906607 642453362 /nfs/dbraw/zinc/45/33/62/642453362.db2.gz RXRQHRWFTQUMRT-TUAOUCFPSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233940274 642710925 /nfs/dbraw/zinc/71/09/25/642710925.db2.gz BMVKOADSVYRUAZ-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233940274 642710926 /nfs/dbraw/zinc/71/09/26/642710926.db2.gz BMVKOADSVYRUAZ-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(C)OCCO2)CC[N@@H+]1C ZINC000179573165 642726315 /nfs/dbraw/zinc/72/63/15/642726315.db2.gz AFHYWBFNUMEKCJ-GHMZBOCLSA-N 2 1 228.336 0.822 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(C)OCCO2)CC[N@H+]1C ZINC000179573165 642726319 /nfs/dbraw/zinc/72/63/19/642726319.db2.gz AFHYWBFNUMEKCJ-GHMZBOCLSA-N 2 1 228.336 0.822 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069054636 642820982 /nfs/dbraw/zinc/82/09/82/642820982.db2.gz ZDUNZHIDHANVMN-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069054636 642820986 /nfs/dbraw/zinc/82/09/86/642820986.db2.gz ZDUNZHIDHANVMN-FRRDWIJNSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253194959 642944247 /nfs/dbraw/zinc/94/42/47/642944247.db2.gz QWDSVOLEDVTJHF-DCAQKATOSA-N 2 1 200.326 0.674 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194960 642945005 /nfs/dbraw/zinc/94/50/05/642945005.db2.gz QWDSVOLEDVTJHF-MXWKQRLJSA-N 2 1 200.326 0.674 20 0 BCADMP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018617439 643003312 /nfs/dbraw/zinc/00/33/12/643003312.db2.gz VCQBMNOFVGHHSZ-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019383993 643031063 /nfs/dbraw/zinc/03/10/63/643031063.db2.gz RMJFZQFYTMXSOP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000304362772 643108188 /nfs/dbraw/zinc/10/81/88/643108188.db2.gz MZFTVHUFOYAKAS-LLVKDONJSA-N 2 1 225.336 0.324 20 0 BCADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1OC ZINC000252789667 643118117 /nfs/dbraw/zinc/11/81/17/643118117.db2.gz RRXWOEXVCFLDCD-IJLUTSLNSA-N 2 1 230.352 0.720 20 0 BCADMP C[C@@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252955310 643147921 /nfs/dbraw/zinc/14/79/21/643147921.db2.gz RDQJXFGKNNGMEU-MTODWIKFSA-N 2 1 244.404 0.968 20 0 BCADMP C[C@@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252955310 643147927 /nfs/dbraw/zinc/14/79/27/643147927.db2.gz RDQJXFGKNNGMEU-MTODWIKFSA-N 2 1 244.404 0.968 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976970 643148317 /nfs/dbraw/zinc/14/83/17/643148317.db2.gz UQGNMWQSFJVUDE-PWSUYJOCSA-N 2 1 239.363 0.252 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253251445 643191023 /nfs/dbraw/zinc/19/10/23/643191023.db2.gz WQBHCZYUYOJEBX-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC(C)(C)C1 ZINC000082560464 643342563 /nfs/dbraw/zinc/34/25/63/643342563.db2.gz VUPIZTUWDOKUFK-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC(C)(C)C1 ZINC000082560464 643342568 /nfs/dbraw/zinc/34/25/68/643342568.db2.gz VUPIZTUWDOKUFK-MNOVXSKESA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000082560420 643343288 /nfs/dbraw/zinc/34/32/88/643343288.db2.gz UJERVDQGPHLVFF-RHYQMDGZSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000082560420 643343291 /nfs/dbraw/zinc/34/32/91/643343291.db2.gz UJERVDQGPHLVFF-RHYQMDGZSA-N 2 1 212.337 0.951 20 0 BCADMP CC[NH2+]CC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000082645648 643363751 /nfs/dbraw/zinc/36/37/51/643363751.db2.gz YJQXBINVIJOQCL-LLVKDONJSA-N 2 1 226.320 0.623 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021044212 643393872 /nfs/dbraw/zinc/39/38/72/643393872.db2.gz KFNHZXJHDSJNLK-DCAQKATOSA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970482349 643442092 /nfs/dbraw/zinc/44/20/92/643442092.db2.gz UGUJUXRWJBIXGH-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+](CCCCCC[NH3+])CCS(C)(=O)=O ZINC000086855085 643640223 /nfs/dbraw/zinc/64/02/23/643640223.db2.gz GKKLUXYFWRWCAS-UHFFFAOYSA-N 2 1 236.381 0.482 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCS(C)(=O)=O ZINC000086855085 643640234 /nfs/dbraw/zinc/64/02/34/643640234.db2.gz GKKLUXYFWRWCAS-UHFFFAOYSA-N 2 1 236.381 0.482 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221653 643650194 /nfs/dbraw/zinc/65/01/94/643650194.db2.gz YBDKNCOPKSIPNA-VXGBXAGGSA-N 2 1 229.368 0.282 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221653 643650198 /nfs/dbraw/zinc/65/01/98/643650198.db2.gz YBDKNCOPKSIPNA-VXGBXAGGSA-N 2 1 229.368 0.282 20 0 BCADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000084218073 643650768 /nfs/dbraw/zinc/65/07/68/643650768.db2.gz YIEVQYXCWAHUKY-NEPJUHHUSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000084218075 643652045 /nfs/dbraw/zinc/65/20/45/643652045.db2.gz YIEVQYXCWAHUKY-NWDGAFQWSA-N 2 1 211.353 0.799 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050247638 643661111 /nfs/dbraw/zinc/66/11/11/643661111.db2.gz PXSZIZKDVKLLSP-LLVKDONJSA-N 2 1 233.315 0.566 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050247640 643661469 /nfs/dbraw/zinc/66/14/69/643661469.db2.gz PXSZIZKDVKLLSP-NSHDSACASA-N 2 1 233.315 0.566 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869976 643823971 /nfs/dbraw/zinc/82/39/71/643823971.db2.gz QZGIRKQYTCKWCC-VQXHTEKXSA-N 2 1 216.325 0.195 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086068432 643897906 /nfs/dbraw/zinc/89/79/06/643897906.db2.gz VRFJANZHTJHVPI-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP CN(CCC[NH2+]Cc1c[nH]cn1)CC[NH+](C)C ZINC000922274439 643944166 /nfs/dbraw/zinc/94/41/66/643944166.db2.gz FKHXIZQNWJZFOL-UHFFFAOYSA-N 2 1 239.367 0.383 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000922479689 644002682 /nfs/dbraw/zinc/00/26/82/644002682.db2.gz YKONWWUEUXVCJL-GARJFASQSA-N 2 1 242.367 0.328 20 0 BCADMP COC/C(C)=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312530 644067663 /nfs/dbraw/zinc/06/76/63/644067663.db2.gz KKWTXGFESPKSCY-MCDZVTHESA-N 2 1 210.321 0.730 20 0 BCADMP COC/C(C)=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312524 644067873 /nfs/dbraw/zinc/06/78/73/644067873.db2.gz KKWTXGFESPKSCY-CMSDODITSA-N 2 1 210.321 0.730 20 0 BCADMP CCO[C@@H](C[NH2+]C1CCOCC1)C[NH+](C)C ZINC000922757882 644087618 /nfs/dbraw/zinc/08/76/18/644087618.db2.gz NAXGAIRCOGKYKL-LBPRGKRZSA-N 2 1 230.352 0.722 20 0 BCADMP CC[N@@H+](CCC(N)=O)CC1CC[NH2+]CC1 ZINC000086703190 644166171 /nfs/dbraw/zinc/16/61/71/644166171.db2.gz DSERPLQSHKZBJS-UHFFFAOYSA-N 2 1 213.325 0.183 20 0 BCADMP C[NH+](C)C1(CNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000923014991 644233549 /nfs/dbraw/zinc/23/35/49/644233549.db2.gz HYSAPBPFAAZCQZ-UHFFFAOYSA-N 2 1 240.351 0.038 20 0 BCADMP CCOCCOCC[NH+]1CCC([NH3+])CC1 ZINC000923277170 644306848 /nfs/dbraw/zinc/30/68/48/644306848.db2.gz LPMWEZNEYDIJEU-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277723 644308368 /nfs/dbraw/zinc/30/83/68/644308368.db2.gz RMTWBLNQLVDPIN-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277723 644308379 /nfs/dbraw/zinc/30/83/79/644308379.db2.gz RMTWBLNQLVDPIN-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283692 644308852 /nfs/dbraw/zinc/30/88/52/644308852.db2.gz XKACMPQSBHTVMB-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279155 644310546 /nfs/dbraw/zinc/31/05/46/644310546.db2.gz GNOQKNNOHPDTHS-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923279681 644311153 /nfs/dbraw/zinc/31/11/53/644311153.db2.gz BEDXCEQWMAFGTE-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP [NH3+]CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923278051 644311293 /nfs/dbraw/zinc/31/12/93/644311293.db2.gz WWLHCVFBKNIBFM-UHFFFAOYSA-N 2 1 211.353 0.799 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281784 644313735 /nfs/dbraw/zinc/31/37/35/644313735.db2.gz PPMAFFYJDWXUHF-NWDGAFQWSA-N 2 1 230.352 0.443 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280942 644315747 /nfs/dbraw/zinc/31/57/47/644315747.db2.gz MGJGZRGLUQCCNB-NEPJUHHUSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280942 644315754 /nfs/dbraw/zinc/31/57/54/644315754.db2.gz MGJGZRGLUQCCNB-NEPJUHHUSA-N 2 1 239.363 0.036 20 0 BCADMP COC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923282974 644319118 /nfs/dbraw/zinc/31/91/18/644319118.db2.gz VYZKZAOZLQENDC-LBPRGKRZSA-N 2 1 228.336 0.210 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290193 644323313 /nfs/dbraw/zinc/32/33/13/644323313.db2.gz VLQBYJXREZPXOM-UPJWGTAASA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288382 644323874 /nfs/dbraw/zinc/32/38/74/644323874.db2.gz JJBRQVLXUPZPDT-GRYCIOLGSA-N 2 1 230.352 0.443 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000923289186 644323961 /nfs/dbraw/zinc/32/39/61/644323961.db2.gz GPRYPHSLHSJVQL-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000923289224 644324159 /nfs/dbraw/zinc/32/41/59/644324159.db2.gz HEXXVDRIOKCZHE-VHSXEESVSA-N 2 1 218.366 0.252 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290675 644327497 /nfs/dbraw/zinc/32/74/97/644327497.db2.gz IZVHTPRNTNAVHU-JTQLQIEISA-N 2 1 204.314 0.055 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923292620 644328829 /nfs/dbraw/zinc/32/88/29/644328829.db2.gz XDXAPLNGQBTCQP-GFCCVEGCSA-N 2 1 238.331 0.707 20 0 BCADMP C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923293545 644330160 /nfs/dbraw/zinc/33/01/60/644330160.db2.gz UDNUEOZPSPAVKQ-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923293545 644330164 /nfs/dbraw/zinc/33/01/64/644330164.db2.gz UDNUEOZPSPAVKQ-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294062 644330172 /nfs/dbraw/zinc/33/01/72/644330172.db2.gz FMOIUQAKQYOTRQ-BPCQOVAHSA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923291918 644330182 /nfs/dbraw/zinc/33/01/82/644330182.db2.gz UKNRWNCXSCQKRN-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@](CN)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295966 644332220 /nfs/dbraw/zinc/33/22/20/644332220.db2.gz LQSJXTVJQNJFRQ-NEPJUHHUSA-N 2 1 239.363 0.082 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307174 644337835 /nfs/dbraw/zinc/33/78/35/644337835.db2.gz XYWZTOAPBSPSQX-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP CO[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307172 644338702 /nfs/dbraw/zinc/33/87/02/644338702.db2.gz XYWZTOAPBSPSQX-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP CC[N@@H+](CC(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307871 644338924 /nfs/dbraw/zinc/33/89/24/644338924.db2.gz YJKALAJAKHOPSY-DCAQKATOSA-N 2 1 200.326 0.815 20 0 BCADMP C[N@@H+](CCOCC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314462 644339579 /nfs/dbraw/zinc/33/95/79/644339579.db2.gz IDHHIXJYOOYXHF-SRVKXCTJSA-N 2 1 228.336 0.195 20 0 BCADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304199 644339600 /nfs/dbraw/zinc/33/96/00/644339600.db2.gz OYEHITZWCPGLPY-NSHDSACASA-N 2 1 210.321 0.849 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923318304 644343260 /nfs/dbraw/zinc/34/32/60/644343260.db2.gz ZAYTWCBUTVNZML-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317850 644343638 /nfs/dbraw/zinc/34/36/38/644343638.db2.gz WXUPQDCNZBDLFZ-GHMZBOCLSA-N 2 1 228.336 0.068 20 0 BCADMP OCC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315627 644343898 /nfs/dbraw/zinc/34/38/98/644343898.db2.gz LBLDGKJHKPMFEC-RYUDHWBXSA-N 2 1 240.347 0.069 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317851 644345027 /nfs/dbraw/zinc/34/50/27/644345027.db2.gz WXUPQDCNZBDLFZ-MNOVXSKESA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317158 644345082 /nfs/dbraw/zinc/34/50/82/644345082.db2.gz VBSNDMQZPGRNBM-TUAOUCFPSA-N 2 1 224.348 0.953 20 0 BCADMP C[N@@H+](C[C@H]1CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311656 644347222 /nfs/dbraw/zinc/34/72/22/644347222.db2.gz RPWPVZZZFDJIKD-RHYQMDGZSA-N 2 1 228.336 0.195 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923330422 644349046 /nfs/dbraw/zinc/34/90/46/644349046.db2.gz FDGUIVMZLUIRRA-NEPJUHHUSA-N 2 1 230.352 0.709 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330675 644349577 /nfs/dbraw/zinc/34/95/77/644349577.db2.gz CDHSFNSYCXVAIF-MNOVXSKESA-N 2 1 230.377 0.396 20 0 BCADMP C[N@@H+](Cc1cnccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923321573 644351054 /nfs/dbraw/zinc/35/10/54/644351054.db2.gz FDTMYSUYHIKIQQ-GFCCVEGCSA-N 2 1 248.330 0.287 20 0 BCADMP C[N@H+](Cc1cnccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923321573 644351063 /nfs/dbraw/zinc/35/10/63/644351063.db2.gz FDTMYSUYHIKIQQ-GFCCVEGCSA-N 2 1 248.330 0.287 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333088 644353781 /nfs/dbraw/zinc/35/37/81/644353781.db2.gz TXXSUZMVTSTHCC-UTUOFQBUSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923333736 644354065 /nfs/dbraw/zinc/35/40/65/644354065.db2.gz RYBKWALXXIDWSI-QCNOEVLYSA-N 2 1 244.404 0.770 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923332461 644355388 /nfs/dbraw/zinc/35/53/88/644355388.db2.gz QFRZHEICDZIKAY-GHMZBOCLSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923332461 644355391 /nfs/dbraw/zinc/35/53/91/644355391.db2.gz QFRZHEICDZIKAY-GHMZBOCLSA-N 3 1 211.353 0.798 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923333014 644355499 /nfs/dbraw/zinc/35/54/99/644355499.db2.gz SRJXVXXRERTFPD-NSHDSACASA-N 2 1 244.404 0.786 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334675 644357055 /nfs/dbraw/zinc/35/70/55/644357055.db2.gz JCWDTYODXWZRSN-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331560 644359675 /nfs/dbraw/zinc/35/96/75/644359675.db2.gz MTIOAEDPHOQWRZ-NSHDSACASA-N 2 1 228.336 0.069 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349694 644363183 /nfs/dbraw/zinc/36/31/83/644363183.db2.gz VUTIUBDTGUCGDF-CHWSQXEVSA-N 2 1 244.379 0.835 20 0 BCADMP CC1([NH3+])CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923347104 644365735 /nfs/dbraw/zinc/36/57/35/644365735.db2.gz WGDCRNJRTDSEHZ-NSHDSACASA-N 2 1 239.363 0.178 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923358359 644368264 /nfs/dbraw/zinc/36/82/64/644368264.db2.gz ZDCPJVOBOSBAML-OLZOCXBDSA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923358359 644368266 /nfs/dbraw/zinc/36/82/66/644368266.db2.gz ZDCPJVOBOSBAML-OLZOCXBDSA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356467 644372397 /nfs/dbraw/zinc/37/23/97/644372397.db2.gz ISAIWIJCODTOCG-STQMWFEESA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356467 644372400 /nfs/dbraw/zinc/37/24/00/644372400.db2.gz ISAIWIJCODTOCG-STQMWFEESA-N 2 1 244.379 0.689 20 0 BCADMP C[N@H+](Cc1cccnc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372578 644375494 /nfs/dbraw/zinc/37/54/94/644375494.db2.gz ILJMYGBYHKGLPD-CYBMUJFWSA-N 2 1 247.342 0.892 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923366065 644378085 /nfs/dbraw/zinc/37/80/85/644378085.db2.gz ZDUNZHIDHANVMN-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923366065 644378088 /nfs/dbraw/zinc/37/80/88/644378088.db2.gz ZDUNZHIDHANVMN-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369105 644380539 /nfs/dbraw/zinc/38/05/39/644380539.db2.gz VXSNTQOERVERFT-GHMZBOCLSA-N 3 1 241.379 0.328 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923368503 644380649 /nfs/dbraw/zinc/38/06/49/644380649.db2.gz CYQOYMCMEIKJQI-IRCOFANPSA-N 2 1 230.352 0.360 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923370709 644381442 /nfs/dbraw/zinc/38/14/42/644381442.db2.gz QJVYUNSTWNMHNA-UMSGYPCISA-N 2 1 244.379 0.748 20 0 BCADMP CSC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923360133 644383543 /nfs/dbraw/zinc/38/35/43/644383543.db2.gz WKPUHMWCAHZRSD-NXEZZACHSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923360133 644383550 /nfs/dbraw/zinc/38/35/50/644383550.db2.gz WKPUHMWCAHZRSD-NXEZZACHSA-N 2 1 218.366 0.379 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000923371906 644383570 /nfs/dbraw/zinc/38/35/70/644383570.db2.gz AZFHGNCQIJKWFO-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923371906 644383573 /nfs/dbraw/zinc/38/35/73/644383573.db2.gz AZFHGNCQIJKWFO-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362229 644386643 /nfs/dbraw/zinc/38/66/43/644386643.db2.gz MINUVCUJQCGFRU-SDDRHHMPSA-N 2 1 212.337 0.689 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923363292 644388921 /nfs/dbraw/zinc/38/89/21/644388921.db2.gz QRSJSHLHMMAINS-MCIGGMRASA-N 2 1 230.352 0.584 20 0 BCADMP C[C@H]1CCCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923372899 644389275 /nfs/dbraw/zinc/38/92/75/644389275.db2.gz KJPNNPJLGGCBMM-BJDJZHNGSA-N 2 1 212.337 0.959 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923374817 644389403 /nfs/dbraw/zinc/38/94/03/644389403.db2.gz CSVRVCCZLCOCCM-OUAUKWLOSA-N 2 1 232.393 0.627 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375672 644390208 /nfs/dbraw/zinc/39/02/08/644390208.db2.gz OYEKNWLFCRZLRS-AGIUHOORSA-N 2 1 244.379 0.691 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CCOC(C)C ZINC000923378339 644391746 /nfs/dbraw/zinc/39/17/46/644391746.db2.gz HHKSBVQCTOWTLH-GFCCVEGCSA-N 2 1 232.368 0.704 20 0 BCADMP CC(C)OC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381363 644394629 /nfs/dbraw/zinc/39/46/29/644394629.db2.gz LEONYSQSERLAKD-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP CCOC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380873 644394817 /nfs/dbraw/zinc/39/48/17/644394817.db2.gz JQFQVQWPQFHIQZ-LLVKDONJSA-N 2 1 228.336 0.212 20 0 BCADMP CCOCC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381792 644394821 /nfs/dbraw/zinc/39/48/21/644394821.db2.gz OOXKUIQVAFMJEP-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCO)C1 ZINC000923389925 644396894 /nfs/dbraw/zinc/39/68/94/644396894.db2.gz AGBXOXRNBVBGAS-IJLUTSLNSA-N 2 1 228.336 0.340 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391889 644399590 /nfs/dbraw/zinc/39/95/90/644399590.db2.gz GHGPJMXBKYQURE-IJLUTSLNSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391889 644399594 /nfs/dbraw/zinc/39/95/94/644399594.db2.gz GHGPJMXBKYQURE-IJLUTSLNSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)C[C@@H]1COCCO1 ZINC000923392527 644399927 /nfs/dbraw/zinc/39/99/27/644399927.db2.gz YAFSMQWTEQKZPR-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1COCCO1 ZINC000923392527 644399932 /nfs/dbraw/zinc/39/99/32/644399932.db2.gz YAFSMQWTEQKZPR-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396262 644402648 /nfs/dbraw/zinc/40/26/48/644402648.db2.gz CCBCHKYFSHRSBV-NAKRPEOUSA-N 2 1 212.337 0.815 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000923400686 644406499 /nfs/dbraw/zinc/40/64/99/644406499.db2.gz NAQYUVILPSAQSI-JKOKRWQUSA-N 2 1 248.326 0.601 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3c(O)cccc3C2)C1 ZINC000923400686 644406501 /nfs/dbraw/zinc/40/65/01/644406501.db2.gz NAQYUVILPSAQSI-JKOKRWQUSA-N 2 1 248.326 0.601 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408556 644410796 /nfs/dbraw/zinc/41/07/96/644410796.db2.gz AVAPNTOKOZMAJE-ZJUUUORDSA-N 2 1 204.314 0.053 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408556 644410800 /nfs/dbraw/zinc/41/08/00/644410800.db2.gz AVAPNTOKOZMAJE-ZJUUUORDSA-N 2 1 204.314 0.053 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408555 644411304 /nfs/dbraw/zinc/41/13/04/644411304.db2.gz AVAPNTOKOZMAJE-VHSXEESVSA-N 2 1 204.314 0.053 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408555 644411305 /nfs/dbraw/zinc/41/13/05/644411305.db2.gz AVAPNTOKOZMAJE-VHSXEESVSA-N 2 1 204.314 0.053 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411390 644413716 /nfs/dbraw/zinc/41/37/16/644413716.db2.gz OMVYIVCOWAYJCX-FRRDWIJNSA-N 2 1 244.379 0.547 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923414041 644415634 /nfs/dbraw/zinc/41/56/34/644415634.db2.gz YYTWHWKJODGYAI-WOPDTQHZSA-N 2 1 230.352 0.301 20 0 BCADMP CN(C)[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421901 644416016 /nfs/dbraw/zinc/41/60/16/644416016.db2.gz PDBZMHXKVUFPGQ-RYUDHWBXSA-N 2 1 239.363 0.001 20 0 BCADMP CN(C)[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421901 644416021 /nfs/dbraw/zinc/41/60/21/644416021.db2.gz PDBZMHXKVUFPGQ-RYUDHWBXSA-N 2 1 239.363 0.001 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413908 644416696 /nfs/dbraw/zinc/41/66/96/644416696.db2.gz JWJJLOUAQSJYCH-SRVKXCTJSA-N 2 1 228.336 0.068 20 0 BCADMP CN(C)[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421899 644416884 /nfs/dbraw/zinc/41/68/84/644416884.db2.gz PDBZMHXKVUFPGQ-NWDGAFQWSA-N 2 1 239.363 0.001 20 0 BCADMP CN(C)[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421899 644416887 /nfs/dbraw/zinc/41/68/87/644416887.db2.gz PDBZMHXKVUFPGQ-NWDGAFQWSA-N 2 1 239.363 0.001 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923414039 644417330 /nfs/dbraw/zinc/41/73/30/644417330.db2.gz YYTWHWKJODGYAI-TUAOUCFPSA-N 2 1 230.352 0.301 20 0 BCADMP CCOCCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923414057 644417443 /nfs/dbraw/zinc/41/74/43/644417443.db2.gz ZIMVQCVORQBXIH-VXGBXAGGSA-N 2 1 230.352 0.566 20 0 BCADMP CCOCCOCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923423372 644419632 /nfs/dbraw/zinc/41/96/32/644419632.db2.gz CBQSGEBTFATPGH-QWHCGFSZSA-N 2 1 242.363 0.581 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923423372 644419634 /nfs/dbraw/zinc/41/96/34/644419634.db2.gz CBQSGEBTFATPGH-QWHCGFSZSA-N 2 1 242.363 0.581 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923425652 644419854 /nfs/dbraw/zinc/41/98/54/644419854.db2.gz KHUZQQKMDAYNOS-SRVKXCTJSA-N 3 1 229.368 0.288 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000923481331 644458443 /nfs/dbraw/zinc/45/84/43/644458443.db2.gz PQLYADYITFHYMS-LLVKDONJSA-N 2 1 234.347 1.000 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000923480873 644458499 /nfs/dbraw/zinc/45/84/99/644458499.db2.gz LROOFNPBQUESFS-SNVBAGLBSA-N 2 1 220.320 0.835 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923480994 644459431 /nfs/dbraw/zinc/45/94/31/644459431.db2.gz NJHVRIGCIJBJKA-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000923482386 644460384 /nfs/dbraw/zinc/46/03/84/644460384.db2.gz ZJCCWTSYYFRCMN-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485154 644461729 /nfs/dbraw/zinc/46/17/29/644461729.db2.gz PIEXMPDSNJDYDG-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484808 644462257 /nfs/dbraw/zinc/46/22/57/644462257.db2.gz NLOJGAJCCOOHPZ-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495950 644462312 /nfs/dbraw/zinc/46/23/12/644462312.db2.gz FJNZCJFLGIMDDU-GARJFASQSA-N 2 1 228.336 0.855 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923495494 644462325 /nfs/dbraw/zinc/46/23/25/644462325.db2.gz WHWDZLCVXLGYNU-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485152 644463109 /nfs/dbraw/zinc/46/31/09/644463109.db2.gz PIEXMPDSNJDYDG-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495948 644463307 /nfs/dbraw/zinc/46/33/07/644463307.db2.gz FJNZCJFLGIMDDU-DCAQKATOSA-N 2 1 228.336 0.855 20 0 BCADMP C[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923489428 644465839 /nfs/dbraw/zinc/46/58/39/644465839.db2.gz JXFSYXWQSJSPKQ-NWDGAFQWSA-N 2 1 236.363 0.879 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923491420 644466410 /nfs/dbraw/zinc/46/64/10/644466410.db2.gz RVLZCNLNBKUDSG-QWRGUYRKSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923491420 644466418 /nfs/dbraw/zinc/46/64/18/644466418.db2.gz RVLZCNLNBKUDSG-QWRGUYRKSA-N 2 1 237.351 0.715 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492864 644466974 /nfs/dbraw/zinc/46/69/74/644466974.db2.gz QKYNHINYOJWDOQ-XQQFMLRXSA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923491537 644467466 /nfs/dbraw/zinc/46/74/66/644467466.db2.gz SQUZYMMGRMRLDD-NEPJUHHUSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1C[NH3+] ZINC000923491514 644468184 /nfs/dbraw/zinc/46/81/84/644468184.db2.gz SNVDKYVNHNARGU-UTUOFQBUSA-N 2 1 249.362 0.682 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492372 644468721 /nfs/dbraw/zinc/46/87/21/644468721.db2.gz NZICQUAHMANFHC-OUAUKWLOSA-N 2 1 232.393 0.627 20 0 BCADMP C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1C[NH3+] ZINC000923495049 644471001 /nfs/dbraw/zinc/47/10/01/644471001.db2.gz SNNSVPFJZWUADM-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1C[NH3+] ZINC000923495049 644471006 /nfs/dbraw/zinc/47/10/06/644471006.db2.gz SNNSVPFJZWUADM-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1C[NH3+] ZINC000923500421 644472735 /nfs/dbraw/zinc/47/27/35/644472735.db2.gz QEJADYRRPILGAG-YPMHNXCESA-N 2 1 249.358 0.802 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515377 644479001 /nfs/dbraw/zinc/47/90/01/644479001.db2.gz FEPCVXJATMOBHI-HBNTYKKESA-N 2 1 230.377 0.252 20 0 BCADMP CC(C)OC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515570 644480816 /nfs/dbraw/zinc/48/08/16/644480816.db2.gz HIXSFIIFNBQTNU-XQQFMLRXSA-N 2 1 242.363 0.314 20 0 BCADMP OC[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923531069 644487783 /nfs/dbraw/zinc/48/77/83/644487783.db2.gz ORFPBINDPORBMO-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000923552956 644493967 /nfs/dbraw/zinc/49/39/67/644493967.db2.gz GCXSPJVZEZIUNA-LBPRGKRZSA-N 2 1 228.336 0.463 20 0 BCADMP COC[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923558329 644498397 /nfs/dbraw/zinc/49/83/97/644498397.db2.gz QWRBEGCPAYJRBX-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000087766631 644500767 /nfs/dbraw/zinc/50/07/67/644500767.db2.gz UTYFGDGUQAMLQQ-NSHDSACASA-N 2 1 222.336 0.504 20 0 BCADMP COC[C@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000923557689 644502339 /nfs/dbraw/zinc/50/23/39/644502339.db2.gz NGUILWRUJSSDHI-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000088133845 644511204 /nfs/dbraw/zinc/51/12/04/644511204.db2.gz FNHOJSOHWWZNEK-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000250350967 644754832 /nfs/dbraw/zinc/75/48/32/644754832.db2.gz JMVWTCCPTRLTHU-HBNTYKKESA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250459145 644759273 /nfs/dbraw/zinc/75/92/73/644759273.db2.gz KGMDMWMPEZVAGN-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000250897300 644785416 /nfs/dbraw/zinc/78/54/16/644785416.db2.gz AEMGIWIKYPJNER-ZJUUUORDSA-N 2 1 212.293 0.363 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251077207 644791125 /nfs/dbraw/zinc/79/11/25/644791125.db2.gz GQBHOHPUYSKNJL-VWYCJHECSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251126748 644794267 /nfs/dbraw/zinc/79/42/67/644794267.db2.gz SKFUAKMUYACBNJ-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251126748 644794271 /nfs/dbraw/zinc/79/42/71/644794271.db2.gz SKFUAKMUYACBNJ-QJPTWQEYSA-N 2 1 212.337 0.974 20 0 BCADMP OC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251460642 644804159 /nfs/dbraw/zinc/80/41/59/644804159.db2.gz UQSBAUOFSIBDTN-NEPJUHHUSA-N 2 1 212.337 0.833 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304334585 644893500 /nfs/dbraw/zinc/89/35/00/644893500.db2.gz ICSFPLKSXOYREI-QWRGUYRKSA-N 2 1 225.336 0.182 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@@H]21 ZINC000252841271 644914046 /nfs/dbraw/zinc/91/40/46/644914046.db2.gz BYXUVDIVVTWQJG-YTWAJWBKSA-N 2 1 224.304 0.361 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[NH3+] ZINC000834521778 645142831 /nfs/dbraw/zinc/14/28/31/645142831.db2.gz SQVCFGHUPQDBQJ-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000843078046 645262000 /nfs/dbraw/zinc/26/20/00/645262000.db2.gz JSGSWNDFBSYNLM-OLZOCXBDSA-N 2 1 238.331 0.198 20 0 BCADMP CC[NH2+]CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000844188474 645315930 /nfs/dbraw/zinc/31/59/30/645315930.db2.gz UMSGIQHJFLRHTQ-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000844187011 645317311 /nfs/dbraw/zinc/31/73/11/645317311.db2.gz BEZPWUWLZMVXOA-YPMHNXCESA-N 2 1 239.363 0.444 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)N1 ZINC000852753511 645488945 /nfs/dbraw/zinc/48/89/45/645488945.db2.gz CMOIALHNYDZNSG-LLVKDONJSA-N 2 1 249.358 0.856 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)CCO)C[NH+](C)C ZINC000926959972 645498497 /nfs/dbraw/zinc/49/84/97/645498497.db2.gz LJSVQOAZAAHWDN-WDEREUQCSA-N 2 1 218.341 0.314 20 0 BCADMP CCO[C@H](C[NH2+]C1CCC(O)CC1)C[NH+](C)C ZINC000926963894 645502939 /nfs/dbraw/zinc/50/29/39/645502939.db2.gz VRTCXLQIIZYKAI-WXRRBKDZSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925488300 645508856 /nfs/dbraw/zinc/50/88/56/645508856.db2.gz RHBZHZULNJFUPY-GHMZBOCLSA-N 2 1 209.337 0.565 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429759 645734751 /nfs/dbraw/zinc/73/47/51/645734751.db2.gz RVTLXEODLYPVEC-KXUCPTDWSA-N 2 1 213.325 0.145 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000928428231 645739848 /nfs/dbraw/zinc/73/98/48/645739848.db2.gz VUVVBODZGLHZGS-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928425113 645742766 /nfs/dbraw/zinc/74/27/66/645742766.db2.gz HBSOCWRSQABMFL-DCAQKATOSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000928427397 645743384 /nfs/dbraw/zinc/74/33/84/645743384.db2.gz JYPJTXNQMRDZSE-QWRGUYRKSA-N 2 1 237.347 0.291 20 0 BCADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928436437 645757697 /nfs/dbraw/zinc/75/76/97/645757697.db2.gz GCJIPUCYEWADAZ-SDDRHHMPSA-N 2 1 241.379 0.781 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928454358 645778418 /nfs/dbraw/zinc/77/84/18/645778418.db2.gz ZAPKEAVCHOJOAS-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928454358 645778424 /nfs/dbraw/zinc/77/84/24/645778424.db2.gz ZAPKEAVCHOJOAS-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928454358 645778431 /nfs/dbraw/zinc/77/84/31/645778431.db2.gz ZAPKEAVCHOJOAS-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928454358 645778435 /nfs/dbraw/zinc/77/84/35/645778435.db2.gz ZAPKEAVCHOJOAS-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](CC)CC ZINC000928562196 645821178 /nfs/dbraw/zinc/82/11/78/645821178.db2.gz GZMUWOBATYBMDS-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](CC)CC ZINC000928562196 645821180 /nfs/dbraw/zinc/82/11/80/645821180.db2.gz GZMUWOBATYBMDS-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839498 645891253 /nfs/dbraw/zinc/89/12/53/645891253.db2.gz GBZJLBLECCPVBA-MROQNXINSA-N 2 1 222.332 0.707 20 0 BCADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839498 645891257 /nfs/dbraw/zinc/89/12/57/645891257.db2.gz GBZJLBLECCPVBA-MROQNXINSA-N 2 1 222.332 0.707 20 0 BCADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839497 645891516 /nfs/dbraw/zinc/89/15/16/645891516.db2.gz GBZJLBLECCPVBA-FVCCEPFGSA-N 2 1 222.332 0.707 20 0 BCADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839497 645891518 /nfs/dbraw/zinc/89/15/18/645891518.db2.gz GBZJLBLECCPVBA-FVCCEPFGSA-N 2 1 222.332 0.707 20 0 BCADMP C[NH+](C)C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929263843 646046412 /nfs/dbraw/zinc/04/64/12/646046412.db2.gz OJXAYPPAYIVGQS-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000924653217 646085347 /nfs/dbraw/zinc/08/53/47/646085347.db2.gz HTXKVYOOYYFCHC-NEPJUHHUSA-N 2 1 230.352 0.579 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924657952 646086426 /nfs/dbraw/zinc/08/64/26/646086426.db2.gz XPGZGBFWQVGVAL-LBPRGKRZSA-N 2 1 246.395 0.951 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CO)CC1 ZINC000929471297 646130722 /nfs/dbraw/zinc/13/07/22/646130722.db2.gz SZAJCCXWOSRHHY-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CO)CC1 ZINC000929471297 646130727 /nfs/dbraw/zinc/13/07/27/646130727.db2.gz SZAJCCXWOSRHHY-GFCCVEGCSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@H+]1CCC[C@@H](CN[C@@H]2C(=O)NCC2(C)C)C1 ZINC000925011569 646156847 /nfs/dbraw/zinc/15/68/47/646156847.db2.gz QVJNIKYTHGLEIO-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000925011569 646156859 /nfs/dbraw/zinc/15/68/59/646156859.db2.gz QVJNIKYTHGLEIO-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@H](CO)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638031 646215631 /nfs/dbraw/zinc/21/56/31/646215631.db2.gz UHTKDCVYXBFSIX-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000929639544 646215951 /nfs/dbraw/zinc/21/59/51/646215951.db2.gz POBUJALVSDZHBL-RYUDHWBXSA-N 2 1 242.363 0.146 20 0 BCADMP CC[C@H](CO)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638027 646216149 /nfs/dbraw/zinc/21/61/49/646216149.db2.gz UHTKDCVYXBFSIX-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000929639546 646216181 /nfs/dbraw/zinc/21/61/81/646216181.db2.gz POBUJALVSDZHBL-VXGBXAGGSA-N 2 1 242.363 0.146 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637702 646217165 /nfs/dbraw/zinc/21/71/65/646217165.db2.gz MZLKBSNEGIFNSN-NSHDSACASA-N 2 1 230.352 0.531 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929656812 646225244 /nfs/dbraw/zinc/22/52/44/646225244.db2.gz HYWSKSZQBYOMST-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929656812 646225246 /nfs/dbraw/zinc/22/52/46/646225246.db2.gz HYWSKSZQBYOMST-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719491 646271312 /nfs/dbraw/zinc/27/13/12/646271312.db2.gz OSYBBPVPGLIKAD-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719491 646271317 /nfs/dbraw/zinc/27/13/17/646271317.db2.gz OSYBBPVPGLIKAD-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779147 646305669 /nfs/dbraw/zinc/30/56/69/646305669.db2.gz DUYZYUMDCAWYAI-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779147 646305673 /nfs/dbraw/zinc/30/56/73/646305673.db2.gz DUYZYUMDCAWYAI-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779147 646305676 /nfs/dbraw/zinc/30/56/76/646305676.db2.gz DUYZYUMDCAWYAI-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779153 646307635 /nfs/dbraw/zinc/30/76/35/646307635.db2.gz DUYZYUMDCAWYAI-UTUOFQBUSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779153 646307641 /nfs/dbraw/zinc/30/76/41/646307641.db2.gz DUYZYUMDCAWYAI-UTUOFQBUSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779153 646307646 /nfs/dbraw/zinc/30/76/46/646307646.db2.gz DUYZYUMDCAWYAI-UTUOFQBUSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CO)C[C@H]1C ZINC000929779153 646307649 /nfs/dbraw/zinc/30/76/49/646307649.db2.gz DUYZYUMDCAWYAI-UTUOFQBUSA-N 2 1 230.352 0.144 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCC1=O ZINC000925510592 646308104 /nfs/dbraw/zinc/30/81/04/646308104.db2.gz XSFVYUSPMVSTOP-MNOVXSKESA-N 2 1 237.347 0.481 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782906 646308618 /nfs/dbraw/zinc/30/86/18/646308618.db2.gz MZMFJNWYVNYFRS-FIQHERPVSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782906 646308622 /nfs/dbraw/zinc/30/86/22/646308622.db2.gz MZMFJNWYVNYFRS-FIQHERPVSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782906 646308627 /nfs/dbraw/zinc/30/86/27/646308627.db2.gz MZMFJNWYVNYFRS-FIQHERPVSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782906 646308631 /nfs/dbraw/zinc/30/86/31/646308631.db2.gz MZMFJNWYVNYFRS-FIQHERPVSA-N 2 1 230.352 0.143 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCn1ccnc1 ZINC000925510748 646308669 /nfs/dbraw/zinc/30/86/69/646308669.db2.gz YFNIZFWIEHKBHD-SNVBAGLBSA-N 2 1 208.309 0.613 20 0 BCADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929779283 646309882 /nfs/dbraw/zinc/30/98/82/646309882.db2.gz YNMQEMHKNMIKLM-WCQYABFASA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929779283 646309889 /nfs/dbraw/zinc/30/98/89/646309889.db2.gz YNMQEMHKNMIKLM-WCQYABFASA-N 2 1 244.379 0.534 20 0 BCADMP CCc1nncn1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925517781 646312519 /nfs/dbraw/zinc/31/25/19/646312519.db2.gz WRPIVXVJFNEAAY-JTQLQIEISA-N 2 1 237.351 0.571 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CCOCC1 ZINC000925526683 646317776 /nfs/dbraw/zinc/31/77/76/646317776.db2.gz OJAZAOSPORAOJB-NWDGAFQWSA-N 2 1 241.379 0.437 20 0 BCADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925530173 646320627 /nfs/dbraw/zinc/32/06/27/646320627.db2.gz OUMQKYZBVHRNFP-SNVBAGLBSA-N 2 1 210.321 0.633 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925543983 646323534 /nfs/dbraw/zinc/32/35/34/646323534.db2.gz PAIBTRIJKIWXJI-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP C1C[N@H+]2CCCC[C@H]2[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553551 646331383 /nfs/dbraw/zinc/33/13/83/646331383.db2.gz QQEUUUMSZQXQDS-AVGNSLFASA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565738 646331614 /nfs/dbraw/zinc/33/16/14/646331614.db2.gz XKHSXDNVUZCYFI-WDEREUQCSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925582219 646347600 /nfs/dbraw/zinc/34/76/00/646347600.db2.gz CYBAHMTYIQSIQS-MVWJERBFSA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(N)=O ZINC000925600722 646352653 /nfs/dbraw/zinc/35/26/53/646352653.db2.gz IDMBPSUIYXWXNI-SNVBAGLBSA-N 2 1 239.363 0.762 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925605233 646358263 /nfs/dbraw/zinc/35/82/63/646358263.db2.gz DJQBUYNWAOYBMA-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925612093 646359128 /nfs/dbraw/zinc/35/91/28/646359128.db2.gz ILDGFFCFPIKRRC-YNEHKIRRSA-N 2 1 244.379 0.750 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925609928 646360469 /nfs/dbraw/zinc/36/04/69/646360469.db2.gz BPWZSMAFALRTDH-CMPLNLGQSA-N 2 1 230.352 0.504 20 0 BCADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925616170 646362792 /nfs/dbraw/zinc/36/27/92/646362792.db2.gz KQZUVMHUIJEAOQ-NSHDSACASA-N 2 1 240.347 0.260 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000925616019 646365398 /nfs/dbraw/zinc/36/53/98/646365398.db2.gz JYLLASILNGCRLA-LLVKDONJSA-N 2 1 242.363 0.506 20 0 BCADMP CC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925621561 646366624 /nfs/dbraw/zinc/36/66/24/646366624.db2.gz FFQXNEKLANLCGN-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP C[N@@H+]1CCO[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925621391 646367935 /nfs/dbraw/zinc/36/79/35/646367935.db2.gz KURTUBLYXIDUHU-NWDGAFQWSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCO[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925621391 646367938 /nfs/dbraw/zinc/36/79/38/646367938.db2.gz KURTUBLYXIDUHU-NWDGAFQWSA-N 2 1 239.363 0.191 20 0 BCADMP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925623819 646370379 /nfs/dbraw/zinc/37/03/79/646370379.db2.gz SYJSJHFJVQRMPY-LLVKDONJSA-N 3 1 241.379 0.173 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925625094 646372649 /nfs/dbraw/zinc/37/26/49/646372649.db2.gz APIVSCYTIMXIHC-RYUDHWBXSA-N 2 1 242.363 0.648 20 0 BCADMP C[N@@H+]1CC=C(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634385 646378714 /nfs/dbraw/zinc/37/87/14/646378714.db2.gz HVWMCOZWJDQYAY-LBPRGKRZSA-N 2 1 223.364 0.978 20 0 BCADMP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634385 646378716 /nfs/dbraw/zinc/37/87/16/646378716.db2.gz HVWMCOZWJDQYAY-LBPRGKRZSA-N 3 1 223.364 0.978 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634385 646378722 /nfs/dbraw/zinc/37/87/22/646378722.db2.gz HVWMCOZWJDQYAY-LBPRGKRZSA-N 3 1 223.364 0.978 20 0 BCADMP Cn1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925640654 646382004 /nfs/dbraw/zinc/38/20/04/646382004.db2.gz UCJBILLVAMAXRE-NSHDSACASA-N 2 1 222.336 0.693 20 0 BCADMP Cn1c[nH+]cc1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925641220 646382630 /nfs/dbraw/zinc/38/26/30/646382630.db2.gz BGYMRRFAEQBOLT-LLVKDONJSA-N 2 1 222.336 0.693 20 0 BCADMP C[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925652603 646392777 /nfs/dbraw/zinc/39/27/77/646392777.db2.gz GIXNEQDXDMAWSX-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686352 646413275 /nfs/dbraw/zinc/41/32/75/646413275.db2.gz UNXGRQFNXGKKBG-UKKRHICBSA-N 2 1 225.336 0.371 20 0 BCADMP O[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925695297 646420128 /nfs/dbraw/zinc/42/01/28/646420128.db2.gz VTZKYDKTASIWFW-BJNKXCLLSA-N 2 1 208.305 0.096 20 0 BCADMP Cn1cnc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925696914 646421947 /nfs/dbraw/zinc/42/19/47/646421947.db2.gz VQGCKLVUTSJWHK-LLVKDONJSA-N 2 1 222.336 0.693 20 0 BCADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925698987 646423247 /nfs/dbraw/zinc/42/32/47/646423247.db2.gz MIVCDBFAONRBDC-GFCCVEGCSA-N 3 1 221.348 0.780 20 0 BCADMP N[C@@H](C[NH2+]C1[C@@H]2CC[C@H]1CC([NH3+])C2)C1CC1 ZINC000925699456 646423905 /nfs/dbraw/zinc/42/39/05/646423905.db2.gz OXHBDIYNMHCFSD-SZQBSXBZSA-N 2 1 223.364 0.829 20 0 BCADMP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925709688 646435045 /nfs/dbraw/zinc/43/50/45/646435045.db2.gz PSSQIRDJGJWCPP-GRYCIOLGSA-N 2 1 223.364 0.988 20 0 BCADMP CO[C@@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925711524 646437389 /nfs/dbraw/zinc/43/73/89/646437389.db2.gz MNPWVPIDFXRMQN-DCHHYWPUSA-N 2 1 210.321 0.607 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000925719029 646438069 /nfs/dbraw/zinc/43/80/69/646438069.db2.gz PWGYQVRGVHXNSE-QWRGUYRKSA-N 2 1 215.341 0.082 20 0 BCADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)[C@H]1CCOC1 ZINC000925712645 646439245 /nfs/dbraw/zinc/43/92/45/646439245.db2.gz ICCCLDCSWMFUDZ-WUHRBBMRSA-N 2 1 242.363 0.768 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717150 646441071 /nfs/dbraw/zinc/44/10/71/646441071.db2.gz FOFOPVLXGPZCEY-AEJSXWLSSA-N 2 1 241.335 0.254 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925718366 646442419 /nfs/dbraw/zinc/44/24/19/646442419.db2.gz HLJGJWLKTUAWDG-LBPRGKRZSA-N 3 1 241.379 0.487 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000925719108 646444184 /nfs/dbraw/zinc/44/41/84/646444184.db2.gz OIMJNYSNROIZNQ-WOPDTQHZSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170624 646473416 /nfs/dbraw/zinc/47/34/16/646473416.db2.gz CBHKLPHIBFBKNF-NEPJUHHUSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170624 646473423 /nfs/dbraw/zinc/47/34/23/646473423.db2.gz CBHKLPHIBFBKNF-NEPJUHHUSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925782220 646478769 /nfs/dbraw/zinc/47/87/69/646478769.db2.gz ISHVVKJPPCSIPZ-WISYIIOYSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)(C)n1cncn1 ZINC000925787127 646482949 /nfs/dbraw/zinc/48/29/49/646482949.db2.gz XGMKFRGHEOBRNN-GMTAPVOTSA-N 2 1 237.351 0.599 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791483 646485524 /nfs/dbraw/zinc/48/55/24/646485524.db2.gz QWZLUYVVQQBSHP-NMKXLXIOSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791483 646485528 /nfs/dbraw/zinc/48/55/28/646485528.db2.gz QWZLUYVVQQBSHP-NMKXLXIOSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925797625 646486414 /nfs/dbraw/zinc/48/64/14/646486414.db2.gz URUMYBRFPJRFMK-UBRSESRLSA-N 2 1 249.402 0.818 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925797024 646486573 /nfs/dbraw/zinc/48/65/73/646486573.db2.gz SVRCGQWZYAQNKD-FDYHWXHSSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnnn1C ZINC000925814541 646492395 /nfs/dbraw/zinc/49/23/95/646492395.db2.gz NCAUMUCOEHGFGJ-UWVGGRQHSA-N 2 1 246.318 0.677 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925822928 646497269 /nfs/dbraw/zinc/49/72/69/646497269.db2.gz MGQRAUFAJGSTKH-IDWGSYCQSA-N 2 1 225.336 0.228 20 0 BCADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000925839178 646506183 /nfs/dbraw/zinc/50/61/83/646506183.db2.gz GWJKLFPZEZWLSN-CYZMBNFOSA-N 3 1 223.364 0.716 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925838723 646507095 /nfs/dbraw/zinc/50/70/95/646507095.db2.gz NQIDZBHAMOMXLW-MXWKQRLJSA-N 2 1 225.336 0.100 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CNOC1)[NH2+]2 ZINC000925858858 646512770 /nfs/dbraw/zinc/51/27/70/646512770.db2.gz DHERHYKXLAGNMA-QGKZMRNZSA-N 2 1 211.309 0.008 20 0 BCADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CNOC1)[NH2+]2 ZINC000925863653 646515948 /nfs/dbraw/zinc/51/59/48/646515948.db2.gz DHERHYKXLAGNMA-MFDAYCCISA-N 2 1 211.309 0.008 20 0 BCADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925865431 646517912 /nfs/dbraw/zinc/51/79/12/646517912.db2.gz QVZOJLFUAZUDGM-TUAOUCFPSA-N 2 1 227.352 0.790 20 0 BCADMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C)n1 ZINC000926252547 646605981 /nfs/dbraw/zinc/60/59/81/646605981.db2.gz FMLWGUPCJMRKPR-JTQLQIEISA-N 2 1 241.339 0.044 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)N1CC[C@H](CC[NH3+])C1 ZINC000926383133 646629512 /nfs/dbraw/zinc/62/95/12/646629512.db2.gz QYNBQWNUMIVGKF-STQMWFEESA-N 2 1 240.395 0.598 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000926383129 646629700 /nfs/dbraw/zinc/62/97/00/646629700.db2.gz QYNBQWNUMIVGKF-OLZOCXBDSA-N 2 1 240.395 0.598 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CC[NH3+] ZINC000723882416 711543448 /nfs/dbraw/zinc/54/34/48/711543448.db2.gz HSYCFZLDWMDBRT-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000724887070 711625699 /nfs/dbraw/zinc/62/56/99/711625699.db2.gz NPEFJSOVPXBIHV-UMSGYPCISA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000724887070 711625703 /nfs/dbraw/zinc/62/57/03/711625703.db2.gz NPEFJSOVPXBIHV-UMSGYPCISA-N 2 1 242.363 0.863 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724924586 711629431 /nfs/dbraw/zinc/62/94/31/711629431.db2.gz YGQCGHKTVVZWJG-STQMWFEESA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCOC2)CC[N@H+]1C ZINC000724934679 711631004 /nfs/dbraw/zinc/63/10/04/711631004.db2.gz DPFRHHFHQNJYLL-FRRDWIJNSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000724916772 711627557 /nfs/dbraw/zinc/62/75/57/711627557.db2.gz WETGSTQTJCKQJY-LBPRGKRZSA-N 2 1 228.336 0.476 20 0 BCADMP [NH3+]CCCCCC[N@@H+](CCO)C1CC1 ZINC000395398672 711694138 /nfs/dbraw/zinc/69/41/38/711694138.db2.gz RVCRIEJNCRBQKO-UHFFFAOYSA-N 2 1 200.326 0.962 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC1(C)C)C1CC1 ZINC000379900372 711905342 /nfs/dbraw/zinc/90/53/42/711905342.db2.gz FGOUWUVTMWADKK-MNOVXSKESA-N 2 1 212.337 0.830 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC1(C)C)C1CC1 ZINC000379900372 711905346 /nfs/dbraw/zinc/90/53/46/711905346.db2.gz FGOUWUVTMWADKK-MNOVXSKESA-N 2 1 212.337 0.830 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700403924 711992352 /nfs/dbraw/zinc/99/23/52/711992352.db2.gz QJBPHKPCFFMCKJ-QWHCGFSZSA-N 2 1 239.363 0.587 20 0 BCADMP CCO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000701782113 712028667 /nfs/dbraw/zinc/02/86/67/712028667.db2.gz IPTQQFCCTWFNNX-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCCO ZINC000702672615 712059867 /nfs/dbraw/zinc/05/98/67/712059867.db2.gz ZQFJLVMVUPWINJ-MNOVXSKESA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCCCO ZINC000702672615 712059868 /nfs/dbraw/zinc/05/98/68/712059868.db2.gz ZQFJLVMVUPWINJ-MNOVXSKESA-N 2 1 200.326 0.961 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500496 712077379 /nfs/dbraw/zinc/07/73/79/712077379.db2.gz CMCRPYCHMOTGMG-VQXHTEKXSA-N 2 1 225.336 0.324 20 0 BCADMP C[NH+]1C[C@]2(C)C[NH+](CCCO)C[C@@]2(C)C1 ZINC000705657886 712135246 /nfs/dbraw/zinc/13/52/46/712135246.db2.gz HGTLPHZLLQDWKK-VXGBXAGGSA-N 2 1 212.337 0.642 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000706766034 712154968 /nfs/dbraw/zinc/15/49/68/712154968.db2.gz BTWHWGMECDJISO-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000706766034 712154969 /nfs/dbraw/zinc/15/49/69/712154969.db2.gz BTWHWGMECDJISO-GRYCIOLGSA-N 2 1 212.337 0.783 20 0 BCADMP COCC(COC)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709055666 712207112 /nfs/dbraw/zinc/20/71/12/712207112.db2.gz IZUSTBOUZIITNW-LLVKDONJSA-N 2 1 230.352 0.851 20 0 BCADMP COCC(COC)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709055666 712207118 /nfs/dbraw/zinc/20/71/18/712207118.db2.gz IZUSTBOUZIITNW-LLVKDONJSA-N 2 1 230.352 0.851 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@H+](C)C1)[NH2+]2 ZINC000709430411 712221845 /nfs/dbraw/zinc/22/18/45/712221845.db2.gz AJSODDFUPLXUCR-KSSYENDESA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@@H+](C)C1)[NH2+]2 ZINC000709430411 712221846 /nfs/dbraw/zinc/22/18/46/712221846.db2.gz AJSODDFUPLXUCR-KSSYENDESA-N 2 1 223.364 0.809 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871628 712260582 /nfs/dbraw/zinc/26/05/82/712260582.db2.gz UYDDPGNVGBUFLM-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP C[NH+](C)CC1(O)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000710588592 712263332 /nfs/dbraw/zinc/26/33/32/712263332.db2.gz LYGQLPHTRDYOTE-UHFFFAOYSA-N 2 1 238.335 0.298 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000922907345 712285669 /nfs/dbraw/zinc/28/56/69/712285669.db2.gz HPDIOLWQEWZAAX-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000922907345 712285671 /nfs/dbraw/zinc/28/56/71/712285671.db2.gz HPDIOLWQEWZAAX-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711312465 712293752 /nfs/dbraw/zinc/29/37/52/712293752.db2.gz WCDQOWFTUWRSDE-LLVKDONJSA-N 2 1 239.363 0.396 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479516 712334330 /nfs/dbraw/zinc/33/43/30/712334330.db2.gz QRPONVQCTNANSP-NSHDSACASA-N 2 1 237.351 0.777 20 0 BCADMP C[N@H+]1CCN(C(=O)CCC[NH3+])CCC1(C)C ZINC000712667717 712439822 /nfs/dbraw/zinc/43/98/22/712439822.db2.gz CJDGNNFLRJGFCB-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CCn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000714425432 712486319 /nfs/dbraw/zinc/48/63/19/712486319.db2.gz CYEYKUATGPFZTO-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP CC(C)(C[NH3+])C1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000714440352 712488937 /nfs/dbraw/zinc/48/89/37/712488937.db2.gz SOKFDULZLHLEOQ-LLVKDONJSA-N 2 1 240.347 0.999 20 0 BCADMP CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000714715658 712496557 /nfs/dbraw/zinc/49/65/57/712496557.db2.gz VSZRCRZNBWJPPP-RAIGVLPGSA-N 2 1 242.363 0.456 20 0 BCADMP CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714715658 712496558 /nfs/dbraw/zinc/49/65/58/712496558.db2.gz VSZRCRZNBWJPPP-RAIGVLPGSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@H+](CCCF)C[C@H](O)C[NH+]1CCCC1 ZINC000716748696 712571904 /nfs/dbraw/zinc/57/19/04/712571904.db2.gz RVENWHCAPJCTHW-NSHDSACASA-N 2 1 218.316 0.735 20 0 BCADMP C[N@@H+](CCCF)C[C@H](O)C[NH+]1CCCC1 ZINC000716748696 712571905 /nfs/dbraw/zinc/57/19/05/712571905.db2.gz RVENWHCAPJCTHW-NSHDSACASA-N 2 1 218.316 0.735 20 0 BCADMP CC[N@H+](CC(=O)NC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719255228 712802256 /nfs/dbraw/zinc/80/22/56/712802256.db2.gz RIOIGIUNANIILC-YOGCLGLASA-N 2 1 239.363 0.585 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)nn1 ZINC000720576833 712853305 /nfs/dbraw/zinc/85/33/05/712853305.db2.gz GUJNEJCGYQDASQ-LLVKDONJSA-N 2 1 220.320 0.874 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)nn1 ZINC000720576833 712853307 /nfs/dbraw/zinc/85/33/07/712853307.db2.gz GUJNEJCGYQDASQ-LLVKDONJSA-N 2 1 220.320 0.874 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720900786 712875394 /nfs/dbraw/zinc/87/53/94/712875394.db2.gz QTKCCNNRRIXYSY-OUAUKWLOSA-N 2 1 225.336 0.419 20 0 BCADMP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932974 712879815 /nfs/dbraw/zinc/87/98/15/712879815.db2.gz YVPIOFHKKYITSK-GRYCIOLGSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932974 712879816 /nfs/dbraw/zinc/87/98/16/712879816.db2.gz YVPIOFHKKYITSK-GRYCIOLGSA-N 2 1 210.321 0.849 20 0 BCADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000721156040 712892676 /nfs/dbraw/zinc/89/26/76/712892676.db2.gz ZFDQQNSVNZZZLE-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721177684 712896085 /nfs/dbraw/zinc/89/60/85/712896085.db2.gz QREUPINESHDQQR-NEPJUHHUSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721177684 712896087 /nfs/dbraw/zinc/89/60/87/712896087.db2.gz QREUPINESHDQQR-NEPJUHHUSA-N 2 1 224.348 0.974 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380393113 712900412 /nfs/dbraw/zinc/90/04/12/712900412.db2.gz FPENKYYIFUGOHM-GRYCIOLGSA-N 2 1 210.321 0.395 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380393113 712900413 /nfs/dbraw/zinc/90/04/13/712900413.db2.gz FPENKYYIFUGOHM-GRYCIOLGSA-N 2 1 210.321 0.395 20 0 BCADMP CC[N@H+](CCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000380456066 712901145 /nfs/dbraw/zinc/90/11/45/712901145.db2.gz JGMKFYIPTJEZLE-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CC[N@@H+](CCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000380456066 712901146 /nfs/dbraw/zinc/90/11/46/712901146.db2.gz JGMKFYIPTJEZLE-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC[NH3+] ZINC000381839917 710733023 /nfs/dbraw/zinc/73/30/23/710733023.db2.gz STZOPVOZNICFCO-UWVGGRQHSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CC[NH3+] ZINC000723890359 710733434 /nfs/dbraw/zinc/73/34/34/710733434.db2.gz DMQXPZOSBCBEMT-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[C@H](C[N@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054916 710753503 /nfs/dbraw/zinc/75/35/03/710753503.db2.gz JDZNBMUQRQBRSB-VXGBXAGGSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054916 710753507 /nfs/dbraw/zinc/75/35/07/710753507.db2.gz JDZNBMUQRQBRSB-VXGBXAGGSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000380525863 712901323 /nfs/dbraw/zinc/90/13/23/712901323.db2.gz WCFDAODIURFZIU-KXNHARMFSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000380525863 712901324 /nfs/dbraw/zinc/90/13/24/712901324.db2.gz WCFDAODIURFZIU-KXNHARMFSA-N 2 1 212.337 0.951 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382068241 710773234 /nfs/dbraw/zinc/77/32/34/710773234.db2.gz RNWSOMXWKKHEDC-KTWSDMTRSA-N 2 1 210.321 0.343 20 0 BCADMP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000383029931 710841747 /nfs/dbraw/zinc/84/17/47/710841747.db2.gz LGUCVTPCAMBIEN-TXEJJXNPSA-N 2 1 210.321 0.860 20 0 BCADMP CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198647 710854801 /nfs/dbraw/zinc/85/48/01/710854801.db2.gz XHHXUWBSROKMDD-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198647 710854803 /nfs/dbraw/zinc/85/48/03/710854803.db2.gz XHHXUWBSROKMDD-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000396712225 710907576 /nfs/dbraw/zinc/90/75/76/710907576.db2.gz RKZCMPARKWEFDQ-UKKRHICBSA-N 2 1 212.337 0.876 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396682999 710907789 /nfs/dbraw/zinc/90/77/89/710907789.db2.gz WTNSOKXTQHACBE-RYUDHWBXSA-N 2 1 229.368 0.295 20 0 BCADMP COCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133088385 710968298 /nfs/dbraw/zinc/96/82/98/710968298.db2.gz XIEUFCWTLFVGJJ-GHMZBOCLSA-N 2 1 200.326 0.940 20 0 BCADMP COC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000382549470 710973183 /nfs/dbraw/zinc/97/31/83/710973183.db2.gz FJXUYXBUDJPMPE-WVMKXHBISA-N 2 1 242.363 0.599 20 0 BCADMP C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754671 710974587 /nfs/dbraw/zinc/97/45/87/710974587.db2.gz MDIZQZCQHHCUSN-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754671 710974589 /nfs/dbraw/zinc/97/45/89/710974589.db2.gz MDIZQZCQHHCUSN-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000383916738 710986069 /nfs/dbraw/zinc/98/60/69/710986069.db2.gz QCKVSUZLMGKOCW-LLVKDONJSA-N 2 1 240.351 0.215 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000383916759 710986591 /nfs/dbraw/zinc/98/65/91/710986591.db2.gz QCKVSUZLMGKOCW-NSHDSACASA-N 2 1 240.351 0.215 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000384062466 710987955 /nfs/dbraw/zinc/98/79/55/710987955.db2.gz YIHWCJSXNJELHQ-LLVKDONJSA-N 2 1 236.319 0.435 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000384910208 710999975 /nfs/dbraw/zinc/99/99/75/710999975.db2.gz DEEOMFLBUPLJHR-UWVGGRQHSA-N 2 1 216.325 0.317 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C(C)(C)C)C[C@H]21 ZINC000385107515 711006057 /nfs/dbraw/zinc/00/60/57/711006057.db2.gz IPACCNHLIVBTLG-WHOHXGKFSA-N 2 1 226.364 0.885 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C(C)(C)C)C[C@H]21 ZINC000385107515 711006063 /nfs/dbraw/zinc/00/60/63/711006063.db2.gz IPACCNHLIVBTLG-WHOHXGKFSA-N 2 1 226.364 0.885 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385390873 711012824 /nfs/dbraw/zinc/01/28/24/711012824.db2.gz UUOFPMWBIPKICR-SNVBAGLBSA-N 2 1 216.325 0.197 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385390873 711012825 /nfs/dbraw/zinc/01/28/25/711012825.db2.gz UUOFPMWBIPKICR-SNVBAGLBSA-N 2 1 216.325 0.197 20 0 BCADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183632 711024420 /nfs/dbraw/zinc/02/44/20/711024420.db2.gz YMMVWWHRWSOOEM-SRVKXCTJSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183634 711024758 /nfs/dbraw/zinc/02/47/58/711024758.db2.gz YMMVWWHRWSOOEM-TUAOUCFPSA-N 2 1 211.353 0.811 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000386751795 711035986 /nfs/dbraw/zinc/03/59/86/711035986.db2.gz GSCMIZXDAACUTM-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCSCC1 ZINC000389724592 711087628 /nfs/dbraw/zinc/08/76/28/711087628.db2.gz JNFKDHWATCXUCX-GFCCVEGCSA-N 2 1 244.404 0.882 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCSCC1 ZINC000389724592 711087631 /nfs/dbraw/zinc/08/76/31/711087631.db2.gz JNFKDHWATCXUCX-GFCCVEGCSA-N 2 1 244.404 0.882 20 0 BCADMP C[N@@H+]1CC=C(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392236598 711143074 /nfs/dbraw/zinc/14/30/74/711143074.db2.gz JUKJEDZQEOQXQZ-BTFPBAQTSA-N 2 1 247.386 0.834 20 0 BCADMP C[N@H+]1CC=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392236598 711143075 /nfs/dbraw/zinc/14/30/75/711143075.db2.gz JUKJEDZQEOQXQZ-BTFPBAQTSA-N 3 1 247.386 0.834 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392236598 711143076 /nfs/dbraw/zinc/14/30/76/711143076.db2.gz JUKJEDZQEOQXQZ-BTFPBAQTSA-N 3 1 247.386 0.834 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392814151 711152439 /nfs/dbraw/zinc/15/24/39/711152439.db2.gz FGZUTDNGJIWNNX-DVWMECQTSA-N 2 1 224.348 0.589 20 0 BCADMP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCCO1 ZINC000392901173 711153015 /nfs/dbraw/zinc/15/30/15/711153015.db2.gz QBODZQSBQAMALO-RJRAAQABSA-N 2 1 222.332 0.751 20 0 BCADMP COCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393929285 711179677 /nfs/dbraw/zinc/17/96/77/711179677.db2.gz GQPLDQPMGWYBQX-OBPIAQAESA-N 2 1 240.347 0.235 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000396654795 711360618 /nfs/dbraw/zinc/36/06/18/711360618.db2.gz FOTFRMWRSAJGQU-ZYHUDNBSSA-N 2 1 222.336 0.693 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000396537674 711353357 /nfs/dbraw/zinc/35/33/57/711353357.db2.gz BAESQIMSDHCSRV-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000396580112 711357329 /nfs/dbraw/zinc/35/73/29/711357329.db2.gz FAUQZFIVOIJVGK-XKGSQUFQSA-N 2 1 239.363 0.761 20 0 BCADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396591283 711357547 /nfs/dbraw/zinc/35/75/47/711357547.db2.gz TZNWWCNRHAXCTD-GMTAPVOTSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H](O)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396592663 711358458 /nfs/dbraw/zinc/35/84/58/711358458.db2.gz ULSPDOVGMQQXGM-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396607641 711359441 /nfs/dbraw/zinc/35/94/41/711359441.db2.gz IZJPCZOCIHTJBU-QWRGUYRKSA-N 2 1 227.352 0.633 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC1(O)CC[NH+](C)CC1 ZINC000397552788 711386280 /nfs/dbraw/zinc/38/62/80/711386280.db2.gz ZLRCCFWVEZTWRH-RYUDHWBXSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552788 711386282 /nfs/dbraw/zinc/38/62/82/711386282.db2.gz ZLRCCFWVEZTWRH-RYUDHWBXSA-N 3 1 241.379 0.173 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000398986524 711417125 /nfs/dbraw/zinc/41/71/25/711417125.db2.gz MAALHOWPAPKYKQ-WOPDTQHZSA-N 2 1 212.337 0.810 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCOC1 ZINC000398986522 711417561 /nfs/dbraw/zinc/41/75/61/711417561.db2.gz MAALHOWPAPKYKQ-UTUOFQBUSA-N 2 1 212.337 0.810 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721963044 710694618 /nfs/dbraw/zinc/69/46/18/710694618.db2.gz RGWOZDNKRCTXTQ-AGIUHOORSA-N 2 1 244.379 0.953 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721963044 710694620 /nfs/dbraw/zinc/69/46/20/710694620.db2.gz RGWOZDNKRCTXTQ-AGIUHOORSA-N 2 1 244.379 0.953 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)C(C)C ZINC000721963824 710695653 /nfs/dbraw/zinc/69/56/53/710695653.db2.gz LVZUVYDBLURWEX-QWRGUYRKSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])C1)C(C)C ZINC000721963824 710695655 /nfs/dbraw/zinc/69/56/55/710695655.db2.gz LVZUVYDBLURWEX-QWRGUYRKSA-N 2 1 200.326 0.938 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724563541 710742150 /nfs/dbraw/zinc/74/21/50/710742150.db2.gz NGMDFFFKEZVFBO-QNWHQSFQSA-N 2 1 240.347 0.332 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000383635705 710984511 /nfs/dbraw/zinc/98/45/11/710984511.db2.gz YCXUBYRMPXAIMJ-VXGBXAGGSA-N 2 1 239.363 0.572 20 0 BCADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383177603 710979075 /nfs/dbraw/zinc/97/90/75/710979075.db2.gz OZFWDPYPFHNTTA-KVYJJMQOSA-N 2 1 236.359 0.732 20 0 BCADMP C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384939339 711001244 /nfs/dbraw/zinc/00/12/44/711001244.db2.gz UCZZPZYIOMVFAA-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384939339 711001246 /nfs/dbraw/zinc/00/12/46/711001246.db2.gz UCZZPZYIOMVFAA-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP COCC(COC)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000384950319 711001290 /nfs/dbraw/zinc/00/12/90/711001290.db2.gz LPQHNYMJJOHSAH-GFCCVEGCSA-N 2 1 232.368 0.953 20 0 BCADMP CN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1=O ZINC000385561115 711014050 /nfs/dbraw/zinc/01/40/50/711014050.db2.gz ZQFVZOHUYWDKSF-GQFWMTIKSA-N 2 1 249.358 0.193 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396640782 711363137 /nfs/dbraw/zinc/36/31/37/711363137.db2.gz MQFSVGSWNSDXPU-SDDRHHMPSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000396721573 711367481 /nfs/dbraw/zinc/36/74/81/711367481.db2.gz WGGMVTACYALAFK-WDEREUQCSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NCC1(O)CC[NH+](C)CC1 ZINC000397552787 711386427 /nfs/dbraw/zinc/38/64/27/711386427.db2.gz ZLRCCFWVEZTWRH-NWDGAFQWSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552787 711386428 /nfs/dbraw/zinc/38/64/28/711386428.db2.gz ZLRCCFWVEZTWRH-NWDGAFQWSA-N 3 1 241.379 0.173 20 0 BCADMP CNC(=O)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000398310752 711407803 /nfs/dbraw/zinc/40/78/03/711407803.db2.gz LBHPFQZHILSKLH-ZJUUUORDSA-N 2 1 213.325 0.243 20 0 BCADMP CCC[N@@H+](CC)CCNC1=[NH+]CCCN1C ZINC000386366288 711529564 /nfs/dbraw/zinc/52/95/64/711529564.db2.gz APJQZSDXXMEATD-UHFFFAOYSA-N 2 1 226.368 0.999 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899513 711544964 /nfs/dbraw/zinc/54/49/64/711544964.db2.gz CILYNSNUOFBPEU-OPRDCNLKSA-N 2 1 213.325 0.167 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000723699453 711534531 /nfs/dbraw/zinc/53/45/31/711534531.db2.gz SCXASFZUQLIIEN-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000723699454 711534649 /nfs/dbraw/zinc/53/46/49/711534649.db2.gz SCXASFZUQLIIEN-YUMQZZPRSA-N 2 1 226.242 0.580 20 0 BCADMP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713672 711535658 /nfs/dbraw/zinc/53/56/58/711535658.db2.gz XGUVZBBMJRHKJE-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892289 711543817 /nfs/dbraw/zinc/54/38/17/711543817.db2.gz QYEHADDXAKWGNO-VXGBXAGGSA-N 2 1 241.379 0.675 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723903228 711545161 /nfs/dbraw/zinc/54/51/61/711545161.db2.gz UZMSRFBDBZAXTB-GHMZBOCLSA-N 2 1 241.335 0.355 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000723961285 711547762 /nfs/dbraw/zinc/54/77/62/711547762.db2.gz CLIWYZDFYKPKDL-MNOVXSKESA-N 2 1 222.336 0.898 20 0 BCADMP Cc1cn(C)nc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000723961285 711547765 /nfs/dbraw/zinc/54/77/65/711547765.db2.gz CLIWYZDFYKPKDL-MNOVXSKESA-N 2 1 222.336 0.898 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724001345 711554085 /nfs/dbraw/zinc/55/40/85/711554085.db2.gz LWDIILIHWFCFFO-LLVKDONJSA-N 2 1 222.336 0.899 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133081986 711558698 /nfs/dbraw/zinc/55/86/98/711558698.db2.gz PCQJVSZRMPQSOD-OPRDCNLKSA-N 2 1 213.325 0.167 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000724190644 711568196 /nfs/dbraw/zinc/56/81/96/711568196.db2.gz ZNLRKZHMKRJSCX-JHJVBQTASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000724190644 711568198 /nfs/dbraw/zinc/56/81/98/711568198.db2.gz ZNLRKZHMKRJSCX-JHJVBQTASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000724190644 711568200 /nfs/dbraw/zinc/56/82/00/711568200.db2.gz ZNLRKZHMKRJSCX-JHJVBQTASA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000724190644 711568203 /nfs/dbraw/zinc/56/82/03/711568203.db2.gz ZNLRKZHMKRJSCX-JHJVBQTASA-N 2 1 244.379 0.797 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544392 711588286 /nfs/dbraw/zinc/58/82/86/711588286.db2.gz KJEQIRATSKHCLF-PPCPHDFISA-N 2 1 240.347 0.520 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562482 711592444 /nfs/dbraw/zinc/59/24/44/711592444.db2.gz GYAKILAVYQDLAT-RNJOBUHISA-N 2 1 240.347 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562129 711592618 /nfs/dbraw/zinc/59/26/18/711592618.db2.gz FXZOGYNXHQNRFT-FPYNETTCSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724562564 711592635 /nfs/dbraw/zinc/59/26/35/711592635.db2.gz HJEZSAGBXAEUFO-NJMOYASZSA-N 2 1 240.347 0.602 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@@H]1[NH3+] ZINC000724564915 711592863 /nfs/dbraw/zinc/59/28/63/711592863.db2.gz WLBXHMPYPIPPTJ-BNDIWNMDSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC[NH2+]CC1 ZINC000724565590 711593166 /nfs/dbraw/zinc/59/31/66/711593166.db2.gz XWTNMCOKAPULRD-KGYLQXTDSA-N 2 1 240.347 0.474 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC([NH3+])C1 ZINC000724588618 711595905 /nfs/dbraw/zinc/59/59/05/711595905.db2.gz BGSYVGZEQMPZOI-AMFGXWJMSA-N 2 1 226.320 0.212 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000724584926 711595963 /nfs/dbraw/zinc/59/59/63/711595963.db2.gz ITLCFVNUYPZIFX-CLPYTZEMSA-N 2 1 240.347 0.520 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724915824 711627753 /nfs/dbraw/zinc/62/77/53/711627753.db2.gz RQDGQKOQJFOJLH-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724923859 711629179 /nfs/dbraw/zinc/62/91/79/711629179.db2.gz FOUHIIOQPNCCAI-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724923854 711629269 /nfs/dbraw/zinc/62/92/69/711629269.db2.gz FOUHIIOQPNCCAI-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724957231 711634219 /nfs/dbraw/zinc/63/42/19/711634219.db2.gz VITXSTSOVCRUPH-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310776521 711676570 /nfs/dbraw/zinc/67/65/70/711676570.db2.gz AQUMTPPIBJMVPI-CYBMUJFWSA-N 2 1 247.346 0.899 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H](C)C1 ZINC000399283997 711746863 /nfs/dbraw/zinc/74/68/63/711746863.db2.gz VEVHMPKUFPNHPS-TUAOUCFPSA-N 2 1 212.337 0.810 20 0 BCADMP Cc1ccccc1OCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000310348205 711763184 /nfs/dbraw/zinc/76/31/84/711763184.db2.gz PWVAWSDSYFWJDE-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000310348205 711763183 /nfs/dbraw/zinc/76/31/83/711763183.db2.gz PWVAWSDSYFWJDE-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000160065245 711805624 /nfs/dbraw/zinc/80/56/24/711805624.db2.gz OKSQREZFAICOET-LLVKDONJSA-N 2 1 225.336 0.183 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158169988 711832101 /nfs/dbraw/zinc/83/21/01/711832101.db2.gz XBRAAYKMEQSXBP-UPJWGTAASA-N 2 1 244.379 0.845 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736627 711832746 /nfs/dbraw/zinc/83/27/46/711832746.db2.gz GPMVTTRRCKMRML-VXGBXAGGSA-N 2 1 232.368 0.689 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CCCCO)C[C@]2(C)C1 ZINC000702267983 711868809 /nfs/dbraw/zinc/86/88/09/711868809.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CCCCO)C[C@]2(C)C1 ZINC000702267983 711868810 /nfs/dbraw/zinc/86/88/10/711868810.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCO)C[C@]2(C)C1 ZINC000702267983 711868814 /nfs/dbraw/zinc/86/88/14/711868814.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 2 1 212.337 0.642 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000069727135 711893603 /nfs/dbraw/zinc/89/36/03/711893603.db2.gz XQLUPKBPDXGXOD-OUAUKWLOSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000069727135 711893602 /nfs/dbraw/zinc/89/36/02/711893602.db2.gz XQLUPKBPDXGXOD-OUAUKWLOSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[NH+](C)C1 ZINC000705147705 711898891 /nfs/dbraw/zinc/89/88/91/711898891.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000705147705 711898892 /nfs/dbraw/zinc/89/88/92/711898892.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705147705 711898894 /nfs/dbraw/zinc/89/88/94/711898894.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 3 1 225.380 0.997 20 0 BCADMP CN1CCC[C@@H](C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705147705 711898895 /nfs/dbraw/zinc/89/88/95/711898895.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 2 1 225.380 0.997 20 0 BCADMP CN1CCC[C@@H](C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705147705 711898896 /nfs/dbraw/zinc/89/88/96/711898896.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 2 1 225.380 0.997 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000721917931 711919643 /nfs/dbraw/zinc/91/96/43/711919643.db2.gz CLLOSTVPNDJUET-HUVAQWKNSA-N 2 1 210.321 0.563 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721928203 711937746 /nfs/dbraw/zinc/93/77/46/711937746.db2.gz PDIOWLQCLUSYNN-YFKTTZPYSA-N 2 1 228.336 0.459 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721928203 711937747 /nfs/dbraw/zinc/93/77/47/711937747.db2.gz PDIOWLQCLUSYNN-YFKTTZPYSA-N 2 1 228.336 0.459 20 0 BCADMP CC(C)[N@@H+](C)CCNC1=[NH+]CCCCN1 ZINC000700191097 711987558 /nfs/dbraw/zinc/98/75/58/711987558.db2.gz JYVGVZXCRSHCRM-UHFFFAOYSA-N 2 1 212.341 0.656 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700236691 711988534 /nfs/dbraw/zinc/98/85/34/711988534.db2.gz GWYNSZYDYOPNAO-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800014 712005638 /nfs/dbraw/zinc/00/56/38/712005638.db2.gz BSZZQUDCEXNKJN-XHNCKOQMSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800014 712005639 /nfs/dbraw/zinc/00/56/39/712005639.db2.gz BSZZQUDCEXNKJN-XHNCKOQMSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800003 712006073 /nfs/dbraw/zinc/00/60/73/712006073.db2.gz BSZZQUDCEXNKJN-CIUDSAMLSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800003 712006074 /nfs/dbraw/zinc/00/60/74/712006074.db2.gz BSZZQUDCEXNKJN-CIUDSAMLSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000700894914 712010073 /nfs/dbraw/zinc/01/00/73/712010073.db2.gz UIYXQKLIKMVUII-RYUDHWBXSA-N 2 1 242.363 0.506 20 0 BCADMP CCOCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702127456 712039672 /nfs/dbraw/zinc/03/96/72/712039672.db2.gz XFXBFOQEZVGIGN-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000702112192 712039704 /nfs/dbraw/zinc/03/97/04/712039704.db2.gz ZJFOJFPAODNTSM-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702629162 712057332 /nfs/dbraw/zinc/05/73/32/712057332.db2.gz QYEYNKXLQWXNGR-NXEZZACHSA-N 2 1 232.755 0.803 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@@H]3CNOC3)CC[N@H+]2C1 ZINC000703308454 712072095 /nfs/dbraw/zinc/07/20/95/712072095.db2.gz CDOYFWYNQUASSM-HBNTYKKESA-N 2 1 211.309 0.106 20 0 BCADMP COC1CC(C[N@@H+](C)CCOCC[NH3+])C1 ZINC000703405845 712074604 /nfs/dbraw/zinc/07/46/04/712074604.db2.gz SENRANIUWPJRPE-UHFFFAOYSA-N 2 1 216.325 0.319 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595260 712080777 /nfs/dbraw/zinc/08/07/77/712080777.db2.gz WFHLDGFZSUFBQJ-GRYCIOLGSA-N 2 1 212.337 0.810 20 0 BCADMP C[C@@H](CO)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705665551 712135143 /nfs/dbraw/zinc/13/51/43/712135143.db2.gz FYDNTDYHOAVYEY-UPJWGTAASA-N 2 1 226.364 0.888 20 0 BCADMP C[C@@H](CO)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705665551 712135145 /nfs/dbraw/zinc/13/51/45/712135145.db2.gz FYDNTDYHOAVYEY-UPJWGTAASA-N 2 1 226.364 0.888 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705665551 712135146 /nfs/dbraw/zinc/13/51/46/712135146.db2.gz FYDNTDYHOAVYEY-UPJWGTAASA-N 2 1 226.364 0.888 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705665551 712135148 /nfs/dbraw/zinc/13/51/48/712135148.db2.gz FYDNTDYHOAVYEY-UPJWGTAASA-N 2 1 226.364 0.888 20 0 BCADMP CCOC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000705851072 712137745 /nfs/dbraw/zinc/13/77/45/712137745.db2.gz BEZSWZYKSZIZNI-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000706654239 712151169 /nfs/dbraw/zinc/15/11/69/712151169.db2.gz CMQLAMPJCPQDCM-MRVPVSSYSA-N 2 1 244.257 0.077 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000706654239 712151170 /nfs/dbraw/zinc/15/11/70/712151170.db2.gz CMQLAMPJCPQDCM-MRVPVSSYSA-N 2 1 244.257 0.077 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H]1C ZINC000706763303 712154722 /nfs/dbraw/zinc/15/47/22/712154722.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 1 200.326 0.782 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708066684 712174206 /nfs/dbraw/zinc/17/42/06/712174206.db2.gz ULAVNPLSXFVPDJ-IJLUTSLNSA-N 2 1 241.379 0.770 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709695612 712215998 /nfs/dbraw/zinc/21/59/98/712215998.db2.gz GNRCNHFSSXZJLZ-GHMZBOCLSA-N 2 1 244.379 0.832 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709779621 712217624 /nfs/dbraw/zinc/21/76/24/712217624.db2.gz VRZLXKMAEPKVPH-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@@H](O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461482 712222437 /nfs/dbraw/zinc/22/24/37/712222437.db2.gz IYUMLAFRSRPJGU-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461482 712222440 /nfs/dbraw/zinc/22/24/40/712222440.db2.gz IYUMLAFRSRPJGU-DGCLKSJQSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H]1CO[C@@H](CO)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000709508087 712223415 /nfs/dbraw/zinc/22/34/15/712223415.db2.gz IDQKTECSQIKMRS-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC1CC1)C2 ZINC000709838229 712229173 /nfs/dbraw/zinc/22/91/73/712229173.db2.gz TWOGJYMAPVEBDJ-TUAOUCFPSA-N 2 1 237.347 0.324 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC1CC1)C2 ZINC000709838229 712229176 /nfs/dbraw/zinc/22/91/76/712229176.db2.gz TWOGJYMAPVEBDJ-TUAOUCFPSA-N 2 1 237.347 0.324 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCCC1)C2 ZINC000709837591 712229443 /nfs/dbraw/zinc/22/94/43/712229443.db2.gz RKBDBWZETPUHDW-TUAOUCFPSA-N 2 1 237.347 0.420 20 0 BCADMP COC[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)OC ZINC000709890641 712230945 /nfs/dbraw/zinc/23/09/45/712230945.db2.gz RZPGRQKYIZQBBE-GFCCVEGCSA-N 2 1 242.363 0.723 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996686 712238888 /nfs/dbraw/zinc/23/88/88/712238888.db2.gz OPAJTMLDZAFBRH-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868821 712260203 /nfs/dbraw/zinc/26/02/03/712260203.db2.gz JMBLGEVCCCVLPR-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP C[NH+](C)CC1(O)CC[NH+](CCF)CC1 ZINC000710642251 712264540 /nfs/dbraw/zinc/26/45/40/712264540.db2.gz OLXSGTQPUFXUMI-UHFFFAOYSA-N 2 1 204.289 0.344 20 0 BCADMP COC1(OC)CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000711040973 712276249 /nfs/dbraw/zinc/27/62/49/712276249.db2.gz KINIMBDFTCSUSE-LLVKDONJSA-N 2 1 239.319 0.933 20 0 BCADMP Cn1ccnc1[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000373107281 712284775 /nfs/dbraw/zinc/28/47/75/712284775.db2.gz RETPRQHPJMMRMI-QWRGUYRKSA-N 2 1 248.330 0.488 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000922907360 712285263 /nfs/dbraw/zinc/28/52/63/712285263.db2.gz HPDIOLWQEWZAAX-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000922907360 712285264 /nfs/dbraw/zinc/28/52/64/712285264.db2.gz HPDIOLWQEWZAAX-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000922907360 712285265 /nfs/dbraw/zinc/28/52/65/712285265.db2.gz HPDIOLWQEWZAAX-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000922907345 712285666 /nfs/dbraw/zinc/28/56/66/712285666.db2.gz HPDIOLWQEWZAAX-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000711311940 712293560 /nfs/dbraw/zinc/29/35/60/712293560.db2.gz ULJSHXQWTKRWIN-NSHDSACASA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CF)C1 ZINC000711449829 712301352 /nfs/dbraw/zinc/30/13/52/712301352.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449829 712301354 /nfs/dbraw/zinc/30/13/54/712301354.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449829 712301356 /nfs/dbraw/zinc/30/13/56/712301356.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 1 232.343 0.981 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CF)C1 ZINC000711449830 712301458 /nfs/dbraw/zinc/30/14/58/712301458.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449830 712301459 /nfs/dbraw/zinc/30/14/59/712301459.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 1 232.343 0.981 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449830 712301460 /nfs/dbraw/zinc/30/14/60/712301460.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 1 232.343 0.981 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000711750895 712323773 /nfs/dbraw/zinc/32/37/73/712323773.db2.gz BSDFGBNWKRSYCV-GFCCVEGCSA-N 2 1 210.321 0.851 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479768 712334407 /nfs/dbraw/zinc/33/44/07/712334407.db2.gz SOIIPACRTSXBEU-NEPJUHHUSA-N 3 1 239.363 0.036 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478675 712334598 /nfs/dbraw/zinc/33/45/98/712334598.db2.gz GCRMNAQOAYJMBN-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478840 712334727 /nfs/dbraw/zinc/33/47/27/712334727.db2.gz HYJCWSVWIWJQGP-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000379110019 712369612 /nfs/dbraw/zinc/36/96/12/712369612.db2.gz UDMHAYDKOZQZFH-UHFFFAOYSA-N 2 1 241.379 0.973 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712437779 712429835 /nfs/dbraw/zinc/42/98/35/712429835.db2.gz KSEWGUUJJVTNCT-GHMZBOCLSA-N 2 1 228.336 0.340 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712437779 712429836 /nfs/dbraw/zinc/42/98/36/712429836.db2.gz KSEWGUUJJVTNCT-GHMZBOCLSA-N 2 1 228.336 0.340 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712632407 712439060 /nfs/dbraw/zinc/43/90/60/712439060.db2.gz LPFGHJHTVOFIIO-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH3+])CCC1(C)C ZINC000712672885 712440355 /nfs/dbraw/zinc/44/03/55/712440355.db2.gz YXUUQPVKMFZWIG-UHFFFAOYSA-N 2 1 213.325 0.278 20 0 BCADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000713100520 712452777 /nfs/dbraw/zinc/45/27/77/712452777.db2.gz PYWQOJPJVDWGLP-LLVKDONJSA-N 2 1 241.379 0.770 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227164 712455665 /nfs/dbraw/zinc/45/56/65/712455665.db2.gz UMNKBBYNROUINI-DCQANWLSSA-N 2 1 237.347 0.182 20 0 BCADMP C=C/C=C/CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000713737843 712470792 /nfs/dbraw/zinc/47/07/92/712470792.db2.gz AJRNLDKNEMFLNW-SNAWJCMRSA-N 2 1 223.364 0.956 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715010021 712504323 /nfs/dbraw/zinc/50/43/23/712504323.db2.gz JWJJLOUAQSJYCH-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715402888 712517331 /nfs/dbraw/zinc/51/73/31/712517331.db2.gz NDVHGWCYXQFIFL-CHWSQXEVSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715492931 712523310 /nfs/dbraw/zinc/52/33/10/712523310.db2.gz AVTDXLOZUFVELS-UTUOFQBUSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715492931 712523311 /nfs/dbraw/zinc/52/33/11/712523311.db2.gz AVTDXLOZUFVELS-UTUOFQBUSA-N 2 1 228.336 0.195 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000818610786 712590110 /nfs/dbraw/zinc/59/01/10/712590110.db2.gz VLJFFZKMMBRXNF-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)C1 ZINC000379870115 712619505 /nfs/dbraw/zinc/61/95/05/712619505.db2.gz QDKBXMCJCLRKAA-SNVBAGLBSA-N 2 1 210.325 0.219 20 0 BCADMP COCC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379930141 712631758 /nfs/dbraw/zinc/63/17/58/712631758.db2.gz UJQRKGDKWFPISE-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+](C)C[C@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC000717298305 712646305 /nfs/dbraw/zinc/64/63/05/712646305.db2.gz LXRALVCGZBTKHC-MRVPVSSYSA-N 2 1 235.291 0.292 20 0 BCADMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380001523 712651718 /nfs/dbraw/zinc/65/17/18/712651718.db2.gz KCATURGNQMJNIG-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP CCOC[C@@H](O)CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717434086 712657881 /nfs/dbraw/zinc/65/78/81/712657881.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 1 242.363 0.552 20 0 BCADMP CCOC[C@@H](O)CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717434086 712657882 /nfs/dbraw/zinc/65/78/82/712657882.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 1 242.363 0.552 20 0 BCADMP COCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380030816 712683625 /nfs/dbraw/zinc/68/36/25/712683625.db2.gz QGKALXHAQTVLAR-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717975194 712734698 /nfs/dbraw/zinc/73/46/98/712734698.db2.gz NZDCKQUYNRXBAL-JFGNBEQYSA-N 2 1 225.336 0.311 20 0 BCADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154688 712749237 /nfs/dbraw/zinc/74/92/37/712749237.db2.gz JGIYBJGLMCJHCS-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000037718548 712750007 /nfs/dbraw/zinc/75/00/07/712750007.db2.gz ZUOKONJYIWGUFJ-LBPRGKRZSA-N 2 1 205.305 0.905 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718319134 712754889 /nfs/dbraw/zinc/75/48/89/712754889.db2.gz NKISZPANAJZUSO-FRRDWIJNSA-N 2 1 240.347 0.021 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC)C1 ZINC000719149140 712799011 /nfs/dbraw/zinc/79/90/11/712799011.db2.gz PILFPDXGDKNWIS-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP O=C1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1 ZINC000719252799 712801444 /nfs/dbraw/zinc/80/14/44/712801444.db2.gz LTNBJVLVSPTJRJ-YOGCLGLASA-N 2 1 237.347 0.339 20 0 BCADMP CCNC(=O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719248405 712801484 /nfs/dbraw/zinc/80/14/84/712801484.db2.gz AKGBRKGHEGSMOG-YOGCLGLASA-N 2 1 239.363 0.585 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000720186050 712829502 /nfs/dbraw/zinc/82/95/02/712829502.db2.gz NCUZMUJUVTWAMC-ZYHUDNBSSA-N 2 1 244.379 0.845 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000720186050 712829503 /nfs/dbraw/zinc/82/95/03/712829503.db2.gz NCUZMUJUVTWAMC-ZYHUDNBSSA-N 2 1 244.379 0.845 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392814165 712838753 /nfs/dbraw/zinc/83/87/53/712838753.db2.gz FGZUTDNGJIWNNX-NFXCPBFJSA-N 2 1 224.348 0.589 20 0 BCADMP C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720872438 712873433 /nfs/dbraw/zinc/87/34/33/712873433.db2.gz OXUYVHYWXCLETE-XLPZGREQSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720872438 712873434 /nfs/dbraw/zinc/87/34/34/712873434.db2.gz OXUYVHYWXCLETE-XLPZGREQSA-N 2 1 226.242 0.436 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890773 712875004 /nfs/dbraw/zinc/87/50/04/712875004.db2.gz UEEVYSPVVMPREQ-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903775 712875148 /nfs/dbraw/zinc/87/51/48/712875148.db2.gz VVXRJURUSZHLFI-IJLUTSLNSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903820 712875246 /nfs/dbraw/zinc/87/52/46/712875246.db2.gz VVXRJURUSZHLFI-TUAOUCFPSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901800 712876034 /nfs/dbraw/zinc/87/60/34/712876034.db2.gz UBXZSLODRCYKRK-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901581 712876156 /nfs/dbraw/zinc/87/61/56/712876156.db2.gz SKBYMJGOXKRRLJ-RWMBFGLXSA-N 2 1 249.358 0.729 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721048522 712888354 /nfs/dbraw/zinc/88/83/54/712888354.db2.gz QTOXJJPBGSNANK-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721048522 712888355 /nfs/dbraw/zinc/88/83/55/712888355.db2.gz QTOXJJPBGSNANK-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721177686 712896374 /nfs/dbraw/zinc/89/63/74/712896374.db2.gz QREUPINESHDQQR-RYUDHWBXSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC12CCC2)C1CC1 ZINC000721177686 712896375 /nfs/dbraw/zinc/89/63/75/712896375.db2.gz QREUPINESHDQQR-RYUDHWBXSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633638 719180363 /nfs/dbraw/zinc/18/03/63/719180363.db2.gz HWGDZDIUXRRRML-NXEZZACHSA-N 2 1 235.335 0.464 20 0 BCADMP C[C@@H]1CN(c2cc(C[NH3+])ncn2)[C@@H](C)C[N@H+]1C ZINC001164633646 719180978 /nfs/dbraw/zinc/18/09/78/719180978.db2.gz HWGDZDIUXRRRML-ZJUUUORDSA-N 2 1 235.335 0.464 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633640 719181687 /nfs/dbraw/zinc/18/16/87/719181687.db2.gz HWGDZDIUXRRRML-UWVGGRQHSA-N 2 1 235.335 0.464 20 0 BCADMP Cc1c[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1N ZINC001164666011 719429027 /nfs/dbraw/zinc/42/90/27/719429027.db2.gz AJRCKJKSBKUSMP-VXGBXAGGSA-N 2 1 248.330 0.491 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(c2ncnc3c2C[NH2+]C3)C1 ZINC001165036913 721889144 /nfs/dbraw/zinc/88/91/44/721889144.db2.gz WKESJFMQNKEIHQ-SNVBAGLBSA-N 2 1 247.346 0.610 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000087837418 721894272 /nfs/dbraw/zinc/89/42/72/721894272.db2.gz MYDVDPNVHOOBID-SECBINFHSA-N 2 1 221.308 0.589 20 0 BCADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000087837419 721894392 /nfs/dbraw/zinc/89/43/92/721894392.db2.gz MYDVDPNVHOOBID-VIFPVBQESA-N 2 1 221.308 0.589 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378698852 346810880 /nfs/dbraw/zinc/81/08/80/346810880.db2.gz MHKITWFNJGCXMZ-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378698852 346810884 /nfs/dbraw/zinc/81/08/84/346810884.db2.gz MHKITWFNJGCXMZ-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000378698852 346810887 /nfs/dbraw/zinc/81/08/87/346810887.db2.gz MHKITWFNJGCXMZ-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322656 398144679 /nfs/dbraw/zinc/14/46/79/398144679.db2.gz CTSBPLBCNJVZFY-WUHRBBMRSA-N 2 1 249.358 0.052 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224355959 398147031 /nfs/dbraw/zinc/14/70/31/398147031.db2.gz VNIVRVVQKYSUAU-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257762725 349483548 /nfs/dbraw/zinc/48/35/48/349483548.db2.gz YCYROSSTPFZNEZ-LBPRGKRZSA-N 2 1 227.352 0.132 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000257785229 349483726 /nfs/dbraw/zinc/48/37/26/349483726.db2.gz VWAAZQCHHRAVLR-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342229 398159028 /nfs/dbraw/zinc/15/90/28/398159028.db2.gz VEAFVWBFRIOJGL-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[NH2+]CC1CC[NH+](CC(=O)OC)CC1 ZINC000063166124 349500897 /nfs/dbraw/zinc/50/08/97/349500897.db2.gz CPQPUHSOTNSDCQ-UHFFFAOYSA-N 2 1 200.282 0.091 20 0 BCADMP C[C@@H](CNC(=O)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237543227 398154979 /nfs/dbraw/zinc/15/49/79/398154979.db2.gz RIIGEBOEPFYFPD-NSHDSACASA-N 2 1 247.342 0.508 20 0 BCADMP C[C@H](CCO)[NH+](C)CCC[N@H+](C)[C@H](C)CCO ZINC000649869721 398155505 /nfs/dbraw/zinc/15/55/05/398155505.db2.gz KPJJNHIHRDZFLC-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905781 398157173 /nfs/dbraw/zinc/15/71/73/398157173.db2.gz SSSUEBBAQWXLEM-HNGCFSAESA-N 2 1 223.364 0.953 20 0 BCADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905781 398157174 /nfs/dbraw/zinc/15/71/74/398157174.db2.gz SSSUEBBAQWXLEM-HNGCFSAESA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000649341580 398157531 /nfs/dbraw/zinc/15/75/31/398157531.db2.gz JCRKRQYFNAMQNL-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000649340930 398157779 /nfs/dbraw/zinc/15/77/79/398157779.db2.gz AXKMUMQEDFZDRL-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000422907858 398157946 /nfs/dbraw/zinc/15/79/46/398157946.db2.gz LPJAGOMVYMGPRI-DGCLKSJQSA-N 2 1 236.363 0.940 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341574 398158108 /nfs/dbraw/zinc/15/81/08/398158108.db2.gz INNNRDHAYAPGRS-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359846 398171907 /nfs/dbraw/zinc/17/19/07/398171907.db2.gz FPZNKMCNEUWCFK-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+](C)C ZINC000649364485 398177273 /nfs/dbraw/zinc/17/72/73/398177273.db2.gz LJONYXLZOZORDP-GXSJLCMTSA-N 2 1 231.315 0.097 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348466 398162334 /nfs/dbraw/zinc/16/23/34/398162334.db2.gz LRDKJXYBIUMOGJ-BQSNPHCVSA-N 2 1 249.358 0.051 20 0 BCADMP CC[N@@H+]1C[C@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000423343896 398166213 /nfs/dbraw/zinc/16/62/13/398166213.db2.gz WJPNAXWEDLZHCA-RYUDHWBXSA-N 2 1 229.368 0.152 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH2+]CCOC)C1 ZINC000423343897 398166360 /nfs/dbraw/zinc/16/63/60/398166360.db2.gz WJPNAXWEDLZHCA-VXGBXAGGSA-N 2 1 229.368 0.152 20 0 BCADMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000380100820 398186500 /nfs/dbraw/zinc/18/65/00/398186500.db2.gz XGRAUVCIQQINJI-STQMWFEESA-N 2 1 246.395 0.902 20 0 BCADMP Cc1cc(F)ccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336751352 178085528 /nfs/dbraw/zinc/08/55/28/178085528.db2.gz VCYMHYAJOAVRCY-LBPRGKRZSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336751352 178085531 /nfs/dbraw/zinc/08/55/31/178085531.db2.gz VCYMHYAJOAVRCY-LBPRGKRZSA-N 2 1 226.295 0.886 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000576237578 365532105 /nfs/dbraw/zinc/53/21/05/365532105.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000576237578 365532112 /nfs/dbraw/zinc/53/21/12/365532112.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000576237578 365532118 /nfs/dbraw/zinc/53/21/18/365532118.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP Cc1cc(N2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000163000452 178114583 /nfs/dbraw/zinc/11/45/83/178114583.db2.gz AKLFCWZYAIMDGT-UHFFFAOYSA-N 2 1 235.331 0.894 20 0 BCADMP CC[N@@H+](CCNC(=O)CCCC[NH3+])C(C)C ZINC000576275705 365547054 /nfs/dbraw/zinc/54/70/54/365547054.db2.gz KJRIFSKWMZDLGJ-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP CCC[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436734 398207548 /nfs/dbraw/zinc/20/75/48/398207548.db2.gz MCLCXVVEDZLVMN-TUAOUCFPSA-N 2 1 212.337 0.953 20 0 BCADMP Cc1nn(C)c(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000649412221 398213645 /nfs/dbraw/zinc/21/36/45/398213645.db2.gz XJUOWLPBJCDSJH-UHFFFAOYSA-N 2 1 240.351 0.444 20 0 BCADMP Cc1noc(CCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000576346687 365571512 /nfs/dbraw/zinc/57/15/12/365571512.db2.gz VNBGPJQGKZHYHM-KOLCDFICSA-N 2 1 238.335 0.980 20 0 BCADMP Cc1ncsc1CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000380070772 488171835 /nfs/dbraw/zinc/17/18/35/488171835.db2.gz DGDBQXKKRFHVTM-VIFPVBQESA-N 2 1 229.349 0.245 20 0 BCADMP Cc1ncsc1CC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000380070772 488171841 /nfs/dbraw/zinc/17/18/41/488171841.db2.gz DGDBQXKKRFHVTM-VIFPVBQESA-N 2 1 229.349 0.245 20 0 BCADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414150 398212977 /nfs/dbraw/zinc/21/29/77/398212977.db2.gz JKISRRYTHTXFHG-OLZOCXBDSA-N 2 1 248.374 0.894 20 0 BCADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414149 398212987 /nfs/dbraw/zinc/21/29/87/398212987.db2.gz JKISRRYTHTXFHG-CHWSQXEVSA-N 2 1 248.374 0.894 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417449555 398223894 /nfs/dbraw/zinc/22/38/94/398223894.db2.gz YCIVKVGEPPCEAZ-HBNTYKKESA-N 2 1 244.383 0.752 20 0 BCADMP CCCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576481324 365595514 /nfs/dbraw/zinc/59/55/14/365595514.db2.gz UQGGAWDEWWEOBX-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CCCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576481323 365595629 /nfs/dbraw/zinc/59/56/29/365595629.db2.gz UQGGAWDEWWEOBX-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCN1CCOCC1 ZINC000430564829 398227555 /nfs/dbraw/zinc/22/75/55/398227555.db2.gz CPNJLBPVWUUSMM-ZDUSSCGKSA-N 2 1 243.395 0.672 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430564428 398227817 /nfs/dbraw/zinc/22/78/17/398227817.db2.gz BASYCIDBWGSCMY-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430564428 398227818 /nfs/dbraw/zinc/22/78/18/398227818.db2.gz BASYCIDBWGSCMY-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430560660 398227855 /nfs/dbraw/zinc/22/78/55/398227855.db2.gz WZQKRKZKVUZJEZ-UHFFFAOYSA-N 2 1 227.352 0.526 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986637 398228190 /nfs/dbraw/zinc/22/81/90/398228190.db2.gz WJMKPSKUQBKSMF-RDBSUJKOSA-N 3 1 237.391 0.917 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986636 398228470 /nfs/dbraw/zinc/22/84/70/398228470.db2.gz WJMKPSKUQBKSMF-MJBXVCDLSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000132975353 398232458 /nfs/dbraw/zinc/23/24/58/398232458.db2.gz YUYPTIUYMZBORP-BBBLOLIVSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000132975353 398232462 /nfs/dbraw/zinc/23/24/62/398232462.db2.gz YUYPTIUYMZBORP-BBBLOLIVSA-N 2 1 243.376 0.248 20 0 BCADMP C[C@@H](CNC(=O)C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430759975 398231283 /nfs/dbraw/zinc/23/12/83/398231283.db2.gz HTTZKBDUMIKJRV-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630016 398235870 /nfs/dbraw/zinc/23/58/70/398235870.db2.gz KGMQEKAFIZDBLW-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)C[N@H+](C)C1CCC1 ZINC000629945489 361791209 /nfs/dbraw/zinc/79/12/09/361791209.db2.gz DPAWRTOZXIDHGA-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780719 136227169 /nfs/dbraw/zinc/22/71/69/136227169.db2.gz QVGFRSGUYSEOSL-AXFHLTTASA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780719 136227170 /nfs/dbraw/zinc/22/71/70/136227170.db2.gz QVGFRSGUYSEOSL-AXFHLTTASA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000576515216 365614994 /nfs/dbraw/zinc/61/49/94/365614994.db2.gz FJNZKZDQIUKBAF-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP OCCCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000390748355 398247327 /nfs/dbraw/zinc/24/73/27/398247327.db2.gz AXPAGHMQQLHTKY-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000323018460 259309439 /nfs/dbraw/zinc/30/94/39/259309439.db2.gz IWHUPDQEDUYTPX-GARJFASQSA-N 2 1 227.352 0.631 20 0 BCADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000168835774 538945742 /nfs/dbraw/zinc/94/57/42/538945742.db2.gz JDWOZFITACMYCV-RYUDHWBXSA-N 2 1 224.348 0.975 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC(F)(F)C[NH3+] ZINC000576714116 365667256 /nfs/dbraw/zinc/66/72/56/365667256.db2.gz NPTCUONYCMDLGC-HTQZYQBOSA-N 2 1 235.278 0.309 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000381404431 398255873 /nfs/dbraw/zinc/25/58/73/398255873.db2.gz QWYMYQVPGKQLHA-LBPRGKRZSA-N 3 1 211.353 0.703 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1CCC[NH2+]1 ZINC000564722741 323007480 /nfs/dbraw/zinc/00/74/80/323007480.db2.gz XEYBCQVDASJGCI-VOAKCMCISA-N 2 1 242.363 0.647 20 0 BCADMP COC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963980 346828630 /nfs/dbraw/zinc/82/86/30/346828630.db2.gz NOKSZMHZIMYDEX-ZDUSSCGKSA-N 2 1 243.395 0.591 20 0 BCADMP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129665676 323009141 /nfs/dbraw/zinc/00/91/41/323009141.db2.gz JPVPTDULKZAAKY-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990836 488178468 /nfs/dbraw/zinc/17/84/68/488178468.db2.gz YOZZOPIXQGNBKS-AVGNSLFASA-N 2 1 240.347 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990836 488178477 /nfs/dbraw/zinc/17/84/77/488178477.db2.gz YOZZOPIXQGNBKS-AVGNSLFASA-N 2 1 240.347 0.210 20 0 BCADMP CCc1nc(N[C@H](C)[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000381803227 398273707 /nfs/dbraw/zinc/27/37/07/398273707.db2.gz UNGMABZGKHRMRG-RKDXNWHRSA-N 2 1 208.309 0.917 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000165282895 361837604 /nfs/dbraw/zinc/83/76/04/361837604.db2.gz SEKHVCHGISJFOL-GUBZILKMSA-N 2 1 213.325 0.038 20 0 BCADMP C[NH2+]CCCN1CCC2(CC[NH2+]C2)CC1 ZINC000381837296 398275189 /nfs/dbraw/zinc/27/51/89/398275189.db2.gz PFVFUEHIYGMXAQ-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000165490160 361842324 /nfs/dbraw/zinc/84/23/24/361842324.db2.gz XYXOEGTZQLSLSI-GHMZBOCLSA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000165490160 361842332 /nfs/dbraw/zinc/84/23/32/361842332.db2.gz XYXOEGTZQLSLSI-GHMZBOCLSA-N 2 1 214.309 0.073 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742433 342746044 /nfs/dbraw/zinc/74/60/44/342746044.db2.gz DZAVOMHXKHOWIH-VWYCJHECSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418508330 192044799 /nfs/dbraw/zinc/04/47/99/192044799.db2.gz DPUFECLRWPZDSB-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]([NH2+]CC(N)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185704043 538970526 /nfs/dbraw/zinc/97/05/26/538970526.db2.gz SGHCMKZYOQWARP-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]CC(N)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185704043 538970528 /nfs/dbraw/zinc/97/05/28/538970528.db2.gz SGHCMKZYOQWARP-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418513552 192045305 /nfs/dbraw/zinc/04/53/05/192045305.db2.gz AOTYACGLXHOAJZ-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883469 398299284 /nfs/dbraw/zinc/29/92/84/398299284.db2.gz WKNQLZXQSGSYFI-ONGXEEELSA-N 2 1 240.351 0.117 20 0 BCADMP CCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640752637 361994596 /nfs/dbraw/zinc/99/45/96/361994596.db2.gz DWMKIEZSDADSRZ-UHFFFAOYSA-N 2 1 237.351 0.654 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC1CC[NH2+]CC1 ZINC000335646122 136243949 /nfs/dbraw/zinc/24/39/49/136243949.db2.gz LSZIBYSBAZSGTG-NSHDSACASA-N 2 1 211.353 0.716 20 0 BCADMP CN(C)C(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000096981704 398314428 /nfs/dbraw/zinc/31/44/28/398314428.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000062065762 398314613 /nfs/dbraw/zinc/31/46/13/398314613.db2.gz KTIHIYWDPQLLQP-ZDUSSCGKSA-N 2 1 249.358 0.967 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000351477253 136246213 /nfs/dbraw/zinc/24/62/13/136246213.db2.gz NCKQYWPPRINMRS-DRZSPHRISA-N 2 1 232.331 0.954 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000351477253 136246214 /nfs/dbraw/zinc/24/62/14/136246214.db2.gz NCKQYWPPRINMRS-DRZSPHRISA-N 2 1 232.331 0.954 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCn2cc(C)cn2)C1 ZINC000234406960 342924804 /nfs/dbraw/zinc/92/48/04/342924804.db2.gz XLAWBWZULRKRHT-GFCCVEGCSA-N 2 1 222.336 0.733 20 0 BCADMP CC(C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037108571 342921114 /nfs/dbraw/zinc/92/11/14/342921114.db2.gz VUHLMHKJSWXLQQ-UHFFFAOYSA-N 2 1 213.325 0.006 20 0 BCADMP C[NH+](C)CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106774 398327442 /nfs/dbraw/zinc/32/74/42/398327442.db2.gz VWXXXPUDXOMFBM-UHFFFAOYSA-N 2 1 234.303 0.227 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000308534943 346881697 /nfs/dbraw/zinc/88/16/97/346881697.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000308534943 346881699 /nfs/dbraw/zinc/88/16/99/346881699.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000308534943 346881703 /nfs/dbraw/zinc/88/17/03/346881703.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000308534943 346881704 /nfs/dbraw/zinc/88/17/04/346881704.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000037480379 342937270 /nfs/dbraw/zinc/93/72/70/342937270.db2.gz POPHMZPVHTZDIX-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037887347 398335114 /nfs/dbraw/zinc/33/51/14/398335114.db2.gz ALNLAMYBECNGET-LBPRGKRZSA-N 2 1 230.352 0.456 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000392772378 398335187 /nfs/dbraw/zinc/33/51/87/398335187.db2.gz DNNBUZDEIBSYCU-GFCCVEGCSA-N 2 1 237.347 0.507 20 0 BCADMP [NH3+]CCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392908856 398335915 /nfs/dbraw/zinc/33/59/15/398335915.db2.gz VVAIAOQYRDXKDM-UHFFFAOYSA-N 2 1 211.309 0.103 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000519760444 488188625 /nfs/dbraw/zinc/18/86/25/488188625.db2.gz RBXGGMPXGLAIOS-YNEHKIRRSA-N 2 1 244.379 0.440 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000635643916 398344154 /nfs/dbraw/zinc/34/41/54/398344154.db2.gz BOTKMXSKKHFODA-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP COC[C@@H](C)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000308510937 259340413 /nfs/dbraw/zinc/34/04/13/259340413.db2.gz KUIAIYWSZZIUFT-JTQLQIEISA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457587 343022060 /nfs/dbraw/zinc/02/20/60/343022060.db2.gz CFMVAWLBYZYXSK-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[NH2+]CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000246605577 343122937 /nfs/dbraw/zinc/12/29/37/343122937.db2.gz WIRVFNWGEHGQCD-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772180 343126593 /nfs/dbraw/zinc/12/65/93/343126593.db2.gz DCLSZDXICGSRTG-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070026292 343130092 /nfs/dbraw/zinc/13/00/92/343130092.db2.gz DOGVBFXHVIVBEO-VHSXEESVSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070026292 343130094 /nfs/dbraw/zinc/13/00/94/343130094.db2.gz DOGVBFXHVIVBEO-VHSXEESVSA-N 2 1 206.293 0.818 20 0 BCADMP CC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000308894948 346930081 /nfs/dbraw/zinc/93/00/81/346930081.db2.gz IQPVCOGPOGLNBI-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH2+]CCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000576942040 365727836 /nfs/dbraw/zinc/72/78/36/365727836.db2.gz SANRUEYVSMGWHT-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000124720665 343164844 /nfs/dbraw/zinc/16/48/44/343164844.db2.gz UMHOIRHBZGHHCA-VHSXEESVSA-N 2 1 208.309 0.780 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000379925569 365737301 /nfs/dbraw/zinc/73/73/01/365737301.db2.gz UBNYCNBQHJGGRT-LLVKDONJSA-N 2 1 232.393 0.738 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000379925569 365737306 /nfs/dbraw/zinc/73/73/06/365737306.db2.gz UBNYCNBQHJGGRT-LLVKDONJSA-N 2 1 232.393 0.738 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000379925569 365737309 /nfs/dbraw/zinc/73/73/09/365737309.db2.gz UBNYCNBQHJGGRT-LLVKDONJSA-N 2 1 232.393 0.738 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCSCC1 ZINC000379925569 365737314 /nfs/dbraw/zinc/73/73/14/365737314.db2.gz UBNYCNBQHJGGRT-LLVKDONJSA-N 2 1 232.393 0.738 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000167747243 343209587 /nfs/dbraw/zinc/20/95/87/343209587.db2.gz RRKUFHURKYMFPU-NSHDSACASA-N 2 1 230.352 0.458 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000168558374 343210374 /nfs/dbraw/zinc/21/03/74/343210374.db2.gz ODKKJJWPPUYQQK-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(C)c1 ZINC000133597693 343191317 /nfs/dbraw/zinc/19/13/17/343191317.db2.gz DEBRFYZNZNGYJG-GXSJLCMTSA-N 2 1 208.309 0.732 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(C)c1 ZINC000133597693 343191318 /nfs/dbraw/zinc/19/13/18/343191318.db2.gz DEBRFYZNZNGYJG-GXSJLCMTSA-N 2 1 208.309 0.732 20 0 BCADMP C[NH2+]CCCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000087472166 136281571 /nfs/dbraw/zinc/28/15/71/136281571.db2.gz MGBKNRQFGGENLZ-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP C[NH+](CCCO)CCC[N@@H+](C)CCCO ZINC000039274210 343229951 /nfs/dbraw/zinc/22/99/51/343229951.db2.gz HATGVANQYVSMKH-UHFFFAOYSA-N 2 1 218.341 0.005 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccnn1C ZINC000634688215 343246510 /nfs/dbraw/zinc/24/65/10/343246510.db2.gz LWWMCCZDRWLSMR-NTZNESFSSA-N 2 1 236.363 0.939 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000121401505 343266529 /nfs/dbraw/zinc/26/65/29/343266529.db2.gz SHRPNHCQYZXVHO-ZDUSSCGKSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217841 343280093 /nfs/dbraw/zinc/28/00/93/343280093.db2.gz BESCCYVNRMPBFO-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000070589346 343333529 /nfs/dbraw/zinc/33/35/29/343333529.db2.gz DRBBHYRMBUKRIG-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000069839433 343292352 /nfs/dbraw/zinc/29/23/52/343292352.db2.gz CJQUYKZSRQOZAG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000584064139 343313021 /nfs/dbraw/zinc/31/30/21/343313021.db2.gz PUGQKCGSJGGZFK-PWSUYJOCSA-N 3 1 211.353 0.988 20 0 BCADMP [NH3+][C@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000584064138 343313158 /nfs/dbraw/zinc/31/31/58/343313158.db2.gz PUGQKCGSJGGZFK-JQWIXIFHSA-N 3 1 211.353 0.988 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638490 136303014 /nfs/dbraw/zinc/30/30/14/136303014.db2.gz SIPVKEIWDLKHSY-HBIQZDMRSA-N 3 1 211.353 0.844 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398136267 488212071 /nfs/dbraw/zinc/21/20/71/488212071.db2.gz XRNCBFBGADPVBM-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000037691447 343351258 /nfs/dbraw/zinc/35/12/58/343351258.db2.gz OAKDXCMEIBKEFE-RYUDHWBXSA-N 2 1 212.337 0.974 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166232980 136316044 /nfs/dbraw/zinc/31/60/44/136316044.db2.gz CZDZAXUTUMIHSB-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166232980 136316045 /nfs/dbraw/zinc/31/60/45/136316045.db2.gz CZDZAXUTUMIHSB-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)CC[N@H+]1C ZINC000335687496 136323617 /nfs/dbraw/zinc/32/36/17/136323617.db2.gz AIJRADXBQLFFAG-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000166354394 136352267 /nfs/dbraw/zinc/35/22/67/136352267.db2.gz HYAFWPUHZFKSDY-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](CC(=O)NCC[NH+](C)C(C)C)C1CC1 ZINC000152565655 323047419 /nfs/dbraw/zinc/04/74/19/323047419.db2.gz XIIVVTBBSROGPF-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC(=O)NCC[N@H+](C)C(C)C)C1CC1 ZINC000152565655 323047420 /nfs/dbraw/zinc/04/74/20/323047420.db2.gz XIIVVTBBSROGPF-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC(=O)NCC[N@@H+](C)C(C)C)C1CC1 ZINC000152565655 323047421 /nfs/dbraw/zinc/04/74/21/323047421.db2.gz XIIVVTBBSROGPF-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCO)C1 ZINC000350244464 136356971 /nfs/dbraw/zinc/35/69/71/136356971.db2.gz CWZNMNXJZOGROW-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000166636718 136362252 /nfs/dbraw/zinc/36/22/52/136362252.db2.gz OSUMFKHRRBLBKP-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CN(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247984922 136373516 /nfs/dbraw/zinc/37/35/16/136373516.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247984922 136373517 /nfs/dbraw/zinc/37/35/17/136373517.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247984922 136373518 /nfs/dbraw/zinc/37/35/18/136373518.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247984922 136373519 /nfs/dbraw/zinc/37/35/19/136373519.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247984922 136373520 /nfs/dbraw/zinc/37/35/20/136373520.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000616489209 343475340 /nfs/dbraw/zinc/47/53/40/343475340.db2.gz RTAJQCKFFCHFBT-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C ZINC000083399871 343480308 /nfs/dbraw/zinc/48/03/08/343480308.db2.gz HGFOOIWMVOACOV-MNOVXSKESA-N 2 1 218.341 0.170 20 0 BCADMP CN(C)c1nc(NCCCC[NH3+])cc[nH+]1 ZINC000082924204 343471069 /nfs/dbraw/zinc/47/10/69/343471069.db2.gz GQIQSZXPQYTQRE-UHFFFAOYSA-N 2 1 209.297 0.693 20 0 BCADMP C[C@@H]([NH3+])CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924380 343471791 /nfs/dbraw/zinc/47/17/91/343471791.db2.gz AEBWINPKINXOQA-MRVPVSSYSA-N 2 1 209.297 0.692 20 0 BCADMP [NH3+]CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960726 343511408 /nfs/dbraw/zinc/51/14/08/343511408.db2.gz HFBIUABEUFXVMK-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000083961258 343511648 /nfs/dbraw/zinc/51/16/48/343511648.db2.gz VSEFQNLISZEQQA-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC(C)C[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000083961327 343511697 /nfs/dbraw/zinc/51/16/97/343511697.db2.gz KPYCVRNGFXASDU-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000310490056 343515169 /nfs/dbraw/zinc/51/51/69/343515169.db2.gz FTJCQIUIIDYLIM-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000310490056 343515171 /nfs/dbraw/zinc/51/51/71/343515171.db2.gz FTJCQIUIIDYLIM-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000310490056 343515174 /nfs/dbraw/zinc/51/51/74/343515174.db2.gz FTJCQIUIIDYLIM-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnnn1C ZINC000577026125 365773652 /nfs/dbraw/zinc/77/36/52/365773652.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 1 237.351 0.587 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000518770428 259366141 /nfs/dbraw/zinc/36/61/41/259366141.db2.gz SUWLGPXICROMGP-WTQORWENSA-N 2 1 242.363 0.358 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000518770428 259366143 /nfs/dbraw/zinc/36/61/43/259366143.db2.gz SUWLGPXICROMGP-WTQORWENSA-N 2 1 242.363 0.358 20 0 BCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC2)CC1 ZINC000047915442 343645146 /nfs/dbraw/zinc/64/51/46/343645146.db2.gz XQIZGEXPBJODKK-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000557633997 343714978 /nfs/dbraw/zinc/71/49/78/343714978.db2.gz QTKQBYXIDGRDLY-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1ncc(C[N@H+](C[C@@H](O)CO)C(C)C)n1C ZINC000668245251 537807314 /nfs/dbraw/zinc/80/73/14/537807314.db2.gz YGTYFFCVHUHOBL-GFCCVEGCSA-N 2 1 241.335 0.292 20 0 BCADMP Cc1ncc(CN(C[C@@H](O)CO)C(C)C)n1C ZINC000668245251 537807327 /nfs/dbraw/zinc/80/73/27/537807327.db2.gz YGTYFFCVHUHOBL-GFCCVEGCSA-N 2 1 241.335 0.292 20 0 BCADMP CC[N@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000584179897 343770282 /nfs/dbraw/zinc/77/02/82/343770282.db2.gz ICHALZKXZCBLLW-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000584179897 343770285 /nfs/dbraw/zinc/77/02/85/343770285.db2.gz ICHALZKXZCBLLW-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000570424835 323059410 /nfs/dbraw/zinc/05/94/10/323059410.db2.gz SRUVHBWUHTZWGV-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000570424835 323059411 /nfs/dbraw/zinc/05/94/11/323059411.db2.gz SRUVHBWUHTZWGV-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000570424835 323059412 /nfs/dbraw/zinc/05/94/12/323059412.db2.gz SRUVHBWUHTZWGV-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[NH3+] ZINC000263289431 349861345 /nfs/dbraw/zinc/86/13/45/349861345.db2.gz VUBDXQQKTXDVAS-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784313 343909079 /nfs/dbraw/zinc/90/90/79/343909079.db2.gz MXHMIKYVOSEVRB-XQQFMLRXSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784313 343909082 /nfs/dbraw/zinc/90/90/82/343909082.db2.gz MXHMIKYVOSEVRB-XQQFMLRXSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784313 343909084 /nfs/dbraw/zinc/90/90/84/343909084.db2.gz MXHMIKYVOSEVRB-XQQFMLRXSA-N 2 1 223.364 0.799 20 0 BCADMP CSC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000381059544 343919632 /nfs/dbraw/zinc/91/96/32/343919632.db2.gz KNFHUZWQBZSWQC-LLVKDONJSA-N 2 1 244.404 0.927 20 0 BCADMP CSC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000381059544 343919634 /nfs/dbraw/zinc/91/96/34/343919634.db2.gz KNFHUZWQBZSWQC-LLVKDONJSA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791944 344075539 /nfs/dbraw/zinc/07/55/39/344075539.db2.gz PQRFWZVOTKPHGA-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791944 344075541 /nfs/dbraw/zinc/07/55/41/344075541.db2.gz PQRFWZVOTKPHGA-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625791944 344075542 /nfs/dbraw/zinc/07/55/42/344075542.db2.gz PQRFWZVOTKPHGA-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625791944 344075543 /nfs/dbraw/zinc/07/55/43/344075543.db2.gz PQRFWZVOTKPHGA-LLVKDONJSA-N 2 1 230.352 0.267 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000335915618 344086165 /nfs/dbraw/zinc/08/61/65/344086165.db2.gz UHQJMTDQTGILKV-LBPRGKRZSA-N 2 1 211.353 0.718 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000335915617 344086430 /nfs/dbraw/zinc/08/64/30/344086430.db2.gz UHQJMTDQTGILKV-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735319 344121946 /nfs/dbraw/zinc/12/19/46/344121946.db2.gz CFBIBVHLBKPZOJ-QNWHQSFQSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735321 344122134 /nfs/dbraw/zinc/12/21/34/344122134.db2.gz CFBIBVHLBKPZOJ-ZDEQEGDKSA-N 2 1 224.348 0.953 20 0 BCADMP COC(=O)C(C)(C)CC[N@@H+](C)CCC[NH3+] ZINC000381201065 344186177 /nfs/dbraw/zinc/18/61/77/344186177.db2.gz CDAGAFYTOAAOAL-UHFFFAOYSA-N 2 1 216.325 0.856 20 0 BCADMP c1cc2c(nc[nH+]c2N2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000588897800 344198088 /nfs/dbraw/zinc/19/80/88/344198088.db2.gz MUROJOIYJAOJBQ-RKDXNWHRSA-N 2 1 229.287 0.614 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CSC[NH2+]1 ZINC000132019436 344267748 /nfs/dbraw/zinc/26/77/48/344267748.db2.gz LSLLVMLZUORYML-RKDXNWHRSA-N 2 1 231.365 0.283 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779081 344310960 /nfs/dbraw/zinc/31/09/60/344310960.db2.gz BZPOJOHTXZYJRN-FRRDWIJNSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779081 344310963 /nfs/dbraw/zinc/31/09/63/344310963.db2.gz BZPOJOHTXZYJRN-FRRDWIJNSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779081 344310965 /nfs/dbraw/zinc/31/09/65/344310965.db2.gz BZPOJOHTXZYJRN-FRRDWIJNSA-N 2 1 242.363 0.266 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000133320010 344317782 /nfs/dbraw/zinc/31/77/82/344317782.db2.gz XDBPZFYEIASWHE-UWVGGRQHSA-N 2 1 202.342 0.933 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000131812058 344334304 /nfs/dbraw/zinc/33/43/04/344334304.db2.gz KFZPMQYXQCCVFG-VIFPVBQESA-N 2 1 231.365 0.153 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000600706307 344360134 /nfs/dbraw/zinc/36/01/34/344360134.db2.gz UEZKHXYKBLCNQS-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000600712182 344361619 /nfs/dbraw/zinc/36/16/19/344361619.db2.gz XKRJXUNSQJLJPX-LLVKDONJSA-N 2 1 244.335 0.379 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C1=CC[N@@H+](C)CC1)[C@H](C)O ZINC000584287444 344421396 /nfs/dbraw/zinc/42/13/96/344421396.db2.gz KSTCZAMLCOUTKU-VWYCJHECSA-N 2 1 212.337 0.996 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000236825510 344406818 /nfs/dbraw/zinc/40/68/18/344406818.db2.gz DSTPJKKAPQZGJW-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP COC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394656 344452400 /nfs/dbraw/zinc/45/24/00/344452400.db2.gz ICEXTYTWQXHXFL-UHFFFAOYSA-N 2 1 214.309 0.433 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH2+]C ZINC000236910441 344455322 /nfs/dbraw/zinc/45/53/22/344455322.db2.gz VJWBCGUERNZPQK-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP COC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042519556 344457066 /nfs/dbraw/zinc/45/70/66/344457066.db2.gz PRMZYXSKTLODAM-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023750 344487142 /nfs/dbraw/zinc/48/71/42/344487142.db2.gz ZAMSGQAZDDQKKC-TUAOUCFPSA-N 2 1 239.363 0.713 20 0 BCADMP OCC[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000381552246 344520355 /nfs/dbraw/zinc/52/03/55/344520355.db2.gz NFJGKYMYMFQCHV-UHFFFAOYSA-N 2 1 244.404 0.928 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641413820 362404392 /nfs/dbraw/zinc/40/43/92/362404392.db2.gz QAUWYKJPSGXBAF-GHMZBOCLSA-N 2 1 242.367 0.315 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000044133121 344536187 /nfs/dbraw/zinc/53/61/87/344536187.db2.gz FMQMZVCZVYMUIE-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612001 344552587 /nfs/dbraw/zinc/55/25/87/344552587.db2.gz RDHPOTACKIEJDB-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000037649598 344555226 /nfs/dbraw/zinc/55/52/26/344555226.db2.gz JHPZQRJXYCGVEL-JQWIXIFHSA-N 2 1 237.347 0.339 20 0 BCADMP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[NH3+])CC[N@H+]1C ZINC000641474808 362443244 /nfs/dbraw/zinc/44/32/44/362443244.db2.gz LZAPWGUWYHTRNI-GHMZBOCLSA-N 2 1 242.367 0.315 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641426706 362410953 /nfs/dbraw/zinc/41/09/53/362410953.db2.gz VWPFKUJCPZJMEG-LLVKDONJSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641427526 362411893 /nfs/dbraw/zinc/41/18/93/362411893.db2.gz ZOOHFCWZSYFQJU-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425953 362412963 /nfs/dbraw/zinc/41/29/63/362412963.db2.gz QZZMPQHUESBCFV-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000641425690 362412993 /nfs/dbraw/zinc/41/29/93/362412993.db2.gz QTBPNINIZLRYNN-LPEHRKFASA-N 2 1 228.340 0.068 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000237067185 344588887 /nfs/dbraw/zinc/58/88/87/344588887.db2.gz INDQVYNDVMPBDX-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@@H+](CCn1ccnc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038732 344688353 /nfs/dbraw/zinc/68/83/53/344688353.db2.gz ADIJSINBKXOFNR-AOOOYVTPSA-N 2 1 222.292 0.079 20 0 BCADMP OC[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1CO ZINC000077317815 344816431 /nfs/dbraw/zinc/81/64/31/344816431.db2.gz NLFDFXLSEISWHZ-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CO ZINC000077317815 344816433 /nfs/dbraw/zinc/81/64/33/344816433.db2.gz NLFDFXLSEISWHZ-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248980764 537867448 /nfs/dbraw/zinc/86/74/48/537867448.db2.gz FPABELPOAZCBPY-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP Cc1n[nH]cc1C[NH2+]CCCN1CCC1 ZINC000583451443 344999285 /nfs/dbraw/zinc/99/92/85/344999285.db2.gz VAQXASMVAMDJJH-UHFFFAOYSA-N 2 1 208.309 0.904 20 0 BCADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154391444 345029998 /nfs/dbraw/zinc/02/99/98/345029998.db2.gz YBPKCSZAWMIGKM-WCQYABFASA-N 2 1 244.379 0.704 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000577073146 365804775 /nfs/dbraw/zinc/80/47/75/365804775.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000577073146 365804782 /nfs/dbraw/zinc/80/47/82/365804782.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000577073146 365804789 /nfs/dbraw/zinc/80/47/89/365804789.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000577073146 365804794 /nfs/dbraw/zinc/80/47/94/365804794.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000577073146 365804802 /nfs/dbraw/zinc/80/48/02/365804802.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000577073146 365804810 /nfs/dbraw/zinc/80/48/10/365804810.db2.gz KFKONVWUUIAQSK-LLVKDONJSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N(C)C ZINC000155853286 345110766 /nfs/dbraw/zinc/11/07/66/345110766.db2.gz HOFRLAXOHQZEIS-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N(C)C ZINC000155853286 345110768 /nfs/dbraw/zinc/11/07/68/345110768.db2.gz HOFRLAXOHQZEIS-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP CN(CC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000634992617 345181308 /nfs/dbraw/zinc/18/13/08/345181308.db2.gz VZPNPWBFDWHMSJ-HRDQMINSSA-N 2 1 235.375 0.907 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(CC34CC(C3)C[NH2+]4)[C@H]2C1 ZINC000634994575 345181966 /nfs/dbraw/zinc/18/19/66/345181966.db2.gz HQHSDNALBOUUEX-DKNRTOFZSA-N 2 1 235.375 0.764 20 0 BCADMP CN(Cc1cnc[nH]1)CC12CC(C1)C[NH2+]2 ZINC000634996873 345184380 /nfs/dbraw/zinc/18/43/80/345184380.db2.gz XQBDXUXFCGEDGF-UHFFFAOYSA-N 2 1 206.293 0.594 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995228 345184629 /nfs/dbraw/zinc/18/46/29/345184629.db2.gz YNFUHJNBDDTBRT-CHWSQXEVSA-N 3 1 225.380 0.903 20 0 BCADMP CC(C)[C@H](C[NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995228 345184631 /nfs/dbraw/zinc/18/46/31/345184631.db2.gz YNFUHJNBDDTBRT-CHWSQXEVSA-N 2 1 225.380 0.903 20 0 BCADMP CC1(CNCC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000634995879 345186059 /nfs/dbraw/zinc/18/60/59/345186059.db2.gz RSXFQQGVFSXIHM-UHFFFAOYSA-N 2 1 223.364 0.718 20 0 BCADMP OC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCOC1 ZINC000634996692 345191054 /nfs/dbraw/zinc/19/10/54/345191054.db2.gz QRUJWHPBFHXRLJ-QZQSVVMZSA-N 2 1 240.347 0.116 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000634996922 345186785 /nfs/dbraw/zinc/18/67/85/345186785.db2.gz YYCINICNEMFQFU-GARJFASQSA-N 3 1 201.358 0.933 20 0 BCADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634951698 345128105 /nfs/dbraw/zinc/12/81/05/345128105.db2.gz DEZUMSQIVVGRDA-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@]12COC[C@@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996626 345191426 /nfs/dbraw/zinc/19/14/26/345191426.db2.gz PQOZZSQKTXNWPO-ZFQMDJOTSA-N 2 1 222.332 0.707 20 0 BCADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634966369 345138654 /nfs/dbraw/zinc/13/86/54/345138654.db2.gz KSWYEANNUUTOFM-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634966369 345138656 /nfs/dbraw/zinc/13/86/56/345138656.db2.gz KSWYEANNUUTOFM-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635138351 345256755 /nfs/dbraw/zinc/25/67/55/345256755.db2.gz WPRMXELVDVERHM-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996626 345191430 /nfs/dbraw/zinc/19/14/30/345191430.db2.gz PQOZZSQKTXNWPO-ZFQMDJOTSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993834 345192084 /nfs/dbraw/zinc/19/20/84/345192084.db2.gz HQLTXGWMTMHSAP-UTUOFQBUSA-N 3 1 211.353 0.369 20 0 BCADMP CC(C)[C@H](C[NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993834 345192085 /nfs/dbraw/zinc/19/20/85/345192085.db2.gz HQLTXGWMTMHSAP-UTUOFQBUSA-N 2 1 211.353 0.369 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994216 345192604 /nfs/dbraw/zinc/19/26/04/345192604.db2.gz VWOFQFXFBXWPOL-ZSVAQUKISA-N 2 1 223.364 0.763 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@H+]1C ZINC000565042190 345194195 /nfs/dbraw/zinc/19/41/95/345194195.db2.gz XTJUMPKPOBKWKL-WGBDABJCSA-N 2 1 237.347 0.337 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999556 345200621 /nfs/dbraw/zinc/20/06/21/345200621.db2.gz WCJVOCGKHDEBHF-WCBMZHEXSA-N 2 1 208.309 0.745 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000381323837 345322549 /nfs/dbraw/zinc/32/25/49/345322549.db2.gz PZJBQIPYVIVSOM-LURJTMIESA-N 2 1 228.321 0.069 20 0 BCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000635255884 345289082 /nfs/dbraw/zinc/28/90/82/345289082.db2.gz YCUHWQDGPVPUAW-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000635328522 345309622 /nfs/dbraw/zinc/30/96/22/345309622.db2.gz PCMYYCNBNCVSCB-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529318 345345801 /nfs/dbraw/zinc/34/58/01/345345801.db2.gz KQCMRFTWAQBPCZ-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000158550769 345347754 /nfs/dbraw/zinc/34/77/54/345347754.db2.gz NHOBNWLZICSKHF-OUAUKWLOSA-N 2 1 225.336 0.337 20 0 BCADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635449792 345376335 /nfs/dbraw/zinc/37/63/35/345376335.db2.gz HZLXWCZQDBMSQI-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(=O)N(C)C ZINC000381353824 345451745 /nfs/dbraw/zinc/45/17/45/345451745.db2.gz CLMOQOKUPDTURS-MXWKQRLJSA-N 2 1 227.352 0.535 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600972169 345541256 /nfs/dbraw/zinc/54/12/56/345541256.db2.gz XELRKSAZFBLHDG-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600972169 345541258 /nfs/dbraw/zinc/54/12/58/345541258.db2.gz XELRKSAZFBLHDG-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600972169 345541260 /nfs/dbraw/zinc/54/12/60/345541260.db2.gz XELRKSAZFBLHDG-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600972169 345541262 /nfs/dbraw/zinc/54/12/62/345541262.db2.gz XELRKSAZFBLHDG-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(CO)COC1 ZINC000089128031 345548121 /nfs/dbraw/zinc/54/81/21/345548121.db2.gz OKWMFHLNDNWBGT-LBPRGKRZSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(CO)COC1 ZINC000089128031 345548123 /nfs/dbraw/zinc/54/81/23/345548123.db2.gz OKWMFHLNDNWBGT-LBPRGKRZSA-N 2 1 242.363 0.269 20 0 BCADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(CO)COC1 ZINC000089128031 345548127 /nfs/dbraw/zinc/54/81/27/345548127.db2.gz OKWMFHLNDNWBGT-LBPRGKRZSA-N 2 1 242.363 0.269 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635550171 345595118 /nfs/dbraw/zinc/59/51/18/345595118.db2.gz CSSXNMITJGOVKL-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135569 323094660 /nfs/dbraw/zinc/09/46/60/323094660.db2.gz QREZUACTUNUMRS-GRYCIOLGSA-N 3 1 211.353 0.716 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccncc1N ZINC000641714341 362630083 /nfs/dbraw/zinc/63/00/83/362630083.db2.gz ZDZITHNPTUWVSO-UHFFFAOYSA-N 2 1 231.303 0.959 20 0 BCADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000143361650 345706587 /nfs/dbraw/zinc/70/65/87/345706587.db2.gz SYDAGYXULCNACF-GFCCVEGCSA-N 2 1 234.347 0.719 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000635558451 345735781 /nfs/dbraw/zinc/73/57/81/345735781.db2.gz LFWMXKIJPYCUBU-NXEZZACHSA-N 2 1 213.325 0.147 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000236080946 537910264 /nfs/dbraw/zinc/91/02/64/537910264.db2.gz NQIQYZHRYONNRM-GFCCVEGCSA-N 2 1 222.336 0.633 20 0 BCADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635571787 345825174 /nfs/dbraw/zinc/82/51/74/345825174.db2.gz YUAWTYUMNQRPBP-VXGBXAGGSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635602285 345888272 /nfs/dbraw/zinc/88/82/72/345888272.db2.gz GYZDJBLWVRFVIG-UTUOFQBUSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000563160311 323097427 /nfs/dbraw/zinc/09/74/27/323097427.db2.gz JLLMYQMDIYQLSH-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635607654 345890724 /nfs/dbraw/zinc/89/07/24/345890724.db2.gz PTRRBQVEVQTJPT-LLVKDONJSA-N 2 1 245.367 0.021 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000635636036 345910793 /nfs/dbraw/zinc/91/07/93/345910793.db2.gz XBENFMBNQYXGDJ-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]CCC(=O)N(C)CCCn1cc[nH+]c1C ZINC000570959894 323101571 /nfs/dbraw/zinc/10/15/71/323101571.db2.gz GXUDRIRRAMRAGM-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000635781286 346055772 /nfs/dbraw/zinc/05/57/72/346055772.db2.gz ZNHZVHLGTLQRJQ-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000635781288 346055926 /nfs/dbraw/zinc/05/59/26/346055926.db2.gz ZNHZVHLGTLQRJQ-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@H+]1C ZINC000635863046 346096540 /nfs/dbraw/zinc/09/65/40/346096540.db2.gz BSVJXPUDEDJCTM-VXGBXAGGSA-N 2 1 241.379 0.735 20 0 BCADMP C[N@@H+]1CC[C@@H](CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000635945055 346118923 /nfs/dbraw/zinc/11/89/23/346118923.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 1 248.330 0.636 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000635945055 346118926 /nfs/dbraw/zinc/11/89/26/346118926.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 1 248.330 0.636 20 0 BCADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000635953858 346123104 /nfs/dbraw/zinc/12/31/04/346123104.db2.gz NTDHQWDUTMNAEL-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000636029766 346164234 /nfs/dbraw/zinc/16/42/34/346164234.db2.gz NGTXLLBKZUMLQT-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000636029766 346164236 /nfs/dbraw/zinc/16/42/36/346164236.db2.gz NGTXLLBKZUMLQT-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000636029766 346164238 /nfs/dbraw/zinc/16/42/38/346164238.db2.gz NGTXLLBKZUMLQT-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000636029766 346164242 /nfs/dbraw/zinc/16/42/42/346164242.db2.gz NGTXLLBKZUMLQT-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000636034026 346170553 /nfs/dbraw/zinc/17/05/53/346170553.db2.gz FMAIGKIUQVBITM-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626518 349950794 /nfs/dbraw/zinc/95/07/94/349950794.db2.gz QIDNCFGJJNAGML-ZJUUUORDSA-N 2 1 213.325 0.311 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccncc1N ZINC000641775594 362716048 /nfs/dbraw/zinc/71/60/48/362716048.db2.gz NMZLDWQJUIFAMI-UHFFFAOYSA-N 2 1 231.303 0.730 20 0 BCADMP C[NH2+]C1CCN(CCc2c[nH+]cn2C)CC1 ZINC000641797199 362743539 /nfs/dbraw/zinc/74/35/39/362743539.db2.gz XSQFMCQPCLIKAV-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[NH2+]C1CC[NH+](CCc2cncn2C)CC1 ZINC000641797199 362743542 /nfs/dbraw/zinc/74/35/42/362743542.db2.gz XSQFMCQPCLIKAV-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCc1c[nH+]cn1C ZINC000641798620 362744200 /nfs/dbraw/zinc/74/42/00/362744200.db2.gz KDUCSXRSMPZVJX-WDEREUQCSA-N 2 1 222.336 0.645 20 0 BCADMP CN(CCc1c[nH+]cn1C)[C@@H](C[NH3+])C1CC1 ZINC000641797697 362744289 /nfs/dbraw/zinc/74/42/89/362744289.db2.gz GFVFPPBQGKCXHQ-LBPRGKRZSA-N 2 1 222.336 0.632 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCc1cncn1C ZINC000641798717 362746564 /nfs/dbraw/zinc/74/65/64/362746564.db2.gz HJOSYZUYDYAACX-UHFFFAOYSA-N 3 1 210.325 0.504 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCc1cncn1C ZINC000641798717 362746567 /nfs/dbraw/zinc/74/65/67/362746567.db2.gz HJOSYZUYDYAACX-UHFFFAOYSA-N 3 1 210.325 0.504 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000641799543 362748111 /nfs/dbraw/zinc/74/81/11/362748111.db2.gz WYGGJQQJCYGFDX-MNOVXSKESA-N 2 1 222.336 0.632 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)CC[NH2+]1 ZINC000641796751 362740012 /nfs/dbraw/zinc/74/00/12/362740012.db2.gz IWTBXUSOBVZLDW-SNVBAGLBSA-N 2 1 208.309 0.256 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641797115 362741345 /nfs/dbraw/zinc/74/13/45/362741345.db2.gz UXCRSIPZGQSPOR-SNVBAGLBSA-N 2 1 208.309 0.256 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805538 362763217 /nfs/dbraw/zinc/76/32/17/362763217.db2.gz NKWVHZUTGLTIAB-IVZWLZJFSA-N 2 1 227.352 0.617 20 0 BCADMP CC[C@H]([NH2+]C[C@@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000574981266 346489575 /nfs/dbraw/zinc/48/95/75/346489575.db2.gz MIBYMSMHNGJTGT-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000641802366 362759338 /nfs/dbraw/zinc/75/93/38/362759338.db2.gz JPBZTGICUWECEZ-QWRGUYRKSA-N 2 1 239.363 0.618 20 0 BCADMP C[C@@H]1CC[C@@H](CN)[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805706 362759375 /nfs/dbraw/zinc/75/93/75/362759375.db2.gz GMLDLTWXYNVPCA-UTUOFQBUSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805706 362759376 /nfs/dbraw/zinc/75/93/76/362759376.db2.gz GMLDLTWXYNVPCA-UTUOFQBUSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805706 362759380 /nfs/dbraw/zinc/75/93/80/362759380.db2.gz GMLDLTWXYNVPCA-UTUOFQBUSA-N 3 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805706 362759383 /nfs/dbraw/zinc/75/93/83/362759383.db2.gz GMLDLTWXYNVPCA-UTUOFQBUSA-N 3 1 229.368 0.409 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)NCC2CCC2)C[C@@H]1[NH3+] ZINC000641802367 362760443 /nfs/dbraw/zinc/76/04/43/362760443.db2.gz JPBZTGICUWECEZ-WDEREUQCSA-N 2 1 239.363 0.618 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100615 /nfs/dbraw/zinc/10/06/15/347100615.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100616 /nfs/dbraw/zinc/10/06/16/347100616.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100618 /nfs/dbraw/zinc/10/06/18/347100618.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 1 230.352 0.002 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542511 /nfs/dbraw/zinc/54/25/11/346542511.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542513 /nfs/dbraw/zinc/54/25/13/346542513.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542516 /nfs/dbraw/zinc/54/25/16/346542516.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542518 /nfs/dbraw/zinc/54/25/18/346542518.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+]1CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000580209661 346675186 /nfs/dbraw/zinc/67/51/86/346675186.db2.gz CPMSZKITOCXSPW-QMMMGPOBSA-N 2 1 235.278 0.038 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000580209661 346675188 /nfs/dbraw/zinc/67/51/88/346675188.db2.gz CPMSZKITOCXSPW-QMMMGPOBSA-N 2 1 235.278 0.038 20 0 BCADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1CO ZINC000622003594 370654455 /nfs/dbraw/zinc/65/44/55/370654455.db2.gz BZPDBNPLRXYQQT-VHSXEESVSA-N 2 1 200.326 0.674 20 0 BCADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000641821559 362771031 /nfs/dbraw/zinc/77/10/31/362771031.db2.gz LNSZWVFHZPGZRY-VXGBXAGGSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000641821559 362771036 /nfs/dbraw/zinc/77/10/36/362771036.db2.gz LNSZWVFHZPGZRY-VXGBXAGGSA-N 2 1 220.320 0.765 20 0 BCADMP CC[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571106574 323135716 /nfs/dbraw/zinc/13/57/16/323135716.db2.gz KFNGEANNPPANDH-AEJSXWLSSA-N 2 1 211.309 0.029 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC/C=C\C[NH3+] ZINC000641863057 362791865 /nfs/dbraw/zinc/79/18/65/362791865.db2.gz XBMLFYKQYPWZIW-WYGGZMRJSA-N 2 1 240.351 0.237 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353186204 187372830 /nfs/dbraw/zinc/37/28/30/187372830.db2.gz QJVWSSFZILVPQR-JLLWLGSASA-N 2 1 239.363 0.569 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000149518713 347294585 /nfs/dbraw/zinc/29/45/85/347294585.db2.gz YVUANKJTPPMGEE-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](OC)C1 ZINC000571337261 323141794 /nfs/dbraw/zinc/14/17/94/323141794.db2.gz SIXOYZDNNSBSAX-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000053197139 347438480 /nfs/dbraw/zinc/43/84/80/347438480.db2.gz BNMDGABJFWOCDK-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000020264481 347438522 /nfs/dbraw/zinc/43/85/22/347438522.db2.gz SHVRJXKGRCICQX-LBPRGKRZSA-N 2 1 208.305 0.746 20 0 BCADMP CN(Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000616925413 347456936 /nfs/dbraw/zinc/45/69/36/347456936.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 1 222.292 0.320 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000616925413 347456938 /nfs/dbraw/zinc/45/69/38/347456938.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 1 222.292 0.320 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000616925413 347456940 /nfs/dbraw/zinc/45/69/40/347456940.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 1 222.292 0.320 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726585 347692520 /nfs/dbraw/zinc/69/25/20/347692520.db2.gz QLKCCKXFEYXOOX-QJPTWQEYSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000591456796 347665036 /nfs/dbraw/zinc/66/50/36/347665036.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000591456796 347665039 /nfs/dbraw/zinc/66/50/39/347665039.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000591456796 347665042 /nfs/dbraw/zinc/66/50/42/347665042.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000308534945 347820058 /nfs/dbraw/zinc/82/00/58/347820058.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000308534945 347820065 /nfs/dbraw/zinc/82/00/65/347820065.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000308534945 347820066 /nfs/dbraw/zinc/82/00/66/347820066.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 2 1 200.326 0.641 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492333 347787446 /nfs/dbraw/zinc/78/74/46/347787446.db2.gz YSZJWHOUHNUXJQ-RYUDHWBXSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492334 347787941 /nfs/dbraw/zinc/78/79/41/347787941.db2.gz YSZJWHOUHNUXJQ-VXGBXAGGSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1C1CC1 ZINC000593316214 347881408 /nfs/dbraw/zinc/88/14/08/347881408.db2.gz BBRGEUSBILFRAQ-WDEREUQCSA-N 2 1 240.347 0.855 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC(C)C1 ZINC000577386872 365941781 /nfs/dbraw/zinc/94/17/81/365941781.db2.gz VUKYAYHFGWIPMG-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386872 365941783 /nfs/dbraw/zinc/94/17/83/365941783.db2.gz VUKYAYHFGWIPMG-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386872 365941786 /nfs/dbraw/zinc/94/17/86/365941786.db2.gz VUKYAYHFGWIPMG-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594555403 348069031 /nfs/dbraw/zinc/06/90/31/348069031.db2.gz DAZJVZOIHFSSPX-OUAUKWLOSA-N 2 1 228.336 0.868 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC1 ZINC000594739304 348110588 /nfs/dbraw/zinc/11/05/88/348110588.db2.gz UINSNXBVYQERJP-QWRGUYRKSA-N 2 1 237.347 0.420 20 0 BCADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000594917900 348153300 /nfs/dbraw/zinc/15/33/00/348153300.db2.gz LHVOQMHBECPMEQ-MVWJERBFSA-N 2 1 240.347 0.868 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417614889 323177669 /nfs/dbraw/zinc/17/76/69/323177669.db2.gz WFIYALGGKZYEMP-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648663 348241833 /nfs/dbraw/zinc/24/18/33/348241833.db2.gz JDOJVJZCJLDTCU-GHMZBOCLSA-N 2 1 225.336 0.006 20 0 BCADMP CC(C)[NH+]1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC000037207464 187392485 /nfs/dbraw/zinc/39/24/85/187392485.db2.gz GGWLPWUQUVGXFG-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726756 187394189 /nfs/dbraw/zinc/39/41/89/187394189.db2.gz XIXZOYXWRJCXHL-CMPLNLGQSA-N 2 1 239.363 0.713 20 0 BCADMP CS[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309101361 349986557 /nfs/dbraw/zinc/98/65/57/349986557.db2.gz JGSNAYXXAFMVLH-KOLCDFICSA-N 2 1 232.393 0.783 20 0 BCADMP CS[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101361 349986559 /nfs/dbraw/zinc/98/65/59/349986559.db2.gz JGSNAYXXAFMVLH-KOLCDFICSA-N 2 1 232.393 0.783 20 0 BCADMP CC(C)OC(=O)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595897392 348393923 /nfs/dbraw/zinc/39/39/23/348393923.db2.gz WTNMDWXYFVLWPF-UHFFFAOYSA-N 2 1 244.335 0.032 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC3CCC3)CCN2C1=O ZINC000595902941 348395003 /nfs/dbraw/zinc/39/50/03/348395003.db2.gz JHGVTAGLYFAJKM-RYUDHWBXSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC3CCC3)CCN2C1=O ZINC000595902942 348395465 /nfs/dbraw/zinc/39/54/65/348395465.db2.gz JHGVTAGLYFAJKM-VXGBXAGGSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC3CCC3)CCN2C1=O ZINC000595902939 348395603 /nfs/dbraw/zinc/39/56/03/348395603.db2.gz JHGVTAGLYFAJKM-NEPJUHHUSA-N 2 1 237.347 0.420 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000595905655 348396466 /nfs/dbraw/zinc/39/64/66/348396466.db2.gz WRGZHJIDWXJOTD-SDDRHHMPSA-N 2 1 240.347 0.727 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000535824950 323192629 /nfs/dbraw/zinc/19/26/29/323192629.db2.gz RCCSDGMZGLJANH-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000535824950 323192630 /nfs/dbraw/zinc/19/26/30/323192630.db2.gz RCCSDGMZGLJANH-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000250649849 349178119 /nfs/dbraw/zinc/17/81/19/349178119.db2.gz WJNBSZLJNHEZPT-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000251126011 349182630 /nfs/dbraw/zinc/18/26/30/349182630.db2.gz SFSBBDOXYZOISZ-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@H](N[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453148 538034677 /nfs/dbraw/zinc/03/46/77/538034677.db2.gz KSAPQFGJIOEMIJ-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252123950 349197295 /nfs/dbraw/zinc/19/72/95/349197295.db2.gz LEAFDMPDRAXVEF-KXNHARMFSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000082924273 349249575 /nfs/dbraw/zinc/24/95/75/349249575.db2.gz VMWKFAXSSPBGPZ-VIFPVBQESA-N 2 1 223.324 0.905 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619341 350029697 /nfs/dbraw/zinc/02/96/97/350029697.db2.gz CBSHRYJAPUDERY-GFCCVEGCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCSC1)C1CC1 ZINC000309119798 350036006 /nfs/dbraw/zinc/03/60/06/350036006.db2.gz SQOIFUXULRPRKE-GXSJLCMTSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCSC1)C1CC1 ZINC000309119798 350036008 /nfs/dbraw/zinc/03/60/08/350036008.db2.gz SQOIFUXULRPRKE-GXSJLCMTSA-N 2 1 230.377 0.537 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000070800167 350059482 /nfs/dbraw/zinc/05/94/82/350059482.db2.gz QUXJSPVDUHJDDL-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000070799954 350061143 /nfs/dbraw/zinc/06/11/43/350061143.db2.gz QEOCJNQTROQCRF-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000070799954 350061145 /nfs/dbraw/zinc/06/11/45/350061145.db2.gz QEOCJNQTROQCRF-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945391 490297584 /nfs/dbraw/zinc/29/75/84/490297584.db2.gz HOZUDCICINUDKJ-OPRDCNLKSA-N 2 1 213.325 0.323 20 0 BCADMP COCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000131974755 191019986 /nfs/dbraw/zinc/01/99/86/191019986.db2.gz PYCISRSOMRCECU-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCSC1 ZINC000131417718 191023352 /nfs/dbraw/zinc/02/33/52/191023352.db2.gz TYXRDQVEPUEHHY-VHSXEESVSA-N 2 1 218.366 0.394 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132172903 191026473 /nfs/dbraw/zinc/02/64/73/191026473.db2.gz LKXUAQDDMVDUNY-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132172903 191026476 /nfs/dbraw/zinc/02/64/76/191026476.db2.gz LKXUAQDDMVDUNY-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](CCO)CCCO ZINC000314068869 350166043 /nfs/dbraw/zinc/16/60/43/350166043.db2.gz WMUJKBCGXLBWJO-UHFFFAOYSA-N 2 1 241.335 0.029 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)CCCO ZINC000314068869 350166045 /nfs/dbraw/zinc/16/60/45/350166045.db2.gz WMUJKBCGXLBWJO-UHFFFAOYSA-N 2 1 241.335 0.029 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309209840 350191805 /nfs/dbraw/zinc/19/18/05/350191805.db2.gz DFCNWVWORTVYDM-GRYCIOLGSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309209844 350191824 /nfs/dbraw/zinc/19/18/24/350191824.db2.gz DFCNWVWORTVYDM-SDDRHHMPSA-N 2 1 230.352 0.314 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](CC(N)=O)C(C)C ZINC000269125719 180238946 /nfs/dbraw/zinc/23/89/46/180238946.db2.gz CQNYQIUXXIAMMH-UHFFFAOYSA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](CC(N)=O)C(C)C ZINC000269125719 180238948 /nfs/dbraw/zinc/23/89/48/180238948.db2.gz CQNYQIUXXIAMMH-UHFFFAOYSA-N 2 1 238.335 0.777 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(N)=O ZINC000267260067 180247953 /nfs/dbraw/zinc/24/79/53/180247953.db2.gz PWKIJCYBQVZEDW-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CC(N)=O)CC(C)C ZINC000270845534 180249051 /nfs/dbraw/zinc/24/90/51/180249051.db2.gz ONFVXYVXCHAMSA-UHFFFAOYSA-N 2 1 238.335 0.635 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CC(N)=O)CC(C)C ZINC000270845534 180249055 /nfs/dbraw/zinc/24/90/55/180249055.db2.gz ONFVXYVXCHAMSA-UHFFFAOYSA-N 2 1 238.335 0.635 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000270917989 180250010 /nfs/dbraw/zinc/25/00/10/180250010.db2.gz UORQVLMFYVHQSL-NSHDSACASA-N 2 1 236.319 0.354 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000270917989 180250012 /nfs/dbraw/zinc/25/00/12/180250012.db2.gz UORQVLMFYVHQSL-NSHDSACASA-N 2 1 236.319 0.354 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)CCOCCO ZINC000282299722 180251935 /nfs/dbraw/zinc/25/19/35/180251935.db2.gz GDOGDKXQTYUIGV-UHFFFAOYSA-N 2 1 227.308 0.132 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOCCO ZINC000282299722 180251938 /nfs/dbraw/zinc/25/19/38/180251938.db2.gz GDOGDKXQTYUIGV-UHFFFAOYSA-N 2 1 227.308 0.132 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000270917987 180252363 /nfs/dbraw/zinc/25/23/63/180252363.db2.gz UORQVLMFYVHQSL-LLVKDONJSA-N 2 1 236.319 0.354 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000270917987 180252364 /nfs/dbraw/zinc/25/23/64/180252364.db2.gz UORQVLMFYVHQSL-LLVKDONJSA-N 2 1 236.319 0.354 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000261584177 180258238 /nfs/dbraw/zinc/25/82/38/180258238.db2.gz PNETZPALQNSDTH-DTWKUNHWSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261544968 180258849 /nfs/dbraw/zinc/25/88/49/180258849.db2.gz FKYTXDAZFDJBKS-QWRGUYRKSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[C@H]([NH3+])C1 ZINC000309526106 180241791 /nfs/dbraw/zinc/24/17/91/180241791.db2.gz BXJNPJMBSNKNGI-NSHDSACASA-N 2 1 208.309 0.615 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368339806 180242320 /nfs/dbraw/zinc/24/23/20/180242320.db2.gz VZINAHKUSOAVBP-ITGUQSILSA-N 2 1 235.331 0.752 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368339806 180242323 /nfs/dbraw/zinc/24/23/23/180242323.db2.gz VZINAHKUSOAVBP-ITGUQSILSA-N 2 1 235.331 0.752 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261584178 180259953 /nfs/dbraw/zinc/25/99/53/180259953.db2.gz PNETZPALQNSDTH-IUCAKERBSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C[C@H](C)[NH3+] ZINC000340183676 180244901 /nfs/dbraw/zinc/24/49/01/180244901.db2.gz IIPGLXLZNWLQNL-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H](C)[NH3+] ZINC000178718160 180263971 /nfs/dbraw/zinc/26/39/71/180263971.db2.gz UCUYZQJYTFDGJW-IUCAKERBSA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(N)=O ZINC000267274223 180267833 /nfs/dbraw/zinc/26/78/33/180267833.db2.gz TUQOEZCOESUKFJ-ZJUUUORDSA-N 2 1 238.335 0.681 20 0 BCADMP CCN1CCC([N@@H+](C)C[C@@H](O)COC)CC1 ZINC000068891202 350300244 /nfs/dbraw/zinc/30/02/44/350300244.db2.gz SESXTEGKKVWRTF-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COC)CC1 ZINC000068891202 350300245 /nfs/dbraw/zinc/30/02/45/350300245.db2.gz SESXTEGKKVWRTF-GFCCVEGCSA-N 2 1 230.352 0.410 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000069277104 350351600 /nfs/dbraw/zinc/35/16/00/350351600.db2.gz XGIKGKCBBWDIIM-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000069277104 350351602 /nfs/dbraw/zinc/35/16/02/350351602.db2.gz XGIKGKCBBWDIIM-CYBMUJFWSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000069840048 350414864 /nfs/dbraw/zinc/41/48/64/350414864.db2.gz PVZVFMCWJAFAEE-ZJUUUORDSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](NCCn1ccnc1)c1nccn1C ZINC000070007986 350492273 /nfs/dbraw/zinc/49/22/73/350492273.db2.gz XRSMPQQYTYUXRQ-SNVBAGLBSA-N 2 1 219.292 0.967 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220411264 490599259 /nfs/dbraw/zinc/59/92/59/490599259.db2.gz YNEKCDCLDGMGAA-OFLUOSHYSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@H](CCCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309480476 350564819 /nfs/dbraw/zinc/56/48/19/350564819.db2.gz VVLYWHWSRUCZHI-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](CCCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309480476 350564823 /nfs/dbraw/zinc/56/48/23/350564823.db2.gz VVLYWHWSRUCZHI-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CO)C1CC1 ZINC000393774084 490689265 /nfs/dbraw/zinc/68/92/65/490689265.db2.gz JARFFTZWSWRIML-NSHDSACASA-N 2 1 230.352 0.050 20 0 BCADMP CC[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000339203592 350739892 /nfs/dbraw/zinc/73/98/92/350739892.db2.gz JJYCGOXYHHUDIH-CYBMUJFWSA-N 2 1 245.411 0.573 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C ZINC000617347367 350813656 /nfs/dbraw/zinc/81/36/56/350813656.db2.gz KZMWJXVJYWGAEF-QWRGUYRKSA-N 2 1 241.379 0.926 20 0 BCADMP CCn1nncc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085994 350843217 /nfs/dbraw/zinc/84/32/17/350843217.db2.gz RMZIYCDNTOJNQJ-UHFFFAOYSA-N 2 1 234.307 0.364 20 0 BCADMP OCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952355 350872127 /nfs/dbraw/zinc/87/21/27/350872127.db2.gz RHKBYLJJUJZCSV-UHFFFAOYSA-N 2 1 212.337 0.929 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C\CO)CC1(C)C ZINC000623563997 362989304 /nfs/dbraw/zinc/98/93/04/362989304.db2.gz PDGFOWGAQAPFQA-DOGVGXBMSA-N 2 1 212.337 0.997 20 0 BCADMP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC[C@@H]1CCCO1 ZINC000607357263 351331551 /nfs/dbraw/zinc/33/15/51/351331551.db2.gz WGOXRASBFUVZAE-AVGNSLFASA-N 2 1 240.347 0.333 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NCC(C)(C)[NH3+] ZINC000420193649 192173561 /nfs/dbraw/zinc/17/35/61/192173561.db2.gz CZWREUMJOBCLQQ-UHFFFAOYSA-N 2 1 237.303 0.829 20 0 BCADMP Cc1cn2c(n1)C[C@H](C(=O)N1CCNCC1)CC2 ZINC000637801458 351632542 /nfs/dbraw/zinc/63/25/42/351632542.db2.gz MXABXMJTBNWPLV-LLVKDONJSA-N 2 1 248.330 0.186 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1CC[NH2+]CC1 ZINC000637805208 351644597 /nfs/dbraw/zinc/64/45/97/351644597.db2.gz KVIVMWCADRBEAN-UHFFFAOYSA-N 2 1 236.319 0.307 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637816581 351656759 /nfs/dbraw/zinc/65/67/59/351656759.db2.gz JOMJPRPGYCLRER-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817002 351657673 /nfs/dbraw/zinc/65/76/73/351657673.db2.gz QEXCRUPCHCNDLL-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH3+])CC1 ZINC000637819413 351659479 /nfs/dbraw/zinc/65/94/79/351659479.db2.gz NNJUQEILKKGSOB-UHFFFAOYSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637832096 351680966 /nfs/dbraw/zinc/68/09/66/351680966.db2.gz FVGKNQZISRKTPZ-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637836467 351687144 /nfs/dbraw/zinc/68/71/44/351687144.db2.gz PMAFLOBCHNWSGT-SNVBAGLBSA-N 2 1 222.292 0.012 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637836190 351687741 /nfs/dbraw/zinc/68/77/41/351687741.db2.gz NDFYPTXWYXGMOU-SNVBAGLBSA-N 2 1 222.292 0.012 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637840167 351695042 /nfs/dbraw/zinc/69/50/42/351695042.db2.gz DQFHDMGGFRTVOP-AAEUAGOBSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000637840310 351695503 /nfs/dbraw/zinc/69/55/03/351695503.db2.gz GKEFTXYDOLHUFW-ZWNOBZJWSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000637841397 351697366 /nfs/dbraw/zinc/69/73/66/351697366.db2.gz OPHWUHLVBUXDKM-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637841907 351698233 /nfs/dbraw/zinc/69/82/33/351698233.db2.gz MPLQXJUKJLLESD-GFCCVEGCSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000637842332 351699224 /nfs/dbraw/zinc/69/92/24/351699224.db2.gz UQZVXKOVHWFUPZ-SECBINFHSA-N 2 1 222.292 0.012 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637844956 351700602 /nfs/dbraw/zinc/70/06/02/351700602.db2.gz SXPZYOLXLGUVIC-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637843773 351703041 /nfs/dbraw/zinc/70/30/41/351703041.db2.gz HEJBIJPOWPLNCE-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000637822331 351666635 /nfs/dbraw/zinc/66/66/35/351666635.db2.gz JUOJPRLKISPTAN-NSHDSACASA-N 2 1 241.379 0.772 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000637822232 351666676 /nfs/dbraw/zinc/66/66/76/351666676.db2.gz ILEMOAQEHKAITI-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH3+])CC[N@H+]1C ZINC000637857802 351718571 /nfs/dbraw/zinc/71/85/71/351718571.db2.gz PRSCZXXRQRTRQV-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)Cn1c[nH+]cc1C ZINC000637866175 351726547 /nfs/dbraw/zinc/72/65/47/351726547.db2.gz JGIXBJPKASWIOL-LLVKDONJSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852672 351711903 /nfs/dbraw/zinc/71/19/03/351711903.db2.gz WWDIXKSLMADQCF-GFCCVEGCSA-N 2 1 238.335 0.681 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049843 351927489 /nfs/dbraw/zinc/92/74/89/351927489.db2.gz OZHWCLXCMMLBGU-RYUDHWBXSA-N 2 1 237.347 0.634 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000638075830 351947962 /nfs/dbraw/zinc/94/79/62/351947962.db2.gz UOEQKKPVFLSZNK-AGIUHOORSA-N 2 1 249.358 0.777 20 0 BCADMP O=C(CCC1C[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000638062098 351934137 /nfs/dbraw/zinc/93/41/37/351934137.db2.gz KBEZLAXGWBBOQD-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000638068041 351937855 /nfs/dbraw/zinc/93/78/55/351937855.db2.gz ALQOGZUEHHGHME-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071263 351943397 /nfs/dbraw/zinc/94/33/97/351943397.db2.gz BBWYHTIAXCBYAG-ZYHUDNBSSA-N 2 1 237.347 0.492 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638071654 351943592 /nfs/dbraw/zinc/94/35/92/351943592.db2.gz HAVPFXRCZISNTB-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000638071934 351943821 /nfs/dbraw/zinc/94/38/21/351943821.db2.gz IJINOKZVCISONS-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638072295 351944546 /nfs/dbraw/zinc/94/45/46/351944546.db2.gz MGRJNUMINKYLPK-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000638080104 351953598 /nfs/dbraw/zinc/95/35/98/351953598.db2.gz YOXJDFZSBDUCSW-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847021 351957410 /nfs/dbraw/zinc/95/74/10/351957410.db2.gz IQQSQWNUGKQBDL-UBJLHIIHSA-N 2 1 225.336 0.465 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086691 351963823 /nfs/dbraw/zinc/96/38/23/351963823.db2.gz UMSZVIQSYHQWDI-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097962 351979519 /nfs/dbraw/zinc/97/95/19/351979519.db2.gz YHDQPAAEWDSUNQ-LLVKDONJSA-N 2 1 225.336 0.490 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097963 351980149 /nfs/dbraw/zinc/98/01/49/351980149.db2.gz YHDQPAAEWDSUNQ-NSHDSACASA-N 2 1 225.336 0.490 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000638100579 351980469 /nfs/dbraw/zinc/98/04/69/351980469.db2.gz KFRATBXVYWMEBL-ZJUUUORDSA-N 2 1 227.352 0.583 20 0 BCADMP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638102216 351983629 /nfs/dbraw/zinc/98/36/29/351983629.db2.gz UCQOPOZCGBAZCS-DGCLKSJQSA-N 2 1 249.358 0.729 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000638126911 351998096 /nfs/dbraw/zinc/99/80/96/351998096.db2.gz RNLCDWRRNNYSAO-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000638133517 352000981 /nfs/dbraw/zinc/00/09/81/352000981.db2.gz IIGXRRQEFNXQPG-HOSYDEDBSA-N 2 1 239.363 0.583 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000638136333 352003002 /nfs/dbraw/zinc/00/30/02/352003002.db2.gz YDEJZEDFWCVKEW-AXFHLTTASA-N 2 1 239.363 0.726 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638212927 352075244 /nfs/dbraw/zinc/07/52/44/352075244.db2.gz AWBSWIHGTVZPQU-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638197109 352059482 /nfs/dbraw/zinc/05/94/82/352059482.db2.gz FULNKBPIXNZIAA-MNOVXSKESA-N 2 1 236.319 0.578 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638201035 352061674 /nfs/dbraw/zinc/06/16/74/352061674.db2.gz ACTGEQGJINVTAA-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638204086 352065990 /nfs/dbraw/zinc/06/59/90/352065990.db2.gz IJIHXNGGDJRYNM-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000638205555 352067376 /nfs/dbraw/zinc/06/73/76/352067376.db2.gz ICBXLFZGVMBGQM-GHMZBOCLSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000638209740 352072336 /nfs/dbraw/zinc/07/23/36/352072336.db2.gz FLJUBMATIJXXNH-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH3+])CC[N@H+]1C ZINC000638153097 352017493 /nfs/dbraw/zinc/01/74/93/352017493.db2.gz BYNVNYBASCGQNA-OUAUKWLOSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000638155676 352018164 /nfs/dbraw/zinc/01/81/64/352018164.db2.gz FTRFESADJYTGIS-GXSJLCMTSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638168606 352036207 /nfs/dbraw/zinc/03/62/07/352036207.db2.gz NANGZJGFZZFUFP-CYBMUJFWSA-N 2 1 248.330 0.404 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638211997 352074259 /nfs/dbraw/zinc/07/42/59/352074259.db2.gz XJRYRNOSBPSNMA-KOLCDFICSA-N 2 1 236.319 0.448 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000083972590 352121792 /nfs/dbraw/zinc/12/17/92/352121792.db2.gz OYNPGUHVHCTLHY-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000083972590 352121794 /nfs/dbraw/zinc/12/17/94/352121794.db2.gz OYNPGUHVHCTLHY-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638285027 352122100 /nfs/dbraw/zinc/12/21/00/352122100.db2.gz FCQCXFAUAWRFCG-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000083972592 352122144 /nfs/dbraw/zinc/12/21/44/352122144.db2.gz OYNPGUHVHCTLHY-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000083972592 352122147 /nfs/dbraw/zinc/12/21/47/352122147.db2.gz OYNPGUHVHCTLHY-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000638285022 352122204 /nfs/dbraw/zinc/12/22/04/352122204.db2.gz FCQCXFAUAWRFCG-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638286876 352122575 /nfs/dbraw/zinc/12/25/75/352122575.db2.gz RULUXXFDWGXKPQ-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638218606 352078068 /nfs/dbraw/zinc/07/80/68/352078068.db2.gz DNATUPFCPOTUHP-DGCLKSJQSA-N 2 1 239.363 0.526 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638218607 352078485 /nfs/dbraw/zinc/07/84/85/352078485.db2.gz DNATUPFCPOTUHP-WCQYABFASA-N 2 1 239.363 0.526 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638233952 352085861 /nfs/dbraw/zinc/08/58/61/352085861.db2.gz HXSIIKUQOQJDEE-WPRPVWTQSA-N 2 1 222.292 0.140 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246841 352093289 /nfs/dbraw/zinc/09/32/89/352093289.db2.gz FTZFGQYZXLIXNL-VWYCJHECSA-N 2 1 243.326 0.144 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638252134 352095826 /nfs/dbraw/zinc/09/58/26/352095826.db2.gz PPMLUKUKZOQKGL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH3+])CC[N@H+]1C ZINC000638252758 352095976 /nfs/dbraw/zinc/09/59/76/352095976.db2.gz VXNSLNSVCBTZRS-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+](C)C ZINC000638253331 352096282 /nfs/dbraw/zinc/09/62/82/352096282.db2.gz LJONYXLZOZORDP-MWLCHTKSSA-N 2 1 231.315 0.097 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638253578 352096582 /nfs/dbraw/zinc/09/65/82/352096582.db2.gz BMEVHWXHTKNSMX-HTQZYQBOSA-N 2 1 210.281 0.043 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638254864 352098127 /nfs/dbraw/zinc/09/81/27/352098127.db2.gz IZLVKFGUONKNCE-UWVGGRQHSA-N 2 1 229.368 0.816 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH3+])C1 ZINC000638256638 352099928 /nfs/dbraw/zinc/09/99/28/352099928.db2.gz WOIOTIVFZXJQDG-ILDUYXDCSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638259759 352103112 /nfs/dbraw/zinc/10/31/12/352103112.db2.gz SOEHFDSMMZNANM-RKDXNWHRSA-N 2 1 249.305 0.427 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH3+])C1 ZINC000638256240 352103591 /nfs/dbraw/zinc/10/35/91/352103591.db2.gz RUJLZHBOZHVRAD-UHFFFAOYSA-N 2 1 222.292 0.140 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638267442 352106733 /nfs/dbraw/zinc/10/67/33/352106733.db2.gz RLXLVBLVFONCRP-SNVBAGLBSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638332605 352150824 /nfs/dbraw/zinc/15/08/24/352150824.db2.gz IVCXWTAZXPNNEJ-SNVBAGLBSA-N 2 1 238.335 0.681 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638370974 352184420 /nfs/dbraw/zinc/18/44/20/352184420.db2.gz OEHBMCBNBWVNBC-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH3+])CC1 ZINC000638385080 352195084 /nfs/dbraw/zinc/19/50/84/352195084.db2.gz ISODNCQEJPAMNK-UHFFFAOYSA-N 2 1 236.319 0.437 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH2+]CC)C1 ZINC000638427588 352235711 /nfs/dbraw/zinc/23/57/11/352235711.db2.gz VGSDCFWXAFUCED-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638433169 352242365 /nfs/dbraw/zinc/24/23/65/352242365.db2.gz QYPUZAGVHQROBH-UWVGGRQHSA-N 2 1 213.325 0.052 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638395904 352203753 /nfs/dbraw/zinc/20/37/53/352203753.db2.gz FVSOOULHGAGDED-GXSJLCMTSA-N 2 1 236.319 0.530 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000638401466 352206807 /nfs/dbraw/zinc/20/68/07/352206807.db2.gz BJQIAOIGUQCJLY-UHFFFAOYSA-N 2 1 224.308 0.387 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638402311 352208416 /nfs/dbraw/zinc/20/84/16/352208416.db2.gz MHJMWLNSRZATOS-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000638432751 352241443 /nfs/dbraw/zinc/24/14/43/352241443.db2.gz MADCWVSCEMUXMT-JTQLQIEISA-N 2 1 238.335 0.731 20 0 BCADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440786 352246888 /nfs/dbraw/zinc/24/68/88/352246888.db2.gz QSFKIVQTXGMNAD-ZDUSSCGKSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505300 352326765 /nfs/dbraw/zinc/32/67/65/352326765.db2.gz KQGYCCRISMJREY-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638570801 352398132 /nfs/dbraw/zinc/39/81/32/352398132.db2.gz ABWBEZNCTHWZMY-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638574510 352404948 /nfs/dbraw/zinc/40/49/48/352404948.db2.gz UZTNFZFTDSREJO-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[N@H+]1C ZINC000638650801 352492723 /nfs/dbraw/zinc/49/27/23/352492723.db2.gz MTLQENQJZNUQAP-IRCOFANPSA-N 2 1 239.363 0.583 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638639702 352481720 /nfs/dbraw/zinc/48/17/20/352481720.db2.gz MTSPKMHUPPQDGE-GXSJLCMTSA-N 2 1 236.319 0.448 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638730348 352593470 /nfs/dbraw/zinc/59/34/70/352593470.db2.gz VOXBXTADWROICB-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503520 352597786 /nfs/dbraw/zinc/59/77/86/352597786.db2.gz JGHQCVJSGDIWEX-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)C[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040923993 352600039 /nfs/dbraw/zinc/60/00/39/352600039.db2.gz QXIJBUJMGUZSCP-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000041680045 352616226 /nfs/dbraw/zinc/61/62/26/352616226.db2.gz KXYFFELNJXYNGR-ZJUUUORDSA-N 2 1 245.392 0.495 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531429 352654758 /nfs/dbraw/zinc/65/47/58/352654758.db2.gz KDUOHLRORJAKJP-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531429 352654762 /nfs/dbraw/zinc/65/47/62/352654762.db2.gz KDUOHLRORJAKJP-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911364 191229263 /nfs/dbraw/zinc/22/92/63/191229263.db2.gz NRIMYKZYZIHRCU-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911364 191229265 /nfs/dbraw/zinc/22/92/65/191229265.db2.gz NRIMYKZYZIHRCU-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000334217667 352818896 /nfs/dbraw/zinc/81/88/96/352818896.db2.gz HOYSAWIEFFBIKZ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000334217667 352818898 /nfs/dbraw/zinc/81/88/98/352818898.db2.gz HOYSAWIEFFBIKZ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CN1CCN(C(=O)C[N@H+]2CCC23CCC3)CC1 ZINC000334270082 352906223 /nfs/dbraw/zinc/90/62/23/352906223.db2.gz DXZARXNJNJSNAW-UHFFFAOYSA-N 2 1 237.347 0.389 20 0 BCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[NH+](C)C ZINC000334314687 352945375 /nfs/dbraw/zinc/94/53/75/352945375.db2.gz MMRWZDBDBCCKTM-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000334314284 352945500 /nfs/dbraw/zinc/94/55/00/352945500.db2.gz MBZHWEBJRRZMTF-VXGBXAGGSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000334314284 352945502 /nfs/dbraw/zinc/94/55/02/352945502.db2.gz MBZHWEBJRRZMTF-VXGBXAGGSA-N 2 1 241.379 0.735 20 0 BCADMP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000638818920 352999618 /nfs/dbraw/zinc/99/96/18/352999618.db2.gz FWOLKIBAYGIZRV-NXEZZACHSA-N 2 1 243.376 0.379 20 0 BCADMP C[NH2+]CCOCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629531111 538107762 /nfs/dbraw/zinc/10/77/62/538107762.db2.gz AHROXTANXWBQAH-FOSCPWQOSA-N 2 1 227.352 0.095 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927183 353087500 /nfs/dbraw/zinc/08/75/00/353087500.db2.gz ULUAMXZPOICJKR-PHIMTYICSA-N 2 1 234.303 0.154 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000638931533 353093137 /nfs/dbraw/zinc/09/31/37/353093137.db2.gz PXUXJPWQRKKRSE-NOOOWODRSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000638933907 353096776 /nfs/dbraw/zinc/09/67/76/353096776.db2.gz DAOIVDIDEZSJAU-WRWGMCAJSA-N 2 1 239.363 0.807 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@H+]1C ZINC000638929104 353098982 /nfs/dbraw/zinc/09/89/82/353098982.db2.gz NQPYCKCNBDYROQ-ZRUFSTJUSA-N 2 1 225.336 0.275 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000356806191 188066138 /nfs/dbraw/zinc/06/61/38/188066138.db2.gz MNKUVUROOVUGTD-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000356806191 188066140 /nfs/dbraw/zinc/06/61/40/188066140.db2.gz MNKUVUROOVUGTD-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000356806191 188066141 /nfs/dbraw/zinc/06/61/41/188066141.db2.gz MNKUVUROOVUGTD-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040924908 188117875 /nfs/dbraw/zinc/11/78/75/188117875.db2.gz YQRJJVJXAYZDDE-JTQLQIEISA-N 2 1 227.352 0.570 20 0 BCADMP CC(=O)N1CC[N@@H+](CCn2ccnc2)[C@@H](C)C1 ZINC000270829591 188198479 /nfs/dbraw/zinc/19/84/79/188198479.db2.gz CPXQHIUTTGMRBY-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343254425 353251694 /nfs/dbraw/zinc/25/16/94/353251694.db2.gz XNFKWQWHYUZSIN-WUHRBBMRSA-N 2 1 242.363 0.504 20 0 BCADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000054243274 188177186 /nfs/dbraw/zinc/17/71/86/188177186.db2.gz IFNAGMIQDBFSSC-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000054243274 188177188 /nfs/dbraw/zinc/17/71/88/188177188.db2.gz IFNAGMIQDBFSSC-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000639018405 353274175 /nfs/dbraw/zinc/27/41/75/353274175.db2.gz IGEZGAXVSVEHLH-NWDGAFQWSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000165282390 353279211 /nfs/dbraw/zinc/27/92/11/353279211.db2.gz VIHKGSMHYNZIMX-HBNTYKKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618501 188232004 /nfs/dbraw/zinc/23/20/04/188232004.db2.gz AUELBWBVOXBHMD-NEPJUHHUSA-N 2 1 239.363 0.395 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251729851 353287942 /nfs/dbraw/zinc/28/79/42/353287942.db2.gz KHHJQBVMLQHXFZ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[NH3+] ZINC000251786765 353288133 /nfs/dbraw/zinc/28/81/33/353288133.db2.gz NFMISMLWBUSGDI-ZJUUUORDSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251897011 353293835 /nfs/dbraw/zinc/29/38/35/353293835.db2.gz WBRDFRRXMYBHRU-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846180 353312253 /nfs/dbraw/zinc/31/22/53/353312253.db2.gz FKYTXVFCGSVHOO-NAKRPEOUSA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846180 353312256 /nfs/dbraw/zinc/31/22/56/353312256.db2.gz FKYTXVFCGSVHOO-NAKRPEOUSA-N 2 1 226.320 0.607 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000252151387 353296972 /nfs/dbraw/zinc/29/69/72/353296972.db2.gz OQVMXYUGNLLGJF-VWYCJHECSA-N 2 1 225.336 0.195 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000252373583 353299909 /nfs/dbraw/zinc/29/99/09/353299909.db2.gz SZHOSNJOPBWCLC-SDDRHHMPSA-N 2 1 237.347 0.481 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252864634 353312860 /nfs/dbraw/zinc/31/28/60/353312860.db2.gz PIFDNISZUWOLLE-XWLWVQCSSA-N 2 1 225.336 0.310 20 0 BCADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639049037 353340115 /nfs/dbraw/zinc/34/01/15/353340115.db2.gz GWPQXHPDOJNHJN-VXGBXAGGSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639049037 353340119 /nfs/dbraw/zinc/34/01/19/353340119.db2.gz GWPQXHPDOJNHJN-VXGBXAGGSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049400 353343237 /nfs/dbraw/zinc/34/32/37/353343237.db2.gz QDVYKBZMAJNVSE-GFCCVEGCSA-N 2 1 244.404 0.786 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049400 353343239 /nfs/dbraw/zinc/34/32/39/353343239.db2.gz QDVYKBZMAJNVSE-GFCCVEGCSA-N 2 1 244.404 0.786 20 0 BCADMP c1cn(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283194 538116169 /nfs/dbraw/zinc/11/61/69/538116169.db2.gz PHXKUNMSBKKKAA-PHIMTYICSA-N 2 1 206.293 0.034 20 0 BCADMP OC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000085283264 538116246 /nfs/dbraw/zinc/11/62/46/538116246.db2.gz MTTRUJGSUFTGNJ-PHIMTYICSA-N 2 1 210.321 0.443 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC(=O)C2)CC[N@@H+]1C ZINC000252215683 363221026 /nfs/dbraw/zinc/22/10/26/363221026.db2.gz ZDHVRBUWNMELKU-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC(=O)C2)CC[N@H+]1C ZINC000252215683 363221031 /nfs/dbraw/zinc/22/10/31/363221031.db2.gz ZDHVRBUWNMELKU-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](CO)[N@@H+](C)CCCc1cncn1C ZINC000314614391 353476490 /nfs/dbraw/zinc/47/64/90/353476490.db2.gz RAKMZSFAUXHEMJ-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP C[C@H](CO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314614391 353476492 /nfs/dbraw/zinc/47/64/92/353476492.db2.gz RAKMZSFAUXHEMJ-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP C[C@H](CO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314614391 353476495 /nfs/dbraw/zinc/47/64/95/353476495.db2.gz RAKMZSFAUXHEMJ-SNVBAGLBSA-N 2 1 211.309 0.665 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000192122182 353544039 /nfs/dbraw/zinc/54/40/39/353544039.db2.gz PVVVFTPTJWVCBN-TUAOUCFPSA-N 2 1 241.379 0.770 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192121875 353544354 /nfs/dbraw/zinc/54/43/54/353544354.db2.gz RFFKIWUPCLCCGI-GHMZBOCLSA-N 2 1 229.368 0.818 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193640669 353597064 /nfs/dbraw/zinc/59/70/64/353597064.db2.gz CVDXLALQVIQIDS-GHMZBOCLSA-N 2 1 227.352 0.583 20 0 BCADMP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000232289167 353705885 /nfs/dbraw/zinc/70/58/85/353705885.db2.gz CZIJPQKMXOHNMH-IJLUTSLNSA-N 2 1 237.347 0.196 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)COC ZINC000225714551 324199234 /nfs/dbraw/zinc/19/92/34/324199234.db2.gz YCMXTVZZSVNLKT-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)COC ZINC000225714551 324199240 /nfs/dbraw/zinc/19/92/40/324199240.db2.gz YCMXTVZZSVNLKT-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H](C)CC[NH+](C)C)C1CC1 ZINC000343440442 353887588 /nfs/dbraw/zinc/88/75/88/353887588.db2.gz FFOYFVNOUQDGKT-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCF)CC1 ZINC000639133189 353842511 /nfs/dbraw/zinc/84/25/11/353842511.db2.gz IUTDLDKWXOCKCJ-UHFFFAOYSA-N 2 1 218.316 0.781 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627106046 363265416 /nfs/dbraw/zinc/26/54/16/363265416.db2.gz FWCFRZOSSFQZJS-VWYCJHECSA-N 2 1 242.367 0.506 20 0 BCADMP CC[N@@H+](CC(=O)NCc1cnc[nH]1)C1CC1 ZINC000343733295 353989051 /nfs/dbraw/zinc/98/90/51/353989051.db2.gz NDJUPVHURIXAAE-UHFFFAOYSA-N 2 1 222.292 0.510 20 0 BCADMP CCN(CC(=O)NCc1c[nH]cn1)C1CC1 ZINC000343733295 353989055 /nfs/dbraw/zinc/98/90/55/353989055.db2.gz NDJUPVHURIXAAE-UHFFFAOYSA-N 2 1 222.292 0.510 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577955179 366138374 /nfs/dbraw/zinc/13/83/74/366138374.db2.gz GOZKYMIREOTTEF-BREBYQMCSA-N 2 1 235.331 0.091 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627116629 363283696 /nfs/dbraw/zinc/28/36/96/363283696.db2.gz KNPWWHVVBOWQIH-GHMZBOCLSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334554687 353998506 /nfs/dbraw/zinc/99/85/06/353998506.db2.gz MJBFVSLFYGWPEL-ZDUSSCGKSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334554687 353998508 /nfs/dbraw/zinc/99/85/08/353998508.db2.gz MJBFVSLFYGWPEL-ZDUSSCGKSA-N 2 1 224.348 0.975 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449727466 202009368 /nfs/dbraw/zinc/00/93/68/202009368.db2.gz PZDGABNLPMJJPH-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449727464 202009492 /nfs/dbraw/zinc/00/94/92/202009492.db2.gz PZDGABNLPMJJPH-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627134545 363348360 /nfs/dbraw/zinc/34/83/60/363348360.db2.gz BNROKOCNDSKNER-LLVKDONJSA-N 2 1 240.351 0.213 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588777 354216145 /nfs/dbraw/zinc/21/61/45/354216145.db2.gz XKCRJJJICXLCLX-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588777 354216149 /nfs/dbraw/zinc/21/61/49/354216149.db2.gz XKCRJJJICXLCLX-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000334606722 354313584 /nfs/dbraw/zinc/31/35/84/354313584.db2.gz ODFKKBRKHZNIKC-UWVGGRQHSA-N 2 1 243.376 0.236 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CCNCC2(F)F)CC1 ZINC000334615706 354302318 /nfs/dbraw/zinc/30/23/18/354302318.db2.gz MSMHIJXEFHQMPG-JTQLQIEISA-N 2 1 247.333 0.915 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000334615728 354302366 /nfs/dbraw/zinc/30/23/66/354302366.db2.gz NHBASMXIKIDJGK-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000334615728 354302368 /nfs/dbraw/zinc/30/23/68/354302368.db2.gz NHBASMXIKIDJGK-QWHCGFSZSA-N 2 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000334615728 354302369 /nfs/dbraw/zinc/30/23/69/354302369.db2.gz NHBASMXIKIDJGK-QWHCGFSZSA-N 2 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000334615728 354302372 /nfs/dbraw/zinc/30/23/72/354302372.db2.gz NHBASMXIKIDJGK-QWHCGFSZSA-N 2 1 223.364 0.670 20 0 BCADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C1CCOCC1 ZINC000334616593 354303998 /nfs/dbraw/zinc/30/39/98/354303998.db2.gz SPJQFQYBVOSVFH-VIFPVBQESA-N 2 1 234.290 1.000 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167528171 134003511 /nfs/dbraw/zinc/00/35/11/134003511.db2.gz WXKSXUQFOIJKDD-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000165943811 354358383 /nfs/dbraw/zinc/35/83/83/354358383.db2.gz MLEGKSPFFVTAAA-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000578013526 366179557 /nfs/dbraw/zinc/17/95/57/366179557.db2.gz RJWSQKWNLQNJHU-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000622009937 370662176 /nfs/dbraw/zinc/66/21/76/370662176.db2.gz OZUDYQXDLYHQKT-MCIGGMRASA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000383636697 354605226 /nfs/dbraw/zinc/60/52/26/354605226.db2.gz YJTCOCCZPDYJLH-JHJVBQTASA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000383636697 354605228 /nfs/dbraw/zinc/60/52/28/354605228.db2.gz YJTCOCCZPDYJLH-JHJVBQTASA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NCC[NH+](C)C)CCC[N@H+]1C ZINC000345732456 354746785 /nfs/dbraw/zinc/74/67/85/354746785.db2.gz AYUVPQWPJZYDKX-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639217196 354867395 /nfs/dbraw/zinc/86/73/95/354867395.db2.gz QVDQJTDIUHZZCX-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000335953735 134022302 /nfs/dbraw/zinc/02/23/02/134022302.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000335953735 134022303 /nfs/dbraw/zinc/02/23/03/134022303.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000335953735 134022304 /nfs/dbraw/zinc/02/23/04/134022304.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000335953735 134022305 /nfs/dbraw/zinc/02/23/05/134022305.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000335202476 355036919 /nfs/dbraw/zinc/03/69/19/355036919.db2.gz CDUYJOLSLDYGJI-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000335202476 355036922 /nfs/dbraw/zinc/03/69/22/355036922.db2.gz CDUYJOLSLDYGJI-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000335202476 355036924 /nfs/dbraw/zinc/03/69/24/355036924.db2.gz CDUYJOLSLDYGJI-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000335202476 355036925 /nfs/dbraw/zinc/03/69/25/355036925.db2.gz CDUYJOLSLDYGJI-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(CC)CC)CC[C@@H]1[NH3+] ZINC000147523852 491071284 /nfs/dbraw/zinc/07/12/84/491071284.db2.gz QLTUEDSJNNIRNR-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)CC[C@@H]1[NH3+] ZINC000147523852 491071285 /nfs/dbraw/zinc/07/12/85/491071285.db2.gz QLTUEDSJNNIRNR-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000335183754 355082044 /nfs/dbraw/zinc/08/20/44/355082044.db2.gz DEMPTGNABZWYFU-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000335220974 355061058 /nfs/dbraw/zinc/06/10/58/355061058.db2.gz YGOSXLROQKTOOX-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000335220974 355061060 /nfs/dbraw/zinc/06/10/60/355061060.db2.gz YGOSXLROQKTOOX-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000335220974 355061062 /nfs/dbraw/zinc/06/10/62/355061062.db2.gz YGOSXLROQKTOOX-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000346825132 355126564 /nfs/dbraw/zinc/12/65/64/355126564.db2.gz PMFDVGKHRBZGKR-GFCCVEGCSA-N 2 1 241.379 0.520 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000346825132 355126566 /nfs/dbraw/zinc/12/65/66/355126566.db2.gz PMFDVGKHRBZGKR-GFCCVEGCSA-N 2 1 241.379 0.520 20 0 BCADMP CCCNC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346842110 355134129 /nfs/dbraw/zinc/13/41/29/355134129.db2.gz WOLZRWHVENZTKW-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP COCC[N@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346845269 355135355 /nfs/dbraw/zinc/13/53/55/355135355.db2.gz MOKDNVQRMGKIMJ-LLVKDONJSA-N 2 1 229.368 0.376 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000347003358 355200795 /nfs/dbraw/zinc/20/07/95/355200795.db2.gz LATCXWMXUAJDAL-UHFFFAOYSA-N 2 1 242.367 0.189 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347004455 355201809 /nfs/dbraw/zinc/20/18/09/355201809.db2.gz OAZDUIACOKIFPE-LBPRGKRZSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347004455 355201811 /nfs/dbraw/zinc/20/18/11/355201811.db2.gz OAZDUIACOKIFPE-LBPRGKRZSA-N 2 1 241.379 0.690 20 0 BCADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000347008728 355202897 /nfs/dbraw/zinc/20/28/97/355202897.db2.gz SAXZWSLMMMLZBT-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000113514131 355250267 /nfs/dbraw/zinc/25/02/67/355250267.db2.gz KMTINPNXFDIXKJ-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000113514131 355250268 /nfs/dbraw/zinc/25/02/68/355250268.db2.gz KMTINPNXFDIXKJ-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC[N@H+]1C ZINC000639245673 355255156 /nfs/dbraw/zinc/25/51/56/355255156.db2.gz ZTHQQCKPLMKAFU-MDZLAQPJSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCOCC[NH+](C)C ZINC000349726505 355420133 /nfs/dbraw/zinc/42/01/33/355420133.db2.gz AOPFREVSNADDJE-UHFFFAOYSA-N 2 1 245.367 0.021 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH3+])C[C@@H]1C ZINC000335840526 355583771 /nfs/dbraw/zinc/58/37/71/355583771.db2.gz NOUYRNHHXIAQIU-UWVGGRQHSA-N 2 1 213.325 0.276 20 0 BCADMP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000335852306 355596388 /nfs/dbraw/zinc/59/63/88/355596388.db2.gz VCJWZWHCAFHDPZ-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000417886840 355631989 /nfs/dbraw/zinc/63/19/89/355631989.db2.gz ZGUDSWHAQZDEOW-YWVKMMECSA-N 2 1 240.351 0.116 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000166588124 355710197 /nfs/dbraw/zinc/71/01/97/355710197.db2.gz LZQSEMVQSGOUCS-UHFFFAOYSA-N 2 1 227.352 0.670 20 0 BCADMP CC(C)NC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335890457 355683393 /nfs/dbraw/zinc/68/33/93/355683393.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000639329213 355742320 /nfs/dbraw/zinc/74/23/20/355742320.db2.gz VSYMSKNIDSWPMF-OUAUKWLOSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000639329213 355742321 /nfs/dbraw/zinc/74/23/21/355742321.db2.gz VSYMSKNIDSWPMF-OUAUKWLOSA-N 2 1 212.337 0.972 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000417449379 191845161 /nfs/dbraw/zinc/84/51/61/191845161.db2.gz XTLQNPATOMPZLK-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP Cc1[nH+]cc(CN(C)[C@@]2(CO)CCOC2)n1C ZINC000628368043 355862582 /nfs/dbraw/zinc/86/25/82/355862582.db2.gz JEHBREINUIGEAW-GFCCVEGCSA-N 2 1 239.319 0.312 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000520421913 355920460 /nfs/dbraw/zinc/92/04/60/355920460.db2.gz OLZJNMCJSYPWPM-BDAKNGLRSA-N 2 1 249.305 0.604 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000389249301 355936240 /nfs/dbraw/zinc/93/62/40/355936240.db2.gz BWHBJEDPUXKZEM-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP C[N@H+]1CC[C@H]([NH+](CCO)CCO)CC1(C)C ZINC000628370599 355883218 /nfs/dbraw/zinc/88/32/18/355883218.db2.gz MQRVWEIAYHBHGJ-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417607868 191905596 /nfs/dbraw/zinc/90/55/96/191905596.db2.gz HNAMKRFZTHGRQN-JTQLQIEISA-N 2 1 230.356 0.365 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167197981 355968876 /nfs/dbraw/zinc/96/88/76/355968876.db2.gz PTMDGJNBUHZJNS-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551742 356107991 /nfs/dbraw/zinc/10/79/91/356107991.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000617551742 356107996 /nfs/dbraw/zinc/10/79/96/356107996.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000617551742 356107997 /nfs/dbraw/zinc/10/79/97/356107997.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000617553724 356110865 /nfs/dbraw/zinc/11/08/65/356110865.db2.gz OVURQJOWIWPDPV-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP Cc1cnc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000351860169 356098610 /nfs/dbraw/zinc/09/86/10/356098610.db2.gz HRNFBAJHOUNGSY-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000351860169 356098612 /nfs/dbraw/zinc/09/86/12/356098612.db2.gz HRNFBAJHOUNGSY-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864947 356101038 /nfs/dbraw/zinc/10/10/38/356101038.db2.gz ZYPVSAMYOADBNI-QJPTWQEYSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000351866164 356101693 /nfs/dbraw/zinc/10/16/93/356101693.db2.gz QOWBMUDEQIXYAV-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000351866164 356101697 /nfs/dbraw/zinc/10/16/97/356101697.db2.gz QOWBMUDEQIXYAV-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000335918415 356164123 /nfs/dbraw/zinc/16/41/23/356164123.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000335918415 356164125 /nfs/dbraw/zinc/16/41/25/356164125.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000335918415 356164127 /nfs/dbraw/zinc/16/41/27/356164127.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 2 1 248.374 0.990 20 0 BCADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000418319809 192023877 /nfs/dbraw/zinc/02/38/77/192023877.db2.gz RXTYUCNEZSTECW-LLVKDONJSA-N 2 1 242.367 0.187 20 0 BCADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000418319810 192023886 /nfs/dbraw/zinc/02/38/86/192023886.db2.gz RXTYUCNEZSTECW-NSHDSACASA-N 2 1 242.367 0.187 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319876 192195072 /nfs/dbraw/zinc/19/50/72/192195072.db2.gz ASFDWZPPZMKQSD-STQMWFEESA-N 3 1 241.379 0.283 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617751761 356310894 /nfs/dbraw/zinc/31/08/94/356310894.db2.gz CGUYRWAGFRYXND-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000617759507 356316345 /nfs/dbraw/zinc/31/63/45/356316345.db2.gz IRFFJMZHLYGGOH-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C1CC([NH3+])C1 ZINC000420331898 192213729 /nfs/dbraw/zinc/21/37/29/192213729.db2.gz MTNKSNWTCXOKLO-UHFFFAOYSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C1CC([NH3+])C1 ZINC000420331898 192213730 /nfs/dbraw/zinc/21/37/30/192213730.db2.gz MTNKSNWTCXOKLO-UHFFFAOYSA-N 2 1 211.309 0.030 20 0 BCADMP CC(C)OC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420318201 192214111 /nfs/dbraw/zinc/21/41/11/192214111.db2.gz PVHDGZWXURWUGD-LLVKDONJSA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)OC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000420318201 192214114 /nfs/dbraw/zinc/21/41/14/192214114.db2.gz PVHDGZWXURWUGD-LLVKDONJSA-N 2 1 228.336 0.997 20 0 BCADMP COC(=O)CC1(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000420318409 192214935 /nfs/dbraw/zinc/21/49/35/192214935.db2.gz OALOFQIJEYQSDE-GHMZBOCLSA-N 2 1 240.347 0.999 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330485 192215262 /nfs/dbraw/zinc/21/52/62/192215262.db2.gz PVKLZYBLVIKFIK-SDDRHHMPSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)C[N@H+](CCOCC[NH3+])C1CCCC1 ZINC000420353686 192218343 /nfs/dbraw/zinc/21/83/43/192218343.db2.gz BVVHPYXUJNIUAD-UHFFFAOYSA-N 2 1 244.335 0.379 20 0 BCADMP COC(=O)C[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000420353686 192218345 /nfs/dbraw/zinc/21/83/45/192218345.db2.gz BVVHPYXUJNIUAD-UHFFFAOYSA-N 2 1 244.335 0.379 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134490398 181268155 /nfs/dbraw/zinc/26/81/55/181268155.db2.gz HFQBVJPQYZGVSC-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420311835 192210289 /nfs/dbraw/zinc/21/02/89/192210289.db2.gz IBDDTGRHPXMRQY-GFCCVEGCSA-N 2 1 228.336 0.999 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCn1cccn1 ZINC000420313435 192212696 /nfs/dbraw/zinc/21/26/96/192212696.db2.gz JBNZTGBCKKBVGL-LBPRGKRZSA-N 2 1 222.336 0.815 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+][C@@H](C)[C@H]2C)CCO1 ZINC000420315508 192212987 /nfs/dbraw/zinc/21/29/87/192212987.db2.gz RSOZSQAQUGFIBT-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+][C@@H](C)[C@H]2C)CCO1 ZINC000420315508 192212990 /nfs/dbraw/zinc/21/29/90/192212990.db2.gz RSOZSQAQUGFIBT-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP COC(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367616 192225849 /nfs/dbraw/zinc/22/58/49/192225849.db2.gz MXCSGUPECILSOI-JFGNBEQYSA-N 2 1 228.336 0.916 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367579 192226002 /nfs/dbraw/zinc/22/60/02/192226002.db2.gz HBYVDNZZBWSKJT-LBPRGKRZSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000420366830 192226050 /nfs/dbraw/zinc/22/60/50/192226050.db2.gz MOMCXQAPAJMINH-WYUUTHIRSA-N 2 1 212.337 0.999 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420323483 192227612 /nfs/dbraw/zinc/22/76/12/192227612.db2.gz YCQAIGCKQZFFID-NEPJUHHUSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420323483 192227614 /nfs/dbraw/zinc/22/76/14/192227614.db2.gz YCQAIGCKQZFFID-NEPJUHHUSA-N 2 1 240.347 0.869 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420321699 192228168 /nfs/dbraw/zinc/22/81/68/192228168.db2.gz RKLHCFYLRXMXFM-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420321695 192228517 /nfs/dbraw/zinc/22/85/17/192228517.db2.gz RKLHCFYLRXMXFM-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325058 192228908 /nfs/dbraw/zinc/22/89/08/192228908.db2.gz HXUVZGAEEHEZBF-NWDGAFQWSA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325062 192229532 /nfs/dbraw/zinc/22/95/32/192229532.db2.gz HXUVZGAEEHEZBF-VXGBXAGGSA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325060 192229617 /nfs/dbraw/zinc/22/96/17/192229617.db2.gz HXUVZGAEEHEZBF-RYUDHWBXSA-N 2 1 240.347 0.871 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329521 192230533 /nfs/dbraw/zinc/23/05/33/192230533.db2.gz OMOGCSYQJDKUAY-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420327570 192230558 /nfs/dbraw/zinc/23/05/58/192230558.db2.gz DFEQHLRPSVIJOE-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420327570 192230559 /nfs/dbraw/zinc/23/05/59/192230559.db2.gz DFEQHLRPSVIJOE-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP COCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420361185 192223054 /nfs/dbraw/zinc/22/30/54/192223054.db2.gz MWCFCOBTIXSTLJ-LLVKDONJSA-N 2 1 244.335 0.107 20 0 BCADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420361185 192223057 /nfs/dbraw/zinc/22/30/57/192223057.db2.gz MWCFCOBTIXSTLJ-LLVKDONJSA-N 2 1 244.335 0.107 20 0 BCADMP COCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420365670 192224161 /nfs/dbraw/zinc/22/41/61/192224161.db2.gz LKIHDHNCILUKQU-GMTAPVOTSA-N 2 1 200.326 0.999 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420362916 192224387 /nfs/dbraw/zinc/22/43/87/192224387.db2.gz ZUYADNKUWRLVEL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420362916 192224388 /nfs/dbraw/zinc/22/43/88/192224388.db2.gz ZUYADNKUWRLVEL-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383765 192234660 /nfs/dbraw/zinc/23/46/60/192234660.db2.gz DORCQKKLMVAVFM-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383765 192234662 /nfs/dbraw/zinc/23/46/62/192234662.db2.gz DORCQKKLMVAVFM-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420393669 192236512 /nfs/dbraw/zinc/23/65/12/192236512.db2.gz YLZIUTPSGAYIHV-LBPRGKRZSA-N 2 1 213.369 0.917 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000420396844 192237443 /nfs/dbraw/zinc/23/74/43/192237443.db2.gz WIVNQVXCTFNIDX-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCN1CCO[C@H](C)C1 ZINC000420396844 192237446 /nfs/dbraw/zinc/23/74/46/192237446.db2.gz WIVNQVXCTFNIDX-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCCN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000420396844 192237447 /nfs/dbraw/zinc/23/74/47/192237447.db2.gz WIVNQVXCTFNIDX-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP C[NH2+]CCCN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000420396844 192237450 /nfs/dbraw/zinc/23/74/50/192237450.db2.gz WIVNQVXCTFNIDX-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374882 192231779 /nfs/dbraw/zinc/23/17/79/192231779.db2.gz OCGUMXOCLZWUFM-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC000420374882 192231782 /nfs/dbraw/zinc/23/17/82/192231782.db2.gz OCGUMXOCLZWUFM-IJLUTSLNSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC000420374882 192231784 /nfs/dbraw/zinc/23/17/84/192231784.db2.gz OCGUMXOCLZWUFM-IJLUTSLNSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374882 192231786 /nfs/dbraw/zinc/23/17/86/192231786.db2.gz OCGUMXOCLZWUFM-IJLUTSLNSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N(C)C ZINC000420375178 192231801 /nfs/dbraw/zinc/23/18/01/192231801.db2.gz SUFLJFVTGDDRDM-FOGDFJRCSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000420375438 192231932 /nfs/dbraw/zinc/23/19/32/192231932.db2.gz PIUMXZQYWTYBOC-GHMZBOCLSA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000420375438 192231935 /nfs/dbraw/zinc/23/19/35/192231935.db2.gz PIUMXZQYWTYBOC-GHMZBOCLSA-N 2 1 228.336 0.727 20 0 BCADMP COC[C@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420376355 192232119 /nfs/dbraw/zinc/23/21/19/192232119.db2.gz QNWJPQHRTZNDKK-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000420375440 192232159 /nfs/dbraw/zinc/23/21/59/192232159.db2.gz PIUMXZQYWTYBOC-MNOVXSKESA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000420375440 192232161 /nfs/dbraw/zinc/23/21/61/192232161.db2.gz PIUMXZQYWTYBOC-MNOVXSKESA-N 2 1 228.336 0.727 20 0 BCADMP COC[C@@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420376354 192232234 /nfs/dbraw/zinc/23/22/34/192232234.db2.gz QNWJPQHRTZNDKK-GFCCVEGCSA-N 2 1 230.352 0.710 20 0 BCADMP CCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375124 192232465 /nfs/dbraw/zinc/23/24/65/192232465.db2.gz SPUYDLNMBUUWBZ-GMTAPVOTSA-N 2 1 200.326 0.999 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000420375445 192232487 /nfs/dbraw/zinc/23/24/87/192232487.db2.gz PIUMXZQYWTYBOC-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000420375445 192232488 /nfs/dbraw/zinc/23/24/88/192232488.db2.gz PIUMXZQYWTYBOC-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000420377373 192233755 /nfs/dbraw/zinc/23/37/55/192233755.db2.gz WFNXIQQIFKCPIY-NTZNESFSSA-N 2 1 236.363 0.939 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C[NH3+] ZINC000405589563 491095788 /nfs/dbraw/zinc/09/57/88/491095788.db2.gz MIZBONIMKZQEKH-GHMZBOCLSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000336212291 134135136 /nfs/dbraw/zinc/13/51/36/134135136.db2.gz KXXOBKCPDJSLGC-JQWIXIFHSA-N 2 1 243.326 0.289 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757419 356664006 /nfs/dbraw/zinc/66/40/06/356664006.db2.gz JBGMMRWYTHOHPL-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000088287455 356655003 /nfs/dbraw/zinc/65/50/03/356655003.db2.gz DKPQBCVOXKNAPJ-GHMZBOCLSA-N 2 1 218.304 0.749 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627226539 363555502 /nfs/dbraw/zinc/55/55/02/363555502.db2.gz NCHFJLYKVQCHFM-QWRGUYRKSA-N 2 1 240.351 0.071 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167759284 134153761 /nfs/dbraw/zinc/15/37/61/134153761.db2.gz JLRNASZCEPXMEN-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167759284 134153762 /nfs/dbraw/zinc/15/37/62/134153762.db2.gz JLRNASZCEPXMEN-VXGBXAGGSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000167768790 134153774 /nfs/dbraw/zinc/15/37/74/134153774.db2.gz YGDVMBHWLBSVPP-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000167768790 134153775 /nfs/dbraw/zinc/15/37/75/134153775.db2.gz YGDVMBHWLBSVPP-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761940 356680292 /nfs/dbraw/zinc/68/02/92/356680292.db2.gz IBGZQFRUPZSOOE-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761940 356680296 /nfs/dbraw/zinc/68/02/96/356680296.db2.gz IBGZQFRUPZSOOE-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761714 356679787 /nfs/dbraw/zinc/67/97/87/356679787.db2.gz DIXZLTBQRNAWLZ-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CCC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761714 356679790 /nfs/dbraw/zinc/67/97/90/356679790.db2.gz DIXZLTBQRNAWLZ-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]1C ZINC000578140201 366320428 /nfs/dbraw/zinc/32/04/28/366320428.db2.gz BYHRTRNWHNQTPA-UTUOFQBUSA-N 2 1 230.352 0.266 20 0 BCADMP C[C@H](O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764020 356690385 /nfs/dbraw/zinc/69/03/85/356690385.db2.gz SEDUNWUFCVMQAY-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000353456653 134163949 /nfs/dbraw/zinc/16/39/49/134163949.db2.gz DNSHDMZAMAKKMA-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767145 356696591 /nfs/dbraw/zinc/69/65/91/356696591.db2.gz PZHBZSFKYRYFNS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767145 356696592 /nfs/dbraw/zinc/69/65/92/356696592.db2.gz PZHBZSFKYRYFNS-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000353760694 356718161 /nfs/dbraw/zinc/71/81/61/356718161.db2.gz RPXHWUWQQRGLCF-NSHDSACASA-N 2 1 239.363 0.714 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623340729 356739059 /nfs/dbraw/zinc/73/90/59/356739059.db2.gz VPKFBXHRYAJSKR-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623340729 356739061 /nfs/dbraw/zinc/73/90/61/356739061.db2.gz VPKFBXHRYAJSKR-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623340732 356739975 /nfs/dbraw/zinc/73/99/75/356739975.db2.gz VPKFBXHRYAJSKR-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623340732 356739976 /nfs/dbraw/zinc/73/99/76/356739976.db2.gz VPKFBXHRYAJSKR-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193721 366377661 /nfs/dbraw/zinc/37/76/61/366377661.db2.gz KRWWQJQZISOVAA-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@@H](C)[N@H+](CCOCC[NH3+])C[C@H]1C ZINC000578193721 366377664 /nfs/dbraw/zinc/37/76/64/366377664.db2.gz KRWWQJQZISOVAA-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@@H](C)[N@@H+](CCOCC[NH3+])C[C@H]1C ZINC000578193721 366377672 /nfs/dbraw/zinc/37/76/72/366377672.db2.gz KRWWQJQZISOVAA-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848634 356847085 /nfs/dbraw/zinc/84/70/85/356847085.db2.gz HXYCFJWOMAXDMF-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848634 356847088 /nfs/dbraw/zinc/84/70/88/356847088.db2.gz HXYCFJWOMAXDMF-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387798 356919282 /nfs/dbraw/zinc/91/92/82/356919282.db2.gz WEOOTRKXDUXWLC-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](CO)C1 ZINC000639872514 357043665 /nfs/dbraw/zinc/04/36/65/357043665.db2.gz QYUQYACYROWDAX-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](CO)C1 ZINC000639872514 357043666 /nfs/dbraw/zinc/04/36/66/357043666.db2.gz QYUQYACYROWDAX-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390679052 357110743 /nfs/dbraw/zinc/11/07/43/357110743.db2.gz WREYLYKUGVLJQU-JBLDHEPKSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390679052 357110748 /nfs/dbraw/zinc/11/07/48/357110748.db2.gz WREYLYKUGVLJQU-JBLDHEPKSA-N 2 1 230.352 0.191 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC2=[NH+]CCCN2)C1 ZINC000582431320 357147411 /nfs/dbraw/zinc/14/74/11/357147411.db2.gz AAPSTPIETPOSGU-JTQLQIEISA-N 2 1 210.325 0.267 20 0 BCADMP C[C@H](NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248758 192652046 /nfs/dbraw/zinc/65/20/46/192652046.db2.gz NSOBSFVEBKUXGH-QJPTWQEYSA-N 2 1 211.353 0.716 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000583690072 357120861 /nfs/dbraw/zinc/12/08/61/357120861.db2.gz CCILBFTZRXJUSY-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCC(C)(C)O)C1CC1 ZINC000393759474 357296695 /nfs/dbraw/zinc/29/66/95/357296695.db2.gz VJNMCGUJQMXNLL-NSHDSACASA-N 2 1 230.352 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC(C)(C)O)C1CC1 ZINC000393759474 357296698 /nfs/dbraw/zinc/29/66/98/357296698.db2.gz VJNMCGUJQMXNLL-NSHDSACASA-N 2 1 230.352 0.192 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)O)C1 ZINC000393772065 357298653 /nfs/dbraw/zinc/29/86/53/357298653.db2.gz HRTGSVXWGRAGGA-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)O)C1 ZINC000393772065 357298654 /nfs/dbraw/zinc/29/86/54/357298654.db2.gz HRTGSVXWGRAGGA-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000393772065 357298655 /nfs/dbraw/zinc/29/86/55/357298655.db2.gz HRTGSVXWGRAGGA-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000393772065 357298656 /nfs/dbraw/zinc/29/86/56/357298656.db2.gz HRTGSVXWGRAGGA-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392880600 357261414 /nfs/dbraw/zinc/26/14/14/357261414.db2.gz IJMCKBAYNXXALT-NSHDSACASA-N 2 1 225.336 0.492 20 0 BCADMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1=O ZINC000582540653 357338243 /nfs/dbraw/zinc/33/82/43/357338243.db2.gz OAMQTKKRBPIREK-GCHJQGSQSA-N 2 1 237.347 0.465 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000582617386 357354109 /nfs/dbraw/zinc/35/41/09/357354109.db2.gz VGLPPFYZNIJRJG-ONGXEEELSA-N 2 1 225.336 0.289 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582673559 357360227 /nfs/dbraw/zinc/36/02/27/357360227.db2.gz QEEXHNXMEFZCMS-BDAKNGLRSA-N 2 1 247.289 0.181 20 0 BCADMP C[NH+](C)C[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408517 357405691 /nfs/dbraw/zinc/40/56/91/357405691.db2.gz YVTXJHWIHXAAGY-RYUDHWBXSA-N 2 1 243.395 0.371 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCOC1)C1CC1 ZINC000397156164 357505222 /nfs/dbraw/zinc/50/52/22/357505222.db2.gz OFWLWVAIRRMDEU-STQMWFEESA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CCOC1)C1CC1 ZINC000397156164 357505225 /nfs/dbraw/zinc/50/52/25/357505225.db2.gz OFWLWVAIRRMDEU-STQMWFEESA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC000583031063 357463064 /nfs/dbraw/zinc/46/30/64/357463064.db2.gz WTSZWYAPILIOSR-MNOVXSKESA-N 2 1 234.303 0.046 20 0 BCADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178408 357552653 /nfs/dbraw/zinc/55/26/53/357552653.db2.gz RUDVGMSMCUJOQG-NEPJUHHUSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178304 357552725 /nfs/dbraw/zinc/55/27/25/357552725.db2.gz SOUIKMMBSMRBST-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188739003 357566947 /nfs/dbraw/zinc/56/69/47/357566947.db2.gz KGBQYCMPHWLIKQ-HBNTYKKESA-N 2 1 243.326 0.287 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1=CCOCC1)C1CC1 ZINC000397682835 357621752 /nfs/dbraw/zinc/62/17/52/357621752.db2.gz UVNHWGZHBXGFHD-CYBMUJFWSA-N 2 1 240.347 0.378 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1=CCOCC1)C1CC1 ZINC000397682835 357621755 /nfs/dbraw/zinc/62/17/55/357621755.db2.gz UVNHWGZHBXGFHD-CYBMUJFWSA-N 2 1 240.347 0.378 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089426129 491113080 /nfs/dbraw/zinc/11/30/80/491113080.db2.gz XIDLQNMHUXSTNO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089426129 491113082 /nfs/dbraw/zinc/11/30/82/491113082.db2.gz XIDLQNMHUXSTNO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089426129 491113083 /nfs/dbraw/zinc/11/30/83/491113083.db2.gz XIDLQNMHUXSTNO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089426129 491113085 /nfs/dbraw/zinc/11/30/85/491113085.db2.gz XIDLQNMHUXSTNO-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000583273625 357792024 /nfs/dbraw/zinc/79/20/24/357792024.db2.gz WIMCFCXPSJPELI-CABZTGNLSA-N 2 1 225.336 0.147 20 0 BCADMP CC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000583273625 357792027 /nfs/dbraw/zinc/79/20/27/357792027.db2.gz WIMCFCXPSJPELI-CABZTGNLSA-N 2 1 225.336 0.147 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000086067253 357810098 /nfs/dbraw/zinc/81/00/98/357810098.db2.gz DJUHIWCESPSTHL-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399082187 357895969 /nfs/dbraw/zinc/89/59/69/357895969.db2.gz SJTNNHGZFJYXED-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]1 ZINC000235370271 357868357 /nfs/dbraw/zinc/86/83/57/357868357.db2.gz OUSKZRIEJJRGMW-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193308144 357874053 /nfs/dbraw/zinc/87/40/53/357874053.db2.gz YAJCGLCORGBCLG-YOGCLGLASA-N 2 1 239.363 0.680 20 0 BCADMP CCN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193308144 357874057 /nfs/dbraw/zinc/87/40/57/357874057.db2.gz YAJCGLCORGBCLG-YOGCLGLASA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399074931 357895158 /nfs/dbraw/zinc/89/51/58/357895158.db2.gz PGBXTAREBUBFHU-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398375146 357884749 /nfs/dbraw/zinc/88/47/49/357884749.db2.gz KIERQYHBNPNHBY-DGCLKSJQSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398375146 357884751 /nfs/dbraw/zinc/88/47/51/357884751.db2.gz KIERQYHBNPNHBY-DGCLKSJQSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000235689583 357928268 /nfs/dbraw/zinc/92/82/68/357928268.db2.gz IXQMZZOYVCLSAY-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133595582 325302870 /nfs/dbraw/zinc/30/28/70/325302870.db2.gz PZYCDUMWFBQZLA-NSHDSACASA-N 2 1 244.383 0.578 20 0 BCADMP C[C@@H](CNC(=O)CC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000219974445 358010547 /nfs/dbraw/zinc/01/05/47/358010547.db2.gz SIKXICSGAYJCQZ-JTQLQIEISA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000219928978 358010856 /nfs/dbraw/zinc/01/08/56/358010856.db2.gz GPOUDBXQDYUDGZ-NEPJUHHUSA-N 2 1 241.379 0.688 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133671594 325307904 /nfs/dbraw/zinc/30/79/04/325307904.db2.gz GPYVFXVZFLPVGD-UHFFFAOYSA-N 2 1 244.383 0.579 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110387 134249360 /nfs/dbraw/zinc/24/93/60/134249360.db2.gz QBTROBOTBZDKHQ-CMPLNLGQSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110653 134249702 /nfs/dbraw/zinc/24/97/02/134249702.db2.gz QBTROBOTBZDKHQ-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH3+] ZINC000168928832 134248157 /nfs/dbraw/zinc/24/81/57/134248157.db2.gz IYHHZVCEUGEVAL-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COC)CC1 ZINC000640016278 358075601 /nfs/dbraw/zinc/07/56/01/358075601.db2.gz WXQNACPHDBROGE-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000037643485 358084511 /nfs/dbraw/zinc/08/45/11/358084511.db2.gz YADWAXDIUCYABZ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640059689 358149135 /nfs/dbraw/zinc/14/91/35/358149135.db2.gz WFZSSUZUULPKHP-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640059689 358149138 /nfs/dbraw/zinc/14/91/38/358149138.db2.gz WFZSSUZUULPKHP-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640059689 358149139 /nfs/dbraw/zinc/14/91/39/358149139.db2.gz WFZSSUZUULPKHP-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640059689 358149142 /nfs/dbraw/zinc/14/91/42/358149142.db2.gz WFZSSUZUULPKHP-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640059688 358149218 /nfs/dbraw/zinc/14/92/18/358149218.db2.gz WFZSSUZUULPKHP-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640059688 358149219 /nfs/dbraw/zinc/14/92/19/358149219.db2.gz WFZSSUZUULPKHP-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640059688 358149221 /nfs/dbraw/zinc/14/92/21/358149221.db2.gz WFZSSUZUULPKHP-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640059688 358149223 /nfs/dbraw/zinc/14/92/23/358149223.db2.gz WFZSSUZUULPKHP-FRRDWIJNSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294053 358232673 /nfs/dbraw/zinc/23/26/73/358232673.db2.gz QIDNCFGJJNAGML-VHSXEESVSA-N 2 1 213.325 0.311 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624496 358244358 /nfs/dbraw/zinc/24/43/58/358244358.db2.gz OGZXGRVPMIYRHT-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082811 358333735 /nfs/dbraw/zinc/33/37/35/358333735.db2.gz FILIGPTXBGHKEA-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000229094085 358344775 /nfs/dbraw/zinc/34/47/75/358344775.db2.gz QYFUORZAGRBHPW-UHFFFAOYSA-N 2 1 225.336 0.339 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071247 358348481 /nfs/dbraw/zinc/34/84/81/358348481.db2.gz SDCNCXXKNWAFLQ-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@H](CNC(=O)CCCC[NH3+])[N@@H+](C)C1CC1 ZINC000227833482 358364587 /nfs/dbraw/zinc/36/45/87/358364587.db2.gz WAHBLHKTCXVMTN-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP COC(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529182 358389271 /nfs/dbraw/zinc/38/92/71/358389271.db2.gz PJIUSSNGGIDHTG-SNVBAGLBSA-N 2 1 214.309 0.610 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044539004 358391190 /nfs/dbraw/zinc/39/11/90/358391190.db2.gz OPSVMRKQUWZLCQ-TUAOUCFPSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000230191536 358395875 /nfs/dbraw/zinc/39/58/75/358395875.db2.gz APCDGISACBPSON-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230191423 358396325 /nfs/dbraw/zinc/39/63/25/358396325.db2.gz PWXCQXJABPDHSB-QJPTWQEYSA-N 2 1 241.379 0.831 20 0 BCADMP CO[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312655 358397576 /nfs/dbraw/zinc/39/75/76/358397576.db2.gz CYVDYUQFNDELQS-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP COC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893789 358420153 /nfs/dbraw/zinc/42/01/53/358420153.db2.gz OXFFEFGPZYJDGK-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893789 358420158 /nfs/dbraw/zinc/42/01/58/358420158.db2.gz OXFFEFGPZYJDGK-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(C)=O ZINC000125554369 358542264 /nfs/dbraw/zinc/54/22/64/358542264.db2.gz DEDALUOAGAOXES-CYBMUJFWSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC[N@H+]1C ZINC000219307104 134281578 /nfs/dbraw/zinc/28/15/78/134281578.db2.gz ABGZKIXVZNQCBF-OLZOCXBDSA-N 3 1 243.395 0.637 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCN1C ZINC000219307104 134281579 /nfs/dbraw/zinc/28/15/79/134281579.db2.gz ABGZKIXVZNQCBF-OLZOCXBDSA-N 2 1 243.395 0.637 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794809 358553687 /nfs/dbraw/zinc/55/36/87/358553687.db2.gz YNAYMAZDMGLJSQ-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000044793627 358553857 /nfs/dbraw/zinc/55/38/57/358553857.db2.gz LPNOPWKHZMBFAU-LLVKDONJSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000129940686 358602183 /nfs/dbraw/zinc/60/21/83/358602183.db2.gz UIQRIJGOWMEQOL-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131647179 358688064 /nfs/dbraw/zinc/68/80/64/358688064.db2.gz LMYACUBMOAPZPS-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000133857214 358770174 /nfs/dbraw/zinc/77/01/74/358770174.db2.gz UPZXAUQVAHOLQQ-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000133857214 358770177 /nfs/dbraw/zinc/77/01/77/358770177.db2.gz UPZXAUQVAHOLQQ-MNOVXSKESA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)CC[N@H+]1C ZINC000133879966 358771564 /nfs/dbraw/zinc/77/15/64/358771564.db2.gz NEOKTHDAJRDEDM-IJLUTSLNSA-N 2 1 228.336 0.474 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000050120199 358717209 /nfs/dbraw/zinc/71/72/09/358717209.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000050120199 358717215 /nfs/dbraw/zinc/71/72/15/358717215.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000050120199 358717218 /nfs/dbraw/zinc/71/72/18/358717218.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000050120770 358717485 /nfs/dbraw/zinc/71/74/85/358717485.db2.gz XTZOPRLKWCQCTM-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000050120770 358717487 /nfs/dbraw/zinc/71/74/87/358717487.db2.gz XTZOPRLKWCQCTM-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249225 358721927 /nfs/dbraw/zinc/72/19/27/358721927.db2.gz XITBRBMJXPWHJO-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249225 358721929 /nfs/dbraw/zinc/72/19/29/358721929.db2.gz XITBRBMJXPWHJO-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249198 358722108 /nfs/dbraw/zinc/72/21/08/358722108.db2.gz HHPYPQMXBUVBBT-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249198 358722111 /nfs/dbraw/zinc/72/21/11/358722111.db2.gz HHPYPQMXBUVBBT-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000132628558 358730791 /nfs/dbraw/zinc/73/07/91/358730791.db2.gz ADWLCCHLPAYYJC-VGMNWLOBSA-N 2 1 240.269 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000132628558 358730795 /nfs/dbraw/zinc/73/07/95/358730795.db2.gz ADWLCCHLPAYYJC-VGMNWLOBSA-N 2 1 240.269 0.839 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132931042 358740111 /nfs/dbraw/zinc/74/01/11/358740111.db2.gz BFDMCUGFKJVUTR-VWYCJHECSA-N 2 1 227.352 0.713 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132975153 358740890 /nfs/dbraw/zinc/74/08/90/358740890.db2.gz MNCNNPRXMOZKPN-SRVKXCTJSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@](C[NH3+])(NC(=O)CC(F)(F)C[NH3+])C1CC1 ZINC000578244266 366469331 /nfs/dbraw/zinc/46/93/31/366469331.db2.gz XKOCCWHKCBYVTF-VIFPVBQESA-N 2 1 235.278 0.214 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000640225828 358919085 /nfs/dbraw/zinc/91/90/85/358919085.db2.gz SEJIBRGVXXPONE-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000640225828 358919088 /nfs/dbraw/zinc/91/90/88/358919088.db2.gz SEJIBRGVXXPONE-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000640225828 358919090 /nfs/dbraw/zinc/91/90/90/358919090.db2.gz SEJIBRGVXXPONE-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000640225828 358919094 /nfs/dbraw/zinc/91/90/94/358919094.db2.gz SEJIBRGVXXPONE-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000137530623 358896806 /nfs/dbraw/zinc/89/68/06/358896806.db2.gz LSQNRMOGSYGVAP-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000177815398 134300284 /nfs/dbraw/zinc/30/02/84/134300284.db2.gz KKSIMHZKFNGHNF-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000177815398 134300285 /nfs/dbraw/zinc/30/02/85/134300285.db2.gz KKSIMHZKFNGHNF-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)C1 ZINC000075125972 359138255 /nfs/dbraw/zinc/13/82/55/359138255.db2.gz GBQKNQWECNRCGK-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)C1 ZINC000075125972 359138260 /nfs/dbraw/zinc/13/82/60/359138260.db2.gz GBQKNQWECNRCGK-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246522746 359143512 /nfs/dbraw/zinc/14/35/12/359143512.db2.gz IWKRNLBKSBHNAT-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860294 359230624 /nfs/dbraw/zinc/23/06/24/359230624.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860294 359230627 /nfs/dbraw/zinc/23/06/27/359230627.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CNC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860294 359230631 /nfs/dbraw/zinc/23/06/31/359230631.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161583 359198371 /nfs/dbraw/zinc/19/83/71/359198371.db2.gz XUDWYTXXJQBJFB-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CC1 ZINC000611802574 359451226 /nfs/dbraw/zinc/45/12/26/359451226.db2.gz LCIJLBZKPPWYNB-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000379609507 359566735 /nfs/dbraw/zinc/56/67/35/359566735.db2.gz SHFKVNCYYWLTOG-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000379609507 359566739 /nfs/dbraw/zinc/56/67/39/359566739.db2.gz SHFKVNCYYWLTOG-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886544 359585926 /nfs/dbraw/zinc/58/59/26/359585926.db2.gz SDCNCXXKNWAFLQ-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380171528 359733852 /nfs/dbraw/zinc/73/38/52/359733852.db2.gz WZJZOBHNSQOPJO-TXEJJXNPSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868058 366661348 /nfs/dbraw/zinc/66/13/48/366661348.db2.gz OBDSILKYCFJVMO-UPJWGTAASA-N 2 1 241.379 0.376 20 0 BCADMP C([NH2+]C1CCOCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000090714968 360085149 /nfs/dbraw/zinc/08/51/49/360085149.db2.gz BMAVSVPZKIFZSH-CHWSQXEVSA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+]C1CCOCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000090714968 360085153 /nfs/dbraw/zinc/08/51/53/360085153.db2.gz BMAVSVPZKIFZSH-CHWSQXEVSA-N 2 1 240.347 0.618 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)CC1(C)C ZINC000623472945 360197632 /nfs/dbraw/zinc/19/76/32/360197632.db2.gz CGGIZKBNQPCTOX-AAEUAGOBSA-N 2 1 242.363 0.600 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000626946081 360528754 /nfs/dbraw/zinc/52/87/54/360528754.db2.gz RDEJQQCQWNXTAH-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000628647896 360592529 /nfs/dbraw/zinc/59/25/29/360592529.db2.gz LFWMXKIJPYCUBU-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000628648652 360595944 /nfs/dbraw/zinc/59/59/44/360595944.db2.gz KUZJOLBALSMGSV-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628648652 360595946 /nfs/dbraw/zinc/59/59/46/360595946.db2.gz KUZJOLBALSMGSV-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155773706 360918783 /nfs/dbraw/zinc/91/87/83/360918783.db2.gz QZXGXEBDDLRJKD-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP CN(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155773706 360918786 /nfs/dbraw/zinc/91/87/86/360918786.db2.gz QZXGXEBDDLRJKD-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2cccnc2)CCOCC1 ZINC000629386523 361034576 /nfs/dbraw/zinc/03/45/76/361034576.db2.gz BINHUDPGVIJSAI-UHFFFAOYSA-N 2 1 221.304 0.679 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2ccncc2)CCOCC1 ZINC000629388633 361035421 /nfs/dbraw/zinc/03/54/21/361035421.db2.gz UYBATCSOVAJFPC-UHFFFAOYSA-N 2 1 221.304 0.679 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629451700 361076742 /nfs/dbraw/zinc/07/67/42/361076742.db2.gz KUZJOLBALSMGSV-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629451700 361076747 /nfs/dbraw/zinc/07/67/47/361076747.db2.gz KUZJOLBALSMGSV-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000629518366 361117807 /nfs/dbraw/zinc/11/78/07/361117807.db2.gz HWJYSHVBPBOGHA-QJPTWQEYSA-N 2 1 249.362 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000629518366 361117808 /nfs/dbraw/zinc/11/78/08/361117808.db2.gz HWJYSHVBPBOGHA-QJPTWQEYSA-N 2 1 249.362 0.776 20 0 BCADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000629519876 361120869 /nfs/dbraw/zinc/12/08/69/361120869.db2.gz RRVPKEYWBUVIMU-QNWHQSFQSA-N 2 1 241.379 0.423 20 0 BCADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361738906 181324174 /nfs/dbraw/zinc/32/41/74/181324174.db2.gz FYOFBDPWYAEAHR-SDDRHHMPSA-N 2 1 249.358 0.420 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629510370 361108871 /nfs/dbraw/zinc/10/88/71/361108871.db2.gz RCALDACDJRCILH-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629510370 361108872 /nfs/dbraw/zinc/10/88/72/361108872.db2.gz RCALDACDJRCILH-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP [NH3+]C1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000361738905 181323693 /nfs/dbraw/zinc/32/36/93/181323693.db2.gz FYOFBDPWYAEAHR-QJPTWQEYSA-N 2 1 249.358 0.420 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520365 361116348 /nfs/dbraw/zinc/11/63/48/361116348.db2.gz KNCORPQGKGSDOO-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629520365 361116351 /nfs/dbraw/zinc/11/63/51/361116351.db2.gz KNCORPQGKGSDOO-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629528377 361137195 /nfs/dbraw/zinc/13/71/95/361137195.db2.gz XWJBHNWGQKFYCI-SDDRHHMPSA-N 2 1 237.351 0.787 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528917 361137953 /nfs/dbraw/zinc/13/79/53/361137953.db2.gz MYTDZTBYENLHDG-CHWSQXEVSA-N 3 1 243.395 0.542 20 0 BCADMP CCN1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528917 361137955 /nfs/dbraw/zinc/13/79/55/361137955.db2.gz MYTDZTBYENLHDG-CHWSQXEVSA-N 2 1 243.395 0.542 20 0 BCADMP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000629531326 361149426 /nfs/dbraw/zinc/14/94/26/361149426.db2.gz HNZLWEQFOQDAQD-RYUDHWBXSA-N 3 1 229.368 0.343 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532432 361153124 /nfs/dbraw/zinc/15/31/24/361153124.db2.gz AOHXBFCWRAPGBI-UTUOFQBUSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1c[nH+]ccc1N ZINC000629524372 361124762 /nfs/dbraw/zinc/12/47/62/361124762.db2.gz PYCQXDLSDZWJHH-CIUDSAMLSA-N 2 1 234.303 0.409 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000613211246 361274408 /nfs/dbraw/zinc/27/44/08/361274408.db2.gz MMLCSCUXZWEEHN-TXEJJXNPSA-N 2 1 233.315 0.037 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000579103827 366710613 /nfs/dbraw/zinc/71/06/13/366710613.db2.gz UXUHOSPDLBXANO-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363627 201011165 /nfs/dbraw/zinc/01/11/65/201011165.db2.gz ZNONNEOFXVWFCN-OUAUKWLOSA-N 2 1 225.336 0.419 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413205 201013229 /nfs/dbraw/zinc/01/32/29/201013229.db2.gz OLXDFAMDUHJNFW-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413217 201014112 /nfs/dbraw/zinc/01/41/12/201014112.db2.gz OLXDFAMDUHJNFW-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](F)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000579228316 366738161 /nfs/dbraw/zinc/73/81/61/366738161.db2.gz ICFLAYYTLVOZOI-ONGXEEELSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@H](F)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000579228316 366738166 /nfs/dbraw/zinc/73/81/66/366738166.db2.gz ICFLAYYTLVOZOI-ONGXEEELSA-N 2 1 218.316 0.779 20 0 BCADMP C[C@H]([NH3+])CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000622044482 370677130 /nfs/dbraw/zinc/67/71/30/370677130.db2.gz HPPGHLYDAIBBNI-ZMLRMANQSA-N 2 1 227.352 0.080 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000622045388 370679682 /nfs/dbraw/zinc/67/96/82/370679682.db2.gz QYOVQNXLTALIMF-QJPTWQEYSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000622045388 370679684 /nfs/dbraw/zinc/67/96/84/370679684.db2.gz QYOVQNXLTALIMF-QJPTWQEYSA-N 3 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000622045388 370679688 /nfs/dbraw/zinc/67/96/88/370679688.db2.gz QYOVQNXLTALIMF-QJPTWQEYSA-N 3 1 211.353 0.940 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000147674450 181329428 /nfs/dbraw/zinc/32/94/28/181329428.db2.gz ZECYPNUATXVLCZ-QWRGUYRKSA-N 2 1 237.347 0.611 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954363 201053471 /nfs/dbraw/zinc/05/34/71/201053471.db2.gz IIEKNKOSGXTBCU-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429033366 201062174 /nfs/dbraw/zinc/06/21/74/201062174.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429033366 201062177 /nfs/dbraw/zinc/06/21/77/201062177.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429033366 201062179 /nfs/dbraw/zinc/06/21/79/201062179.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265878 201086556 /nfs/dbraw/zinc/08/65/56/201086556.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265878 201086558 /nfs/dbraw/zinc/08/65/58/201086558.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265878 201086562 /nfs/dbraw/zinc/08/65/62/201086562.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265878 201086564 /nfs/dbraw/zinc/08/65/64/201086564.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CCC1 ZINC000429265878 201086568 /nfs/dbraw/zinc/08/65/68/201086568.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265878 201086571 /nfs/dbraw/zinc/08/65/71/201086571.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265878 201086572 /nfs/dbraw/zinc/08/65/72/201086572.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000429156112 201074553 /nfs/dbraw/zinc/07/45/53/201074553.db2.gz DSVIABNYWCJSCU-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429189622 201078641 /nfs/dbraw/zinc/07/86/41/201078641.db2.gz CLKJHOKHHVAMDN-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629543102 361421691 /nfs/dbraw/zinc/42/16/91/361421691.db2.gz STODSWWNRWPIRV-QJPTWQEYSA-N 2 1 237.351 0.787 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000629545631 361426807 /nfs/dbraw/zinc/42/68/07/361426807.db2.gz MHBGBZUZEATOHT-IVZWLZJFSA-N 2 1 225.336 0.384 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542120 361417547 /nfs/dbraw/zinc/41/75/47/361417547.db2.gz YPCNFOHLKGZUPQ-WYUUTHIRSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CC[N@H+]1C ZINC000629542477 361419374 /nfs/dbraw/zinc/41/93/74/361419374.db2.gz YVXWCXNAJSNMAT-RYUDHWBXSA-N 3 1 229.368 0.424 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCN1C ZINC000629542477 361419381 /nfs/dbraw/zinc/41/93/81/361419381.db2.gz YVXWCXNAJSNMAT-RYUDHWBXSA-N 2 1 229.368 0.424 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC000629570689 361460720 /nfs/dbraw/zinc/46/07/20/361460720.db2.gz BAMCIRIAGXTYPM-CYBMUJFWSA-N 2 1 244.379 0.969 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629569526 361461837 /nfs/dbraw/zinc/46/18/37/361461837.db2.gz XQFGEPQCAOYFEZ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629569526 361461840 /nfs/dbraw/zinc/46/18/40/361461840.db2.gz XQFGEPQCAOYFEZ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](c1cnccn1)[N@H+](C)CCOCC[NH3+] ZINC000629578216 361464088 /nfs/dbraw/zinc/46/40/88/361464088.db2.gz OSYKRXQXSKFCDH-SNVBAGLBSA-N 2 1 224.308 0.445 20 0 BCADMP C[C@H](c1cnccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629578216 361464094 /nfs/dbraw/zinc/46/40/94/361464094.db2.gz OSYKRXQXSKFCDH-SNVBAGLBSA-N 2 1 224.308 0.445 20 0 BCADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])nc1 ZINC000629578874 361465212 /nfs/dbraw/zinc/46/52/12/361465212.db2.gz XHVVTJIQRGWFHR-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000629580405 361465836 /nfs/dbraw/zinc/46/58/36/361465836.db2.gz AUHGDIQQCGDNQV-SNVBAGLBSA-N 2 1 220.288 0.022 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@H](CCF)C1 ZINC000629580405 361465842 /nfs/dbraw/zinc/46/58/42/361465842.db2.gz AUHGDIQQCGDNQV-SNVBAGLBSA-N 2 1 220.288 0.022 20 0 BCADMP O[C@@H](C[NH2+]C1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000629576669 361466461 /nfs/dbraw/zinc/46/64/61/361466461.db2.gz VLSATMVWLHPVNC-JTQLQIEISA-N 2 1 234.290 0.830 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000629583690 361467854 /nfs/dbraw/zinc/46/78/54/361467854.db2.gz JLAYYLUUMWPLFQ-OKILXGFUSA-N 3 1 237.391 0.917 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947995 201159302 /nfs/dbraw/zinc/15/93/02/201159302.db2.gz GRHZXVMTSZZXDB-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947995 201159306 /nfs/dbraw/zinc/15/93/06/201159306.db2.gz GRHZXVMTSZZXDB-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CCn1nccc1CC[N@@H+](C)CCOCC[NH3+] ZINC000629580986 361470854 /nfs/dbraw/zinc/47/08/54/361470854.db2.gz IWFYJCNFMSAUCL-UHFFFAOYSA-N 2 1 240.351 0.353 20 0 BCADMP Cc1ncccc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000629598561 361489083 /nfs/dbraw/zinc/48/90/83/361489083.db2.gz NFSNCAAAYYMZBT-CQSZACIVSA-N 2 1 249.358 0.935 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000629598561 361489088 /nfs/dbraw/zinc/48/90/88/361489088.db2.gz NFSNCAAAYYMZBT-CQSZACIVSA-N 2 1 249.358 0.935 20 0 BCADMP CC[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+](C)C ZINC000629612786 361499028 /nfs/dbraw/zinc/49/90/28/361499028.db2.gz HOSPDXQRSVPEDG-ZYHUDNBSSA-N 2 1 245.342 0.487 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC[N@@H+]1C ZINC000152348970 201196316 /nfs/dbraw/zinc/19/63/16/201196316.db2.gz YXYPRBJFDSXKAH-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC[N@H+]1C ZINC000152348970 201196318 /nfs/dbraw/zinc/19/63/18/201196318.db2.gz YXYPRBJFDSXKAH-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C1=C(C[NH2+]C[C@@H]2C[NH2+]CCCO2)COCC1 ZINC000629648695 361537827 /nfs/dbraw/zinc/53/78/27/361537827.db2.gz ACAMVFCTZJODOT-LBPRGKRZSA-N 2 1 226.320 0.301 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC2=CCCOC2)CCCO1 ZINC000629647882 361539538 /nfs/dbraw/zinc/53/95/38/361539538.db2.gz CTAUMSFWUSXSSO-LBPRGKRZSA-N 2 1 226.320 0.383 20 0 BCADMP Cn1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000629648089 361539825 /nfs/dbraw/zinc/53/98/25/361539825.db2.gz GYYGXDBJWQWKIU-GFCCVEGCSA-N 2 1 223.320 0.575 20 0 BCADMP Cn1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000629648089 361539831 /nfs/dbraw/zinc/53/98/31/361539831.db2.gz GYYGXDBJWQWKIU-GFCCVEGCSA-N 2 1 223.320 0.575 20 0 BCADMP COC[C@@]1(C[NH2+]CC2=CCCOC2)CCC[NH2+]1 ZINC000629649686 361546704 /nfs/dbraw/zinc/54/67/04/361546704.db2.gz ZDBVWDQSDRTAGP-ZDUSSCGKSA-N 2 1 240.347 0.691 20 0 BCADMP Cc1nn(C)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629663109 361595607 /nfs/dbraw/zinc/59/56/07/361595607.db2.gz JSTJNRYFZGHMPJ-UHFFFAOYSA-N 2 1 226.324 0.136 20 0 BCADMP CN(C)CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434425782 201218965 /nfs/dbraw/zinc/21/89/65/201218965.db2.gz QRRZCHJTNBXOON-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434425782 201218970 /nfs/dbraw/zinc/21/89/70/201218970.db2.gz QRRZCHJTNBXOON-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000629672228 361614304 /nfs/dbraw/zinc/61/43/04/361614304.db2.gz OQNZSFJGBMZTPL-NOOOWODRSA-N 2 1 211.353 0.715 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000434678169 201231559 /nfs/dbraw/zinc/23/15/59/201231559.db2.gz CRTUJCIVPFVRPR-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000434697417 201235077 /nfs/dbraw/zinc/23/50/77/201235077.db2.gz ONEBIJKOORCXIB-SCVCMEIPSA-N 2 1 239.363 0.713 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000434693935 201235203 /nfs/dbraw/zinc/23/52/03/201235203.db2.gz IPNKMSHIIPNHGI-NSHDSACASA-N 2 1 229.368 0.960 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000435878570 201291369 /nfs/dbraw/zinc/29/13/69/201291369.db2.gz DBNKWYYMZOCPKY-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP C[NH2+]CCCN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000435872712 201291551 /nfs/dbraw/zinc/29/15/51/201291551.db2.gz QEDIVSVOWZNVDU-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP CC[C@H]1CN(CCC[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000435872906 201292372 /nfs/dbraw/zinc/29/23/72/201292372.db2.gz SIWSFGHGPQPUMQ-OLZOCXBDSA-N 2 1 243.395 0.373 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435873579 201294036 /nfs/dbraw/zinc/29/40/36/201294036.db2.gz WILVKKAXBFTPQS-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435873578 201294158 /nfs/dbraw/zinc/29/41/58/201294158.db2.gz WILVKKAXBFTPQS-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111938 541310165 /nfs/dbraw/zinc/31/01/65/541310165.db2.gz HBLHHICKVRLEQO-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369165867 181357596 /nfs/dbraw/zinc/35/75/96/181357596.db2.gz JRSJZFYFTDRSTE-PSASIEDQSA-N 2 1 247.289 0.086 20 0 BCADMP COCC[C@@H]([NH3+])Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000630585347 364292002 /nfs/dbraw/zinc/29/20/02/364292002.db2.gz BTXCEGCJAWLBOA-SNVBAGLBSA-N 2 1 247.302 0.569 20 0 BCADMP CC[NH+](CC)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000630595051 364308333 /nfs/dbraw/zinc/30/83/33/364308333.db2.gz KJKNRNMVBBXQOC-SECBINFHSA-N 2 1 211.313 0.467 20 0 BCADMP CC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308749766 541367230 /nfs/dbraw/zinc/36/72/30/541367230.db2.gz TWAQTGKVONLSQZ-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308749766 541367233 /nfs/dbraw/zinc/36/72/33/541367233.db2.gz TWAQTGKVONLSQZ-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP CN(C)C1(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000615184431 364612700 /nfs/dbraw/zinc/61/27/00/364612700.db2.gz HTEVNUADDAVBFZ-GHMZBOCLSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000615184431 364612708 /nfs/dbraw/zinc/61/27/08/364612708.db2.gz HTEVNUADDAVBFZ-GHMZBOCLSA-N 2 1 237.347 0.243 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000167476453 364794160 /nfs/dbraw/zinc/79/41/60/364794160.db2.gz LEKYXOVWQBLCON-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295315920 181371061 /nfs/dbraw/zinc/37/10/61/181371061.db2.gz YSPCFWFOVHWGHK-UHFFFAOYSA-N 2 1 233.315 0.862 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000573501381 364848411 /nfs/dbraw/zinc/84/84/11/364848411.db2.gz JFPHSSHZBKKZEU-DTWKUNHWSA-N 2 1 249.305 0.556 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000328405914 364851281 /nfs/dbraw/zinc/85/12/81/364851281.db2.gz NQIFZFJKBMQNLL-LLVKDONJSA-N 2 1 225.336 0.420 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328187964 364816501 /nfs/dbraw/zinc/81/65/01/364816501.db2.gz OPDRJIUDXFFHGY-IJLUTSLNSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328187964 364816509 /nfs/dbraw/zinc/81/65/09/364816509.db2.gz OPDRJIUDXFFHGY-IJLUTSLNSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+]CCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485363 181372372 /nfs/dbraw/zinc/37/23/72/181372372.db2.gz RXAIDZYMHCQLQK-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[NH2+][C@H](C)C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000573696888 364896107 /nfs/dbraw/zinc/89/61/07/364896107.db2.gz MHXOTTZHSSPWGH-SECBINFHSA-N 2 1 245.286 0.814 20 0 BCADMP [NH3+]CCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485364 181372759 /nfs/dbraw/zinc/37/27/59/181372759.db2.gz RXAIDZYMHCQLQK-JTQLQIEISA-N 2 1 225.336 0.326 20 0 BCADMP OC[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000573879146 364936946 /nfs/dbraw/zinc/93/69/46/364936946.db2.gz RZMRKOCWAIJRSP-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000573879146 364936950 /nfs/dbraw/zinc/93/69/50/364936950.db2.gz RZMRKOCWAIJRSP-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000573879144 364937243 /nfs/dbraw/zinc/93/72/43/364937243.db2.gz RZMRKOCWAIJRSP-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000573879144 364937249 /nfs/dbraw/zinc/93/72/49/364937249.db2.gz RZMRKOCWAIJRSP-CHWSQXEVSA-N 2 1 242.363 0.147 20 0 BCADMP [NH3+]CCC[N@@H+](CCOCC[NH3+])CC1CCCC1 ZINC000357080004 181379906 /nfs/dbraw/zinc/37/99/06/181379906.db2.gz DZWMYGNVWMPDAD-UHFFFAOYSA-N 3 1 243.395 0.803 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]C2CN(C(C)=O)C2)[C@@H](C)C1 ZINC000574171270 365002966 /nfs/dbraw/zinc/00/29/66/365002966.db2.gz LXIUJXHVNDOSQX-GXFFZTMASA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C2CN(C(C)=O)C2)[C@@H](C)C1 ZINC000574171270 365002973 /nfs/dbraw/zinc/00/29/73/365002973.db2.gz LXIUJXHVNDOSQX-GXFFZTMASA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284209 365028936 /nfs/dbraw/zinc/02/89/36/365028936.db2.gz PGNSQXUNFJHCHB-TUAOUCFPSA-N 2 1 214.353 0.935 20 0 BCADMP CCOC1CC([N@H+](C)C[C@@H](O)CN(C)CC)C1 ZINC000574581351 365094838 /nfs/dbraw/zinc/09/48/38/365094838.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@@H+](C)C[C@@H](O)CN(C)CC)C1 ZINC000574581351 365094842 /nfs/dbraw/zinc/09/48/42/365094842.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@H+](C)C[C@@H](O)C[NH+](C)CC)C1 ZINC000574581351 365094849 /nfs/dbraw/zinc/09/48/49/365094849.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([N@@H+](C)C[C@@H](O)C[NH+](C)CC)C1 ZINC000574581351 365094855 /nfs/dbraw/zinc/09/48/55/365094855.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([NH+](C)C[C@@H](O)C[N@H+](C)CC)C1 ZINC000574581351 365094861 /nfs/dbraw/zinc/09/48/61/365094861.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC1CC([NH+](C)C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000574581351 365094869 /nfs/dbraw/zinc/09/48/69/365094869.db2.gz IHJOXBIQSGBZMA-CPCZMJQVSA-N 2 1 244.379 0.798 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000574873422 365163551 /nfs/dbraw/zinc/16/35/51/365163551.db2.gz QTOZTPQYRMDMHK-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177010 193040236 /nfs/dbraw/zinc/04/02/36/193040236.db2.gz SBCWHPPFBJVITQ-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444274059 193043292 /nfs/dbraw/zinc/04/32/92/193043292.db2.gz WYRNVDRZXWGVRK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C)CCC(=O)NC ZINC000171940718 365256542 /nfs/dbraw/zinc/25/65/42/365256542.db2.gz YHXQEQIAOIPWSX-UHFFFAOYSA-N 2 1 229.368 0.786 20 0 BCADMP CC(C)=CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379813869 365277606 /nfs/dbraw/zinc/27/76/06/365277606.db2.gz QODRPHMTTUFPJN-LBPRGKRZSA-N 2 1 212.337 0.997 20 0 BCADMP CC(C)=CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379813869 365277614 /nfs/dbraw/zinc/27/76/14/365277614.db2.gz QODRPHMTTUFPJN-LBPRGKRZSA-N 2 1 212.337 0.997 20 0 BCADMP CC[NH2+]CCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000579701417 366982577 /nfs/dbraw/zinc/98/25/77/366982577.db2.gz ZWOHCTQXNPRPIG-LBPRGKRZSA-N 2 1 229.368 0.296 20 0 BCADMP CC(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579853027 367052015 /nfs/dbraw/zinc/05/20/15/367052015.db2.gz ABIUYGZFXROWPX-MNOVXSKESA-N 2 1 225.336 0.276 20 0 BCADMP C[NH+]1CCC(CNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000580841125 367185827 /nfs/dbraw/zinc/18/58/27/367185827.db2.gz PKAHUYOSVRASBW-UHFFFAOYSA-N 2 1 249.305 0.429 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000580900031 367201872 /nfs/dbraw/zinc/20/18/72/367201872.db2.gz DCTNBSIKKAZJRB-ZETCQYMHSA-N 2 1 237.294 0.460 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1C(N)=O ZINC000581303681 367332303 /nfs/dbraw/zinc/33/23/03/367332303.db2.gz QIJDKRXEGLBRDC-JTQLQIEISA-N 2 1 248.330 0.711 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1C(N)=O ZINC000581303681 367332309 /nfs/dbraw/zinc/33/23/09/367332309.db2.gz QIJDKRXEGLBRDC-JTQLQIEISA-N 2 1 248.330 0.711 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000381362838 367387305 /nfs/dbraw/zinc/38/73/05/367387305.db2.gz FKLMBQMSAHWEDL-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000381362838 367387310 /nfs/dbraw/zinc/38/73/10/367387310.db2.gz FKLMBQMSAHWEDL-IJLUTSLNSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)[C@@H]2CC[NH2+]C2)CCO1 ZINC000581370224 367401765 /nfs/dbraw/zinc/40/17/65/367401765.db2.gz NOEYIPATIQBRJY-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](CCN(C)[C@@H]2CC[NH2+]C2)CCO1 ZINC000581370224 367401770 /nfs/dbraw/zinc/40/17/70/367401770.db2.gz NOEYIPATIQBRJY-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP NC1(C[NH2+]CCC2CC[NH2+]CC2)CCC1 ZINC000381229118 367367385 /nfs/dbraw/zinc/36/73/85/367367385.db2.gz KMLHYTHSOBSWTQ-UHFFFAOYSA-N 2 1 211.353 0.847 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719315 367450094 /nfs/dbraw/zinc/45/00/94/367450094.db2.gz LPLSZOFANWJADE-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719315 367450101 /nfs/dbraw/zinc/45/01/01/367450101.db2.gz LPLSZOFANWJADE-TUAOUCFPSA-N 3 1 211.353 0.655 20 0 BCADMP Cc1noc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000581549100 367578013 /nfs/dbraw/zinc/57/80/13/367578013.db2.gz UBKUHIWSZKMFSJ-PHIMTYICSA-N 2 1 236.319 0.462 20 0 BCADMP Cc1noc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000581549100 367578019 /nfs/dbraw/zinc/57/80/19/367578019.db2.gz UBKUHIWSZKMFSJ-PHIMTYICSA-N 2 1 236.319 0.462 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000383490194 367629010 /nfs/dbraw/zinc/62/90/10/367629010.db2.gz AROHQUKLIDPFTK-WCQYABFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000383490194 367629012 /nfs/dbraw/zinc/62/90/12/367629012.db2.gz AROHQUKLIDPFTK-WCQYABFASA-N 2 1 244.379 0.392 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000383302655 367611846 /nfs/dbraw/zinc/61/18/46/367611846.db2.gz HSQSWZAJXNQQNB-NXEZZACHSA-N 2 1 239.363 0.726 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1nccn1C ZINC000383661655 367647868 /nfs/dbraw/zinc/64/78/68/367647868.db2.gz GLAVJXNWZCYLAU-NSHDSACASA-N 2 1 240.351 0.165 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000581671775 367702208 /nfs/dbraw/zinc/70/22/08/367702208.db2.gz IECWLUPANKWCAV-GFCCVEGCSA-N 2 1 242.363 0.459 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000581671775 367702211 /nfs/dbraw/zinc/70/22/11/367702211.db2.gz IECWLUPANKWCAV-GFCCVEGCSA-N 2 1 242.363 0.459 20 0 BCADMP CC/C=C/C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384824344 367737123 /nfs/dbraw/zinc/73/71/23/367737123.db2.gz FVFLVSVHVBNTJW-ITKZLYELSA-N 2 1 212.337 0.997 20 0 BCADMP CC/C=C/C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384824344 367737132 /nfs/dbraw/zinc/73/71/32/367737132.db2.gz FVFLVSVHVBNTJW-ITKZLYELSA-N 2 1 212.337 0.997 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384838414 367739759 /nfs/dbraw/zinc/73/97/59/367739759.db2.gz RDHXDUXEUCMUJA-IJLUTSLNSA-N 2 1 237.347 0.434 20 0 BCADMP CN(C)c1nc(N(C)C2CC([NH3+])C2)cc[nH+]1 ZINC000384906972 367754959 /nfs/dbraw/zinc/75/49/59/367754959.db2.gz PCURCUDBBHYEPV-UHFFFAOYSA-N 2 1 221.308 0.469 20 0 BCADMP C[C@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824320 367832022 /nfs/dbraw/zinc/83/20/22/367832022.db2.gz FZTCDCOJBNNTEV-NEPJUHHUSA-N 3 1 211.353 0.575 20 0 BCADMP C[C@@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824321 367832097 /nfs/dbraw/zinc/83/20/97/367832097.db2.gz FZTCDCOJBNNTEV-NWDGAFQWSA-N 3 1 211.353 0.575 20 0 BCADMP CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386094814 367911353 /nfs/dbraw/zinc/91/13/53/367911353.db2.gz ISMGDEBDQAKIJV-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386140089 367920340 /nfs/dbraw/zinc/92/03/40/367920340.db2.gz QHYQETVYYBALEO-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000566233323 326019687 /nfs/dbraw/zinc/01/96/87/326019687.db2.gz JPDRYCBIKYLHCM-CHWSQXEVSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386022012 367898611 /nfs/dbraw/zinc/89/86/11/367898611.db2.gz OVSFSHHCVITDHH-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386022006 367898914 /nfs/dbraw/zinc/89/89/14/367898914.db2.gz OVSFSHHCVITDHH-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386482650 367980211 /nfs/dbraw/zinc/98/02/11/367980211.db2.gz SIHODQYCDHWVOF-AVGNSLFASA-N 2 1 244.379 0.894 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620897 368003472 /nfs/dbraw/zinc/00/34/72/368003472.db2.gz YEFAKYWGYIPQPM-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H](C)O ZINC000386935712 368036510 /nfs/dbraw/zinc/03/65/10/368036510.db2.gz SNIDWNKOEMJOCO-GRYCIOLGSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H](C)O ZINC000386935717 368037172 /nfs/dbraw/zinc/03/71/72/368037172.db2.gz SNIDWNKOEMJOCO-WOPDTQHZSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000386891219 368031257 /nfs/dbraw/zinc/03/12/57/368031257.db2.gz KFSJDJQZKRXYSL-QUDJTUOCSA-N 2 1 212.337 0.971 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000566570266 326065491 /nfs/dbraw/zinc/06/54/91/326065491.db2.gz GPISUDVFHLTUID-PHIMTYICSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000566570266 326065495 /nfs/dbraw/zinc/06/54/95/326065495.db2.gz GPISUDVFHLTUID-PHIMTYICSA-N 2 1 227.352 0.489 20 0 BCADMP CN(C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104543 326116593 /nfs/dbraw/zinc/11/65/93/326116593.db2.gz SVAJORCDFNNWQE-TUAOUCFPSA-N 2 1 230.327 0.922 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000067573378 368692148 /nfs/dbraw/zinc/69/21/48/368692148.db2.gz WOKNGTQMPOFEFM-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082717623 368708431 /nfs/dbraw/zinc/70/84/31/368708431.db2.gz MZCKHKGJAKJJDT-AOOOYVTPSA-N 2 1 212.293 0.091 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082717623 368708436 /nfs/dbraw/zinc/70/84/36/368708436.db2.gz MZCKHKGJAKJJDT-AOOOYVTPSA-N 2 1 212.293 0.091 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH+](C)C ZINC000622409009 370904057 /nfs/dbraw/zinc/90/40/57/370904057.db2.gz SOBADTPUQAWIFQ-UHFFFAOYSA-N 2 1 224.308 0.212 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000457203880 203019059 /nfs/dbraw/zinc/01/90/59/203019059.db2.gz IZKUZVZCTOYTIG-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000631822177 368975921 /nfs/dbraw/zinc/97/59/21/368975921.db2.gz VGJRWNVWSBZPBZ-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631830675 369009083 /nfs/dbraw/zinc/00/90/83/369009083.db2.gz YRLHLTNPCAAXGM-VXGBXAGGSA-N 2 1 230.352 0.579 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000631838752 369122357 /nfs/dbraw/zinc/12/23/57/369122357.db2.gz URHHMFYEYQPMDK-RKDXNWHRSA-N 2 1 222.279 0.795 20 0 BCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH+](C)C ZINC000618989587 369253191 /nfs/dbraw/zinc/25/31/91/369253191.db2.gz SIJTVPYKXLKWTR-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576600 369353945 /nfs/dbraw/zinc/35/39/45/369353945.db2.gz HNYFRPUJVGXLMN-STQMWFEESA-N 2 1 245.326 0.437 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000567811710 326261626 /nfs/dbraw/zinc/26/16/26/326261626.db2.gz AZPLPOHBHYXZFP-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC000405427174 369459773 /nfs/dbraw/zinc/45/97/73/369459773.db2.gz HWZJCMGKDWSAPI-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860636 369469413 /nfs/dbraw/zinc/46/94/13/369469413.db2.gz METXSZUEZBNWDP-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860636 369469416 /nfs/dbraw/zinc/46/94/16/369469416.db2.gz METXSZUEZBNWDP-IJLUTSLNSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860636 369469418 /nfs/dbraw/zinc/46/94/18/369469418.db2.gz METXSZUEZBNWDP-IJLUTSLNSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC000631860636 369469421 /nfs/dbraw/zinc/46/94/21/369469421.db2.gz METXSZUEZBNWDP-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CCC[NH+]1CCOCC1 ZINC000631860900 369469901 /nfs/dbraw/zinc/46/99/01/369469901.db2.gz RGPDRWNOHPSEHN-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000567839432 326267733 /nfs/dbraw/zinc/26/77/33/326267733.db2.gz YGPABYZQTZTKSQ-QMMMGPOBSA-N 2 1 235.278 0.086 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000166145925 203388107 /nfs/dbraw/zinc/38/81/07/203388107.db2.gz YKQNCPOUCVIHFJ-SRVKXCTJSA-N 2 1 229.368 0.293 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCC)C1 ZINC000619898833 369629995 /nfs/dbraw/zinc/62/99/95/369629995.db2.gz LSLGPJQONQFTNR-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000619898833 369630001 /nfs/dbraw/zinc/63/00/01/369630001.db2.gz LSLGPJQONQFTNR-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619898833 369630004 /nfs/dbraw/zinc/63/00/04/369630004.db2.gz LSLGPJQONQFTNR-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000619900443 369632449 /nfs/dbraw/zinc/63/24/49/369632449.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000619900443 369632451 /nfs/dbraw/zinc/63/24/51/369632451.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000619900443 369632454 /nfs/dbraw/zinc/63/24/54/369632454.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000619900547 369632755 /nfs/dbraw/zinc/63/27/55/369632755.db2.gz CZJWKRZOUSRXSN-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000568050856 326300460 /nfs/dbraw/zinc/30/04/60/326300460.db2.gz JTCFBRMOEVCEHP-NEPJUHHUSA-N 2 1 214.353 0.935 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[NH+]1CCCCC1 ZINC000568149160 326313351 /nfs/dbraw/zinc/31/33/51/326313351.db2.gz BZCPPNFXTYDYOI-UHFFFAOYSA-N 2 1 249.305 0.573 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321731 /nfs/dbraw/zinc/32/17/31/326321731.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321733 /nfs/dbraw/zinc/32/17/33/326321733.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H](C)[NH2+]1 ZINC000620904524 370052263 /nfs/dbraw/zinc/05/22/63/370052263.db2.gz PGMXOKNWDBLGSO-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+]Cc1noc(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000621246191 370180032 /nfs/dbraw/zinc/18/00/32/370180032.db2.gz PWBBOVVOPMHYMY-QMMMGPOBSA-N 2 1 210.281 0.461 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[NH2+]1 ZINC000621152217 370125636 /nfs/dbraw/zinc/12/56/36/370125636.db2.gz RWBQBMLYIRLPTG-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000621152892 370125878 /nfs/dbraw/zinc/12/58/78/370125878.db2.gz GZOMLWGFISPBMJ-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000621152893 370125946 /nfs/dbraw/zinc/12/59/46/370125946.db2.gz GZOMLWGFISPBMJ-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252881804 370138341 /nfs/dbraw/zinc/13/83/41/370138341.db2.gz YZAWMINZWHBKMT-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176744 370155913 /nfs/dbraw/zinc/15/59/13/370155913.db2.gz QAKWGDWYLJOSCB-PWSUYJOCSA-N 2 1 237.347 0.149 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321736 /nfs/dbraw/zinc/32/17/36/326321736.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP COCCSCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309650899 370239943 /nfs/dbraw/zinc/23/99/43/370239943.db2.gz OBHSSZZIRAGXCK-TXEJJXNPSA-N 2 1 244.404 0.907 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000310218357 370322515 /nfs/dbraw/zinc/32/25/15/370322515.db2.gz FNZHXQHAVNVCSB-NWDGAFQWSA-N 2 1 240.351 0.174 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000310462380 370346942 /nfs/dbraw/zinc/34/69/42/370346942.db2.gz BCJBSQWRKZSZPW-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000310462380 370346944 /nfs/dbraw/zinc/34/69/44/370346944.db2.gz BCJBSQWRKZSZPW-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000310462380 370346946 /nfs/dbraw/zinc/34/69/46/370346946.db2.gz BCJBSQWRKZSZPW-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000310462380 370346949 /nfs/dbraw/zinc/34/69/49/370346949.db2.gz BCJBSQWRKZSZPW-YNEHKIRRSA-N 2 1 244.379 0.534 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621680655 370430687 /nfs/dbraw/zinc/43/06/87/370430687.db2.gz GHWNIJCBKTVENS-SCZZXKLOSA-N 2 1 247.289 0.310 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690156 370439319 /nfs/dbraw/zinc/43/93/19/370439319.db2.gz QFQRTKJRZCUBLI-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP CCn1cc(CC[N@H+]2CC[C@H](C[NH2+]C)C2)cn1 ZINC000621774310 370520142 /nfs/dbraw/zinc/52/01/42/370520142.db2.gz QNYBNDWWFXEFQK-GFCCVEGCSA-N 2 1 236.363 0.987 20 0 BCADMP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784411 370536400 /nfs/dbraw/zinc/53/64/00/370536400.db2.gz OLMUOBLAWVARIM-NHCYSSNCSA-N 2 1 223.320 0.030 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784411 370536405 /nfs/dbraw/zinc/53/64/05/370536405.db2.gz OLMUOBLAWVARIM-NHCYSSNCSA-N 2 1 223.320 0.030 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785011 370537933 /nfs/dbraw/zinc/53/79/33/370537933.db2.gz XSVQCGNSSZLQOO-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785011 370537935 /nfs/dbraw/zinc/53/79/35/370537935.db2.gz XSVQCGNSSZLQOO-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CCn1cc(CC[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000621775034 370521609 /nfs/dbraw/zinc/52/16/09/370521609.db2.gz DJFYIUKVHGFHBI-UHFFFAOYSA-N 2 1 222.336 0.867 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777485 370527250 /nfs/dbraw/zinc/52/72/50/370527250.db2.gz CYFWDHPMYWEGFW-STQMWFEESA-N 3 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777485 370527258 /nfs/dbraw/zinc/52/72/58/370527258.db2.gz CYFWDHPMYWEGFW-STQMWFEESA-N 2 1 223.364 0.799 20 0 BCADMP N[C@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777485 370527264 /nfs/dbraw/zinc/52/72/64/370527264.db2.gz CYFWDHPMYWEGFW-STQMWFEESA-N 2 1 223.364 0.799 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1=O ZINC000621779167 370529099 /nfs/dbraw/zinc/52/90/99/370529099.db2.gz AZQLCKVBXJTLCS-OCCSQVGLSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1=O ZINC000621779167 370529106 /nfs/dbraw/zinc/52/91/06/370529106.db2.gz AZQLCKVBXJTLCS-OCCSQVGLSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781960 370530811 /nfs/dbraw/zinc/53/08/11/370530811.db2.gz KLNFDXNHWHKLSL-QWHCGFSZSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781960 370530814 /nfs/dbraw/zinc/53/08/14/370530814.db2.gz KLNFDXNHWHKLSL-QWHCGFSZSA-N 2 1 234.347 0.776 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCc2cccnc2)CCCO1 ZINC000313347157 370581466 /nfs/dbraw/zinc/58/14/66/370581466.db2.gz JXHRYUMMPCOFEO-ZDUSSCGKSA-N 2 1 235.331 0.674 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccnc2)CCCO1 ZINC000313347157 370581469 /nfs/dbraw/zinc/58/14/69/370581469.db2.gz JXHRYUMMPCOFEO-ZDUSSCGKSA-N 2 1 235.331 0.674 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1ccc[nH]c1=O ZINC000623777394 371089690 /nfs/dbraw/zinc/08/96/90/371089690.db2.gz CQVHABQXDJTQDU-MWLCHTKSSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccc[nH]c1=O ZINC000623777394 371089695 /nfs/dbraw/zinc/08/96/95/371089695.db2.gz CQVHABQXDJTQDU-MWLCHTKSSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000569230405 326395385 /nfs/dbraw/zinc/39/53/85/326395385.db2.gz WNBNJEXCSGXQDN-FIQHERPVSA-N 2 1 241.379 0.768 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCCO1 ZINC000623960918 371198481 /nfs/dbraw/zinc/19/84/81/371198481.db2.gz MCOIDYKDJVIRBW-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000623960918 371198485 /nfs/dbraw/zinc/19/84/85/371198485.db2.gz MCOIDYKDJVIRBW-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[C@@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228535 371417573 /nfs/dbraw/zinc/41/75/73/371417573.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228535 371417578 /nfs/dbraw/zinc/41/75/78/371417578.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@@H](NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228535 371417582 /nfs/dbraw/zinc/41/75/82/371417582.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP O=C(CC[NH2+]C1CC1)NCC[N@@H+]1CC=CCC1 ZINC000392800148 371457551 /nfs/dbraw/zinc/45/75/51/371457551.db2.gz PUSSKTIOECOEHM-UHFFFAOYSA-N 2 1 237.347 0.507 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000627488142 371653247 /nfs/dbraw/zinc/65/32/47/371653247.db2.gz SBNUPEMDDIJWAM-NWDGAFQWSA-N 2 1 248.330 0.354 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000627488142 371653250 /nfs/dbraw/zinc/65/32/50/371653250.db2.gz SBNUPEMDDIJWAM-NWDGAFQWSA-N 2 1 248.330 0.354 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000171377339 372563420 /nfs/dbraw/zinc/56/34/20/372563420.db2.gz QANWCVKFCBFAKD-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000171377339 372563421 /nfs/dbraw/zinc/56/34/21/372563421.db2.gz QANWCVKFCBFAKD-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[NH+](C)C ZINC000171393428 372567395 /nfs/dbraw/zinc/56/73/95/372567395.db2.gz QHLXFNIOFVZSIA-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[NH+](C)C ZINC000171393428 372567400 /nfs/dbraw/zinc/56/74/00/372567400.db2.gz QHLXFNIOFVZSIA-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000171399970 372569828 /nfs/dbraw/zinc/56/98/28/372569828.db2.gz LUQAMJMITZTKFG-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+](CCC[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631821646 372596663 /nfs/dbraw/zinc/59/66/63/372596663.db2.gz FCEKWGAVFUCREO-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP C[N@@H+](CCC[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631821646 372596670 /nfs/dbraw/zinc/59/66/70/372596670.db2.gz FCEKWGAVFUCREO-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+](CCC[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631821645 372596925 /nfs/dbraw/zinc/59/69/25/372596925.db2.gz FCEKWGAVFUCREO-LLVKDONJSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@@H+](CCC[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631821645 372596928 /nfs/dbraw/zinc/59/69/28/372596928.db2.gz FCEKWGAVFUCREO-LLVKDONJSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631822449 372598666 /nfs/dbraw/zinc/59/86/66/372598666.db2.gz DJRLOQLKAGJWHT-GMTAPVOTSA-N 2 1 235.335 0.435 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822450 372599040 /nfs/dbraw/zinc/59/90/40/372599040.db2.gz DJRLOQLKAGJWHT-MXWKQRLJSA-N 2 1 235.335 0.435 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCc2ncnn21 ZINC000631822636 372599485 /nfs/dbraw/zinc/59/94/85/372599485.db2.gz JUWUDYZKNUQLHB-PWSUYJOCSA-N 2 1 237.351 0.728 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631826765 372606288 /nfs/dbraw/zinc/60/62/88/372606288.db2.gz WLMTWVDUCFWYTH-VXGBXAGGSA-N 2 1 249.362 0.969 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000631829623 372609622 /nfs/dbraw/zinc/60/96/22/372609622.db2.gz WHYUPSGIEMQMJQ-VOBJUBJWSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828844 372610732 /nfs/dbraw/zinc/61/07/32/372610732.db2.gz ZUIAANGCMZJLGM-UTUOFQBUSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000631829624 372611923 /nfs/dbraw/zinc/61/19/23/372611923.db2.gz WHYUPSGIEMQMJQ-ZYGVAYEYSA-N 2 1 210.321 0.835 20 0 BCADMP COCc1ncc2c(n1)CC[N@@H+](CCC[NH3+])C2 ZINC000631835608 372622961 /nfs/dbraw/zinc/62/29/61/372622961.db2.gz VVZUPCCLFPFTOH-UHFFFAOYSA-N 2 1 236.319 0.330 20 0 BCADMP COCc1ncc2c(n1)CC[N@H+](CCC[NH3+])C2 ZINC000631835608 372622968 /nfs/dbraw/zinc/62/29/68/372622968.db2.gz VVZUPCCLFPFTOH-UHFFFAOYSA-N 2 1 236.319 0.330 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836842 372624224 /nfs/dbraw/zinc/62/42/24/372624224.db2.gz HWRDZIRAFKDDQG-GXSJLCMTSA-N 2 1 220.320 0.812 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836842 372624230 /nfs/dbraw/zinc/62/42/30/372624230.db2.gz HWRDZIRAFKDDQG-GXSJLCMTSA-N 2 1 220.320 0.812 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838371 372628039 /nfs/dbraw/zinc/62/80/39/372628039.db2.gz NEQAOBYSCUDFFD-CMPLNLGQSA-N 3 1 211.353 0.513 20 0 BCADMP OCC[NH2+]C1CC[NH+](CCc2cccnc2)CC1 ZINC000631861787 372663190 /nfs/dbraw/zinc/66/31/90/372663190.db2.gz AINQJIOXOCUMLV-UHFFFAOYSA-N 2 1 249.358 0.670 20 0 BCADMP [NH3+]CCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631865343 372666563 /nfs/dbraw/zinc/66/65/63/372666563.db2.gz IMPZUKKQROXSDR-MRVPVSSYSA-N 2 1 208.252 0.691 20 0 BCADMP [NH3+]CCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631865343 372666565 /nfs/dbraw/zinc/66/65/65/372666565.db2.gz IMPZUKKQROXSDR-MRVPVSSYSA-N 2 1 208.252 0.691 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889123 372683728 /nfs/dbraw/zinc/68/37/28/372683728.db2.gz GCAHCJQGOILUMJ-NEPJUHHUSA-N 3 1 227.352 0.036 20 0 BCADMP [NH3+]CCOCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889123 372683733 /nfs/dbraw/zinc/68/37/33/372683733.db2.gz GCAHCJQGOILUMJ-NEPJUHHUSA-N 2 1 227.352 0.036 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890739 372687186 /nfs/dbraw/zinc/68/71/86/372687186.db2.gz SOSOXQACWWPQPL-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890739 372687189 /nfs/dbraw/zinc/68/71/89/372687189.db2.gz SOSOXQACWWPQPL-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726698 182017976 /nfs/dbraw/zinc/01/79/76/182017976.db2.gz PVGSQDHCMWNFJX-QWRGUYRKSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249733168 182017985 /nfs/dbraw/zinc/01/79/85/182017985.db2.gz BXOHPQBETDFVMX-RYUDHWBXSA-N 2 1 237.347 0.435 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222685231 259559060 /nfs/dbraw/zinc/55/90/60/259559060.db2.gz PNOPSKRGRTVZFD-NWDGAFQWSA-N 2 1 230.352 0.579 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245397700 373274013 /nfs/dbraw/zinc/27/40/13/373274013.db2.gz QANWCVKFCBFAKD-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000245397700 373274023 /nfs/dbraw/zinc/27/40/23/373274023.db2.gz QANWCVKFCBFAKD-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCOCCO)CC[N@H+]1C ZINC000180241453 205654582 /nfs/dbraw/zinc/65/45/82/205654582.db2.gz RBOUBLHANVZIKD-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[NH3+])n1 ZINC000414921535 205785120 /nfs/dbraw/zinc/78/51/20/205785120.db2.gz BTSGSCSKPZQHJO-VHSXEESVSA-N 2 1 223.320 0.958 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1C ZINC000634300492 374127280 /nfs/dbraw/zinc/12/72/80/374127280.db2.gz AEGHNSWPHNKBGI-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[N@H+]1C ZINC000634301116 374128944 /nfs/dbraw/zinc/12/89/44/374128944.db2.gz XAYHULNCWHJQRU-GRYCIOLGSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H](C)C[NH3+])CC[N@H+]1C ZINC000634300919 374128986 /nfs/dbraw/zinc/12/89/86/374128986.db2.gz PNTZJUGPAZJPOZ-GHMZBOCLSA-N 2 1 227.352 0.380 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300949 374129212 /nfs/dbraw/zinc/12/92/12/374129212.db2.gz QYOQLTFZHMEJGE-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000634301032 374129641 /nfs/dbraw/zinc/12/96/41/374129641.db2.gz URKKOJFRGJZPFE-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634298133 374101184 /nfs/dbraw/zinc/10/11/84/374101184.db2.gz MFLPLABSPBISQJ-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000037649599 182242559 /nfs/dbraw/zinc/24/25/59/182242559.db2.gz JHPZQRJXYCGVEL-ZYHUDNBSSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251543757 182243104 /nfs/dbraw/zinc/24/31/04/182243104.db2.gz YNBFXLFZBWQIIP-MNOVXSKESA-N 2 1 237.347 0.196 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000309053262 170034514 /nfs/dbraw/zinc/03/45/14/170034514.db2.gz SFKGDEPUQBCWCJ-SRVKXCTJSA-N 2 1 213.369 0.866 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH2+]CC1 ZINC000044726732 182301436 /nfs/dbraw/zinc/30/14/36/182301436.db2.gz XXDVKJTUFHWOOT-LLVKDONJSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000250895025 182301923 /nfs/dbraw/zinc/30/19/23/182301923.db2.gz YICSXTPPLUNQRY-IJLUTSLNSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000446270475 206091843 /nfs/dbraw/zinc/09/18/43/206091843.db2.gz STCNJOBUEJXWHN-SDDRHHMPSA-N 2 1 237.347 0.339 20 0 BCADMP OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413894 183055942 /nfs/dbraw/zinc/05/59/42/183055942.db2.gz IIMGOABYLYBMRS-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413894 183055944 /nfs/dbraw/zinc/05/59/44/183055944.db2.gz IIMGOABYLYBMRS-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413894 183055946 /nfs/dbraw/zinc/05/59/46/183055946.db2.gz IIMGOABYLYBMRS-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360911592 183077789 /nfs/dbraw/zinc/07/77/89/183077789.db2.gz DRXOGGAONBCDEU-IJLUTSLNSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360911592 183077791 /nfs/dbraw/zinc/07/77/91/183077791.db2.gz DRXOGGAONBCDEU-IJLUTSLNSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360911592 183077793 /nfs/dbraw/zinc/07/77/93/183077793.db2.gz DRXOGGAONBCDEU-IJLUTSLNSA-N 2 1 210.321 0.395 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726723 169007752 /nfs/dbraw/zinc/00/77/52/169007752.db2.gz BCSCPJHJYOHSDC-JQWIXIFHSA-N 2 1 239.363 0.857 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C ZINC000359244595 169070625 /nfs/dbraw/zinc/07/06/25/169070625.db2.gz RBFHUESDKOURJA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000359244595 169070627 /nfs/dbraw/zinc/07/06/27/169070627.db2.gz RBFHUESDKOURJA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000359244595 169070628 /nfs/dbraw/zinc/07/06/28/169070628.db2.gz RBFHUESDKOURJA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000358552815 169065092 /nfs/dbraw/zinc/06/50/92/169065092.db2.gz BRTWKFBAQHVLSD-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP O[C@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCCC1 ZINC000343686706 183223177 /nfs/dbraw/zinc/22/31/77/183223177.db2.gz CQSXZOPFDQUKEI-CYBMUJFWSA-N 2 1 240.347 0.379 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130888912 169120566 /nfs/dbraw/zinc/12/05/66/169120566.db2.gz HXSHDZUNMOAIBS-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415288 183252027 /nfs/dbraw/zinc/25/20/27/183252027.db2.gz VCUGZOOXABFCSJ-AGIUHOORSA-N 2 1 240.347 0.354 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956585 134315254 /nfs/dbraw/zinc/31/52/54/134315254.db2.gz IGLGSWNKPHOTIO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956585 134315255 /nfs/dbraw/zinc/31/52/55/134315255.db2.gz IGLGSWNKPHOTIO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[NH+]1CCC([NH2+]CC(=O)N(C)CC)CC1 ZINC000049555376 169188847 /nfs/dbraw/zinc/18/88/47/169188847.db2.gz GRMFWZHTCAXJAF-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220956585 134315256 /nfs/dbraw/zinc/31/52/56/134315256.db2.gz IGLGSWNKPHOTIO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220956585 134315257 /nfs/dbraw/zinc/31/52/57/134315257.db2.gz IGLGSWNKPHOTIO-QJPTWQEYSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000370781635 169193613 /nfs/dbraw/zinc/19/36/13/169193613.db2.gz PUVUKOKMFWELTQ-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@H+](CC3OCCO3)C2)n1 ZINC000272038375 183328042 /nfs/dbraw/zinc/32/80/42/183328042.db2.gz FMKUSJDXJVIVSG-SNVBAGLBSA-N 2 1 237.303 0.962 20 0 BCADMP c1c[nH]c([C@@H]2CCCN(CC3OCCO3)C2)n1 ZINC000272038375 183328044 /nfs/dbraw/zinc/32/80/44/183328044.db2.gz FMKUSJDXJVIVSG-SNVBAGLBSA-N 2 1 237.303 0.962 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C ZINC000236764285 169195264 /nfs/dbraw/zinc/19/52/64/169195264.db2.gz JMFUJCAPKZXPGU-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654312 169198546 /nfs/dbraw/zinc/19/85/46/169198546.db2.gz MASLLOMBTVDVOW-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950057 169200733 /nfs/dbraw/zinc/20/07/33/169200733.db2.gz WKZMQCXPNKMQBO-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122313427 169223061 /nfs/dbraw/zinc/22/30/61/169223061.db2.gz PFPZHDTWRXWVKG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122313427 169223062 /nfs/dbraw/zinc/22/30/62/169223062.db2.gz PFPZHDTWRXWVKG-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127810631 169229683 /nfs/dbraw/zinc/22/96/83/169229683.db2.gz NPKKGTVJUCRDTM-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127810631 169229685 /nfs/dbraw/zinc/22/96/85/169229685.db2.gz NPKKGTVJUCRDTM-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651016 169208957 /nfs/dbraw/zinc/20/89/57/169208957.db2.gz YEBJHPPRVQWTDQ-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225332 169241488 /nfs/dbraw/zinc/24/14/88/169241488.db2.gz LCYWFLFVQHDRKF-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225332 169241489 /nfs/dbraw/zinc/24/14/89/169241489.db2.gz LCYWFLFVQHDRKF-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726824 169392434 /nfs/dbraw/zinc/39/24/34/169392434.db2.gz VIUWAHVYCOLJPD-GXSJLCMTSA-N 2 1 225.336 0.467 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224022804 134344570 /nfs/dbraw/zinc/34/45/70/134344570.db2.gz NELSQUQBGKDPMQ-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000133085566 171081875 /nfs/dbraw/zinc/08/18/75/171081875.db2.gz CHHPPCFPGYWOHV-SNVBAGLBSA-N 2 1 218.366 0.789 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226401531 134365062 /nfs/dbraw/zinc/36/50/62/134365062.db2.gz KAZHJVCJWIASFX-UWVGGRQHSA-N 2 1 245.392 0.229 20 0 BCADMP CSCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226401531 134365063 /nfs/dbraw/zinc/36/50/63/134365063.db2.gz KAZHJVCJWIASFX-UWVGGRQHSA-N 2 1 245.392 0.229 20 0 BCADMP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124605 383841837 /nfs/dbraw/zinc/84/18/37/383841837.db2.gz AAOWLZRTOJKGFQ-LPEHRKFASA-N 2 1 243.376 0.235 20 0 BCADMP CC(C)COCC[N@@H+](C)CCOCC[NH3+] ZINC000301050140 383881022 /nfs/dbraw/zinc/88/10/22/383881022.db2.gz SDOKDCLMJNYERX-UHFFFAOYSA-N 2 1 218.341 0.566 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000049314767 383891772 /nfs/dbraw/zinc/89/17/72/383891772.db2.gz GAURMRGQZPZJNU-NSHDSACASA-N 2 1 208.309 0.554 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000309380057 383892974 /nfs/dbraw/zinc/89/29/74/383892974.db2.gz DDQZIUVCBNHYJA-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP [NH3+]Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000569361809 383904104 /nfs/dbraw/zinc/90/41/04/383904104.db2.gz UHQZNLSBARIOKT-UHFFFAOYSA-N 2 1 222.292 0.870 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH2+]C ZINC000357242873 383991985 /nfs/dbraw/zinc/99/19/85/383991985.db2.gz NLFSPSZVHJZJBM-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000643542290 383958261 /nfs/dbraw/zinc/95/82/61/383958261.db2.gz YRAUPFOTBVKHOO-CHWSQXEVSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295675 383974344 /nfs/dbraw/zinc/97/43/44/383974344.db2.gz DXBRVEGUTKNDRU-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](CCNCc1ncc[nH]1)C1CC1 ZINC000067696280 384016919 /nfs/dbraw/zinc/01/69/19/384016919.db2.gz BRRJMBAAGFVFEG-UHFFFAOYSA-N 2 1 208.309 0.984 20 0 BCADMP CN1CCC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000558467963 384027922 /nfs/dbraw/zinc/02/79/22/384027922.db2.gz DHPSJRVEUFEHCS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000558467963 384027928 /nfs/dbraw/zinc/02/79/28/384027928.db2.gz DHPSJRVEUFEHCS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000517373046 384063837 /nfs/dbraw/zinc/06/38/37/384063837.db2.gz AHWSRIMKWCYFQZ-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000648128660 384071928 /nfs/dbraw/zinc/07/19/28/384071928.db2.gz GZBDPVBFKDMPLX-KCJUWKMLSA-N 2 1 237.303 0.158 20 0 BCADMP CC(C)[N@@H+](CCO)CCCn1ccnc1 ZINC000050103895 384108692 /nfs/dbraw/zinc/10/86/92/384108692.db2.gz QRHXDPQBOPVBDL-UHFFFAOYSA-N 2 1 211.309 0.976 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC(C)(C)CCC[NH3+])CC[N@H+]1C ZINC000648142394 384174390 /nfs/dbraw/zinc/17/43/90/384174390.db2.gz QCTYMYYZSWENCD-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000648138540 384162914 /nfs/dbraw/zinc/16/29/14/384162914.db2.gz KBNHOUGOCKSAHB-SFYZADRCSA-N 2 1 235.278 0.179 20 0 BCADMP COCCNCC[NH2+]Cc1ccncc1C ZINC000304343958 384203829 /nfs/dbraw/zinc/20/38/29/384203829.db2.gz FRPIRLIQXKVIAI-UHFFFAOYSA-N 2 1 223.320 0.716 20 0 BCADMP C[C@@H]([NH2+]CC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400362697 384205340 /nfs/dbraw/zinc/20/53/40/384205340.db2.gz CODVXFFZIROYBJ-ZJUUUORDSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000163258471 384196152 /nfs/dbraw/zinc/19/61/52/384196152.db2.gz QVGFRSGUYSEOSL-DCAQKATOSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000163258471 384196157 /nfs/dbraw/zinc/19/61/57/384196157.db2.gz QVGFRSGUYSEOSL-DCAQKATOSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370768263 384237589 /nfs/dbraw/zinc/23/75/89/384237589.db2.gz YUNIMDLTXLBVKT-GFCCVEGCSA-N 2 1 243.326 0.241 20 0 BCADMP CN(C)c1[nH+]cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000644902448 384243312 /nfs/dbraw/zinc/24/33/12/384243312.db2.gz MVVRSCMLBCSUFS-PHIMTYICSA-N 2 1 249.362 0.137 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000235483415 384249023 /nfs/dbraw/zinc/24/90/23/384249023.db2.gz KKKUIRQKPRMSLH-BBBLOLIVSA-N 2 1 227.352 0.569 20 0 BCADMP CC(C)COCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333679 384268644 /nfs/dbraw/zinc/26/86/44/384268644.db2.gz ADHVAHDJMIFANZ-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)COCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313333679 384268649 /nfs/dbraw/zinc/26/86/49/384268649.db2.gz ADHVAHDJMIFANZ-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCc2cn[nH]c2)CCCO1 ZINC000313377014 384307129 /nfs/dbraw/zinc/30/71/29/384307129.db2.gz FCXGRWJGDITYSO-LLVKDONJSA-N 2 1 224.308 0.002 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCCO1 ZINC000313377014 384307133 /nfs/dbraw/zinc/30/71/33/384307133.db2.gz FCXGRWJGDITYSO-LLVKDONJSA-N 2 1 224.308 0.002 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401933846 384313672 /nfs/dbraw/zinc/31/36/72/384313672.db2.gz YXFGIMFCJZDVAQ-GXSJLCMTSA-N 2 1 209.293 0.959 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000237548284 384279817 /nfs/dbraw/zinc/27/98/17/384279817.db2.gz NBWWPAZRYQPODY-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC)C1 ZINC000173894862 384282383 /nfs/dbraw/zinc/28/23/83/384282383.db2.gz XGLOMYQLXVPRIO-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOC)C1 ZINC000173894862 384282385 /nfs/dbraw/zinc/28/23/85/384282385.db2.gz XGLOMYQLXVPRIO-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC)C1 ZINC000173894862 384282388 /nfs/dbraw/zinc/28/23/88/384282388.db2.gz XGLOMYQLXVPRIO-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP C[C@@H](C[NH2+]Cc1ccnn1C)C[NH+](C)C ZINC000291660631 384296959 /nfs/dbraw/zinc/29/69/59/384296959.db2.gz FAOFSOJXRTXBLL-JTQLQIEISA-N 2 1 210.325 0.707 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCO1 ZINC000300358908 384357800 /nfs/dbraw/zinc/35/78/00/384357800.db2.gz LVOJOZDFIRHKRP-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000135074814 384411235 /nfs/dbraw/zinc/41/12/35/384411235.db2.gz KDHJJDXICLPTGG-GWOFURMSSA-N 2 1 200.326 0.686 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C)O2)C[C@H]1C[NH3+] ZINC000405540237 384411534 /nfs/dbraw/zinc/41/15/34/384411534.db2.gz RISUBHXXPKXTLS-UMSGYPCISA-N 2 1 242.363 0.850 20 0 BCADMP c1cnc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000403044769 384421849 /nfs/dbraw/zinc/42/18/49/384421849.db2.gz GTBDDVNVALCLOA-PHIMTYICSA-N 2 1 218.304 0.170 20 0 BCADMP c1cnc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000403044769 384421853 /nfs/dbraw/zinc/42/18/53/384421853.db2.gz GTBDDVNVALCLOA-PHIMTYICSA-N 2 1 218.304 0.170 20 0 BCADMP CNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397340155 384384409 /nfs/dbraw/zinc/38/44/09/384384409.db2.gz VKHSZLDUTJHWAQ-GUBZILKMSA-N 2 1 213.325 0.038 20 0 BCADMP CNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397340155 384384414 /nfs/dbraw/zinc/38/44/14/384384414.db2.gz VKHSZLDUTJHWAQ-GUBZILKMSA-N 2 1 213.325 0.038 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000248862946 384388008 /nfs/dbraw/zinc/38/80/08/384388008.db2.gz MOWZMTUENHNZKD-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648145869 384448196 /nfs/dbraw/zinc/44/81/96/384448196.db2.gz RYIJWUMOILWDBM-KXUCPTDWSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082645452 384439085 /nfs/dbraw/zinc/43/90/85/384439085.db2.gz XYBLZQQHYSDWIU-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000249027684 384463289 /nfs/dbraw/zinc/46/32/89/384463289.db2.gz LREFDHZQOFQHFJ-RCWTZXSCSA-N 2 1 239.363 0.711 20 0 BCADMP C([C@@H]1CCSC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000224617521 384473123 /nfs/dbraw/zinc/47/31/23/384473123.db2.gz CCFGJHWGJNKRNF-GARJFASQSA-N 2 1 212.362 0.891 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CC1 ZINC000122310968 384474592 /nfs/dbraw/zinc/47/45/92/384474592.db2.gz HEMZREOWDOYXAC-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1CC1 ZINC000122310968 384474598 /nfs/dbraw/zinc/47/45/98/384474598.db2.gz HEMZREOWDOYXAC-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000249066467 384475781 /nfs/dbraw/zinc/47/57/81/384475781.db2.gz PVVVFTPTJWVCBN-WOPDTQHZSA-N 2 1 241.379 0.770 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000249066463 384476593 /nfs/dbraw/zinc/47/65/93/384476593.db2.gz PVVVFTPTJWVCBN-UTUOFQBUSA-N 2 1 241.379 0.770 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000569595766 384486188 /nfs/dbraw/zinc/48/61/88/384486188.db2.gz UXUHOSPDLBXANO-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000648176998 384516818 /nfs/dbraw/zinc/51/68/18/384516818.db2.gz XBAVWHOPPHTHKO-JLLWLGSASA-N 2 1 239.363 0.522 20 0 BCADMP C(C[C@@H]1CCOC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602318 384521267 /nfs/dbraw/zinc/52/12/67/384521267.db2.gz TWXJQQOYPMJJSN-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000236649293 384542698 /nfs/dbraw/zinc/54/26/98/384542698.db2.gz FKOSJRFNOXSUKC-SECBINFHSA-N 2 1 201.314 0.038 20 0 BCADMP Cc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000306113286 384573837 /nfs/dbraw/zinc/57/38/37/384573837.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 1 248.334 0.801 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124167 384580057 /nfs/dbraw/zinc/58/00/57/384580057.db2.gz UJHLXTSLQCIDNS-NDBYEHHHSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC000566124167 384580062 /nfs/dbraw/zinc/58/00/62/384580062.db2.gz UJHLXTSLQCIDNS-NDBYEHHHSA-N 2 1 224.348 0.830 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647538209 384666511 /nfs/dbraw/zinc/66/65/11/384666511.db2.gz JCSDBFATADXDGK-NEPJUHHUSA-N 2 1 235.335 0.525 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538500 384668198 /nfs/dbraw/zinc/66/81/98/384668198.db2.gz VNUKFGKOJBGBLN-VXGBXAGGSA-N 2 1 235.335 0.525 20 0 BCADMP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000086435339 384651371 /nfs/dbraw/zinc/65/13/71/384651371.db2.gz JKAVYVDIMHCCBX-AOOOYVTPSA-N 2 1 202.298 0.071 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000045135560 384662391 /nfs/dbraw/zinc/66/23/91/384662391.db2.gz BQSUHTRVJOCXCL-NSHDSACASA-N 2 1 241.379 0.818 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545772 384725641 /nfs/dbraw/zinc/72/56/41/384725641.db2.gz PUBKILNSYWAKNS-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP C[N@@H+](CCCCO)CC1CC[NH2+]CC1 ZINC000086702961 384678734 /nfs/dbraw/zinc/67/87/34/384678734.db2.gz QPTDCKONKVYUET-UHFFFAOYSA-N 2 1 200.326 0.690 20 0 BCADMP CCOCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702716 384680098 /nfs/dbraw/zinc/68/00/98/384680098.db2.gz YIFWZAJLIFGVGK-UHFFFAOYSA-N 2 1 200.326 0.954 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000086884309 384711690 /nfs/dbraw/zinc/71/16/90/384711690.db2.gz LUFQCEQHBSMZDK-ONGXEEELSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000086884309 384711694 /nfs/dbraw/zinc/71/16/94/384711694.db2.gz LUFQCEQHBSMZDK-ONGXEEELSA-N 2 1 208.309 0.589 20 0 BCADMP CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546141 384730565 /nfs/dbraw/zinc/73/05/65/384730565.db2.gz AMGFQMPPXOODSY-YVECIDJPSA-N 2 1 225.380 0.947 20 0 BCADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546229 384731142 /nfs/dbraw/zinc/73/11/42/384731142.db2.gz GBMZLJAFTWPZSD-XQHKEYJVSA-N 3 1 223.364 0.701 20 0 BCADMP N[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546822 384732783 /nfs/dbraw/zinc/73/27/83/384732783.db2.gz CTHGXLDBIANFRU-YVECIDJPSA-N 2 1 223.364 0.701 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647546785 384732944 /nfs/dbraw/zinc/73/29/44/384732944.db2.gz BEDZUIQJUJYMJX-GRYCIOLGSA-N 2 1 223.364 0.846 20 0 BCADMP C1C[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000647546792 384733858 /nfs/dbraw/zinc/73/38/58/384733858.db2.gz BMVSODYCIXCVSY-QCNOEVLYSA-N 2 1 209.337 0.326 20 0 BCADMP CCCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546972 384734395 /nfs/dbraw/zinc/73/43/95/384734395.db2.gz IPRGBBRYBXFALX-JHJVBQTASA-N 2 1 225.380 0.964 20 0 BCADMP CC[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547166 384736674 /nfs/dbraw/zinc/73/66/74/384736674.db2.gz PNNCVWSJFODZFI-NOOOWODRSA-N 2 1 211.353 0.701 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156236 384749647 /nfs/dbraw/zinc/74/96/47/384749647.db2.gz KRSBHHPZMUYQFU-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H](CO)[C@H]2CCCOC2)C1 ZINC000647551718 384752613 /nfs/dbraw/zinc/75/26/13/384752613.db2.gz FIUPMURVXOUUJL-RVMXOQNASA-N 2 1 242.363 0.362 20 0 BCADMP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nn1C ZINC000647552296 384757242 /nfs/dbraw/zinc/75/72/42/384757242.db2.gz PMMPTVSWNOQJDV-RKDXNWHRSA-N 2 1 210.325 0.944 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335060334 384791387 /nfs/dbraw/zinc/79/13/87/384791387.db2.gz GDYZGQFFKMJZJX-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP O=C1OCC[C@@]12CCC[N@H+]2CCn1ccnc1 ZINC000186681014 384870250 /nfs/dbraw/zinc/87/02/50/384870250.db2.gz IOODHUFSGNKXQJ-LBPRGKRZSA-N 2 1 235.287 0.665 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370785954 384859559 /nfs/dbraw/zinc/85/95/59/384859559.db2.gz GYXQOJUKGHBONQ-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP COc1ccc(C[NH2+]C[C@@H]2CNCCN2C)cc1 ZINC000258934983 384952681 /nfs/dbraw/zinc/95/26/81/384952681.db2.gz OYLIDUQNKHNUFZ-ZDUSSCGKSA-N 2 1 249.358 0.688 20 0 BCADMP COc1ccc(C[NH2+]C[C@H]2CNCCN2C)cc1 ZINC000258934979 384953236 /nfs/dbraw/zinc/95/32/36/384953236.db2.gz OYLIDUQNKHNUFZ-CYBMUJFWSA-N 2 1 249.358 0.688 20 0 BCADMP COC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000119010267 384958160 /nfs/dbraw/zinc/95/81/60/384958160.db2.gz BYBIMLPKPMFBFA-GFCCVEGCSA-N 2 1 230.352 0.456 20 0 BCADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000083825850 384902353 /nfs/dbraw/zinc/90/23/53/384902353.db2.gz UMACXFDMVHHELO-RYUDHWBXSA-N 2 1 203.289 0.733 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000557466888 384959144 /nfs/dbraw/zinc/95/91/44/384959144.db2.gz BIWIICGPPHSUMI-WDEREUQCSA-N 2 1 227.352 0.252 20 0 BCADMP C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000310238937 384923583 /nfs/dbraw/zinc/92/35/83/384923583.db2.gz IFKPBPXEHCAUQX-LLVKDONJSA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000310238937 384923591 /nfs/dbraw/zinc/92/35/91/384923591.db2.gz IFKPBPXEHCAUQX-LLVKDONJSA-N 2 1 242.294 0.456 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)O ZINC000644525336 384935920 /nfs/dbraw/zinc/93/59/20/384935920.db2.gz QIOHWYNSXMKKAB-NXEZZACHSA-N 2 1 211.309 0.798 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258884555 384945657 /nfs/dbraw/zinc/94/56/57/384945657.db2.gz USJPFFFPWOYMMN-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423529765 385021341 /nfs/dbraw/zinc/02/13/41/385021341.db2.gz YDXCNLYOLUYRHG-FRRDWIJNSA-N 2 1 225.380 0.914 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)O ZINC000644573827 384975097 /nfs/dbraw/zinc/97/50/97/384975097.db2.gz XXAIQPCLXHXSHF-SNVBAGLBSA-N 2 1 211.309 0.942 20 0 BCADMP CCOC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000565775442 384980587 /nfs/dbraw/zinc/98/05/87/384980587.db2.gz SYTOZADCVMCXMK-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccns1 ZINC000404437629 384988781 /nfs/dbraw/zinc/98/87/81/384988781.db2.gz HOYBGMMDKVFQGP-UHFFFAOYSA-N 2 1 240.376 0.480 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccns1 ZINC000404437629 384988786 /nfs/dbraw/zinc/98/87/86/384988786.db2.gz HOYBGMMDKVFQGP-UHFFFAOYSA-N 2 1 240.376 0.480 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](C)[NH3+] ZINC000156916241 385022357 /nfs/dbraw/zinc/02/23/57/385022357.db2.gz VZARLHDVIPQDNU-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226398821 385006608 /nfs/dbraw/zinc/00/66/08/385006608.db2.gz ZGOLJVGELNXKHG-GXFFZTMASA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](CNC(=O)C1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000226398465 385007488 /nfs/dbraw/zinc/00/74/88/385007488.db2.gz FNEAFFQNOFWTIA-SNVBAGLBSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[N@@H+](C)C1CC1 ZINC000226399249 385007513 /nfs/dbraw/zinc/00/75/13/385007513.db2.gz ORXXPUXECONJMZ-GXSJLCMTSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[N@@H+](C)C1CC1 ZINC000226398877 385007838 /nfs/dbraw/zinc/00/78/38/385007838.db2.gz IAOMCVWFVBYGKY-VIFPVBQESA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394890 385009327 /nfs/dbraw/zinc/00/93/27/385009327.db2.gz AUGYUSCLOPLOFF-JQWIXIFHSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423529763 385019838 /nfs/dbraw/zinc/01/98/38/385019838.db2.gz YDXCNLYOLUYRHG-AGIUHOORSA-N 2 1 225.380 0.914 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404758702 385052515 /nfs/dbraw/zinc/05/25/15/385052515.db2.gz AZSLQOBWEXZTDR-GARJFASQSA-N 2 1 241.379 0.863 20 0 BCADMP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000646917149 385059049 /nfs/dbraw/zinc/05/90/49/385059049.db2.gz YLYFLQNXPHPMIS-DCAQKATOSA-N 2 1 225.336 0.099 20 0 BCADMP CCC1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000308747705 385062143 /nfs/dbraw/zinc/06/21/43/385062143.db2.gz SGXFWQZHXSYJAR-ILDUYXDCSA-N 2 1 200.326 0.687 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC000449118896 385062685 /nfs/dbraw/zinc/06/26/85/385062685.db2.gz ZWWDUXAILSSDPU-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000646937796 385068958 /nfs/dbraw/zinc/06/89/58/385068958.db2.gz SSPBDLUECQIRPY-QJPTWQEYSA-N 2 1 239.363 0.489 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931629 385081374 /nfs/dbraw/zinc/08/13/74/385081374.db2.gz JVKNFRXJFDQDJP-QJPTWQEYSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931632 385081843 /nfs/dbraw/zinc/08/18/43/385081843.db2.gz JVKNFRXJFDQDJP-UTUOFQBUSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@H+]1C ZINC000156296578 385030835 /nfs/dbraw/zinc/03/08/35/385030835.db2.gz JVTARRACACTBAJ-ZJUUUORDSA-N 2 1 200.326 0.830 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406169 385045376 /nfs/dbraw/zinc/04/53/76/385045376.db2.gz OFRCXLWAZYWEHF-CHWSQXEVSA-N 2 1 234.347 0.733 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406169 385045381 /nfs/dbraw/zinc/04/53/81/385045381.db2.gz OFRCXLWAZYWEHF-CHWSQXEVSA-N 2 1 234.347 0.733 20 0 BCADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1[NH3+] ZINC000647009789 385135436 /nfs/dbraw/zinc/13/54/36/385135436.db2.gz IYRRTQRTTOUAAZ-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313012000 385138088 /nfs/dbraw/zinc/13/80/88/385138088.db2.gz ARAGFBGUMUPADO-NWDGAFQWSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000313012000 385138097 /nfs/dbraw/zinc/13/80/97/385138097.db2.gz ARAGFBGUMUPADO-NWDGAFQWSA-N 2 1 242.363 0.456 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404923965 385182895 /nfs/dbraw/zinc/18/28/95/385182895.db2.gz YZRGEGGEELFQFY-BDAKNGLRSA-N 2 1 213.325 0.228 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246385320 385162754 /nfs/dbraw/zinc/16/27/54/385162754.db2.gz BNWBCLOOZVWAIW-WOPDTQHZSA-N 2 1 239.363 0.665 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634688596 385206459 /nfs/dbraw/zinc/20/64/59/385206459.db2.gz XGLXFTKYGJSREZ-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634688596 385206466 /nfs/dbraw/zinc/20/64/66/385206466.db2.gz XGLXFTKYGJSREZ-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP COC1(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319976577 385210385 /nfs/dbraw/zinc/21/03/85/385210385.db2.gz XCIRHJMYHZIVNT-RYUDHWBXSA-N 2 1 242.363 0.994 20 0 BCADMP COC1(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319976577 385210392 /nfs/dbraw/zinc/21/03/92/385210392.db2.gz XCIRHJMYHZIVNT-RYUDHWBXSA-N 2 1 242.363 0.994 20 0 BCADMP COC1(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319976578 385210725 /nfs/dbraw/zinc/21/07/25/385210725.db2.gz XCIRHJMYHZIVNT-VXGBXAGGSA-N 2 1 242.363 0.994 20 0 BCADMP COC1(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319976578 385210727 /nfs/dbraw/zinc/21/07/27/385210727.db2.gz XCIRHJMYHZIVNT-VXGBXAGGSA-N 2 1 242.363 0.994 20 0 BCADMP Nc1cc(C[NH+]2CCC([NH3+])CC2)ccn1 ZINC000238585231 385256689 /nfs/dbraw/zinc/25/66/89/385256689.db2.gz VDSVYOSNYCNYOP-UHFFFAOYSA-N 2 1 206.293 0.587 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246747294 385227327 /nfs/dbraw/zinc/22/73/27/385227327.db2.gz ZMLYDHBTEYQVGX-DCAQKATOSA-N 2 1 227.352 0.665 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000238554009 385231652 /nfs/dbraw/zinc/23/16/52/385231652.db2.gz AFUDBZBULFXAQL-JTQLQIEISA-N 2 1 208.309 0.971 20 0 BCADMP C[C@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000108356771 385233284 /nfs/dbraw/zinc/23/32/84/385233284.db2.gz NUVGIMCXALLFRY-NSHDSACASA-N 2 1 211.353 0.622 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246919051 385255121 /nfs/dbraw/zinc/25/51/21/385255121.db2.gz MOBNGBUJBDDESE-SDDRHHMPSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000308965152 385315817 /nfs/dbraw/zinc/31/58/17/385315817.db2.gz UYKFYRWOCVEBEN-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@@H+]1C[C@H]2CCN(CCn3ccnc3)[C@@H]2C1 ZINC000644732157 385277569 /nfs/dbraw/zinc/27/75/69/385277569.db2.gz HKAXVWRIXZJULG-VXGBXAGGSA-N 2 1 220.320 0.519 20 0 BCADMP C[N@H+]1C[C@H]2CCN(CCn3ccnc3)[C@@H]2C1 ZINC000644732157 385277576 /nfs/dbraw/zinc/27/75/76/385277576.db2.gz HKAXVWRIXZJULG-VXGBXAGGSA-N 2 1 220.320 0.519 20 0 BCADMP CC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178512818 385293089 /nfs/dbraw/zinc/29/30/89/385293089.db2.gz QWEUZROERBYIPV-JQWIXIFHSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000130979401 385300165 /nfs/dbraw/zinc/30/01/65/385300165.db2.gz BKWOIULJLSIDFI-NEPJUHHUSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000164989866 385333332 /nfs/dbraw/zinc/33/33/32/385333332.db2.gz HRFNAELRMPNEAW-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[C@H](C)[NH3+] ZINC000165055296 385340446 /nfs/dbraw/zinc/34/04/46/385340446.db2.gz DWKBEMISORJQTD-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405231441 385389182 /nfs/dbraw/zinc/38/91/82/385389182.db2.gz AZZAPETUMHYVHN-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP COCCCC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000397461372 385356424 /nfs/dbraw/zinc/35/64/24/385356424.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP COCCCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000397461372 385356436 /nfs/dbraw/zinc/35/64/36/385356436.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP COCCCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397461372 385356440 /nfs/dbraw/zinc/35/64/40/385356440.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309040629 385376881 /nfs/dbraw/zinc/37/68/81/385376881.db2.gz KZYKSHFBPYXIFQ-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@H+]1C ZINC000309098293 385407030 /nfs/dbraw/zinc/40/70/30/385407030.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 2 1 211.353 0.764 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)/C=C\C[NH+](C)C ZINC000492648291 385412889 /nfs/dbraw/zinc/41/28/89/385412889.db2.gz NWDHDJUFNMADCQ-WAYWQWQTSA-N 2 1 239.363 0.657 20 0 BCADMP CO[C@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377410 385443988 /nfs/dbraw/zinc/44/39/88/385443988.db2.gz WIOBOVKOYYHALU-CYBMUJFWSA-N 2 1 243.395 0.591 20 0 BCADMP CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405283361 385453099 /nfs/dbraw/zinc/45/30/99/385453099.db2.gz CVHBBFJJOACPOZ-AEJSXWLSSA-N 2 1 227.352 0.617 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309210011 385479437 /nfs/dbraw/zinc/47/94/37/385479437.db2.gz NQDJZCGKVCEOMT-MNOVXSKESA-N 2 1 223.324 0.208 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000257656432 385486321 /nfs/dbraw/zinc/48/63/21/385486321.db2.gz CKKANVLPXNFTAC-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000257732336 385488810 /nfs/dbraw/zinc/48/88/10/385488810.db2.gz VETYJVMDNIEOIV-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000257708759 385490579 /nfs/dbraw/zinc/49/05/79/385490579.db2.gz QCQLKXRBGPWSME-NXEZZACHSA-N 2 1 213.325 0.039 20 0 BCADMP COC(CN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000309258185 385501318 /nfs/dbraw/zinc/50/13/18/385501318.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000309258185 385501322 /nfs/dbraw/zinc/50/13/22/385501322.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000309258185 385501325 /nfs/dbraw/zinc/50/13/25/385501325.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000309258185 385501329 /nfs/dbraw/zinc/50/13/29/385501329.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 2 1 228.336 0.633 20 0 BCADMP COC(CN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000309258182 385502123 /nfs/dbraw/zinc/50/21/23/385502123.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000309258182 385502129 /nfs/dbraw/zinc/50/21/29/385502129.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000309258182 385502134 /nfs/dbraw/zinc/50/21/34/385502134.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP COC(C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000309258182 385502138 /nfs/dbraw/zinc/50/21/38/385502138.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 2 1 228.336 0.633 20 0 BCADMP Cn1cncc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405345270 385506939 /nfs/dbraw/zinc/50/69/39/385506939.db2.gz GCIGPYCNESWPSX-UWVGGRQHSA-N 2 1 208.309 0.636 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC[NH2+]CC2)C1 ZINC000257701291 385489161 /nfs/dbraw/zinc/48/91/61/385489161.db2.gz ODRYIYUOQFVUKB-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000336734578 385581815 /nfs/dbraw/zinc/58/18/15/385581815.db2.gz NIWLNNBLPKQHLY-NWDGAFQWSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000336734578 385581818 /nfs/dbraw/zinc/58/18/18/385581818.db2.gz NIWLNNBLPKQHLY-NWDGAFQWSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000309456000 385588175 /nfs/dbraw/zinc/58/81/75/385588175.db2.gz NPXLWGQOYRKUJH-QWRGUYRKSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000082645583 385627345 /nfs/dbraw/zinc/62/73/45/385627345.db2.gz LUKYMOKOWANSEV-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000082645583 385627351 /nfs/dbraw/zinc/62/73/51/385627351.db2.gz LUKYMOKOWANSEV-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644820553 385608555 /nfs/dbraw/zinc/60/85/55/385608555.db2.gz XPIXCAWIOGATKP-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000644820553 385608556 /nfs/dbraw/zinc/60/85/56/385608556.db2.gz XPIXCAWIOGATKP-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000644820553 385608558 /nfs/dbraw/zinc/60/85/58/385608558.db2.gz XPIXCAWIOGATKP-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309486506 385612936 /nfs/dbraw/zinc/61/29/36/385612936.db2.gz VQEZVHCJNTXHHD-NWDGAFQWSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309486506 385612942 /nfs/dbraw/zinc/61/29/42/385612942.db2.gz VQEZVHCJNTXHHD-NWDGAFQWSA-N 2 1 230.352 0.314 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000337437050 385660733 /nfs/dbraw/zinc/66/07/33/385660733.db2.gz BKJLZSIHYAIEGA-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000337437050 385660736 /nfs/dbraw/zinc/66/07/36/385660736.db2.gz BKJLZSIHYAIEGA-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP [NH3+]CC1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000414853279 385686132 /nfs/dbraw/zinc/68/61/32/385686132.db2.gz XIFJGGXBJQWPJT-MCIGGMRASA-N 2 1 211.353 0.846 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOC)[C@@H](C)C1 ZINC000221709968 385688587 /nfs/dbraw/zinc/68/85/87/385688587.db2.gz HMFIFEJCTXNYAI-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000647793423 385700103 /nfs/dbraw/zinc/70/01/03/385700103.db2.gz XMZCBKBORAQWPU-UMSGYPCISA-N 2 1 242.363 0.362 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414851780 385667397 /nfs/dbraw/zinc/66/73/97/385667397.db2.gz PQVPHMXUQRAQMT-SDDRHHMPSA-N 3 1 213.369 0.962 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414862050 385749385 /nfs/dbraw/zinc/74/93/85/385749385.db2.gz ULOOIOMAFOZNNQ-UHFFFAOYSA-N 2 1 225.292 0.500 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)CC[N@H+]1C ZINC000336724646 385751480 /nfs/dbraw/zinc/75/14/80/385751480.db2.gz USGLFFNXSZESFI-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH2+]C1CC1 ZINC000647799460 385799816 /nfs/dbraw/zinc/79/98/16/385799816.db2.gz HKZZVGDUEFPEEK-NQBHXWOUSA-N 3 1 223.364 0.716 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)CCCCCO)C1CC1 ZINC000336716228 385813547 /nfs/dbraw/zinc/81/35/47/385813547.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH+](CCCCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336716228 385813561 /nfs/dbraw/zinc/81/35/61/385813561.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP C[NH+](CCCCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336716228 385813566 /nfs/dbraw/zinc/81/35/66/385813566.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000262038534 385835552 /nfs/dbraw/zinc/83/55/52/385835552.db2.gz FXIWKRDHASXYIP-JTQLQIEISA-N 2 1 233.315 0.718 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647806865 385849385 /nfs/dbraw/zinc/84/93/85/385849385.db2.gz AJCZNPZWSUTRNU-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000262514595 385851896 /nfs/dbraw/zinc/85/18/96/385851896.db2.gz FSRZXSOURPSSNK-CMPLNLGQSA-N 2 1 235.331 0.753 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CC[NH2+][C@H](C)C1 ZINC000647842580 385890864 /nfs/dbraw/zinc/89/08/64/385890864.db2.gz XGBYBNJDUCFDLJ-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849525 385900856 /nfs/dbraw/zinc/90/08/56/385900856.db2.gz WXNDEZGGXKYFRA-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849525 385900860 /nfs/dbraw/zinc/90/08/60/385900860.db2.gz WXNDEZGGXKYFRA-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H](C[NH2+]Cc1cncn1C)C[NH+](C)C ZINC000291724107 385911216 /nfs/dbraw/zinc/91/12/16/385911216.db2.gz MZHAKXNSVQYEOI-JTQLQIEISA-N 2 1 210.325 0.707 20 0 BCADMP CCCNCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414877484 385920757 /nfs/dbraw/zinc/92/07/57/385920757.db2.gz XPNPMZHHKPJGQG-RYUDHWBXSA-N 2 1 213.369 0.964 20 0 BCADMP CCC[NH2+]CCNC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414877484 385920765 /nfs/dbraw/zinc/92/07/65/385920765.db2.gz XPNPMZHHKPJGQG-RYUDHWBXSA-N 2 1 213.369 0.964 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647811038 385862307 /nfs/dbraw/zinc/86/23/07/385862307.db2.gz MFMDQXOBOMKTFZ-IVZWLZJFSA-N 2 1 213.325 0.132 20 0 BCADMP [NH3+]CCOCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815156 385868342 /nfs/dbraw/zinc/86/83/42/385868342.db2.gz RJXJRQWTEZVZSV-UHFFFAOYSA-N 3 1 227.352 0.178 20 0 BCADMP [NH3+]CCOCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815156 385868348 /nfs/dbraw/zinc/86/83/48/385868348.db2.gz RJXJRQWTEZVZSV-UHFFFAOYSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647829612 385877894 /nfs/dbraw/zinc/87/78/94/385877894.db2.gz DFMHRMAFZKGDDZ-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829669 385878911 /nfs/dbraw/zinc/87/89/11/385878911.db2.gz KNGQIDRSXUURNM-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP COC(=O)c1coc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000414873713 385879173 /nfs/dbraw/zinc/87/91/73/385879173.db2.gz HTDPIUJRZFDCPB-MRVPVSSYSA-N 2 1 226.276 0.751 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000638136486 385879211 /nfs/dbraw/zinc/87/92/11/385879211.db2.gz ZAAMHXHESUZDNB-JLLWLGSASA-N 2 1 249.358 0.775 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000338363935 385986788 /nfs/dbraw/zinc/98/67/88/385986788.db2.gz SDKMXQFEHFVAQI-CYBMUJFWSA-N 2 1 241.379 0.916 20 0 BCADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH3+])o1 ZINC000414881202 385987694 /nfs/dbraw/zinc/98/76/94/385987694.db2.gz SCAINTGUVGKPCL-MRVPVSSYSA-N 2 1 226.276 0.751 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000338272780 385940402 /nfs/dbraw/zinc/94/04/02/385940402.db2.gz UNRHWIFEWOVOOU-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417448773 385952974 /nfs/dbraw/zinc/95/29/74/385952974.db2.gz WIVHTUPQAMZBAY-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331793697 385970692 /nfs/dbraw/zinc/97/06/92/385970692.db2.gz SVPCYYXETLIQCY-SECBINFHSA-N 2 1 240.351 0.260 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000128279148 385970680 /nfs/dbraw/zinc/97/06/80/385970680.db2.gz QYEHHQLOQSTPFQ-SKDRFNHKSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000128279148 385970685 /nfs/dbraw/zinc/97/06/85/385970685.db2.gz QYEHHQLOQSTPFQ-SKDRFNHKSA-N 2 1 222.336 0.898 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865883 386000502 /nfs/dbraw/zinc/00/05/02/386000502.db2.gz WKQPLVWQHMUOMR-RWMBFGLXSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865883 386000506 /nfs/dbraw/zinc/00/05/06/386000506.db2.gz WKQPLVWQHMUOMR-RWMBFGLXSA-N 3 1 241.379 0.424 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414113834 386008503 /nfs/dbraw/zinc/00/85/03/386008503.db2.gz LABFYJXBMJPRBN-KXNHARMFSA-N 2 1 214.353 0.933 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C[C@@H]1C ZINC000414113709 386008918 /nfs/dbraw/zinc/00/89/18/386008918.db2.gz LABFYJXBMJPRBN-BJDJZHNGSA-N 2 1 214.353 0.933 20 0 BCADMP CC[C@]1(C(=O)N2CCC[N@@H+](C)CC2)CCC[NH2+]1 ZINC000128742799 386009098 /nfs/dbraw/zinc/00/90/98/386009098.db2.gz IYALYRZKTHYQJM-CYBMUJFWSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336752443 386016793 /nfs/dbraw/zinc/01/67/93/386016793.db2.gz GWINDRADFMBPPB-UTUOFQBUSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336752443 386016796 /nfs/dbraw/zinc/01/67/96/386016796.db2.gz GWINDRADFMBPPB-UTUOFQBUSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@]1(O)CCC[N@@H+](CCn2ccnc2)C1 ZINC000124303795 386018623 /nfs/dbraw/zinc/01/86/23/386018623.db2.gz ICNNTZNGYXGQAH-NSHDSACASA-N 2 1 209.293 0.730 20 0 BCADMP CC[N@@H+](C)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000338479010 386018750 /nfs/dbraw/zinc/01/87/50/386018750.db2.gz MXBVZUKTMMNQDX-LLVKDONJSA-N 2 1 244.383 0.578 20 0 BCADMP COC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH3+])o1 ZINC000414883146 386019981 /nfs/dbraw/zinc/01/99/81/386019981.db2.gz MUTXNIKDDSTVCZ-QMMMGPOBSA-N 2 1 226.276 0.893 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000335060381 386024092 /nfs/dbraw/zinc/02/40/92/386024092.db2.gz HCQFHIALNGYEPK-YPMHNXCESA-N 2 1 237.347 0.291 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCCC[NH3+])C(C)C ZINC000417464381 386025385 /nfs/dbraw/zinc/02/53/85/386025385.db2.gz QPDMQHDVQGXUHK-UHFFFAOYSA-N 2 1 244.383 0.755 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417465231 386030649 /nfs/dbraw/zinc/03/06/49/386030649.db2.gz RVGBCOAWWNKWBS-NSHDSACASA-N 2 1 242.367 0.378 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000054128914 386110632 /nfs/dbraw/zinc/11/06/32/386110632.db2.gz CCGYFMDFJOGKEA-UHFFFAOYSA-N 2 1 227.352 0.573 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000647968913 386111309 /nfs/dbraw/zinc/11/13/09/386111309.db2.gz BBZUDZKCCQPSNU-RYUDHWBXSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000647968913 386111315 /nfs/dbraw/zinc/11/13/15/386111315.db2.gz BBZUDZKCCQPSNU-RYUDHWBXSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000647968913 386111319 /nfs/dbraw/zinc/11/13/19/386111319.db2.gz BBZUDZKCCQPSNU-RYUDHWBXSA-N 2 1 246.395 0.638 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000647968912 386111546 /nfs/dbraw/zinc/11/15/46/386111546.db2.gz BBZUDZKCCQPSNU-NWDGAFQWSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000647968912 386111550 /nfs/dbraw/zinc/11/15/50/386111550.db2.gz BBZUDZKCCQPSNU-NWDGAFQWSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000647968912 386111553 /nfs/dbraw/zinc/11/15/53/386111553.db2.gz BBZUDZKCCQPSNU-NWDGAFQWSA-N 2 1 246.395 0.638 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414667450 386114008 /nfs/dbraw/zinc/11/40/08/386114008.db2.gz HJNXDOKASDHYMI-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414667450 386114016 /nfs/dbraw/zinc/11/40/16/386114016.db2.gz HJNXDOKASDHYMI-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000647769961 386119777 /nfs/dbraw/zinc/11/97/77/386119777.db2.gz QEVWNNAZDMZEGB-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649192 386059507 /nfs/dbraw/zinc/05/95/07/386059507.db2.gz CBKXUSIWLUIGHG-SDDRHHMPSA-N 3 1 211.353 0.668 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649192 386059513 /nfs/dbraw/zinc/05/95/13/386059513.db2.gz CBKXUSIWLUIGHG-SDDRHHMPSA-N 3 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@H]2C)CC[NH2+]1 ZINC000414652796 386075341 /nfs/dbraw/zinc/07/53/41/386075341.db2.gz HJNXDOKASDHYMI-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000414652796 386075347 /nfs/dbraw/zinc/07/53/47/386075347.db2.gz HJNXDOKASDHYMI-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404404 386077549 /nfs/dbraw/zinc/07/75/49/386077549.db2.gz PQETYIFGGAUISK-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCN[C@@H](C)C2)CC[NH2+]1 ZINC000414663481 386099019 /nfs/dbraw/zinc/09/90/19/386099019.db2.gz SEYJFWKIFNNAFW-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414663481 386099026 /nfs/dbraw/zinc/09/90/26/386099026.db2.gz SEYJFWKIFNNAFW-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000414892230 386151305 /nfs/dbraw/zinc/15/13/05/386151305.db2.gz XNOSWGLRIXBXBD-STQMWFEESA-N 2 1 240.395 0.012 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677055 386152788 /nfs/dbraw/zinc/15/27/88/386152788.db2.gz VVKXOVFAGWCGGU-QWRGUYRKSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677055 386152795 /nfs/dbraw/zinc/15/27/95/386152795.db2.gz VVKXOVFAGWCGGU-QWRGUYRKSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677797 386158328 /nfs/dbraw/zinc/15/83/28/386158328.db2.gz JTFVWQXOFBKMNZ-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@]1(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000414993210 386167346 /nfs/dbraw/zinc/16/73/46/386167346.db2.gz CGJQVYHPTYOMMR-QWRGUYRKSA-N 3 1 247.333 0.820 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681954 386167412 /nfs/dbraw/zinc/16/74/12/386167412.db2.gz QELOQRSUYHVZFS-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000346152215 386167850 /nfs/dbraw/zinc/16/78/50/386167850.db2.gz ZVCTUNRWOBHIAZ-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000346152214 386168726 /nfs/dbraw/zinc/16/87/26/386168726.db2.gz ZVCTUNRWOBHIAZ-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693957 386190729 /nfs/dbraw/zinc/19/07/29/386190729.db2.gz SEYJFWKIFNNAFW-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[C@@H](CN2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414693957 386190736 /nfs/dbraw/zinc/19/07/36/386190736.db2.gz SEYJFWKIFNNAFW-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000346157637 386171770 /nfs/dbraw/zinc/17/17/70/386171770.db2.gz TYUUJOKULKUQEE-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879499 386174272 /nfs/dbraw/zinc/17/42/72/386174272.db2.gz BGYNTVGAOPYYPK-ZYHUDNBSSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879499 386174280 /nfs/dbraw/zinc/17/42/80/386174280.db2.gz BGYNTVGAOPYYPK-ZYHUDNBSSA-N 2 1 237.347 0.339 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000310333529 386175021 /nfs/dbraw/zinc/17/50/21/386175021.db2.gz MERHNJSEQVZSKD-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690774 386184772 /nfs/dbraw/zinc/18/47/72/386184772.db2.gz NSUQSTWIHRODOZ-TUAOUCFPSA-N 2 1 212.337 0.831 20 0 BCADMP Cc1noc(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000647879833 386186272 /nfs/dbraw/zinc/18/62/72/386186272.db2.gz HNOSXEAMESYEHO-UHFFFAOYSA-N 2 1 227.308 0.699 20 0 BCADMP Cc1noc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000647879833 386186273 /nfs/dbraw/zinc/18/62/73/386186273.db2.gz HNOSXEAMESYEHO-UHFFFAOYSA-N 2 1 227.308 0.699 20 0 BCADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393458181 386129831 /nfs/dbraw/zinc/12/98/31/386129831.db2.gz FRKAQTZRFUGHEK-IRCOFANPSA-N 2 1 210.321 0.726 20 0 BCADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCO[C@@H]12 ZINC000414891759 386142379 /nfs/dbraw/zinc/14/23/79/386142379.db2.gz WYLODCWLDMEPTI-KKOKHZNYSA-N 2 1 222.332 0.896 20 0 BCADMP CC[N@@H+](CCNC(=O)NC(C)(C)C[NH3+])C1CC1 ZINC000417487720 386143096 /nfs/dbraw/zinc/14/30/96/386143096.db2.gz OBRNXRBTSSUBBL-UHFFFAOYSA-N 2 1 242.367 0.507 20 0 BCADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC000414891760 386143621 /nfs/dbraw/zinc/14/36/21/386143621.db2.gz WYLODCWLDMEPTI-KXNHARMFSA-N 2 1 222.332 0.896 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414699501 386203114 /nfs/dbraw/zinc/20/31/14/386203114.db2.gz IKRLFIWETGZQSQ-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702318 386208156 /nfs/dbraw/zinc/20/81/56/386208156.db2.gz IHEPNAJIEUVLJO-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702315 386208760 /nfs/dbraw/zinc/20/87/60/386208760.db2.gz IHEPNAJIEUVLJO-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1nn(C)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898488 386230160 /nfs/dbraw/zinc/23/01/60/386230160.db2.gz AMNQQCBGUHUQSF-GFCCVEGCSA-N 2 1 222.336 0.960 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882930 386233844 /nfs/dbraw/zinc/23/38/44/386233844.db2.gz PZMRLLBTCIYKRA-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882930 386233847 /nfs/dbraw/zinc/23/38/47/386233847.db2.gz PZMRLLBTCIYKRA-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP COCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347117785 386235378 /nfs/dbraw/zinc/23/53/78/386235378.db2.gz UWDVBMFCPNFKKW-LLVKDONJSA-N 2 1 238.335 0.310 20 0 BCADMP COCCn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347117785 386235384 /nfs/dbraw/zinc/23/53/84/386235384.db2.gz UWDVBMFCPNFKKW-LLVKDONJSA-N 2 1 238.335 0.310 20 0 BCADMP C[C@@H](CNC(N)=[NH2+])[N@@H+]1CCc2ccccc2C1 ZINC000263987305 386200231 /nfs/dbraw/zinc/20/02/31/386200231.db2.gz UKZIYENHPQCEEE-JTQLQIEISA-N 2 1 232.331 0.916 20 0 BCADMP C[C@@H](CNC(N)=[NH2+])[N@H+]1CCc2ccccc2C1 ZINC000263987305 386200235 /nfs/dbraw/zinc/20/02/35/386200235.db2.gz UKZIYENHPQCEEE-JTQLQIEISA-N 2 1 232.331 0.916 20 0 BCADMP C[C@@H](CC[NH3+])[NH2+]Cc1c(Cl)cnn1C ZINC000414901145 386299222 /nfs/dbraw/zinc/29/92/22/386299222.db2.gz WWGXFIVYRJIDRX-ZETCQYMHSA-N 2 1 216.716 0.900 20 0 BCADMP Cc1nnc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988411 386303794 /nfs/dbraw/zinc/30/37/94/386303794.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 1 249.362 0.902 20 0 BCADMP CO[C@@H](C[NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000289494742 386317392 /nfs/dbraw/zinc/31/73/92/386317392.db2.gz AIKWWCXWIJRYPC-VIFPVBQESA-N 2 1 238.291 0.060 20 0 BCADMP C[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336671419 386319678 /nfs/dbraw/zinc/31/96/78/386319678.db2.gz KBIOGNCIAWRGCK-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336653901 386271263 /nfs/dbraw/zinc/27/12/63/386271263.db2.gz ZFFOLNLSCSBVLX-LLVKDONJSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746204 386343089 /nfs/dbraw/zinc/34/30/89/386343089.db2.gz RUTQQCRPDHRZJG-IJLUTSLNSA-N 2 1 224.348 0.831 20 0 BCADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888060 386345272 /nfs/dbraw/zinc/34/52/72/386345272.db2.gz GNJPLDMKAVLXPD-DTWKUNHWSA-N 2 1 238.253 0.595 20 0 BCADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647888060 386345275 /nfs/dbraw/zinc/34/52/75/386345275.db2.gz GNJPLDMKAVLXPD-DTWKUNHWSA-N 2 1 238.253 0.595 20 0 BCADMP C[N@H+](CCc1cnccn1)C[C@H]1CC[NH2+]C1 ZINC000647989995 386386407 /nfs/dbraw/zinc/38/64/07/386386407.db2.gz MYUHPLNJAJJAQD-NSHDSACASA-N 2 1 220.320 0.560 20 0 BCADMP C[N@@H+](CCc1cnccn1)C[C@H]1CC[NH2+]C1 ZINC000647989995 386386412 /nfs/dbraw/zinc/38/64/12/386386412.db2.gz MYUHPLNJAJJAQD-NSHDSACASA-N 2 1 220.320 0.560 20 0 BCADMP C(C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414904094 386353208 /nfs/dbraw/zinc/35/32/08/386353208.db2.gz LCGCEBOTRLIBFE-VXGBXAGGSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@H](CNC(=O)NCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000417553479 386358445 /nfs/dbraw/zinc/35/84/45/386358445.db2.gz UHDJQRRPUZWOGO-SECBINFHSA-N 2 1 242.367 0.506 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890092 386368203 /nfs/dbraw/zinc/36/82/03/386368203.db2.gz PJYUTMWPUIFELU-WDEREUQCSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417556165 386379839 /nfs/dbraw/zinc/37/98/39/386379839.db2.gz ZXYODESCDDWLOO-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](C)O ZINC000336684158 386329585 /nfs/dbraw/zinc/32/95/85/386329585.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000336684158 386329590 /nfs/dbraw/zinc/32/95/90/386329590.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000336684158 386329593 /nfs/dbraw/zinc/32/95/93/386329593.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 2 1 244.379 0.533 20 0 BCADMP COCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414742998 386332113 /nfs/dbraw/zinc/33/21/13/386332113.db2.gz GUOSIPNSVBUAAF-STQMWFEESA-N 2 1 244.379 0.705 20 0 BCADMP CC(C)[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647989067 386334516 /nfs/dbraw/zinc/33/45/16/386334516.db2.gz DFVHRAKVGXXLFH-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000647989067 386334522 /nfs/dbraw/zinc/33/45/22/386334522.db2.gz DFVHRAKVGXXLFH-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275705 386334841 /nfs/dbraw/zinc/33/48/41/386334841.db2.gz CUHODPOUFLMUKJ-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](N)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275705 386334846 /nfs/dbraw/zinc/33/48/46/386334846.db2.gz CUHODPOUFLMUKJ-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H](N)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275705 386334852 /nfs/dbraw/zinc/33/48/52/386334852.db2.gz CUHODPOUFLMUKJ-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399189057 386443284 /nfs/dbraw/zinc/44/32/84/386443284.db2.gz XRZYLRFSJSFANP-UHFFFAOYSA-N 2 1 213.325 0.052 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]([NH3+])CC ZINC000417612714 386451023 /nfs/dbraw/zinc/45/10/23/386451023.db2.gz RPRNFYQBDZUMPR-LLVKDONJSA-N 2 1 244.383 0.755 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCCC[NH+](C)C ZINC000166087974 386395209 /nfs/dbraw/zinc/39/52/09/386395209.db2.gz MUAZWAJHSFOMFR-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP COCCC[N@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414758965 386408820 /nfs/dbraw/zinc/40/88/20/386408820.db2.gz VVOPGFCTUIVRQS-LBPRGKRZSA-N 2 1 232.368 0.691 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414758965 386408823 /nfs/dbraw/zinc/40/88/23/386408823.db2.gz VVOPGFCTUIVRQS-LBPRGKRZSA-N 2 1 232.368 0.691 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399142830 386420126 /nfs/dbraw/zinc/42/01/26/386420126.db2.gz CCFJTZHCSRQOSK-JTQLQIEISA-N 2 1 225.336 0.054 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427868 386421218 /nfs/dbraw/zinc/42/12/18/386421218.db2.gz YXTFQVFSAARTHJ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427868 386421223 /nfs/dbraw/zinc/42/12/23/386421223.db2.gz YXTFQVFSAARTHJ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427868 386421229 /nfs/dbraw/zinc/42/12/29/386421229.db2.gz YXTFQVFSAARTHJ-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]1C ZINC000414761984 386422813 /nfs/dbraw/zinc/42/28/13/386422813.db2.gz VEHRTEGNMJMTSK-DTWKUNHWSA-N 2 1 200.282 0.219 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000347471797 386432294 /nfs/dbraw/zinc/43/22/94/386432294.db2.gz HRFNAELRMPNEAW-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000299569259 386467909 /nfs/dbraw/zinc/46/79/09/386467909.db2.gz TYPWTGDRTDZLPE-WDEREUQCSA-N 2 1 236.319 0.482 20 0 BCADMP C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN1C ZINC000299569259 386467915 /nfs/dbraw/zinc/46/79/15/386467915.db2.gz TYPWTGDRTDZLPE-WDEREUQCSA-N 2 1 236.319 0.482 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417276326 386468076 /nfs/dbraw/zinc/46/80/76/386468076.db2.gz DOLXLPBYFCKDPS-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006058 386468120 /nfs/dbraw/zinc/46/81/20/386468120.db2.gz HFQWTYUXEVUUAH-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH2+]CC1 ZINC000366412917 386469711 /nfs/dbraw/zinc/46/97/11/386469711.db2.gz FWQWRUVPFIOEQC-VXGBXAGGSA-N 2 1 237.347 0.293 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417286447 386474967 /nfs/dbraw/zinc/47/49/67/386474967.db2.gz MXKDHLFRMPPUHX-MNOVXSKESA-N 2 1 242.367 0.235 20 0 BCADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000417634498 386479241 /nfs/dbraw/zinc/47/92/41/386479241.db2.gz ZAOMSXHSWQJGMO-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931335 386487281 /nfs/dbraw/zinc/48/72/81/386487281.db2.gz FDUJCXWJAFJGMI-SNVBAGLBSA-N 2 1 213.325 0.180 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335432887 386491071 /nfs/dbraw/zinc/49/10/71/386491071.db2.gz FEQXBBBEZXQELS-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044302 386529381 /nfs/dbraw/zinc/52/93/81/386529381.db2.gz BQDDCNFQNPWJDF-JQWIXIFHSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH2+]CCSCCCO)[C@@H]1CCC[NH2+]1 ZINC000400427597 386497289 /nfs/dbraw/zinc/49/72/89/386497289.db2.gz ZLVBYHPYPZQQQU-QWRGUYRKSA-N 2 1 232.393 0.832 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780517 386497588 /nfs/dbraw/zinc/49/75/88/386497588.db2.gz BMFWWIWAWCXROC-RVMXOQNASA-N 3 1 223.364 0.668 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780517 386497593 /nfs/dbraw/zinc/49/75/93/386497593.db2.gz BMFWWIWAWCXROC-RVMXOQNASA-N 3 1 223.364 0.668 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323213 386499194 /nfs/dbraw/zinc/49/91/94/386499194.db2.gz GHJVKUICCXTAJF-MNOVXSKESA-N 2 1 242.367 0.365 20 0 BCADMP COCC[C@H]1COCC[N@H+]1CCn1ccnc1 ZINC000291254758 386530051 /nfs/dbraw/zinc/53/00/51/386530051.db2.gz OEIGWMRNPNNWQH-LBPRGKRZSA-N 2 1 239.319 0.620 20 0 BCADMP COCC[C@H]1COCCN1CCn1ccnc1 ZINC000291254758 386530058 /nfs/dbraw/zinc/53/00/58/386530058.db2.gz OEIGWMRNPNNWQH-LBPRGKRZSA-N 2 1 239.319 0.620 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380590 386455871 /nfs/dbraw/zinc/45/58/71/386455871.db2.gz ARFQBLDTNXMOJA-GHMZBOCLSA-N 2 1 245.367 0.054 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000059931502 386462599 /nfs/dbraw/zinc/46/25/99/386462599.db2.gz AFNYHQPSFOAKRU-CYBMUJFWSA-N 2 1 247.342 0.897 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+](C)C1CC1 ZINC000417625043 386462638 /nfs/dbraw/zinc/46/26/38/386462638.db2.gz LKSZYUCVSDKPSQ-SNVBAGLBSA-N 2 1 242.367 0.507 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417625829 386462782 /nfs/dbraw/zinc/46/27/82/386462782.db2.gz MZCADUYFAWKPLH-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772744 386463401 /nfs/dbraw/zinc/46/34/01/386463401.db2.gz VKISRBBJUYFLNM-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP C([C@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772744 386463405 /nfs/dbraw/zinc/46/34/05/386463405.db2.gz VKISRBBJUYFLNM-MELADBBJSA-N 2 1 237.391 0.917 20 0 BCADMP C[N@@H+](CCNC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000059931400 386463717 /nfs/dbraw/zinc/46/37/17/386463717.db2.gz CQRGECUYINPWBG-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978232 386576799 /nfs/dbraw/zinc/57/67/99/386576799.db2.gz OUOJOJLATIXLEK-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978233 386578458 /nfs/dbraw/zinc/57/84/58/386578458.db2.gz OUOJOJLATIXLEK-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418728 386587497 /nfs/dbraw/zinc/58/74/97/386587497.db2.gz SXFJPEHXIUBHDT-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000300359270 386590940 /nfs/dbraw/zinc/59/09/40/386590940.db2.gz IIQVLAGHDAFYGW-AXFHLTTASA-N 2 1 225.336 0.195 20 0 BCADMP c1cnc(N[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995346 386539455 /nfs/dbraw/zinc/53/94/55/386539455.db2.gz QNBLHRWVDPQJLK-RYUDHWBXSA-N 2 1 247.346 0.572 20 0 BCADMP c1cnc(N[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995346 386539458 /nfs/dbraw/zinc/53/94/58/386539458.db2.gz QNBLHRWVDPQJLK-RYUDHWBXSA-N 2 1 247.346 0.572 20 0 BCADMP C[C@H](CC1CCOCC1)C[N@H+](CC[NH3+])CCO ZINC000414918417 386539988 /nfs/dbraw/zinc/53/99/88/386539988.db2.gz YPIZEOYOXSXRKP-GFCCVEGCSA-N 2 1 244.379 0.692 20 0 BCADMP C[C@H](CC1CCOCC1)C[N@@H+](CC[NH3+])CCO ZINC000414918417 386539995 /nfs/dbraw/zinc/53/99/95/386539995.db2.gz YPIZEOYOXSXRKP-GFCCVEGCSA-N 2 1 244.379 0.692 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000262631489 386540281 /nfs/dbraw/zinc/54/02/81/386540281.db2.gz FKNVQCUKBXYISZ-OUAUKWLOSA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415058332 386541553 /nfs/dbraw/zinc/54/15/53/386541553.db2.gz VLMKRLAVQUIGKP-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415058332 386541560 /nfs/dbraw/zinc/54/15/60/386541560.db2.gz VLMKRLAVQUIGKP-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP c1cn([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647995206 386544280 /nfs/dbraw/zinc/54/42/80/386544280.db2.gz FMLHHKZPTUHFEU-NEPJUHHUSA-N 2 1 235.335 0.525 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335405884 386564454 /nfs/dbraw/zinc/56/44/54/386564454.db2.gz JKFPRTNMMRCHQN-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116898 386569057 /nfs/dbraw/zinc/56/90/57/386569057.db2.gz ZAWTUAAKZSTYLZ-SNVBAGLBSA-N 2 1 213.325 0.052 20 0 BCADMP Cn1nnc2cc(C[NH2+][C@@H](C[NH3+])C3CC3)ccc21 ZINC000414795320 386572093 /nfs/dbraw/zinc/57/20/93/386572093.db2.gz GPIWOAROPSNBHN-LBPRGKRZSA-N 2 1 245.330 0.795 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1CC1CC[NH2+]CC1 ZINC000415104314 386622899 /nfs/dbraw/zinc/62/28/99/386622899.db2.gz KSGSNVNHEFKSES-STQMWFEESA-N 2 1 242.363 0.722 20 0 BCADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000644932531 386629437 /nfs/dbraw/zinc/62/94/37/386629437.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 2 1 224.348 0.905 20 0 BCADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CC1 ZINC000644932531 386629438 /nfs/dbraw/zinc/62/94/38/386629438.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 2 1 224.348 0.905 20 0 BCADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CC1 ZINC000644932531 386629439 /nfs/dbraw/zinc/62/94/39/386629439.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 2 1 224.348 0.905 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121451 386631592 /nfs/dbraw/zinc/63/15/92/386631592.db2.gz HJDMLURBAQDOKQ-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121451 386631598 /nfs/dbraw/zinc/63/15/98/386631598.db2.gz HJDMLURBAQDOKQ-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP CO[C@@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336646665 386639922 /nfs/dbraw/zinc/63/99/22/386639922.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336646665 386639924 /nfs/dbraw/zinc/63/99/24/386639924.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CO[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336646663 386639968 /nfs/dbraw/zinc/63/99/68/386639968.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 1 228.336 0.162 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336646663 386639972 /nfs/dbraw/zinc/63/99/72/386639972.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 1 228.336 0.162 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000428105205 386641520 /nfs/dbraw/zinc/64/15/20/386641520.db2.gz WQVFOZPUSXHMQR-WXRRBKDZSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)OC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000428105205 386641525 /nfs/dbraw/zinc/64/15/25/386641525.db2.gz WQVFOZPUSXHMQR-WXRRBKDZSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)(C)[NH2+]CC[NH2+]CCCN1CC[NH2+]CC1 ZINC000414803298 386599383 /nfs/dbraw/zinc/59/93/83/386599383.db2.gz WLGFJJLLTLACGQ-UHFFFAOYSA-N 2 1 242.411 0.259 20 0 BCADMP COC[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000415109308 386617160 /nfs/dbraw/zinc/61/71/60/386617160.db2.gz RASCREYYSJMBQV-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979537 386666323 /nfs/dbraw/zinc/66/63/23/386666323.db2.gz JLCOERWEGWSWPI-RWMBFGLXSA-N 2 1 223.364 0.527 20 0 BCADMP C([C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979537 386666327 /nfs/dbraw/zinc/66/63/27/386666327.db2.gz JLCOERWEGWSWPI-RWMBFGLXSA-N 2 1 223.364 0.527 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1=O ZINC000647954449 386682517 /nfs/dbraw/zinc/68/25/17/386682517.db2.gz HMQVYFHTTUETTN-CYBMUJFWSA-N 2 1 235.331 0.556 20 0 BCADMP CN(C(=O)C1(C)C[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000335483608 386711257 /nfs/dbraw/zinc/71/12/57/386711257.db2.gz OVUKLYGUDCNBRT-NSHDSACASA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907742 386696855 /nfs/dbraw/zinc/69/68/55/386696855.db2.gz NYCYNNIHSJQHON-QNWHQSFQSA-N 3 1 223.364 0.655 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH3+] ZINC000335475326 386699301 /nfs/dbraw/zinc/69/93/01/386699301.db2.gz KDUUSPZEGOZLBE-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH3+] ZINC000335475326 386699307 /nfs/dbraw/zinc/69/93/07/386699307.db2.gz KDUUSPZEGOZLBE-NXEZZACHSA-N 2 1 213.325 0.132 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000335480300 386706707 /nfs/dbraw/zinc/70/67/07/386706707.db2.gz YGHDNZJBOSBQEL-SNVBAGLBSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000335480300 386706710 /nfs/dbraw/zinc/70/67/10/386706710.db2.gz YGHDNZJBOSBQEL-SNVBAGLBSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000335480298 386708091 /nfs/dbraw/zinc/70/80/91/386708091.db2.gz YGHDNZJBOSBQEL-JTQLQIEISA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000335480298 386708099 /nfs/dbraw/zinc/70/80/99/386708099.db2.gz YGHDNZJBOSBQEL-JTQLQIEISA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)n[nH]c1C ZINC000414838545 386735412 /nfs/dbraw/zinc/73/54/12/386735412.db2.gz LGVLESSSQNVORY-QMMMGPOBSA-N 2 1 210.325 0.972 20 0 BCADMP CC(C)CO[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357100445 386717957 /nfs/dbraw/zinc/71/79/57/386717957.db2.gz FTAIDRZEKZTPJY-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP c1cnn(CC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335540732 386720339 /nfs/dbraw/zinc/72/03/39/386720339.db2.gz UZQFSLKFTHRCOX-UHFFFAOYSA-N 2 1 220.320 0.711 20 0 BCADMP CC[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000414928782 386724804 /nfs/dbraw/zinc/72/48/04/386724804.db2.gz MXHBCBJWVGUIMI-UWVGGRQHSA-N 2 1 235.322 0.900 20 0 BCADMP CC[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000414928782 386724809 /nfs/dbraw/zinc/72/48/09/386724809.db2.gz MXHBCBJWVGUIMI-UWVGGRQHSA-N 2 1 235.322 0.900 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044752131 386726154 /nfs/dbraw/zinc/72/61/54/386726154.db2.gz DGXKQWNVBIFJGM-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254084 386748055 /nfs/dbraw/zinc/74/80/55/386748055.db2.gz YQTHLZPKDBWYJU-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414842040 386749171 /nfs/dbraw/zinc/74/91/71/386749171.db2.gz OSSLPOQBMOSACT-NWDGAFQWSA-N 3 1 211.353 0.718 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[NH2+]C)C(C)C ZINC000357236995 386744318 /nfs/dbraw/zinc/74/43/18/386744318.db2.gz DRPJBCPOVRPWDE-UHFFFAOYSA-N 2 1 215.341 0.442 20 0 BCADMP C[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1C[NH3+] ZINC000417835707 386793148 /nfs/dbraw/zinc/79/31/48/386793148.db2.gz KYVLIQDAQQLWNM-BBBLOLIVSA-N 2 1 243.376 0.092 20 0 BCADMP C[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417835710 386793481 /nfs/dbraw/zinc/79/34/81/386793481.db2.gz KYVLIQDAQQLWNM-LPEHRKFASA-N 2 1 243.376 0.092 20 0 BCADMP C[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417835709 386793809 /nfs/dbraw/zinc/79/38/09/386793809.db2.gz KYVLIQDAQQLWNM-KXUCPTDWSA-N 2 1 243.376 0.092 20 0 BCADMP CN(C)c1cc(NC(=O)C(C)(C)[NH3+])cc[nH+]1 ZINC000269277827 386771354 /nfs/dbraw/zinc/77/13/54/386771354.db2.gz YGSQBOWNHRAVOG-UHFFFAOYSA-N 2 1 222.292 0.823 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000417854422 386802062 /nfs/dbraw/zinc/80/20/62/386802062.db2.gz JWSFPNGCBJQTNN-GUBZILKMSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000417854421 386803082 /nfs/dbraw/zinc/80/30/82/386803082.db2.gz JWSFPNGCBJQTNN-AEJSXWLSSA-N 2 1 240.351 0.258 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000417857005 386805712 /nfs/dbraw/zinc/80/57/12/386805712.db2.gz NOEKMZYIMGUQQZ-VHSXEESVSA-N 2 1 240.351 0.130 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@H+]1C ZINC000417997360 386806647 /nfs/dbraw/zinc/80/66/47/386806647.db2.gz FTOXZAYBIPPEPS-ONGXEEELSA-N 2 1 240.351 0.082 20 0 BCADMP C[C@@H](C[C@H]1CCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935403 386813735 /nfs/dbraw/zinc/81/37/35/386813735.db2.gz VOONZCCWOWPUCP-DTWKUNHWSA-N 2 1 221.295 0.701 20 0 BCADMP Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)cc[nH+]1 ZINC000357685458 386827850 /nfs/dbraw/zinc/82/78/50/386827850.db2.gz DSYLHMMBLPIFRL-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)cc[nH+]1 ZINC000357685458 386827851 /nfs/dbraw/zinc/82/78/51/386827851.db2.gz DSYLHMMBLPIFRL-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP c1ncn2c1CN(C[C@@H]1CCOC1)CC2 ZINC000647939336 386841570 /nfs/dbraw/zinc/84/15/70/386841570.db2.gz KHPDOLGEIFICDW-JTQLQIEISA-N 2 1 207.277 0.735 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125410404 386841789 /nfs/dbraw/zinc/84/17/89/386841789.db2.gz YNJSSODKUHQUQQ-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367283062 386848941 /nfs/dbraw/zinc/84/89/41/386848941.db2.gz RHEUXCIZJPDFND-SECBINFHSA-N 2 1 249.305 0.392 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367283062 386848944 /nfs/dbraw/zinc/84/89/44/386848944.db2.gz RHEUXCIZJPDFND-SECBINFHSA-N 2 1 249.305 0.392 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331409966 386851819 /nfs/dbraw/zinc/85/18/19/386851819.db2.gz BWURPFWAVOFQRB-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000166356548 386854327 /nfs/dbraw/zinc/85/43/27/386854327.db2.gz YZZKUITVBIXDHA-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418005061 386855657 /nfs/dbraw/zinc/85/56/57/386855657.db2.gz OYYAFTFSVZBKEY-DCAQKATOSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336744575 386868190 /nfs/dbraw/zinc/86/81/90/386868190.db2.gz QGCNOMIIBLSEFB-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP CO[C@@H]1CCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000300043101 386872674 /nfs/dbraw/zinc/87/26/74/386872674.db2.gz USNMBECRVDPUMK-MRVPVSSYSA-N 2 1 240.307 0.484 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331746177 386890652 /nfs/dbraw/zinc/89/06/52/386890652.db2.gz DBYOWNLCCYCFLU-LPEHRKFASA-N 2 1 240.351 0.258 20 0 BCADMP C[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302240573 386919144 /nfs/dbraw/zinc/91/91/44/386919144.db2.gz XLEXASUQAUJNPC-UHFFFAOYSA-N 2 1 234.303 0.687 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418011572 386898233 /nfs/dbraw/zinc/89/82/33/386898233.db2.gz XADZEOQSPWNBHA-NAKRPEOUSA-N 2 1 242.367 0.504 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852869 386903020 /nfs/dbraw/zinc/90/30/20/386903020.db2.gz BKJNDGJXJNLGIV-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP Cc1nccn1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334853550 386904951 /nfs/dbraw/zinc/90/49/51/386904951.db2.gz XNVPNDZLQZUNPL-NSHDSACASA-N 2 1 221.304 0.648 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CCC[N@H+]1C ZINC000418013790 386921501 /nfs/dbraw/zinc/92/15/01/386921501.db2.gz ZQPVRIPNUXOEKC-OUAUKWLOSA-N 2 1 240.351 0.130 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000358257767 386921875 /nfs/dbraw/zinc/92/18/75/386921875.db2.gz SJUDUDAIVGXOPA-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000358257767 386921880 /nfs/dbraw/zinc/92/18/80/386921880.db2.gz SJUDUDAIVGXOPA-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCOC1 ZINC000358257772 386922133 /nfs/dbraw/zinc/92/21/33/386922133.db2.gz SJUDUDAIVGXOPA-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000358257772 386922138 /nfs/dbraw/zinc/92/21/38/386922138.db2.gz SJUDUDAIVGXOPA-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000367976959 386923920 /nfs/dbraw/zinc/92/39/20/386923920.db2.gz NZLDJEMJJAIYNG-DTWKUNHWSA-N 2 1 249.305 0.331 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368003971 386929110 /nfs/dbraw/zinc/92/91/10/386929110.db2.gz ATXZZIPTQPUCFU-VIFPVBQESA-N 2 1 249.305 0.394 20 0 BCADMP Cn1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000368221954 386953646 /nfs/dbraw/zinc/95/36/46/386953646.db2.gz JWEMYIFMPAGPGH-SECBINFHSA-N 2 1 231.303 0.790 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC000341826327 386969046 /nfs/dbraw/zinc/96/90/46/386969046.db2.gz RZSDEJLIWSQCGW-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399005912 387036049 /nfs/dbraw/zinc/03/60/49/387036049.db2.gz YBHJFGPEEJUSSM-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399005911 387036182 /nfs/dbraw/zinc/03/61/82/387036182.db2.gz YBHJFGPEEJUSSM-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404702 387038404 /nfs/dbraw/zinc/03/84/04/387038404.db2.gz OZVYQKFGUOCYKL-FIQHERPVSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417404702 387038407 /nfs/dbraw/zinc/03/84/07/387038407.db2.gz OZVYQKFGUOCYKL-FIQHERPVSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334959133 387038760 /nfs/dbraw/zinc/03/87/60/387038760.db2.gz RQFFTOLTWOAFFH-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000334959126 387039595 /nfs/dbraw/zinc/03/95/95/387039595.db2.gz RQFFTOLTWOAFFH-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074182 387042752 /nfs/dbraw/zinc/04/27/52/387042752.db2.gz LFYSRASCGPPNEX-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCOCC1 ZINC000336764106 387044834 /nfs/dbraw/zinc/04/48/34/387044834.db2.gz PYDDFLKXVOHMJA-QWRGUYRKSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCOCC1 ZINC000336764107 387044876 /nfs/dbraw/zinc/04/48/76/387044876.db2.gz PYDDFLKXVOHMJA-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648107886 387050003 /nfs/dbraw/zinc/05/00/03/387050003.db2.gz ZDCBBJUAIJLDGW-OPRDCNLKSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368806468 387012962 /nfs/dbraw/zinc/01/29/62/387012962.db2.gz NZPVEXIRFFKWPM-ZYHUDNBSSA-N 2 1 225.336 0.054 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000519165899 387024699 /nfs/dbraw/zinc/02/46/99/387024699.db2.gz IAOJOXKQWMIUQB-LOWDOPEQSA-N 3 1 241.379 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000519165899 387024702 /nfs/dbraw/zinc/02/47/02/387024702.db2.gz IAOJOXKQWMIUQB-LOWDOPEQSA-N 2 1 241.379 0.016 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000111380504 387077435 /nfs/dbraw/zinc/07/74/35/387077435.db2.gz ZOZGGHDFRHCYHN-GFCCVEGCSA-N 2 1 239.363 0.812 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000111380504 387077438 /nfs/dbraw/zinc/07/74/38/387077438.db2.gz ZOZGGHDFRHCYHN-GFCCVEGCSA-N 2 1 239.363 0.812 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695736 387085789 /nfs/dbraw/zinc/08/57/89/387085789.db2.gz DFTSYTVSUOEJQY-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000111695736 387085791 /nfs/dbraw/zinc/08/57/91/387085791.db2.gz DFTSYTVSUOEJQY-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)C[NH3+])C1CC1 ZINC000417434088 387098363 /nfs/dbraw/zinc/09/83/63/387098363.db2.gz WRBRIWQHXRQOTC-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071377518 387103063 /nfs/dbraw/zinc/10/30/63/387103063.db2.gz VNNOVGLLTQRPDB-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000071378603 387103134 /nfs/dbraw/zinc/10/31/34/387103134.db2.gz YLRDMICILQVRAD-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645666136 387112795 /nfs/dbraw/zinc/11/27/95/387112795.db2.gz MDVIOSRTPFSTFW-ZJUUUORDSA-N 2 1 225.336 0.052 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334950555 387114295 /nfs/dbraw/zinc/11/42/95/387114295.db2.gz IFAOGZWYIOLGKR-GXSJLCMTSA-N 2 1 246.330 0.067 20 0 BCADMP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000127454431 387118834 /nfs/dbraw/zinc/11/88/34/387118834.db2.gz GAKNGDSDSCIIMV-SECBINFHSA-N 2 1 246.314 0.630 20 0 BCADMP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000127454431 387118838 /nfs/dbraw/zinc/11/88/38/387118838.db2.gz GAKNGDSDSCIIMV-SECBINFHSA-N 2 1 246.314 0.630 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC000336766739 387121006 /nfs/dbraw/zinc/12/10/06/387121006.db2.gz SJJHWGSTVGWPCR-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC000336766739 387121011 /nfs/dbraw/zinc/12/10/11/387121011.db2.gz SJJHWGSTVGWPCR-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000335030717 387125340 /nfs/dbraw/zinc/12/53/40/387125340.db2.gz PMRUEIDRIJRCAD-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000353210340 387157890 /nfs/dbraw/zinc/15/78/90/387157890.db2.gz YYWOWFMCYVZENB-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761613 387162973 /nfs/dbraw/zinc/16/29/73/387162973.db2.gz SDSRFCAXZUHWHY-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327436 387169845 /nfs/dbraw/zinc/16/98/45/387169845.db2.gz RODRJMHAULVXKR-ICCXJUOJSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423327436 387169850 /nfs/dbraw/zinc/16/98/50/387169850.db2.gz RODRJMHAULVXKR-ICCXJUOJSA-N 2 1 223.364 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423329023 387173676 /nfs/dbraw/zinc/17/36/76/387173676.db2.gz BCQNVWLGXVSHRZ-SCZZXKLOSA-N 2 1 233.306 0.653 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423329023 387173682 /nfs/dbraw/zinc/17/36/82/387173682.db2.gz BCQNVWLGXVSHRZ-SCZZXKLOSA-N 2 1 233.306 0.653 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261911 387184028 /nfs/dbraw/zinc/18/40/28/387184028.db2.gz FNTMVNVSWPHLPU-QJPTWQEYSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCO ZINC000371295805 387186161 /nfs/dbraw/zinc/18/61/61/387186161.db2.gz VEHGALUOJVWTFZ-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337258 387186275 /nfs/dbraw/zinc/18/62/75/387186275.db2.gz UBNQBNVVMDTZEC-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000571879959 387191758 /nfs/dbraw/zinc/19/17/58/387191758.db2.gz DUJSTDNMMIMELF-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[C@H](C[NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423300383 387133431 /nfs/dbraw/zinc/13/34/31/387133431.db2.gz RLSRYZSQRMEVCA-SCVCMEIPSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423300383 387133436 /nfs/dbraw/zinc/13/34/36/387133436.db2.gz RLSRYZSQRMEVCA-SCVCMEIPSA-N 2 1 211.353 0.654 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986234 387137436 /nfs/dbraw/zinc/13/74/36/387137436.db2.gz JLRNASZCEPXMEN-NEPJUHHUSA-N 2 1 241.379 0.819 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986234 387137438 /nfs/dbraw/zinc/13/74/38/387137438.db2.gz JLRNASZCEPXMEN-NEPJUHHUSA-N 2 1 241.379 0.819 20 0 BCADMP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370740798 387138037 /nfs/dbraw/zinc/13/80/37/387138037.db2.gz OZUMAQZMCKMOHU-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]C[C@H]1CCCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000643494839 387138289 /nfs/dbraw/zinc/13/82/89/387138289.db2.gz OQVNVLJWVYIVCK-QJPTWQEYSA-N 2 1 239.363 0.633 20 0 BCADMP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370740799 387138401 /nfs/dbraw/zinc/13/84/01/387138401.db2.gz OZUMAQZMCKMOHU-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300409844 387205482 /nfs/dbraw/zinc/20/54/82/387205482.db2.gz BZBKUXGHTDSPSR-FVCCEPFGSA-N 2 1 244.379 0.702 20 0 BCADMP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300409848 387206031 /nfs/dbraw/zinc/20/60/31/387206031.db2.gz BZBKUXGHTDSPSR-ZDEQEGDKSA-N 2 1 244.379 0.702 20 0 BCADMP CCC(CC)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571939396 387206558 /nfs/dbraw/zinc/20/65/58/387206558.db2.gz LLMAROOMAMJWQE-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH2+]C ZINC000418200261 387211312 /nfs/dbraw/zinc/21/13/12/387211312.db2.gz KITTZWFRQMLCKI-NSHDSACASA-N 2 1 244.383 0.625 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418200738 387211563 /nfs/dbraw/zinc/21/15/63/387211563.db2.gz QKMXAMRCGRLFLO-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH2+]C ZINC000418199641 387212570 /nfs/dbraw/zinc/21/25/70/387212570.db2.gz OEWSTFCSTQOHMD-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000418196676 387217927 /nfs/dbraw/zinc/21/79/27/387217927.db2.gz ICVGWQNFMIYNIY-NSHDSACASA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423398330 387231501 /nfs/dbraw/zinc/23/15/01/387231501.db2.gz UIRAZIQCDUGPOT-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423398330 387231504 /nfs/dbraw/zinc/23/15/04/387231504.db2.gz UIRAZIQCDUGPOT-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410899 387246225 /nfs/dbraw/zinc/24/62/25/387246225.db2.gz ARAAPPVANLOZFR-BYNQJWBRSA-N 2 1 249.358 0.434 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423374257 387196646 /nfs/dbraw/zinc/19/66/46/387196646.db2.gz JQXUMFAMCDVNGZ-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NCC(F)(F)C[NH3+] ZINC000423348433 387199625 /nfs/dbraw/zinc/19/96/25/387199625.db2.gz TWZJJDQBCLZHQH-HTQZYQBOSA-N 2 1 207.268 0.168 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000514938590 387319064 /nfs/dbraw/zinc/31/90/64/387319064.db2.gz MRYRYAMYBPAGOU-ONGXEEELSA-N 2 1 238.335 0.980 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423381405 387262382 /nfs/dbraw/zinc/26/23/82/387262382.db2.gz ZQDQRAUDVJJEML-VHSXEESVSA-N 2 1 246.318 0.660 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000645684864 387269692 /nfs/dbraw/zinc/26/96/92/387269692.db2.gz JSOMRTBYEPSAAP-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645684893 387270239 /nfs/dbraw/zinc/27/02/39/387270239.db2.gz LXDGDUHNVNKYNB-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH2+]CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000520808688 387273812 /nfs/dbraw/zinc/27/38/12/387273812.db2.gz AJSZCROBZWHBEA-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000572247064 387279143 /nfs/dbraw/zinc/27/91/43/387279143.db2.gz SVCHIPOKHKJNFS-NSHDSACASA-N 2 1 235.335 0.402 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000572247064 387279145 /nfs/dbraw/zinc/27/91/45/387279145.db2.gz SVCHIPOKHKJNFS-NSHDSACASA-N 2 1 235.335 0.402 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400358575 387280053 /nfs/dbraw/zinc/28/00/53/387280053.db2.gz BHGSGQJTKVBUFA-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP COC[C@]1(C[NH2+][C@H](C)[C@H](C)OC)CCC[NH2+]1 ZINC000423431451 387283376 /nfs/dbraw/zinc/28/33/76/387283376.db2.gz QOMOOJOCCCPYFV-GRYCIOLGSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432596 387284713 /nfs/dbraw/zinc/28/47/13/387284713.db2.gz OPQVHAYGUCXCCW-FTUHBYGFSA-N 2 1 249.358 0.337 20 0 BCADMP CC[NH2+]CCCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000643499230 387286710 /nfs/dbraw/zinc/28/67/10/387286710.db2.gz LOHAVVMUYDEGQL-RYUDHWBXSA-N 2 1 229.368 0.343 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435038 387286934 /nfs/dbraw/zinc/28/69/34/387286934.db2.gz OLJANQUZSCCDLX-DEQVHRJGSA-N 3 1 237.391 0.962 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435038 387286938 /nfs/dbraw/zinc/28/69/38/387286938.db2.gz OLJANQUZSCCDLX-DEQVHRJGSA-N 2 1 237.391 0.962 20 0 BCADMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000643500080 387318630 /nfs/dbraw/zinc/31/86/30/387318630.db2.gz WUIYQTRPSITXKX-JTQLQIEISA-N 2 1 237.303 0.362 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423450568 387300535 /nfs/dbraw/zinc/30/05/35/387300535.db2.gz FDPRGHHYEZFOEX-BQSNPHCVSA-N 2 1 221.348 0.277 20 0 BCADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC(=O)NCC1CC1 ZINC000392999753 387307774 /nfs/dbraw/zinc/30/77/74/387307774.db2.gz WKVZYYJMTZXVFZ-JQWIXIFHSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423527256 387354755 /nfs/dbraw/zinc/35/47/55/387354755.db2.gz VNWUIQUKRJITJF-GHMZBOCLSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533052 387361517 /nfs/dbraw/zinc/36/15/17/387361517.db2.gz WMQFHUKSALWMGR-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423533052 387361520 /nfs/dbraw/zinc/36/15/20/387361520.db2.gz WMQFHUKSALWMGR-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502391 387366437 /nfs/dbraw/zinc/36/64/37/387366437.db2.gz FEXZAJNEOQQGBU-RYUDHWBXSA-N 2 1 237.351 0.788 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]CCC(N)=O ZINC000515347173 387367908 /nfs/dbraw/zinc/36/79/08/387367908.db2.gz VHDWPLYSMHWPKA-UHFFFAOYSA-N 2 1 210.281 0.047 20 0 BCADMP C[C@H]([NH2+]CCOC[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000515346124 387368557 /nfs/dbraw/zinc/36/85/57/387368557.db2.gz OCOGNYCFQGKWKC-YNEHKIRRSA-N 2 1 242.363 0.912 20 0 BCADMP O=C1OCC[C@H]2CC[N@H+](CCn3ccnc3)[C@@H]12 ZINC000373449274 387372341 /nfs/dbraw/zinc/37/23/41/387372341.db2.gz UJGSZCCPSDJXNS-GHMZBOCLSA-N 2 1 235.287 0.521 20 0 BCADMP C[N@@H+](CCNC(=O)CC[NH3+])Cc1ccccc1 ZINC000263230102 387374096 /nfs/dbraw/zinc/37/40/96/387374096.db2.gz BWYIUCFQBAFDNX-UHFFFAOYSA-N 2 1 235.331 0.583 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423567941 387377887 /nfs/dbraw/zinc/37/78/87/387377887.db2.gz VLYXFQUFGRFHEL-JQWIXIFHSA-N 3 1 211.353 0.846 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000515433140 387379524 /nfs/dbraw/zinc/37/95/24/387379524.db2.gz PLUDJLZUNSMFFA-OPQQBVKSSA-N 2 1 239.363 0.535 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000515433140 387379526 /nfs/dbraw/zinc/37/95/26/387379526.db2.gz PLUDJLZUNSMFFA-OPQQBVKSSA-N 2 1 239.363 0.535 20 0 BCADMP CN(C(=O)C[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000336501061 387327810 /nfs/dbraw/zinc/32/78/10/387327810.db2.gz ISHVBRQJAVTWAA-NSHDSACASA-N 2 1 225.336 0.101 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)COC1)C1CC1 ZINC000390515263 387332283 /nfs/dbraw/zinc/33/22/83/387332283.db2.gz DOEBESIDJQRJLZ-LLVKDONJSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)COC1)C1CC1 ZINC000390515263 387332289 /nfs/dbraw/zinc/33/22/89/387332289.db2.gz DOEBESIDJQRJLZ-LLVKDONJSA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)C ZINC000423487749 387333378 /nfs/dbraw/zinc/33/33/78/387333378.db2.gz XSGIYQAQACJTRP-NEPJUHHUSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)C ZINC000423487752 387333778 /nfs/dbraw/zinc/33/37/78/387333778.db2.gz XSGIYQAQACJTRP-VXGBXAGGSA-N 2 1 213.369 0.914 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)C ZINC000423487751 387333941 /nfs/dbraw/zinc/33/39/41/387333941.db2.gz XSGIYQAQACJTRP-RYUDHWBXSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000354156111 387337874 /nfs/dbraw/zinc/33/78/74/387337874.db2.gz VPSKSYROLJBGEQ-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423494398 387338600 /nfs/dbraw/zinc/33/86/00/387338600.db2.gz DDBSQFIOVVPFCR-WYUUTHIRSA-N 3 1 211.353 0.701 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000515223183 387347156 /nfs/dbraw/zinc/34/71/56/387347156.db2.gz JMQLBSCSWFHZNL-GHMZBOCLSA-N 2 1 242.367 0.317 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC ZINC000423779226 387425506 /nfs/dbraw/zinc/42/55/06/387425506.db2.gz UZAMCONVDOIEKQ-QWRGUYRKSA-N 2 1 229.368 0.960 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423781345 387425646 /nfs/dbraw/zinc/42/56/46/387425646.db2.gz XIFPQXMMQIHWKF-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000423781832 387425937 /nfs/dbraw/zinc/42/59/37/387425937.db2.gz YAOOWUXBSAKJRY-MNOVXSKESA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000423792178 387427853 /nfs/dbraw/zinc/42/78/53/387427853.db2.gz CXQSTKBDSZCFBM-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423842230 387433565 /nfs/dbraw/zinc/43/35/65/387433565.db2.gz GVPJVBAPVGMLJC-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423845213 387434582 /nfs/dbraw/zinc/43/45/82/387434582.db2.gz KDAPGKCKIJEDCF-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(C)(C)[NH3+] ZINC000423856398 387437469 /nfs/dbraw/zinc/43/74/69/387437469.db2.gz YFXFTKQHLSJQGZ-UHFFFAOYSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423950286 387456642 /nfs/dbraw/zinc/45/66/42/387456642.db2.gz NSRDMTUVQBTDCA-LLVKDONJSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423950288 387457536 /nfs/dbraw/zinc/45/75/36/387457536.db2.gz NSRDMTUVQBTDCA-NSHDSACASA-N 2 1 227.352 0.522 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000423778917 387422495 /nfs/dbraw/zinc/42/24/95/387422495.db2.gz UNXHZFJCRJQFRD-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000423773365 387422531 /nfs/dbraw/zinc/42/25/31/387422531.db2.gz LYMSTJOBTXACNM-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408718 387520360 /nfs/dbraw/zinc/52/03/60/387520360.db2.gz KJZWSUIFIAPKKQ-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP CC(=O)NCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000516238149 387490794 /nfs/dbraw/zinc/49/07/94/387490794.db2.gz ATEGWIJGTQPFPF-ZDUSSCGKSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000516238149 387490796 /nfs/dbraw/zinc/49/07/96/387490796.db2.gz ATEGWIJGTQPFPF-ZDUSSCGKSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000516238149 387490799 /nfs/dbraw/zinc/49/07/99/387490799.db2.gz ATEGWIJGTQPFPF-ZDUSSCGKSA-N 2 1 241.379 0.929 20 0 BCADMP CC(=O)NCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000516238149 387490801 /nfs/dbraw/zinc/49/08/01/387490801.db2.gz ATEGWIJGTQPFPF-ZDUSSCGKSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643474568 387491125 /nfs/dbraw/zinc/49/11/25/387491125.db2.gz QEKDJEFPFMZLLK-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643474568 387491127 /nfs/dbraw/zinc/49/11/27/387491127.db2.gz QEKDJEFPFMZLLK-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000362182205 387581324 /nfs/dbraw/zinc/58/13/24/387581324.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362182205 387581327 /nfs/dbraw/zinc/58/13/27/387581327.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362182205 387581329 /nfs/dbraw/zinc/58/13/29/387581329.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599961 387604337 /nfs/dbraw/zinc/60/43/37/387604337.db2.gz SFAOZTKUQQJEIV-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000362385209 387606811 /nfs/dbraw/zinc/60/68/11/387606811.db2.gz ULDZQTKNVIRATM-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[C@H](C(=O)NCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422687642 387612625 /nfs/dbraw/zinc/61/26/25/387612625.db2.gz BQSAQUZHXFQHLY-CYBMUJFWSA-N 2 1 249.358 0.972 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(C)(CO)CO ZINC000305653907 387622856 /nfs/dbraw/zinc/62/28/56/387622856.db2.gz CYZYBVPGDNLRGD-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(CO)CO ZINC000305653907 387622860 /nfs/dbraw/zinc/62/28/60/387622860.db2.gz CYZYBVPGDNLRGD-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(CO)CO ZINC000305653907 387622867 /nfs/dbraw/zinc/62/28/67/387622867.db2.gz CYZYBVPGDNLRGD-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(CO)CO ZINC000305653907 387622871 /nfs/dbraw/zinc/62/28/71/387622871.db2.gz CYZYBVPGDNLRGD-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)[NH3+] ZINC000399626345 387563813 /nfs/dbraw/zinc/56/38/13/387563813.db2.gz DREROQHYDLTPDK-ZYHUDNBSSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[C@@H](C)[NH3+] ZINC000399634301 387564453 /nfs/dbraw/zinc/56/44/53/387564453.db2.gz HNRNNKUILQIKRC-TUAOUCFPSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[C@@H](C)[NH3+] ZINC000399634301 387564455 /nfs/dbraw/zinc/56/44/55/387564455.db2.gz HNRNNKUILQIKRC-TUAOUCFPSA-N 2 1 241.379 0.768 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725137 387568062 /nfs/dbraw/zinc/56/80/62/387568062.db2.gz KAEIPPLJHPEDCW-GHMZBOCLSA-N 2 1 229.368 0.674 20 0 BCADMP Cn1c(C[NH+]2CCC(C[NH3+])CC2)nnc1C1CC1 ZINC000430617116 387632661 /nfs/dbraw/zinc/63/26/61/387632661.db2.gz KCHICXXODOBMDQ-UHFFFAOYSA-N 2 1 249.362 0.863 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1ccnc1 ZINC000422728329 387638441 /nfs/dbraw/zinc/63/84/41/387638441.db2.gz FTORYXIBJNHYEB-VXGBXAGGSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1ccnc1 ZINC000422728327 387639093 /nfs/dbraw/zinc/63/90/93/387639093.db2.gz FTORYXIBJNHYEB-RYUDHWBXSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000430702454 387642560 /nfs/dbraw/zinc/64/25/60/387642560.db2.gz YUYPTIUYMZBORP-LPEHRKFASA-N 2 1 243.376 0.248 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000430702454 387642562 /nfs/dbraw/zinc/64/25/62/387642562.db2.gz YUYPTIUYMZBORP-LPEHRKFASA-N 2 1 243.376 0.248 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000044804886 387695072 /nfs/dbraw/zinc/69/50/72/387695072.db2.gz USZDWRSJKFJTAL-LBPRGKRZSA-N 2 1 239.363 0.524 20 0 BCADMP Cc1cccc(NCCNC(=O)C[C@H](C)[NH3+])[nH+]1 ZINC000430725569 387644784 /nfs/dbraw/zinc/64/47/84/387644784.db2.gz XULFTVQCXUCILD-VIFPVBQESA-N 2 1 236.319 0.655 20 0 BCADMP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738355 387645108 /nfs/dbraw/zinc/64/51/08/387645108.db2.gz JOIBROQQBKTSFF-JLLWLGSASA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430741806 387646378 /nfs/dbraw/zinc/64/63/78/387646378.db2.gz FAWGICLFOIDAFB-VWYCJHECSA-N 2 1 227.352 0.713 20 0 BCADMP COCCOCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422793911 387695174 /nfs/dbraw/zinc/69/51/74/387695174.db2.gz XQGULAARKGCTFH-NEPJUHHUSA-N 2 1 230.352 0.627 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@@H](C)[NH3+])[nH+]1 ZINC000430733282 387647087 /nfs/dbraw/zinc/64/70/87/387647087.db2.gz QZQPPFLMISDJFM-SECBINFHSA-N 2 1 222.292 0.265 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000430783610 387652558 /nfs/dbraw/zinc/65/25/58/387652558.db2.gz MZVHILXFVFFRAM-ZJUUUORDSA-N 2 1 225.336 0.419 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])C[C@H]1C ZINC000430803583 387653519 /nfs/dbraw/zinc/65/35/19/387653519.db2.gz VMHHSFZWILSKJN-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430809264 387653586 /nfs/dbraw/zinc/65/35/86/387653586.db2.gz PGYSQJRHFQPRSE-LBPRGKRZSA-N 2 1 239.363 0.526 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000362770829 387657698 /nfs/dbraw/zinc/65/76/98/387657698.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362770829 387657702 /nfs/dbraw/zinc/65/77/02/387657702.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362770829 387657703 /nfs/dbraw/zinc/65/77/03/387657703.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 2 1 227.352 0.252 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000430901309 387658091 /nfs/dbraw/zinc/65/80/91/387658091.db2.gz UEXFMSQOLDKMQG-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430889281 387658515 /nfs/dbraw/zinc/65/85/15/387658515.db2.gz KRAXNZAQDYHBOR-NWDGAFQWSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422765117 387664837 /nfs/dbraw/zinc/66/48/37/387664837.db2.gz QFHYMGFGWPJTMD-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023871 387669901 /nfs/dbraw/zinc/66/99/01/387669901.db2.gz JIKYCUZHMPWJJC-KOLCDFICSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023868 387670032 /nfs/dbraw/zinc/67/00/32/387670032.db2.gz JIKYCUZHMPWJJC-GXSJLCMTSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139003 387674617 /nfs/dbraw/zinc/67/46/17/387674617.db2.gz DRTYCTNMYTYPDW-MMWGEVLESA-N 2 1 223.320 0.029 20 0 BCADMP CC(C)[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422780045 387678019 /nfs/dbraw/zinc/67/80/19/387678019.db2.gz JQYBMPXTTVPWFO-SDDRHHMPSA-N 2 1 214.353 0.981 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000126462803 387683397 /nfs/dbraw/zinc/68/33/97/387683397.db2.gz CBUDERRNLUKJAS-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422743142 387689162 /nfs/dbraw/zinc/68/91/62/387689162.db2.gz HZRHXBWSIYJMEF-STQMWFEESA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000422742956 387689422 /nfs/dbraw/zinc/68/94/22/387689422.db2.gz HJQUWHPLFREFLI-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643525707 387752213 /nfs/dbraw/zinc/75/22/13/387752213.db2.gz CDSKNXSTZYAFFG-NXEZZACHSA-N 2 1 246.318 0.660 20 0 BCADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000422875913 387752534 /nfs/dbraw/zinc/75/25/34/387752534.db2.gz DKYISKXJWZSAJT-VXGBXAGGSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643525708 387752497 /nfs/dbraw/zinc/75/24/97/387752497.db2.gz CDSKNXSTZYAFFG-UWVGGRQHSA-N 2 1 246.318 0.660 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C ZINC000356743766 387711657 /nfs/dbraw/zinc/71/16/57/387711657.db2.gz OGKYHNPWLKCBNA-JTQLQIEISA-N 2 1 215.341 0.393 20 0 BCADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828084 387722336 /nfs/dbraw/zinc/72/23/36/387722336.db2.gz SSDFZLGQSLSLBZ-TUAOUCFPSA-N 2 1 243.420 0.893 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000356845840 387729640 /nfs/dbraw/zinc/72/96/40/387729640.db2.gz JAQPXBKHQBURAP-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000356845840 387729647 /nfs/dbraw/zinc/72/96/47/387729647.db2.gz JAQPXBKHQBURAP-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000356845840 387729651 /nfs/dbraw/zinc/72/96/51/387729651.db2.gz JAQPXBKHQBURAP-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000356845840 387729655 /nfs/dbraw/zinc/72/96/55/387729655.db2.gz JAQPXBKHQBURAP-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142554 387731587 /nfs/dbraw/zinc/73/15/87/387731587.db2.gz IKKDHPMACPWESC-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422843745 387732004 /nfs/dbraw/zinc/73/20/04/387732004.db2.gz JIOVJFZMOJVXHC-NEPJUHHUSA-N 2 1 229.368 0.424 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367617559 387733275 /nfs/dbraw/zinc/73/32/75/387733275.db2.gz QPEUVYMFDYCPGN-UMSGYPCISA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367617557 387733330 /nfs/dbraw/zinc/73/33/30/387733330.db2.gz QPEUVYMFDYCPGN-RVMXOQNASA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422847925 387734425 /nfs/dbraw/zinc/73/44/25/387734425.db2.gz AEOZRPTVKQNIIK-YVECIDJPSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422847919 387735356 /nfs/dbraw/zinc/73/53/56/387735356.db2.gz AEOZRPTVKQNIIK-FVCCEPFGSA-N 2 1 242.363 0.911 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892904 387762247 /nfs/dbraw/zinc/76/22/47/387762247.db2.gz ZSDWLCWJDGTOBS-JHJVBQTASA-N 2 1 241.379 0.437 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422889587 387763566 /nfs/dbraw/zinc/76/35/66/387763566.db2.gz GRDBTTXUWAHQGC-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]([NH3+])CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000442650372 387811842 /nfs/dbraw/zinc/81/18/42/387811842.db2.gz PBLDIFYHPHFPFH-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000441619171 387772890 /nfs/dbraw/zinc/77/28/90/387772890.db2.gz ZLRPFXZTKNFSPB-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527952689 387782842 /nfs/dbraw/zinc/78/28/42/387782842.db2.gz ISJJIZFMPZGUSE-YVECIDJPSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)CC[N@H+]1C ZINC000527958143 387784429 /nfs/dbraw/zinc/78/44/29/387784429.db2.gz UZGDUKBZNPFVMZ-FVCCEPFGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CCO)[C@H]1CCCC[NH2+]1 ZINC000422980744 387792424 /nfs/dbraw/zinc/79/24/24/387792424.db2.gz QWMDVSCRIZEQGF-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422981838 387793033 /nfs/dbraw/zinc/79/30/33/387793033.db2.gz UOVGMJRKYYGHKT-UKKRHICBSA-N 2 1 232.393 0.686 20 0 BCADMP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882206 387758472 /nfs/dbraw/zinc/75/84/72/387758472.db2.gz ANSOPOXLIDFQHJ-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882206 387758475 /nfs/dbraw/zinc/75/84/75/387758475.db2.gz ANSOPOXLIDFQHJ-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)COC)[C@H]1CCCC[NH2+]1 ZINC000422973580 387823557 /nfs/dbraw/zinc/82/35/57/387823557.db2.gz CDAMGGJCKPPXAC-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H](CCO)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422974147 387823859 /nfs/dbraw/zinc/82/38/59/387823859.db2.gz DHSISHFMTAGSET-GMTAPVOTSA-N 2 1 200.326 0.735 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000424157580 387831005 /nfs/dbraw/zinc/83/10/05/387831005.db2.gz PZQIIDLSBULDOL-ZMLRMANQSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCO ZINC000423008952 387831002 /nfs/dbraw/zinc/83/10/02/387831002.db2.gz UXDTYQQPPDBUAA-GHMZBOCLSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000643537566 387873169 /nfs/dbraw/zinc/87/31/69/387873169.db2.gz LTQMSUYWXIRTEM-NOOOWODRSA-N 2 1 241.354 0.901 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000442759049 387834083 /nfs/dbraw/zinc/83/40/83/387834083.db2.gz JYAGQVVIDMCQKG-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC1CC1 ZINC000442759049 387834090 /nfs/dbraw/zinc/83/40/90/387834090.db2.gz JYAGQVVIDMCQKG-JQWIXIFHSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000442765697 387834993 /nfs/dbraw/zinc/83/49/93/387834993.db2.gz JONYOLJOMKRSKR-MXWKQRLJSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000442765697 387834995 /nfs/dbraw/zinc/83/49/95/387834995.db2.gz JONYOLJOMKRSKR-MXWKQRLJSA-N 2 1 248.392 0.336 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424159445 387838776 /nfs/dbraw/zinc/83/87/76/387838776.db2.gz SUYSWBDJPWBVCQ-AEJSXWLSSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H](C(N)=O)c1ccccc1 ZINC000442784369 387839926 /nfs/dbraw/zinc/83/99/26/387839926.db2.gz VTHGJKYSSIVNJY-NQBHXWOUSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H](C(N)=O)c1ccccc1 ZINC000442784369 387839928 /nfs/dbraw/zinc/83/99/28/387839928.db2.gz VTHGJKYSSIVNJY-NQBHXWOUSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033440 387848617 /nfs/dbraw/zinc/84/86/17/387848617.db2.gz GRQNZEXYXHDOEF-AVGNSLFASA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033445 387849400 /nfs/dbraw/zinc/84/94/00/387849400.db2.gz GRQNZEXYXHDOEF-XQQFMLRXSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423036453 387850981 /nfs/dbraw/zinc/85/09/81/387850981.db2.gz UASDBGHJVKSRGG-WDEREUQCSA-N 2 1 212.337 0.737 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423037177 387851099 /nfs/dbraw/zinc/85/10/99/387851099.db2.gz VPOQEPLEDTUYLG-RCWTZXSCSA-N 2 1 200.326 0.876 20 0 BCADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423036936 387851395 /nfs/dbraw/zinc/85/13/95/387851395.db2.gz LZCRFEWRGHMBJQ-ZDEQEGDKSA-N 2 1 242.363 0.911 20 0 BCADMP COC(=O)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193620830 387857382 /nfs/dbraw/zinc/85/73/82/387857382.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 2 1 212.293 0.043 20 0 BCADMP COC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620830 387857387 /nfs/dbraw/zinc/85/73/87/387857387.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 2 1 212.293 0.043 20 0 BCADMP COC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620830 387857392 /nfs/dbraw/zinc/85/73/92/387857392.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 2 1 212.293 0.043 20 0 BCADMP COC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620830 387857396 /nfs/dbraw/zinc/85/73/96/387857396.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 2 1 212.293 0.043 20 0 BCADMP CC(C)OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636546 387857615 /nfs/dbraw/zinc/85/76/15/387857615.db2.gz WPMUYKLKAUUSGL-TXEJJXNPSA-N 2 1 212.337 0.905 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CCOCC(F)F)C[C@H]2C1 ZINC000193653010 387858368 /nfs/dbraw/zinc/85/83/68/387858368.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 1 234.290 0.762 20 0 BCADMP COCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623588 387859479 /nfs/dbraw/zinc/85/94/79/387859479.db2.gz GCLSGENXYSCLEA-TXEJJXNPSA-N 2 1 212.337 0.906 20 0 BCADMP COCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193623588 387859483 /nfs/dbraw/zinc/85/94/83/387859483.db2.gz GCLSGENXYSCLEA-TXEJJXNPSA-N 2 1 212.337 0.906 20 0 BCADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629307 387860488 /nfs/dbraw/zinc/86/04/88/387860488.db2.gz DNAIVNOCVWCRPN-FRRDWIJNSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)OC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629307 387860492 /nfs/dbraw/zinc/86/04/92/387860492.db2.gz DNAIVNOCVWCRPN-FRRDWIJNSA-N 2 1 242.363 0.266 20 0 BCADMP CSC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645611 387860746 /nfs/dbraw/zinc/86/07/46/387860746.db2.gz HUVKVWJSEBCEQQ-AXFHLTTASA-N 2 1 230.377 0.204 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322436326 387865839 /nfs/dbraw/zinc/86/58/39/387865839.db2.gz QIPGDYIYOCUKQE-OFLUOSHYSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536235 387867768 /nfs/dbraw/zinc/86/77/68/387867768.db2.gz OZYMGANMVXZUOY-GRYCIOLGSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537238 387874736 /nfs/dbraw/zinc/87/47/36/387874736.db2.gz BOHUJULCLFQLRP-MRBYEJRBSA-N 2 1 241.354 0.759 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422968138 387816066 /nfs/dbraw/zinc/81/60/66/387816066.db2.gz QKSGRAQFYVCLCC-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000442660099 387816880 /nfs/dbraw/zinc/81/68/80/387816880.db2.gz LYCAJYHXLQJNHZ-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000442660099 387816883 /nfs/dbraw/zinc/81/68/83/387816883.db2.gz LYCAJYHXLQJNHZ-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422970009 387818558 /nfs/dbraw/zinc/81/85/58/387818558.db2.gz DWMKCESLFHXIGC-XQQFMLRXSA-N 2 1 244.379 0.750 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538403 387876286 /nfs/dbraw/zinc/87/62/86/387876286.db2.gz JIXYQSHESIDSTG-RHYQMDGZSA-N 2 1 229.343 0.794 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645856743 387876807 /nfs/dbraw/zinc/87/68/07/387876807.db2.gz VIRODVOKKLPNGE-JTQLQIEISA-N 2 1 227.352 0.441 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCO ZINC000423084273 387877864 /nfs/dbraw/zinc/87/78/64/387877864.db2.gz HISLHCXEBFPPNR-WDEREUQCSA-N 2 1 200.326 0.737 20 0 BCADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423082858 387879199 /nfs/dbraw/zinc/87/91/99/387879199.db2.gz DWJUKTJVRMVLSP-WRWGMCAJSA-N 2 1 240.347 0.916 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423086533 387881218 /nfs/dbraw/zinc/88/12/18/387881218.db2.gz MAGMQDKIMUBVHV-IGJPJIBNSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CC=CCC1 ZINC000423094545 387884884 /nfs/dbraw/zinc/88/48/84/387884884.db2.gz KJDWDJUSJMLSPO-RYUDHWBXSA-N 2 1 211.353 0.964 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1CC=CCC1 ZINC000423094545 387884888 /nfs/dbraw/zinc/88/48/88/387884888.db2.gz KJDWDJUSJMLSPO-RYUDHWBXSA-N 2 1 211.353 0.964 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000645755656 387886551 /nfs/dbraw/zinc/88/65/51/387886551.db2.gz TUZLMOPVQILJGA-KOLCDFICSA-N 2 1 237.347 0.337 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123102 387903516 /nfs/dbraw/zinc/90/35/16/387903516.db2.gz MATQISLUGOKDNN-GHMZBOCLSA-N 2 1 213.369 0.913 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CC(C)(C)[NH3+] ZINC000645629543 387911174 /nfs/dbraw/zinc/91/11/74/387911174.db2.gz WOKRINCSNBBKHD-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423138683 387915812 /nfs/dbraw/zinc/91/58/12/387915812.db2.gz JUHVTPSDDQQWHR-YUSALJHKSA-N 2 1 212.337 0.593 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423157557 387937335 /nfs/dbraw/zinc/93/73/35/387937335.db2.gz BEMAMKFWULKSJF-YUSALJHKSA-N 2 1 212.337 0.735 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423143955 387920034 /nfs/dbraw/zinc/92/00/34/387920034.db2.gz FQIKAADGXYTWGR-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430890910 387937162 /nfs/dbraw/zinc/93/71/62/387937162.db2.gz TXONFQZHWAOYOC-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423149667 387927723 /nfs/dbraw/zinc/92/77/23/387927723.db2.gz AWAZOVRWSPROFE-UMSGYPCISA-N 2 1 242.363 0.626 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423149664 387928282 /nfs/dbraw/zinc/92/82/82/387928282.db2.gz AWAZOVRWSPROFE-FDYHWXHSSA-N 2 1 242.363 0.626 20 0 BCADMP C[C@H](CCO)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423148779 387928301 /nfs/dbraw/zinc/92/83/01/387928301.db2.gz WMYCTBMBIZNCOY-SRVKXCTJSA-N 2 1 214.353 0.983 20 0 BCADMP Cc1cnc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000423168904 387954925 /nfs/dbraw/zinc/95/49/25/387954925.db2.gz VIGHPBWOYPQGNS-GXFFZTMASA-N 2 1 234.347 0.915 20 0 BCADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](C)O ZINC000423158099 387938635 /nfs/dbraw/zinc/93/86/35/387938635.db2.gz WGHWFQQJWDIIHY-ZRUFSTJUSA-N 2 1 200.326 0.876 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C)CC1 ZINC000438827612 387956712 /nfs/dbraw/zinc/95/67/12/387956712.db2.gz CRFCCKKDKWPYKL-LLVKDONJSA-N 2 1 237.351 0.741 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423107960 387945673 /nfs/dbraw/zinc/94/56/73/387945673.db2.gz LTVFHOBPWRFGCA-SDDRHHMPSA-N 2 1 214.353 0.839 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423163612 387946285 /nfs/dbraw/zinc/94/62/85/387946285.db2.gz MZQQMJLIHAPEBA-NNYUYHANSA-N 2 1 212.337 0.735 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000245673124 387972070 /nfs/dbraw/zinc/97/20/70/387972070.db2.gz FHLGJVVRBLYTHD-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000245673124 387972075 /nfs/dbraw/zinc/97/20/75/387972075.db2.gz FHLGJVVRBLYTHD-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000245673124 387972076 /nfs/dbraw/zinc/97/20/76/387972076.db2.gz FHLGJVVRBLYTHD-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@H]21 ZINC000245673124 387972082 /nfs/dbraw/zinc/97/20/82/387972082.db2.gz FHLGJVVRBLYTHD-IJLUTSLNSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423175996 387962926 /nfs/dbraw/zinc/96/29/26/387962926.db2.gz BLDNHRIPFHREEG-AXFHLTTASA-N 2 1 210.321 0.882 20 0 BCADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[NH3+])CO2 ZINC000423180757 387966785 /nfs/dbraw/zinc/96/67/85/387966785.db2.gz IXTVALBLAQLZQK-JTQLQIEISA-N 2 1 222.288 0.547 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423194366 387979672 /nfs/dbraw/zinc/97/96/72/387979672.db2.gz RIFYWLYSTIMCIR-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423189178 387973801 /nfs/dbraw/zinc/97/38/01/387973801.db2.gz MRTYEZGPNSJSJA-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423189178 387973805 /nfs/dbraw/zinc/97/38/05/387973805.db2.gz MRTYEZGPNSJSJA-SDDRHHMPSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423189178 387973810 /nfs/dbraw/zinc/97/38/10/387973810.db2.gz MRTYEZGPNSJSJA-SDDRHHMPSA-N 3 1 211.353 0.798 20 0 BCADMP C[NH2+]CCCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423201267 387987862 /nfs/dbraw/zinc/98/78/62/387987862.db2.gz OGSCVBBTMPMLRY-MNOVXSKESA-N 2 1 211.353 0.811 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000424364197 387990004 /nfs/dbraw/zinc/99/00/04/387990004.db2.gz DBFFKPOVKTZIID-WDEREUQCSA-N 3 1 247.333 0.820 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424369639 387995243 /nfs/dbraw/zinc/99/52/43/387995243.db2.gz CUCUPIPWZCJSPT-DTWKUNHWSA-N 2 1 249.305 0.345 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196948 387981986 /nfs/dbraw/zinc/98/19/86/387981986.db2.gz XAAPJVBOPYMSQY-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP C[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423200329 387986690 /nfs/dbraw/zinc/98/66/90/387986690.db2.gz LVEBNANFCIWRAK-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000530460256 322813565 /nfs/dbraw/zinc/81/35/65/322813565.db2.gz DASIIOPLVTYNNJ-JTQLQIEISA-N 2 1 238.335 0.419 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000446369196 388016739 /nfs/dbraw/zinc/01/67/39/388016739.db2.gz LMWJXAJYGOEMGQ-VPOLOUISSA-N 2 1 243.326 0.285 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000446363886 388016901 /nfs/dbraw/zinc/01/69/01/388016901.db2.gz QRVWWBVCEYQBPX-TUAOUCFPSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256338 388019809 /nfs/dbraw/zinc/01/98/09/388019809.db2.gz JDKXVZJHAHBPJH-JTQLQIEISA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423256204 388036437 /nfs/dbraw/zinc/03/64/37/388036437.db2.gz BMMSIJQCHRXKFI-WCFLWFBJSA-N 2 1 241.379 0.199 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000446821670 388040634 /nfs/dbraw/zinc/04/06/34/388040634.db2.gz ROWLRJVYNZUUEQ-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000246279265 388027178 /nfs/dbraw/zinc/02/71/78/388027178.db2.gz MLEGKSPFFVTAAA-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP C[NH+]1CCC(NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000082339947 388030665 /nfs/dbraw/zinc/03/06/65/388030665.db2.gz PSJYKLZVJRESGT-UHFFFAOYSA-N 2 1 240.351 0.038 20 0 BCADMP C[C@H](NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248759 388031388 /nfs/dbraw/zinc/03/13/88/388031388.db2.gz NSOBSFVEBKUXGH-SDDRHHMPSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248763 388031985 /nfs/dbraw/zinc/03/19/85/388031985.db2.gz NSOBSFVEBKUXGH-WOPDTQHZSA-N 2 1 211.353 0.716 20 0 BCADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423275604 388056334 /nfs/dbraw/zinc/05/63/34/388056334.db2.gz LWQQIEXHVVTCPH-SUZMYJTESA-N 2 1 223.364 0.939 20 0 BCADMP COC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C(C)C ZINC000423275609 388056744 /nfs/dbraw/zinc/05/67/44/388056744.db2.gz LXSGKXBOVBRVNZ-QWRGUYRKSA-N 2 1 200.326 0.984 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423275602 388056847 /nfs/dbraw/zinc/05/68/47/388056847.db2.gz LWQQIEXHVVTCPH-CDMKHQONSA-N 2 1 223.364 0.939 20 0 BCADMP [NH3+]CC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000083913497 388066377 /nfs/dbraw/zinc/06/63/77/388066377.db2.gz FNEVASVIDSBCHB-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423285267 388068215 /nfs/dbraw/zinc/06/82/15/388068215.db2.gz YZPUEHKUKQQGMF-QJPTWQEYSA-N 2 1 213.369 0.900 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000423284887 388068777 /nfs/dbraw/zinc/06/87/77/388068777.db2.gz XIVUBDKXMLUFGW-ZMLRMANQSA-N 2 1 211.353 0.654 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000084063512 388069377 /nfs/dbraw/zinc/06/93/77/388069377.db2.gz VZUBFQYORGKIOG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286469 388071941 /nfs/dbraw/zinc/07/19/41/388071941.db2.gz HOALSQHSCUDTSM-MWLCHTKSSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423286469 388071944 /nfs/dbraw/zinc/07/19/44/388071944.db2.gz HOALSQHSCUDTSM-MWLCHTKSSA-N 2 1 211.353 0.796 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295044 388077735 /nfs/dbraw/zinc/07/77/35/388077735.db2.gz DHQPBTNNALNWEV-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447914266 388102330 /nfs/dbraw/zinc/10/23/30/388102330.db2.gz OSFHEUMKXGXGKL-AGIUHOORSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932337 388110832 /nfs/dbraw/zinc/11/08/32/388110832.db2.gz DUCLRAKRNXEVCF-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086930502 388111286 /nfs/dbraw/zinc/11/12/86/388111286.db2.gz ILZJCSCUHIDZHP-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@@H]1CC[NH2+]C1 ZINC000646070927 388136820 /nfs/dbraw/zinc/13/68/20/388136820.db2.gz WSTZSOYYAFPOBF-VHSXEESVSA-N 2 1 209.293 0.967 20 0 BCADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@H]1CC[NH2+]C1 ZINC000646070926 388136923 /nfs/dbraw/zinc/13/69/23/388136923.db2.gz WSTZSOYYAFPOBF-UWVGGRQHSA-N 2 1 209.293 0.967 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000449102828 388142828 /nfs/dbraw/zinc/14/28/28/388142828.db2.gz LUZHRFXVVBLWKK-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576286 388236759 /nfs/dbraw/zinc/23/67/59/388236759.db2.gz RIUWJAQWDYQMHB-PWSUYJOCSA-N 2 1 245.342 0.664 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCOC1)C2 ZINC000629585643 388283100 /nfs/dbraw/zinc/28/31/00/388283100.db2.gz ZVABNHPZNXJVQT-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845204 388324511 /nfs/dbraw/zinc/32/45/11/388324511.db2.gz JSPNEYNCADRAJC-FJOGCWAESA-N 2 1 239.363 0.657 20 0 BCADMP CN(C(=O)/C=C\C[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000491901823 388326947 /nfs/dbraw/zinc/32/69/47/388326947.db2.gz CHUZCESSFKZCQX-VFFGBVLKSA-N 2 1 239.363 0.657 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000492282741 388340343 /nfs/dbraw/zinc/34/03/43/388340343.db2.gz HYXPOBHTEARMFL-VOTSOKGWSA-N 2 1 239.363 0.657 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1OC ZINC000514673897 256686724 /nfs/dbraw/zinc/68/67/24/256686724.db2.gz UEMLVWPLBUPZGO-LLVKDONJSA-N 2 1 237.303 0.031 20 0 BCADMP CC(=O)NCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000234286695 388354260 /nfs/dbraw/zinc/35/42/60/388354260.db2.gz HUYMPFWJGKGLDR-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000234286695 388354263 /nfs/dbraw/zinc/35/42/63/388354263.db2.gz HUYMPFWJGKGLDR-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572644114 388363438 /nfs/dbraw/zinc/36/34/38/388363438.db2.gz NYBGNOMJDOIDRV-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP [NH3+]CCC1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000572777064 388375521 /nfs/dbraw/zinc/37/55/21/388375521.db2.gz CDFJAZAMNMXOIY-UHFFFAOYSA-N 2 1 249.305 0.558 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC[NH3+] ZINC000236711472 388382850 /nfs/dbraw/zinc/38/28/50/388382850.db2.gz NENYVSJZRABJTN-UHFFFAOYSA-N 2 1 201.314 0.183 20 0 BCADMP Cc1cc[nH+]c(N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313358830 388391904 /nfs/dbraw/zinc/39/19/04/388391904.db2.gz PWGNYLNIBBRHSU-NSHDSACASA-N 2 1 221.304 0.944 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237230222 388392009 /nfs/dbraw/zinc/39/20/09/388392009.db2.gz VJWREKLGQPOVKD-GFCCVEGCSA-N 2 1 249.358 0.843 20 0 BCADMP Cc1cc[nH+]c(N2CCCO[C@H](C[NH3+])C2)c1 ZINC000313358827 388392122 /nfs/dbraw/zinc/39/21/22/388392122.db2.gz PWGNYLNIBBRHSU-LLVKDONJSA-N 2 1 221.304 0.944 20 0 BCADMP C[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000237390884 388394268 /nfs/dbraw/zinc/39/42/68/388394268.db2.gz KUMNXHCJQZKPFT-UHFFFAOYSA-N 2 1 238.335 0.732 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])C1CC[NH+](C)CC1 ZINC000573013908 388406629 /nfs/dbraw/zinc/40/66/29/388406629.db2.gz KSHCFNAJDKIAAR-UHFFFAOYSA-N 2 1 249.305 0.523 20 0 BCADMP CC(C)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648866427 388475489 /nfs/dbraw/zinc/47/54/89/388475489.db2.gz WMUMJHUACXAKHD-ZYHUDNBSSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648866427 388475490 /nfs/dbraw/zinc/47/54/90/388475490.db2.gz WMUMJHUACXAKHD-ZYHUDNBSSA-N 2 1 239.363 0.535 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648866427 388475492 /nfs/dbraw/zinc/47/54/92/388475492.db2.gz WMUMJHUACXAKHD-ZYHUDNBSSA-N 2 1 239.363 0.535 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000224623261 388427638 /nfs/dbraw/zinc/42/76/38/388427638.db2.gz XIKJDQCBXOSBGM-VHSXEESVSA-N 2 1 216.350 0.399 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CCO1 ZINC000224623261 388427642 /nfs/dbraw/zinc/42/76/42/388427642.db2.gz XIKJDQCBXOSBGM-VHSXEESVSA-N 2 1 216.350 0.399 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220608 388433487 /nfs/dbraw/zinc/43/34/87/388433487.db2.gz HACRXBOHSUZUSF-QWRGUYRKSA-N 2 1 223.320 0.030 20 0 BCADMP c1nc(NC2C[NH2+]C2)cc(NCC2CC2)[nH+]1 ZINC000573227573 388433732 /nfs/dbraw/zinc/43/37/32/388433732.db2.gz STPJUMVRZNOBIH-UHFFFAOYSA-N 2 1 219.292 0.682 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000573244967 388435087 /nfs/dbraw/zinc/43/50/87/388435087.db2.gz ARYGVWRYDLLVTK-JMJZKYOTSA-N 2 1 225.336 0.323 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000646783278 388501368 /nfs/dbraw/zinc/50/13/68/388501368.db2.gz ZPBOAJVVJGAVMK-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000516867504 256804740 /nfs/dbraw/zinc/80/47/40/256804740.db2.gz ZZDWMSVKYNLPGV-QWHCGFSZSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000516867504 256804741 /nfs/dbraw/zinc/80/47/41/256804741.db2.gz ZZDWMSVKYNLPGV-QWHCGFSZSA-N 2 1 241.379 0.424 20 0 BCADMP CC[N@@H+](CC(=O)NCC[NH2+]C(C)(C)C)C1CC1 ZINC000136033820 388519956 /nfs/dbraw/zinc/51/99/56/388519956.db2.gz OFLRGPDMMPHLBO-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593435 388532686 /nfs/dbraw/zinc/53/26/86/388532686.db2.gz NUIIRCAKUODQTP-CHWSQXEVSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593435 388532690 /nfs/dbraw/zinc/53/26/90/388532690.db2.gz NUIIRCAKUODQTP-CHWSQXEVSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649310583 388596224 /nfs/dbraw/zinc/59/62/24/388596224.db2.gz XBGPDOSISNNTBI-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310974 388596661 /nfs/dbraw/zinc/59/66/61/388596661.db2.gz RJRBPTJTUCUWIA-QCNOEVLYSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328312191 388599140 /nfs/dbraw/zinc/59/91/40/388599140.db2.gz BULUOHPFJMZSQS-RTXFEEFZSA-N 2 1 247.342 0.535 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328312191 388599144 /nfs/dbraw/zinc/59/91/44/388599144.db2.gz BULUOHPFJMZSQS-RTXFEEFZSA-N 2 1 247.342 0.535 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842933 388610412 /nfs/dbraw/zinc/61/04/12/388610412.db2.gz HPPQFMROMVSFKI-GRYCIOLGSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842933 388610416 /nfs/dbraw/zinc/61/04/16/388610416.db2.gz HPPQFMROMVSFKI-GRYCIOLGSA-N 2 1 241.379 0.674 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000550714291 388613962 /nfs/dbraw/zinc/61/39/62/388613962.db2.gz RVSCWFVFVDFWCB-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000550714291 388613963 /nfs/dbraw/zinc/61/39/63/388613963.db2.gz RVSCWFVFVDFWCB-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000550714291 388613965 /nfs/dbraw/zinc/61/39/65/388613965.db2.gz RVSCWFVFVDFWCB-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000550714291 388613967 /nfs/dbraw/zinc/61/39/67/388613967.db2.gz RVSCWFVFVDFWCB-FRRDWIJNSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358125716 388553300 /nfs/dbraw/zinc/55/33/00/388553300.db2.gz IOAAQHIFLBBEKF-NEPJUHHUSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000252716309 388574276 /nfs/dbraw/zinc/57/42/76/388574276.db2.gz YCUKUQBTCGTFEB-GHMZBOCLSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000252716310 388574455 /nfs/dbraw/zinc/57/44/55/388574455.db2.gz YCUKUQBTCGTFEB-WDEREUQCSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530217284 388630704 /nfs/dbraw/zinc/63/07/04/388630704.db2.gz APGZJDAGTKHTFI-UZEXVOJHSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223147 388632943 /nfs/dbraw/zinc/63/29/43/388632943.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 2 1 241.379 0.293 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530223147 388632944 /nfs/dbraw/zinc/63/29/44/388632944.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 2 1 241.379 0.293 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530223147 388632946 /nfs/dbraw/zinc/63/29/46/388632946.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 2 1 241.379 0.293 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222658362 388643240 /nfs/dbraw/zinc/64/32/40/388643240.db2.gz CDZUWLFFGWQXFW-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000328470466 388644089 /nfs/dbraw/zinc/64/40/89/388644089.db2.gz ZLLYANTYAMAKSZ-RYUDHWBXSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000328470466 388644091 /nfs/dbraw/zinc/64/40/91/388644091.db2.gz ZLLYANTYAMAKSZ-RYUDHWBXSA-N 2 1 242.363 0.599 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC000222732759 388644222 /nfs/dbraw/zinc/64/42/22/388644222.db2.gz QCIBDOVOWLACPH-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000551921751 388647867 /nfs/dbraw/zinc/64/78/67/388647867.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000551921751 388647870 /nfs/dbraw/zinc/64/78/70/388647870.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 1 248.330 0.335 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000551921751 388647872 /nfs/dbraw/zinc/64/78/72/388647872.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 1 248.330 0.335 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000551949286 388649947 /nfs/dbraw/zinc/64/99/47/388649947.db2.gz DURKIUKALHKZEC-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cnnc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246806057 388652564 /nfs/dbraw/zinc/65/25/64/388652564.db2.gz JGSJRDOFFLVKCC-NWDGAFQWSA-N 2 1 249.362 0.731 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227156217 388742267 /nfs/dbraw/zinc/74/22/67/388742267.db2.gz CAVNVERAWKZOCL-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227156210 388742304 /nfs/dbraw/zinc/74/23/04/388742304.db2.gz CAVNVERAWKZOCL-QWRGUYRKSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CC[N@H+]1C ZINC000128298958 388745498 /nfs/dbraw/zinc/74/54/98/388745498.db2.gz HHRVXZNVTQOLSG-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249084261 388708618 /nfs/dbraw/zinc/70/86/18/388708618.db2.gz BFEGUPIWRHQDDT-GARJFASQSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249084261 388708620 /nfs/dbraw/zinc/70/86/20/388708620.db2.gz BFEGUPIWRHQDDT-GARJFASQSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249084261 388708622 /nfs/dbraw/zinc/70/86/22/388708622.db2.gz BFEGUPIWRHQDDT-GARJFASQSA-N 2 1 200.326 0.782 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249084261 388708624 /nfs/dbraw/zinc/70/86/24/388708624.db2.gz BFEGUPIWRHQDDT-GARJFASQSA-N 2 1 200.326 0.782 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522170442 388712167 /nfs/dbraw/zinc/71/21/67/388712167.db2.gz VUTVTDHQTTUZDB-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC000522184206 388715584 /nfs/dbraw/zinc/71/55/84/388715584.db2.gz UCLOCMBZRJAWMB-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000522184206 388715586 /nfs/dbraw/zinc/71/55/86/388715586.db2.gz UCLOCMBZRJAWMB-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000522184206 388715588 /nfs/dbraw/zinc/71/55/88/388715588.db2.gz UCLOCMBZRJAWMB-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522185176 388716617 /nfs/dbraw/zinc/71/66/17/388716617.db2.gz BVWCCXCPSMFPJZ-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226398417 388718695 /nfs/dbraw/zinc/71/86/95/388718695.db2.gz PVPCPXNTSMCPCM-QMMMGPOBSA-N 2 1 213.325 0.323 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803344 388758336 /nfs/dbraw/zinc/75/83/36/388758336.db2.gz DMBJQQZIYCDRBZ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H](O)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000228037378 388766091 /nfs/dbraw/zinc/76/60/91/388766091.db2.gz JOFBYNPQQGJRCB-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836627 /nfs/dbraw/zinc/83/66/27/388836627.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836630 /nfs/dbraw/zinc/83/66/30/388836630.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836633 /nfs/dbraw/zinc/83/66/33/388836633.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836637 /nfs/dbraw/zinc/83/66/37/388836637.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836642 /nfs/dbraw/zinc/83/66/42/388836642.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO)C1CC1 ZINC000554936642 388836644 /nfs/dbraw/zinc/83/66/44/388836644.db2.gz YZLHPOGCUZIENY-OLZOCXBDSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](Cc1nnc2n1CCC2)CC1CC[NH2+]CC1 ZINC000555337098 388847392 /nfs/dbraw/zinc/84/73/92/388847392.db2.gz PKVWVYZQJIRGFY-UHFFFAOYSA-N 2 1 249.362 0.656 20 0 BCADMP C[N@H+](Cc1nnc2n1CCC2)CC1CC[NH2+]CC1 ZINC000555337098 388847396 /nfs/dbraw/zinc/84/73/96/388847396.db2.gz PKVWVYZQJIRGFY-UHFFFAOYSA-N 2 1 249.362 0.656 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000564988303 388903185 /nfs/dbraw/zinc/90/31/85/388903185.db2.gz AWXIPHFVSDEHOE-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000564826533 388891701 /nfs/dbraw/zinc/89/17/01/388891701.db2.gz WJSMWTVIFCZLJR-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194867045 388900876 /nfs/dbraw/zinc/90/08/76/388900876.db2.gz PSZMASZXMSMHBM-JQWIXIFHSA-N 2 1 235.331 0.753 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000564576475 388878489 /nfs/dbraw/zinc/87/84/89/388878489.db2.gz MNMRYNJOWRIWHC-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000564576475 388878493 /nfs/dbraw/zinc/87/84/93/388878493.db2.gz MNMRYNJOWRIWHC-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC ZINC000565033289 388909947 /nfs/dbraw/zinc/90/99/47/388909947.db2.gz ACDZTPCLXRIDEG-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@](C)(O)C[NH2+]C ZINC000565095733 388913277 /nfs/dbraw/zinc/91/32/77/388913277.db2.gz PDPSTWRVBBSWAS-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210322 388926140 /nfs/dbraw/zinc/92/61/40/388926140.db2.gz UDOJVZXABBQYEU-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000305647400 388948122 /nfs/dbraw/zinc/94/81/22/388948122.db2.gz SMUXUIIQVWMRIO-RYUDHWBXSA-N 2 1 223.320 0.976 20 0 BCADMP C[C@H](O)[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000305647395 388948191 /nfs/dbraw/zinc/94/81/91/388948191.db2.gz SMUXUIIQVWMRIO-NWDGAFQWSA-N 2 1 223.320 0.976 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000565886988 388976809 /nfs/dbraw/zinc/97/68/09/388976809.db2.gz JBYXKUVAVRIJAO-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000335622813 533365540 /nfs/dbraw/zinc/36/55/40/533365540.db2.gz FPNRNZVRSSBWDG-OLZOCXBDSA-N 3 1 223.364 0.670 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000335622813 533365543 /nfs/dbraw/zinc/36/55/43/533365543.db2.gz FPNRNZVRSSBWDG-OLZOCXBDSA-N 3 1 223.364 0.670 20 0 BCADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400367314 533393723 /nfs/dbraw/zinc/39/37/23/533393723.db2.gz SEFZBOJMUSTQNM-CHWSQXEVSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000400386281 533407064 /nfs/dbraw/zinc/40/70/64/533407064.db2.gz LXCJVFZQFMASAX-MNOVXSKESA-N 2 1 208.309 0.613 20 0 BCADMP Cc1cc[nH+]c(N2CCC([NH2+]CCO)CC2)c1 ZINC000290885589 132217696 /nfs/dbraw/zinc/21/76/96/132217696.db2.gz CMEWQIRQKLVAJQ-UHFFFAOYSA-N 2 1 235.331 0.941 20 0 BCADMP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000372335947 132285801 /nfs/dbraw/zinc/28/58/01/132285801.db2.gz BUUPUDRUINOAMS-ZDUSSCGKSA-N 2 1 233.315 0.911 20 0 BCADMP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000372335947 132285802 /nfs/dbraw/zinc/28/58/02/132285802.db2.gz BUUPUDRUINOAMS-ZDUSSCGKSA-N 2 1 233.315 0.911 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335435884 133845583 /nfs/dbraw/zinc/84/55/83/133845583.db2.gz KMGCPBLQYBCKJE-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335970504 134029663 /nfs/dbraw/zinc/02/96/63/134029663.db2.gz ZFLRMJCSSLZFMJ-NWDGAFQWSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000335982040 134037967 /nfs/dbraw/zinc/03/79/67/134037967.db2.gz BWBOESHWXONPJR-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127630 134093522 /nfs/dbraw/zinc/09/35/22/134093522.db2.gz GAVWISNBIFVIQU-WPRPVWTQSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]([NH3+])CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336170599 134114735 /nfs/dbraw/zinc/11/47/35/134114735.db2.gz PGJSWCLANFUSSI-NXEZZACHSA-N 2 1 208.309 0.936 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000336175211 134116642 /nfs/dbraw/zinc/11/66/42/134116642.db2.gz ZWRLTDIWYJCYNU-AAEUAGOBSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000336212293 134135054 /nfs/dbraw/zinc/13/50/54/134135054.db2.gz KXXOBKCPDJSLGC-ZYHUDNBSSA-N 2 1 243.326 0.289 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553795 134248605 /nfs/dbraw/zinc/24/86/05/134248605.db2.gz MTQJOCFBGTUAOI-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553795 134248606 /nfs/dbraw/zinc/24/86/06/134248606.db2.gz MTQJOCFBGTUAOI-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000218868757 134265319 /nfs/dbraw/zinc/26/53/19/134265319.db2.gz KFNLIKCSVREANL-IUCAKERBSA-N 2 1 213.325 0.180 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218882842 134265636 /nfs/dbraw/zinc/26/56/36/134265636.db2.gz AOEJIMFSALFFOE-UWVGGRQHSA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747472 134310793 /nfs/dbraw/zinc/31/07/93/134310793.db2.gz ZYWYIHQFVNHRIW-VIFPVBQESA-N 2 1 211.309 0.030 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000178702699 134313400 /nfs/dbraw/zinc/31/34/00/134313400.db2.gz GPWUHCYHPQOWSA-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979343 134314313 /nfs/dbraw/zinc/31/43/13/134314313.db2.gz UFJRPAWHTQKHSN-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979343 134314314 /nfs/dbraw/zinc/31/43/14/134314314.db2.gz UFJRPAWHTQKHSN-AGIUHOORSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867311 134316247 /nfs/dbraw/zinc/31/62/47/134316247.db2.gz IRJGTILJGFOWAD-UMNHJUIQSA-N 2 1 237.347 0.480 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000221794863 134326294 /nfs/dbraw/zinc/32/62/94/134326294.db2.gz ZWTYIDXJACTUMZ-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)C[NH3+] ZINC000226407189 134365689 /nfs/dbraw/zinc/36/56/89/134365689.db2.gz LMZIIMPJBNVABW-UHFFFAOYSA-N 2 1 229.368 0.819 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000192969417 134956890 /nfs/dbraw/zinc/95/68/90/134956890.db2.gz DPPWVWYQPZZRBS-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248589833 135016129 /nfs/dbraw/zinc/01/61/29/135016129.db2.gz YZAFMBYKOWIVKU-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248589833 135016131 /nfs/dbraw/zinc/01/61/31/135016131.db2.gz YZAFMBYKOWIVKU-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250346532 135053138 /nfs/dbraw/zinc/05/31/38/135053138.db2.gz PZERZKBBEFDZJS-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2CCCNC2=O)CC[N@H+]1C ZINC000252165919 135085734 /nfs/dbraw/zinc/08/57/34/135085734.db2.gz QLWSMQFVIVBHBR-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CCN1C ZINC000252165919 135085736 /nfs/dbraw/zinc/08/57/36/135085736.db2.gz QLWSMQFVIVBHBR-MXWKQRLJSA-N 2 1 225.336 0.337 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252543135 135091667 /nfs/dbraw/zinc/09/16/67/135091667.db2.gz GRXKAPBOLWAQIC-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252543135 135091668 /nfs/dbraw/zinc/09/16/68/135091668.db2.gz GRXKAPBOLWAQIC-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP C[N@@H+](CCn1cccn1)CC(C)(C)C[NH3+] ZINC000086638090 135091804 /nfs/dbraw/zinc/09/18/04/135091804.db2.gz KHRGJQOPTCURJX-UHFFFAOYSA-N 2 1 210.325 0.800 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252542769 135091794 /nfs/dbraw/zinc/09/17/94/135091794.db2.gz GHJNSRFACDLRMX-FRRDWIJNSA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252542769 135091796 /nfs/dbraw/zinc/09/17/96/135091796.db2.gz GHJNSRFACDLRMX-FRRDWIJNSA-N 2 1 242.363 0.864 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702958 135095049 /nfs/dbraw/zinc/09/50/49/135095049.db2.gz KIULFVSRVMKPRU-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709995 135099492 /nfs/dbraw/zinc/09/94/92/135099492.db2.gz FJSLDWJPTWSGJU-UTUOFQBUSA-N 2 1 214.353 0.935 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712219 135099966 /nfs/dbraw/zinc/09/99/66/135099966.db2.gz LVOXDRIPWAIJOE-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252713997 135100031 /nfs/dbraw/zinc/10/00/31/135100031.db2.gz QTUFZHMCGZZYGY-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252713997 135100033 /nfs/dbraw/zinc/10/00/33/135100033.db2.gz QTUFZHMCGZZYGY-AVGNSLFASA-N 2 1 242.363 0.864 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252727050 135103093 /nfs/dbraw/zinc/10/30/93/135103093.db2.gz OHAYBIBSMIOKSK-CHWFTXMASA-N 2 1 227.352 0.569 20 0 BCADMP C[NH2+]CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086930511 135103250 /nfs/dbraw/zinc/10/32/50/135103250.db2.gz KHHJQBVMLQHXFZ-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCCO ZINC000252769202 135108855 /nfs/dbraw/zinc/10/88/55/135108855.db2.gz HJWWAFUBFJRFOT-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252773672 135108899 /nfs/dbraw/zinc/10/88/99/135108899.db2.gz MUFHGGSKWGXNLN-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252773672 135108901 /nfs/dbraw/zinc/10/89/01/135108901.db2.gz MUFHGGSKWGXNLN-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000252870033 135113891 /nfs/dbraw/zinc/11/38/91/135113891.db2.gz SEKHVCHGISJFOL-KXUCPTDWSA-N 2 1 213.325 0.038 20 0 BCADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252856005 135114204 /nfs/dbraw/zinc/11/42/04/135114204.db2.gz KNMWYYHRIHHEKP-OLZOCXBDSA-N 2 1 249.362 0.885 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000253158446 135122967 /nfs/dbraw/zinc/12/29/67/135122967.db2.gz RAEMDBDZAURNMP-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000253158446 135122969 /nfs/dbraw/zinc/12/29/69/135122969.db2.gz RAEMDBDZAURNMP-MNOVXSKESA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000253199109 135123782 /nfs/dbraw/zinc/12/37/82/135123782.db2.gz WDYGVAJVIUHNJG-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000253199109 135123783 /nfs/dbraw/zinc/12/37/83/135123783.db2.gz WDYGVAJVIUHNJG-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000253192685 135123837 /nfs/dbraw/zinc/12/38/37/135123837.db2.gz NNJDPDCFIGBVHE-IJLUTSLNSA-N 2 1 212.337 0.940 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2CC[NH3+])C[C@H](C)O1 ZINC000263086726 135124140 /nfs/dbraw/zinc/12/41/40/135124140.db2.gz XZOBSYCBVPBJNT-FRRDWIJNSA-N 2 1 241.379 0.519 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253202337 135124587 /nfs/dbraw/zinc/12/45/87/135124587.db2.gz YTBJIQMEKJBCIB-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH2+]CCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258791999 135134158 /nfs/dbraw/zinc/13/41/58/135134158.db2.gz MMMYMVXJXDZPPK-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257728808 135140872 /nfs/dbraw/zinc/14/08/72/135140872.db2.gz WSTMMRUMTGXMSA-ZDUSSCGKSA-N 2 1 234.347 0.914 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257728808 135140873 /nfs/dbraw/zinc/14/08/73/135140873.db2.gz WSTMMRUMTGXMSA-ZDUSSCGKSA-N 2 1 234.347 0.914 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261545707 135150120 /nfs/dbraw/zinc/15/01/20/135150120.db2.gz KERXZRKXILKGAW-WCBMZHEXSA-N 2 1 208.309 0.887 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530260 135157705 /nfs/dbraw/zinc/15/77/05/135157705.db2.gz CCXWOSVGSYBAKA-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261530956 135159275 /nfs/dbraw/zinc/15/92/75/135159275.db2.gz DQVCAQJQDKLCRB-QJPTWQEYSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261530956 135159277 /nfs/dbraw/zinc/15/92/77/135159277.db2.gz DQVCAQJQDKLCRB-QJPTWQEYSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261532383 135162472 /nfs/dbraw/zinc/16/24/72/135162472.db2.gz AHXWJBYBLMTZPR-CMPLNLGQSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261532383 135162474 /nfs/dbraw/zinc/16/24/74/135162474.db2.gz AHXWJBYBLMTZPR-CMPLNLGQSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)C1C[NH2+]C1 ZINC000261532667 135163631 /nfs/dbraw/zinc/16/36/31/135163631.db2.gz BYBNNXBHDUHYSS-ZJUUUORDSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)C1C[NH2+]C1 ZINC000261532667 135163633 /nfs/dbraw/zinc/16/36/33/135163633.db2.gz BYBNNXBHDUHYSS-ZJUUUORDSA-N 2 1 225.336 0.004 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)CC1(CO)CC1 ZINC000261533225 135164025 /nfs/dbraw/zinc/16/40/25/135164025.db2.gz AXQFRHRJRUBVPK-UHFFFAOYSA-N 2 1 212.337 0.690 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353391863 135166385 /nfs/dbraw/zinc/16/63/85/135166385.db2.gz DXKOAFQLPHJZEO-WRWGMCAJSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353391862 135166473 /nfs/dbraw/zinc/16/64/73/135166473.db2.gz DXKOAFQLPHJZEO-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261538975 135177112 /nfs/dbraw/zinc/17/71/12/135177112.db2.gz BGLMUBLQHABMDG-MRVPVSSYSA-N 2 1 223.267 0.214 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261541181 135180864 /nfs/dbraw/zinc/18/08/64/135180864.db2.gz ATSUFSOHBKLAOG-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000261551019 135190448 /nfs/dbraw/zinc/19/04/48/135190448.db2.gz LUDZPQCSBNOYPO-CYBMUJFWSA-N 2 1 234.347 0.648 20 0 BCADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000261560084 135200942 /nfs/dbraw/zinc/20/09/42/135200942.db2.gz ZNQDWDQWWIZDNI-PHIMTYICSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC1CC[NH2+]CC1 ZINC000261560084 135200944 /nfs/dbraw/zinc/20/09/44/135200944.db2.gz ZNQDWDQWWIZDNI-PHIMTYICSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560376 135201108 /nfs/dbraw/zinc/20/11/08/135201108.db2.gz ZULZKWFFQGOQOA-TUAOUCFPSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560115 135201146 /nfs/dbraw/zinc/20/11/46/135201146.db2.gz ZQHCJLDOZMRAKR-VXGBXAGGSA-N 2 1 212.337 0.690 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261568608 135210322 /nfs/dbraw/zinc/21/03/22/135210322.db2.gz FQKFSEFSLKHRCA-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261572002 135213822 /nfs/dbraw/zinc/21/38/22/135213822.db2.gz HYJUGLMDBHIESU-PSASIEDQSA-N 2 1 208.309 0.887 20 0 BCADMP [NH3+]CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000261575488 135216915 /nfs/dbraw/zinc/21/69/15/135216915.db2.gz JUQDZWCOIIMLGX-DGCLKSJQSA-N 2 1 223.364 0.894 20 0 BCADMP Cn1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000261576728 135218797 /nfs/dbraw/zinc/21/87/97/135218797.db2.gz NWDVCHOORJYAEY-ZDUSSCGKSA-N 2 1 249.362 0.779 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261582033 135222204 /nfs/dbraw/zinc/22/22/04/135222204.db2.gz NZJAYGHSDTYCEA-NSHDSACASA-N 2 1 223.324 0.210 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261582033 135222205 /nfs/dbraw/zinc/22/22/05/135222205.db2.gz NZJAYGHSDTYCEA-NSHDSACASA-N 2 1 223.324 0.210 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261584340 135225137 /nfs/dbraw/zinc/22/51/37/135225137.db2.gz PRJJMQSXTCHPBO-RYUDHWBXSA-N 2 1 220.320 0.424 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261584340 135225138 /nfs/dbraw/zinc/22/51/38/135225138.db2.gz PRJJMQSXTCHPBO-RYUDHWBXSA-N 2 1 220.320 0.424 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261586024 135227118 /nfs/dbraw/zinc/22/71/18/135227118.db2.gz QWFHGUHWHGVXBF-LLVKDONJSA-N 2 1 223.324 0.481 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261587301 135228649 /nfs/dbraw/zinc/22/86/49/135228649.db2.gz RQXCREYCOUGNCD-GZMMTYOYSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261587301 135228650 /nfs/dbraw/zinc/22/86/50/135228650.db2.gz RQXCREYCOUGNCD-GZMMTYOYSA-N 2 1 208.309 0.887 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261590492 135230914 /nfs/dbraw/zinc/23/09/14/135230914.db2.gz UOJZOHPRBMMCBS-LLVKDONJSA-N 2 1 223.324 0.339 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261590493 135231444 /nfs/dbraw/zinc/23/14/44/135231444.db2.gz UOJZOHPRBMMCBS-NSHDSACASA-N 2 1 223.324 0.339 20 0 BCADMP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC4CC[NH2+]CC4)[C@H]1[C@H]3C2 ZINC000261546530 135238802 /nfs/dbraw/zinc/23/88/02/135238802.db2.gz GWWQHPMUAFAXEY-HTVCTNPSSA-N 2 1 236.359 0.687 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000261546683 135239679 /nfs/dbraw/zinc/23/96/79/135239679.db2.gz LFLDXJXLCKOCOL-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547167 135240107 /nfs/dbraw/zinc/24/01/07/135240107.db2.gz LYOZCIQPKAIBEK-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000164401067 135240611 /nfs/dbraw/zinc/24/06/11/135240611.db2.gz DBFFMFZYTQKTGY-UHFFFAOYSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641475 135242869 /nfs/dbraw/zinc/24/28/69/135242869.db2.gz GJXNVXFLCHEJFT-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261700432 135246489 /nfs/dbraw/zinc/24/64/89/135246489.db2.gz LLGQFHPWPWMOGV-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751548 135249940 /nfs/dbraw/zinc/24/99/40/135249940.db2.gz CGINDCVJXNTSAR-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751548 135249941 /nfs/dbraw/zinc/24/99/41/135249941.db2.gz CGINDCVJXNTSAR-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@H+](CCN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261881889 135259751 /nfs/dbraw/zinc/25/97/51/135259751.db2.gz RDRWVIIASNFHJD-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261881889 135259752 /nfs/dbraw/zinc/25/97/52/135259752.db2.gz RDRWVIIASNFHJD-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880743 135260020 /nfs/dbraw/zinc/26/00/20/135260020.db2.gz QVNVSAPOYJOOKP-STQMWFEESA-N 2 1 237.347 0.198 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261900089 135260857 /nfs/dbraw/zinc/26/08/57/135260857.db2.gz YVSGLVHKLAHNFD-ATZCPNFKSA-N 2 1 225.336 0.323 20 0 BCADMP CC(=O)N1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261910131 135261751 /nfs/dbraw/zinc/26/17/51/135261751.db2.gz XWQDORIMJUFDLM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC(=O)N1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261910131 135261752 /nfs/dbraw/zinc/26/17/52/135261752.db2.gz XWQDORIMJUFDLM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261943116 135264754 /nfs/dbraw/zinc/26/47/54/135264754.db2.gz NVNCJDMYTLVMIH-UMNHJUIQSA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000261947433 135264909 /nfs/dbraw/zinc/26/49/09/135264909.db2.gz FPFXQTZMMPFXQY-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCOC[C@]12CCOC2 ZINC000261940652 135264947 /nfs/dbraw/zinc/26/49/47/135264947.db2.gz MPDIDOIFYJTPAT-CYBMUJFWSA-N 2 1 240.347 0.477 20 0 BCADMP COC(=O)[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000261982388 135269357 /nfs/dbraw/zinc/26/93/57/135269357.db2.gz RNDIDAAIFXENCP-NSHDSACASA-N 2 1 226.320 0.527 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262018221 135272948 /nfs/dbraw/zinc/27/29/48/135272948.db2.gz ACKNLJNAKHNLHF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CS(=O)(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262048630 135275654 /nfs/dbraw/zinc/27/56/54/135275654.db2.gz ZHSSZZGPJFCJJG-LLVKDONJSA-N 2 1 246.376 0.105 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000262049245 135276326 /nfs/dbraw/zinc/27/63/26/135276326.db2.gz UVRWCPIYCBODNB-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@]1(C[N@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064589 135276705 /nfs/dbraw/zinc/27/67/05/135276705.db2.gz RMLDTVJZYZRGLP-DGCLKSJQSA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH2+]C1 ZINC000262156159 135282851 /nfs/dbraw/zinc/28/28/51/135282851.db2.gz ANOLYWXRYDRYLV-NEPJUHHUSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000262215127 135285395 /nfs/dbraw/zinc/28/53/95/135285395.db2.gz LZSUVPZVYKPZHQ-UHFFFAOYSA-N 2 1 223.320 0.174 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262310247 135292354 /nfs/dbraw/zinc/29/23/54/135292354.db2.gz CUUIPRXGVNIRAA-MNOVXSKESA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000262322741 135293039 /nfs/dbraw/zinc/29/30/39/135293039.db2.gz FKAISXKLTYXEDR-UTUOFQBUSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC[NH+](C)C ZINC000342643201 135300673 /nfs/dbraw/zinc/30/06/73/135300673.db2.gz AGFJNJOVLUSCQO-UHFFFAOYSA-N 2 1 244.383 0.579 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722489 135314849 /nfs/dbraw/zinc/31/48/49/135314849.db2.gz TWASYOTXBRKRPT-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722491 135315067 /nfs/dbraw/zinc/31/50/67/135315067.db2.gz TWASYOTXBRKRPT-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000334294523 135341280 /nfs/dbraw/zinc/34/12/80/135341280.db2.gz TZUHMBIEZXKSNG-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293778 135344910 /nfs/dbraw/zinc/34/49/10/135344910.db2.gz MAJMXLGDRTYKQN-RYUDHWBXSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654723 136001672 /nfs/dbraw/zinc/00/16/72/136001672.db2.gz MHGYICLONDAWNK-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000335340446 136063763 /nfs/dbraw/zinc/06/37/63/136063763.db2.gz BZDCNYSHMBVXFT-NSHDSACASA-N 2 1 243.326 0.275 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335341498 136064397 /nfs/dbraw/zinc/06/43/97/136064397.db2.gz KHZZQIDVKVADGV-KOLCDFICSA-N 2 1 231.315 0.274 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335342240 136064696 /nfs/dbraw/zinc/06/46/96/136064696.db2.gz SHGBLGQWULCCAZ-ONGXEEELSA-N 2 1 231.315 0.002 20 0 BCADMP C[C@@H]1C[C@@H](C)[NH+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000335350703 136068787 /nfs/dbraw/zinc/06/87/87/136068787.db2.gz QYGBGPIKBRPKRA-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2C[NH2+]C2)C[C@@H]1C ZINC000335376917 136085843 /nfs/dbraw/zinc/08/58/43/136085843.db2.gz DOCWDMGALSNCBK-UWVGGRQHSA-N 2 1 240.351 0.082 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397743 136093094 /nfs/dbraw/zinc/09/30/94/136093094.db2.gz WURHIUAZDDAFPG-GHMZBOCLSA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000178814179 397803245 /nfs/dbraw/zinc/80/32/45/397803245.db2.gz PFISQAIHJLOXSU-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000257725143 397828134 /nfs/dbraw/zinc/82/81/34/397828134.db2.gz UFRIXOUISSHKGJ-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000356117159 397928581 /nfs/dbraw/zinc/92/85/81/397928581.db2.gz MPNAILFRKXBVPH-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCCCC1 ZINC000037872778 397966634 /nfs/dbraw/zinc/96/66/34/397966634.db2.gz IRYFZGUHRDVXDZ-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361219 397947744 /nfs/dbraw/zinc/94/77/44/397947744.db2.gz YZKCFKPIIMPVKR-UMNHJUIQSA-N 2 1 237.347 0.195 20 0 BCADMP CC[C@H](C[NH2+][C@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091767 397948494 /nfs/dbraw/zinc/94/84/94/397948494.db2.gz FOJKIUOYFCHOOL-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091765 397948638 /nfs/dbraw/zinc/94/86/38/397948638.db2.gz FOJKIUOYFCHOOL-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091762 397948676 /nfs/dbraw/zinc/94/86/76/397948676.db2.gz FOJKIUOYFCHOOL-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054133350 397903287 /nfs/dbraw/zinc/90/32/87/397903287.db2.gz AJBYAFPWFHMKST-LLVKDONJSA-N 2 1 215.341 0.572 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000054133002 397903751 /nfs/dbraw/zinc/90/37/51/397903751.db2.gz GWVGOIAEBJJJLM-VIFPVBQESA-N 2 1 201.314 0.038 20 0 BCADMP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000164489647 397998094 /nfs/dbraw/zinc/99/80/94/397998094.db2.gz OSBQGKSVLVAUIP-NXEZZACHSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164996007 398001765 /nfs/dbraw/zinc/00/17/65/398001765.db2.gz PYPCRECCRQFSHS-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953140 398009632 /nfs/dbraw/zinc/00/96/32/398009632.db2.gz DJZJXIBPBUQKTM-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000383194891 398010393 /nfs/dbraw/zinc/01/03/93/398010393.db2.gz VFRGEBJZMQYDSL-VHSXEESVSA-N 2 1 225.336 0.195 20 0 BCADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000373116032 398013917 /nfs/dbraw/zinc/01/39/17/398013917.db2.gz RBPNFVUTGHEIPO-SNVBAGLBSA-N 2 1 209.293 0.592 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000336730333 398018801 /nfs/dbraw/zinc/01/88/01/398018801.db2.gz XXMHMURLQNJCIJ-DMDPSCGWSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000336730333 398018802 /nfs/dbraw/zinc/01/88/02/398018802.db2.gz XXMHMURLQNJCIJ-DMDPSCGWSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000649744830 398083235 /nfs/dbraw/zinc/08/32/35/398083235.db2.gz OWGQKZXPQYEZCO-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000649744830 398083240 /nfs/dbraw/zinc/08/32/40/398083240.db2.gz OWGQKZXPQYEZCO-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H]1C[C@@H](O)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000649744830 398083243 /nfs/dbraw/zinc/08/32/43/398083243.db2.gz OWGQKZXPQYEZCO-FRRDWIJNSA-N 2 1 242.363 0.552 20 0 BCADMP Cc1cccc(N2CCC(NC(=O)C[NH3+])CC2)[nH+]1 ZINC000237679265 398112911 /nfs/dbraw/zinc/11/29/11/398112911.db2.gz SFUOCGYHZDBPIT-UHFFFAOYSA-N 2 1 248.330 0.434 20 0 BCADMP C[C@@H](C[NH3+])Nc1cc(NC2CC2)[nH+]cn1 ZINC000258680398 322874739 /nfs/dbraw/zinc/87/47/39/322874739.db2.gz PGEMVFZXUSCGGD-ZETCQYMHSA-N 2 1 207.281 0.810 20 0 BCADMP CC[N@@H+](CCNC(=O)CCCC[NH3+])C1CC1 ZINC000227833466 487559999 /nfs/dbraw/zinc/55/99/99/487559999.db2.gz QHMDCZRREJSHIJ-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]([NH2+]CCCc1ncn(C)n1)[C@@H]1CCC[NH2+]1 ZINC000647800487 487567352 /nfs/dbraw/zinc/56/73/52/487567352.db2.gz CAWQXHBZCPGRSZ-QWRGUYRKSA-N 2 1 237.351 0.478 20 0 BCADMP CC[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000086853079 487570216 /nfs/dbraw/zinc/57/02/16/487570216.db2.gz DRVZBWZSGDLQNM-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420021 487575655 /nfs/dbraw/zinc/57/56/55/487575655.db2.gz BLYNGCSNLAQYSU-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420021 487575660 /nfs/dbraw/zinc/57/56/60/487575660.db2.gz BLYNGCSNLAQYSU-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393762190 487580106 /nfs/dbraw/zinc/58/01/06/487580106.db2.gz OEVVNZOULWSLLP-TUAOUCFPSA-N 2 1 214.353 0.887 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393762190 487580111 /nfs/dbraw/zinc/58/01/11/487580111.db2.gz OEVVNZOULWSLLP-TUAOUCFPSA-N 2 1 214.353 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000393762190 487580114 /nfs/dbraw/zinc/58/01/14/487580114.db2.gz OEVVNZOULWSLLP-TUAOUCFPSA-N 2 1 214.353 0.887 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000393762190 487580118 /nfs/dbraw/zinc/58/01/18/487580118.db2.gz OEVVNZOULWSLLP-TUAOUCFPSA-N 2 1 214.353 0.887 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393762191 487580142 /nfs/dbraw/zinc/58/01/42/487580142.db2.gz OEVVNZOULWSLLP-UTUOFQBUSA-N 2 1 214.353 0.887 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393762191 487580144 /nfs/dbraw/zinc/58/01/44/487580144.db2.gz OEVVNZOULWSLLP-UTUOFQBUSA-N 2 1 214.353 0.887 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000082241615 487580282 /nfs/dbraw/zinc/58/02/82/487580282.db2.gz KZNYYFZAAXXEBY-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000082241656 487580799 /nfs/dbraw/zinc/58/07/99/487580799.db2.gz UMWGNOMXJPGYNW-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000669391380 487596500 /nfs/dbraw/zinc/59/65/00/487596500.db2.gz WAFGWGLJHZSWLW-DCAQKATOSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662266892 409569851 /nfs/dbraw/zinc/56/98/51/409569851.db2.gz QBOMEPHDPYRKOA-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662264794 409559427 /nfs/dbraw/zinc/55/94/27/409559427.db2.gz MFTOSJBHLHKKIK-HNGCFSAESA-N 2 1 242.363 0.863 20 0 BCADMP CN1CCC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662265728 409563367 /nfs/dbraw/zinc/56/33/67/409563367.db2.gz IBRMMQCGRPXFAO-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662265728 409563369 /nfs/dbraw/zinc/56/33/69/409563369.db2.gz IBRMMQCGRPXFAO-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP Cc1nocc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000662245166 409537615 /nfs/dbraw/zinc/53/76/15/409537615.db2.gz IEIMUFDFIVPIOZ-UHFFFAOYSA-N 2 1 238.335 0.320 20 0 BCADMP Cc1nocc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000662245166 409537622 /nfs/dbraw/zinc/53/76/22/409537622.db2.gz IEIMUFDFIVPIOZ-UHFFFAOYSA-N 2 1 238.335 0.320 20 0 BCADMP OCCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255105 409551887 /nfs/dbraw/zinc/55/18/87/409551887.db2.gz OOWIVJBSPHJTSP-LBPRGKRZSA-N 2 1 240.347 0.354 20 0 BCADMP OCCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255104 409553021 /nfs/dbraw/zinc/55/30/21/409553021.db2.gz OOWIVJBSPHJTSP-GFCCVEGCSA-N 2 1 240.347 0.354 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272878 409577160 /nfs/dbraw/zinc/57/71/60/409577160.db2.gz JOEWLSQZEHOJOB-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272878 409577168 /nfs/dbraw/zinc/57/71/68/409577168.db2.gz JOEWLSQZEHOJOB-JQWIXIFHSA-N 2 1 225.336 0.278 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC ZINC000662273208 409581024 /nfs/dbraw/zinc/58/10/24/409581024.db2.gz KGMFJKAGJMZWNQ-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC ZINC000662273209 409581151 /nfs/dbraw/zinc/58/11/51/409581151.db2.gz KGMFJKAGJMZWNQ-SDDRHHMPSA-N 2 1 228.336 0.332 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277203 409589115 /nfs/dbraw/zinc/58/91/15/409589115.db2.gz NGYXNFMNCRDPIB-MNOVXSKESA-N 3 1 241.379 0.470 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277207 409589642 /nfs/dbraw/zinc/58/96/42/409589642.db2.gz NGYXNFMNCRDPIB-WDEREUQCSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000662280894 409599904 /nfs/dbraw/zinc/59/99/04/409599904.db2.gz GWGCIFPWLORMLS-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000662280520 409600313 /nfs/dbraw/zinc/60/03/13/409600313.db2.gz FTVKAAYNXCBCIA-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000662280520 409600316 /nfs/dbraw/zinc/60/03/16/409600316.db2.gz FTVKAAYNXCBCIA-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)CC(F)(F)C[NH3+] ZINC000662603169 409778507 /nfs/dbraw/zinc/77/85/07/409778507.db2.gz UTMDQDNUQCAKJP-UHFFFAOYSA-N 2 1 223.267 0.166 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112894 409821516 /nfs/dbraw/zinc/82/15/16/409821516.db2.gz MFJVKUYQFMPUKA-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC(F)(F)C[NH3+] ZINC000653126981 409835639 /nfs/dbraw/zinc/83/56/39/409835639.db2.gz RMZKYWZHDHUVJJ-SFYZADRCSA-N 2 1 235.278 0.166 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130895 409847488 /nfs/dbraw/zinc/84/74/88/409847488.db2.gz JNESQOKURBMVJQ-BDAKNGLRSA-N 2 1 247.289 0.227 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000653133489 409852082 /nfs/dbraw/zinc/85/20/82/409852082.db2.gz MYALEWPESIJPPC-YUMQZZPRSA-N 2 1 235.278 0.357 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000653134348 409852125 /nfs/dbraw/zinc/85/21/25/409852125.db2.gz WFFIIUALDOFNGB-IUCAKERBSA-N 2 1 247.289 0.181 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000653134349 409852338 /nfs/dbraw/zinc/85/23/38/409852338.db2.gz WFFIIUALDOFNGB-RKDXNWHRSA-N 2 1 247.289 0.181 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623665 409795807 /nfs/dbraw/zinc/79/58/07/409795807.db2.gz ZOGIWTWRAARMEV-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC1([NH3+])CC1 ZINC000662791570 409921380 /nfs/dbraw/zinc/92/13/80/409921380.db2.gz JYCFSACJXGPOTJ-NSHDSACASA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662775449 409895370 /nfs/dbraw/zinc/89/53/70/409895370.db2.gz WFLQJDDDRNYXJD-LDWIPMOCSA-N 2 1 243.257 0.428 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971674 /nfs/dbraw/zinc/97/16/74/409971674.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971679 /nfs/dbraw/zinc/97/16/79/409971679.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971685 /nfs/dbraw/zinc/97/16/85/409971685.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971692 /nfs/dbraw/zinc/97/16/92/409971692.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839718 409948182 /nfs/dbraw/zinc/94/81/82/409948182.db2.gz UCGWOIOALRTGJO-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839434 409948820 /nfs/dbraw/zinc/94/88/20/409948820.db2.gz QPRWLDURWSQYMO-QJPTWQEYSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)CCC[NH3+] ZINC000653176095 410152241 /nfs/dbraw/zinc/15/22/41/410152241.db2.gz KACSAOXNNPFHRK-UHFFFAOYSA-N 2 1 229.368 0.819 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653222865 410171386 /nfs/dbraw/zinc/17/13/86/410171386.db2.gz SKAXSAONALUCFR-UHFFFAOYSA-N 2 1 235.278 0.216 20 0 BCADMP CC[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000309170555 410268167 /nfs/dbraw/zinc/26/81/67/410268167.db2.gz AFUMDKIOMGVQIX-GHMZBOCLSA-N 2 1 223.324 0.337 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000122379204 410292697 /nfs/dbraw/zinc/29/26/97/410292697.db2.gz AUZZKNPSSNWBPA-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000122379204 410292704 /nfs/dbraw/zinc/29/27/04/410292704.db2.gz AUZZKNPSSNWBPA-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453877 410315943 /nfs/dbraw/zinc/31/59/43/410315943.db2.gz RNXCDNARHDKXHB-WCBMZHEXSA-N 2 1 247.289 0.086 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655453878 410316054 /nfs/dbraw/zinc/31/60/54/410316054.db2.gz RNXCDNARHDKXHB-WPRPVWTQSA-N 2 1 247.289 0.086 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724767 410361437 /nfs/dbraw/zinc/36/14/37/410361437.db2.gz LXBQOUJTADYHNN-XQQFMLRXSA-N 3 1 241.379 0.696 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000650743660 410376787 /nfs/dbraw/zinc/37/67/87/410376787.db2.gz YLSQZOOGABVXDW-UKKRHICBSA-N 2 1 225.336 0.371 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000650742629 410376861 /nfs/dbraw/zinc/37/68/61/410376861.db2.gz AIYVHAQDHMZJAR-FQPOAREZSA-N 2 1 245.326 0.985 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000650743658 410378541 /nfs/dbraw/zinc/37/85/41/410378541.db2.gz YLSQZOOGABVXDW-CHWFTXMASA-N 2 1 225.336 0.371 20 0 BCADMP C[C@H](NCCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000650747667 410387887 /nfs/dbraw/zinc/38/78/87/410387887.db2.gz FKVWAQCYYNSSAQ-WDEREUQCSA-N 2 1 211.353 0.846 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000655463993 410651320 /nfs/dbraw/zinc/65/13/20/410651320.db2.gz BZLPFMOMDMJIPS-LBPRGKRZSA-N 2 1 243.326 0.289 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000309293792 410747354 /nfs/dbraw/zinc/74/73/54/410747354.db2.gz WNANZXDXAZDPDP-NSHDSACASA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)O ZINC000309293792 410747359 /nfs/dbraw/zinc/74/73/59/410747359.db2.gz WNANZXDXAZDPDP-NSHDSACASA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)O ZINC000309293792 410747367 /nfs/dbraw/zinc/74/73/67/410747367.db2.gz WNANZXDXAZDPDP-NSHDSACASA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)O ZINC000309293792 410747369 /nfs/dbraw/zinc/74/73/69/410747369.db2.gz WNANZXDXAZDPDP-NSHDSACASA-N 2 1 232.368 0.390 20 0 BCADMP CCc1cc(N[C@H](C)[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000394468064 410799833 /nfs/dbraw/zinc/79/98/33/410799833.db2.gz ASTBGDWZMHCOAI-JGVFFNPUSA-N 2 1 208.309 0.917 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673763 410885418 /nfs/dbraw/zinc/88/54/18/410885418.db2.gz KQCICCNIEJTDAY-JQWIXIFHSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673739 410886070 /nfs/dbraw/zinc/88/60/70/410886070.db2.gz BUGMXZPNYNZRFL-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673756 410886190 /nfs/dbraw/zinc/88/61/90/410886190.db2.gz SGDKZMXRRMPGRH-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673635 410882384 /nfs/dbraw/zinc/88/23/84/410882384.db2.gz SLDDHWCVFFIMCI-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000665297557 410819177 /nfs/dbraw/zinc/81/91/77/410819177.db2.gz IEFYUFQXGCBUJY-DTWKUNHWSA-N 2 1 213.325 0.241 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000309222515 410898174 /nfs/dbraw/zinc/89/81/74/410898174.db2.gz YOVULUROVXCTKM-SFYZADRCSA-N 2 1 235.278 0.179 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122316014 167053381 /nfs/dbraw/zinc/05/33/81/167053381.db2.gz SBZJTQPYHQCEMM-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122316014 167053384 /nfs/dbraw/zinc/05/33/84/167053384.db2.gz SBZJTQPYHQCEMM-NXEZZACHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[NH2+]C1CC[NH+](CCCO)CC1 ZINC000108367745 167095027 /nfs/dbraw/zinc/09/50/27/167095027.db2.gz KDWRIOFPXSDNMR-UHFFFAOYSA-N 2 1 200.326 0.831 20 0 BCADMP CC(C)[NH2+]CCN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062973825 167107295 /nfs/dbraw/zinc/10/72/95/167107295.db2.gz YPRAOXLJOARVAJ-ZDUSSCGKSA-N 2 1 241.379 0.391 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[C@@H](C)[NH3+] ZINC000399658219 411054451 /nfs/dbraw/zinc/05/44/51/411054451.db2.gz OUCZUWMAPFYJRY-WOPDTQHZSA-N 2 1 241.379 0.674 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661623330 411079159 /nfs/dbraw/zinc/07/91/59/411079159.db2.gz ZMKMYSIGPSKWHS-SRVKXCTJSA-N 2 1 244.379 0.248 20 0 BCADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000399190047 411023804 /nfs/dbraw/zinc/02/38/04/411023804.db2.gz YHHPDRHUHREULX-MNOVXSKESA-N 2 1 237.347 0.339 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726820 411140019 /nfs/dbraw/zinc/14/00/19/411140019.db2.gz BHRGUWZZGCNCMC-WCBMZHEXSA-N 2 1 211.309 0.077 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(CC)CO ZINC000653635650 411152347 /nfs/dbraw/zinc/15/23/47/411152347.db2.gz YBMKCIVMODACQG-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(CC)CO ZINC000653635650 411152352 /nfs/dbraw/zinc/15/23/52/411152352.db2.gz YBMKCIVMODACQG-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(CC)CO ZINC000653635650 411152356 /nfs/dbraw/zinc/15/23/56/411152356.db2.gz YBMKCIVMODACQG-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(CC)CO ZINC000653635650 411152361 /nfs/dbraw/zinc/15/23/61/411152361.db2.gz YBMKCIVMODACQG-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939767 411155629 /nfs/dbraw/zinc/15/56/29/411155629.db2.gz PTTBNOIXHHYVER-JGZJWPJOSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@@H+](CC[C@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000400590697 411158361 /nfs/dbraw/zinc/15/83/61/411158361.db2.gz ADTRNNCKQDAEKE-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@@H](O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000655949087 411161205 /nfs/dbraw/zinc/16/12/05/411161205.db2.gz MDZMOEMNMIFNIC-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)NCCC[NH3+] ZINC000652203756 411170545 /nfs/dbraw/zinc/17/05/45/411170545.db2.gz XANRYHTXPIYUQY-UHFFFAOYSA-N 2 1 244.383 0.612 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402916758 411176827 /nfs/dbraw/zinc/17/68/27/411176827.db2.gz GVDRKWRJJHDHLB-GVXVVHGQSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132955931 411177716 /nfs/dbraw/zinc/17/77/16/411177716.db2.gz MMOYFRJKGAWXFH-MXWKQRLJSA-N 2 1 227.352 0.569 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC1 ZINC000657973706 411184214 /nfs/dbraw/zinc/18/42/14/411184214.db2.gz HNOTXTODYDCPNL-NWDGAFQWSA-N 2 1 242.363 0.600 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000657973706 411184217 /nfs/dbraw/zinc/18/42/17/411184217.db2.gz HNOTXTODYDCPNL-NWDGAFQWSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCC1 ZINC000653695272 411187758 /nfs/dbraw/zinc/18/77/58/411187758.db2.gz HWDQBQNFSFCZRC-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCC1 ZINC000653695272 411187762 /nfs/dbraw/zinc/18/77/62/411187762.db2.gz HWDQBQNFSFCZRC-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CCC1 ZINC000653695272 411187765 /nfs/dbraw/zinc/18/77/65/411187765.db2.gz HWDQBQNFSFCZRC-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CCC1 ZINC000653695272 411187766 /nfs/dbraw/zinc/18/77/66/411187766.db2.gz HWDQBQNFSFCZRC-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757583 411188909 /nfs/dbraw/zinc/18/89/09/411188909.db2.gz JGVJRUIIHRIBGE-AAEUAGOBSA-N 2 1 242.363 0.864 20 0 BCADMP COCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000656155153 411189456 /nfs/dbraw/zinc/18/94/56/411189456.db2.gz KETFSQWAKDOSJT-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP COCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000656155153 411189457 /nfs/dbraw/zinc/18/94/57/411189457.db2.gz KETFSQWAKDOSJT-GFCCVEGCSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C1 ZINC000656193597 411198754 /nfs/dbraw/zinc/19/87/54/411198754.db2.gz OGHSECPBUUJNOP-GARJFASQSA-N 2 1 249.362 0.260 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000656193166 411199393 /nfs/dbraw/zinc/19/93/93/411199393.db2.gz WJCHGNPZGLXFAL-IJLUTSLNSA-N 3 1 211.353 0.988 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194179 411199597 /nfs/dbraw/zinc/19/95/97/411199597.db2.gz BSFNZJJPSPAKJV-ZYHUDNBSSA-N 2 1 212.337 0.831 20 0 BCADMP C1C[C@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@@H+]2C1 ZINC000310066877 411202281 /nfs/dbraw/zinc/20/22/81/411202281.db2.gz BTELLSHBTBNHKF-AAEUAGOBSA-N 2 1 240.347 0.618 20 0 BCADMP C1C[C@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@H+]2C1 ZINC000310066877 411202283 /nfs/dbraw/zinc/20/22/83/411202283.db2.gz BTELLSHBTBNHKF-AAEUAGOBSA-N 2 1 240.347 0.618 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000652337581 411204791 /nfs/dbraw/zinc/20/47/91/411204791.db2.gz WKZOECWNYJFEQK-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000652337581 411204793 /nfs/dbraw/zinc/20/47/93/411204793.db2.gz WKZOECWNYJFEQK-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CCC1 ZINC000652337967 411205000 /nfs/dbraw/zinc/20/50/00/411205000.db2.gz SNTUJGJDGCWXCV-NSHDSACASA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000652341539 411207058 /nfs/dbraw/zinc/20/70/58/411207058.db2.gz XPJFQJPCRPSFIO-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347018 411208960 /nfs/dbraw/zinc/20/89/60/411208960.db2.gz OFXUJESIWMJSBK-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000652353138 411211836 /nfs/dbraw/zinc/21/18/36/411211836.db2.gz GCSJPDVAVGQHGF-QWHCGFSZSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653904190 411218696 /nfs/dbraw/zinc/21/86/96/411218696.db2.gz OURLZMAWVAEQKU-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653904190 411218700 /nfs/dbraw/zinc/21/87/00/411218700.db2.gz OURLZMAWVAEQKU-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653904190 411218704 /nfs/dbraw/zinc/21/87/04/411218704.db2.gz OURLZMAWVAEQKU-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653904190 411218707 /nfs/dbraw/zinc/21/87/07/411218707.db2.gz OURLZMAWVAEQKU-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CO[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000393358758 411222060 /nfs/dbraw/zinc/22/20/60/411222060.db2.gz YLOFIPMYDZGMBT-QWHCGFSZSA-N 2 1 238.331 0.626 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000393358758 411222063 /nfs/dbraw/zinc/22/20/63/411222063.db2.gz YLOFIPMYDZGMBT-QWHCGFSZSA-N 2 1 238.331 0.626 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422884538 411233823 /nfs/dbraw/zinc/23/38/23/411233823.db2.gz XFYCVSAMCSYKIH-VXGBXAGGSA-N 2 1 213.369 0.914 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC(C)(C)O ZINC000310392542 411235385 /nfs/dbraw/zinc/23/53/85/411235385.db2.gz LGTXWDRFBWIWSP-LBPRGKRZSA-N 2 1 246.395 0.780 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC(C)(C)O ZINC000310392542 411235388 /nfs/dbraw/zinc/23/53/88/411235388.db2.gz LGTXWDRFBWIWSP-LBPRGKRZSA-N 2 1 246.395 0.780 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC(C)(C)O ZINC000310392542 411235393 /nfs/dbraw/zinc/23/53/93/411235393.db2.gz LGTXWDRFBWIWSP-LBPRGKRZSA-N 2 1 246.395 0.780 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)OC)[C@H](C)C1 ZINC000655787466 411236461 /nfs/dbraw/zinc/23/64/61/411236461.db2.gz WEKLEHODSRCPKP-FRRDWIJNSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000310528003 411239427 /nfs/dbraw/zinc/23/94/27/411239427.db2.gz NKNMNQLYUAEOJN-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000310528003 411239428 /nfs/dbraw/zinc/23/94/28/411239428.db2.gz NKNMNQLYUAEOJN-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCCC1 ZINC000310528003 411239431 /nfs/dbraw/zinc/23/94/31/411239431.db2.gz NKNMNQLYUAEOJN-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCCC1 ZINC000310528003 411239434 /nfs/dbraw/zinc/23/94/34/411239434.db2.gz NKNMNQLYUAEOJN-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000310567394 411240412 /nfs/dbraw/zinc/24/04/12/411240412.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCOC1 ZINC000402695966 411327619 /nfs/dbraw/zinc/32/76/19/411327619.db2.gz NESPZRYNOYZASX-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCOC1 ZINC000402695966 411327621 /nfs/dbraw/zinc/32/76/21/411327621.db2.gz NESPZRYNOYZASX-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H]1CCCOC1 ZINC000402695966 411327622 /nfs/dbraw/zinc/32/76/22/411327622.db2.gz NESPZRYNOYZASX-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H]1CCCOC1 ZINC000402695966 411327624 /nfs/dbraw/zinc/32/76/24/411327624.db2.gz NESPZRYNOYZASX-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000659636429 411271563 /nfs/dbraw/zinc/27/15/63/411271563.db2.gz LMVJIOCYHIXEHL-JTQLQIEISA-N 2 1 240.351 0.155 20 0 BCADMP C[C@@H](O)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716313 411271670 /nfs/dbraw/zinc/27/16/70/411271670.db2.gz ROOJJDVWDKJMFJ-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000150974363 411275540 /nfs/dbraw/zinc/27/55/40/411275540.db2.gz RTGNYXNMLKIXAX-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000659642165 411277791 /nfs/dbraw/zinc/27/77/91/411277791.db2.gz VVYUUFIPVBUMGW-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466400 411278226 /nfs/dbraw/zinc/27/82/26/411278226.db2.gz DMSTURSSQXGEBX-LLVKDONJSA-N 2 1 221.308 0.408 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H]1CNC1=[NH+]CCCN1 ZINC000656508556 411288656 /nfs/dbraw/zinc/28/86/56/411288656.db2.gz MRZYOKZMWANCAK-JTQLQIEISA-N 2 1 224.352 0.798 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401780808 411330142 /nfs/dbraw/zinc/33/01/42/411330142.db2.gz WDTRYEQURGJHPZ-QJPTWQEYSA-N 2 1 222.336 0.859 20 0 BCADMP CC(C)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309416452 411307239 /nfs/dbraw/zinc/30/72/39/411307239.db2.gz KWCDSOTWQQRUAX-RYUDHWBXSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309416452 411307242 /nfs/dbraw/zinc/30/72/42/411307242.db2.gz KWCDSOTWQQRUAX-RYUDHWBXSA-N 2 1 230.352 0.048 20 0 BCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000654007603 411311290 /nfs/dbraw/zinc/31/12/90/411311290.db2.gz BKQCLFHNDOAUKW-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000654007603 411311292 /nfs/dbraw/zinc/31/12/92/411311292.db2.gz BKQCLFHNDOAUKW-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000402932539 411322041 /nfs/dbraw/zinc/32/20/41/411322041.db2.gz KXKQEGLFNZSMJO-LOWVWBTDSA-N 2 1 237.347 0.278 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C[C@H]2C)CC[N@H+]1C ZINC000653444550 411256389 /nfs/dbraw/zinc/25/63/89/411256389.db2.gz QQMFKGSWCWEEOR-WISYIIOYSA-N 2 1 239.363 0.665 20 0 BCADMP c1c(CN2CC[NH2+]CC2)nnn1-c1cc[nH+]cc1 ZINC000656440154 411257325 /nfs/dbraw/zinc/25/73/25/411257325.db2.gz AWNVJVLZZMDTCW-UHFFFAOYSA-N 2 1 244.302 0.068 20 0 BCADMP CC[NH+]1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658351548 411354050 /nfs/dbraw/zinc/35/40/50/411354050.db2.gz NXYHAALTQKBNNO-UHFFFAOYSA-N 2 1 212.337 0.831 20 0 BCADMP c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C[NH2+]CC2 ZINC000656784769 411361825 /nfs/dbraw/zinc/36/18/25/411361825.db2.gz CFVABSWFDLRBQF-FICVDOATSA-N 3 1 243.354 0.640 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787212 411366358 /nfs/dbraw/zinc/36/63/58/411366358.db2.gz HBMWQRGFESRYEX-JTQLQIEISA-N 2 1 223.324 0.337 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787212 411366359 /nfs/dbraw/zinc/36/63/59/411366359.db2.gz HBMWQRGFESRYEX-JTQLQIEISA-N 2 1 223.324 0.337 20 0 BCADMP C[C@H](CN)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787059 411366593 /nfs/dbraw/zinc/36/65/93/411366593.db2.gz SKAIMWHPFOPFCY-SNVBAGLBSA-N 2 1 219.332 0.769 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662156158 411369396 /nfs/dbraw/zinc/36/93/96/411369396.db2.gz KPOFJGJENQZGEU-YPMHNXCESA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662156158 411369398 /nfs/dbraw/zinc/36/93/98/411369398.db2.gz KPOFJGJENQZGEU-YPMHNXCESA-N 2 1 242.363 0.552 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656791690 411371209 /nfs/dbraw/zinc/37/12/09/411371209.db2.gz IYGGKPWJSGSTBD-STQMWFEESA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661968289 411337221 /nfs/dbraw/zinc/33/72/21/411337221.db2.gz XBCWLNMNAVGJLQ-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661968289 411337223 /nfs/dbraw/zinc/33/72/23/411337223.db2.gz XBCWLNMNAVGJLQ-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968289 411337227 /nfs/dbraw/zinc/33/72/27/411337227.db2.gz XBCWLNMNAVGJLQ-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968289 411337230 /nfs/dbraw/zinc/33/72/30/411337230.db2.gz XBCWLNMNAVGJLQ-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP O[C@H](C[NH2+]CCC(F)(F)F)C[NH+]1CCCC1 ZINC000063100336 411340659 /nfs/dbraw/zinc/34/06/59/411340659.db2.gz MSVAOUHMUWPCBY-SECBINFHSA-N 2 1 240.269 0.985 20 0 BCADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848469 411340715 /nfs/dbraw/zinc/34/07/15/411340715.db2.gz AAZJYCXFODGAFJ-FRRDWIJNSA-N 2 1 224.348 0.953 20 0 BCADMP CC1(C)[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000335631081 168012702 /nfs/dbraw/zinc/01/27/02/168012702.db2.gz MKDOMMVEFXXFSP-TXEJJXNPSA-N 2 1 223.364 0.479 20 0 BCADMP CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309448641 411397235 /nfs/dbraw/zinc/39/72/35/411397235.db2.gz PODQJRVBRIVXIQ-NWDGAFQWSA-N 2 1 230.352 0.192 20 0 BCADMP CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309448641 411397239 /nfs/dbraw/zinc/39/72/39/411397239.db2.gz PODQJRVBRIVXIQ-NWDGAFQWSA-N 2 1 230.352 0.192 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000393747814 411397697 /nfs/dbraw/zinc/39/76/97/411397697.db2.gz OGTUBEIUCJMTIK-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000393747814 411397702 /nfs/dbraw/zinc/39/77/02/411397702.db2.gz OGTUBEIUCJMTIK-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000654480195 411403173 /nfs/dbraw/zinc/40/31/73/411403173.db2.gz RTAJQCKFFCHFBT-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659460318 411417472 /nfs/dbraw/zinc/41/74/72/411417472.db2.gz OAIJNDLMDOHOQH-AXFHLTTASA-N 2 1 242.367 0.376 20 0 BCADMP C[C@H]1CCC[N@H+](Cc2cnnn2C)[C@@H]1CC[NH3+] ZINC000405245183 411421597 /nfs/dbraw/zinc/42/15/97/411421597.db2.gz ZIBQQHOHGXTPMG-CMPLNLGQSA-N 2 1 237.351 0.764 20 0 BCADMP C[C@H]1CCC[N@@H+](Cc2cnnn2C)[C@@H]1CC[NH3+] ZINC000405245183 411421598 /nfs/dbraw/zinc/42/15/98/411421598.db2.gz ZIBQQHOHGXTPMG-CMPLNLGQSA-N 2 1 237.351 0.764 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653566729 411423492 /nfs/dbraw/zinc/42/34/92/411423492.db2.gz HMGLUCFNGJQXNG-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653566729 411423495 /nfs/dbraw/zinc/42/34/95/411423495.db2.gz HMGLUCFNGJQXNG-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000653566729 411423496 /nfs/dbraw/zinc/42/34/96/411423496.db2.gz HMGLUCFNGJQXNG-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000653566729 411423498 /nfs/dbraw/zinc/42/34/98/411423498.db2.gz HMGLUCFNGJQXNG-NEPJUHHUSA-N 2 1 230.352 0.002 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000654657278 411424085 /nfs/dbraw/zinc/42/40/85/411424085.db2.gz PFMSALIDVOJEBB-SNVBAGLBSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000122379409 411431495 /nfs/dbraw/zinc/43/14/95/411431495.db2.gz AUZZKNPSSNWBPA-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000122379409 411431497 /nfs/dbraw/zinc/43/14/97/411431497.db2.gz AUZZKNPSSNWBPA-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000654737318 411437762 /nfs/dbraw/zinc/43/77/62/411437762.db2.gz OAFPWVSDTGUINI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000654737318 411437765 /nfs/dbraw/zinc/43/77/65/411437765.db2.gz OAFPWVSDTGUINI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000654737318 411437767 /nfs/dbraw/zinc/43/77/67/411437767.db2.gz OAFPWVSDTGUINI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619048 411441130 /nfs/dbraw/zinc/44/11/30/411441130.db2.gz QSMPNUYFXPRVEX-PWSUYJOCSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609727 411441508 /nfs/dbraw/zinc/44/15/08/411441508.db2.gz LDGYRRLVVPXSAV-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051890082 411448863 /nfs/dbraw/zinc/44/88/63/411448863.db2.gz YGWCQQMEMLRYCI-GRYCIOLGSA-N 2 1 210.321 0.849 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051890082 411448867 /nfs/dbraw/zinc/44/88/67/411448867.db2.gz YGWCQQMEMLRYCI-GRYCIOLGSA-N 2 1 210.321 0.849 20 0 BCADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659514610 411467504 /nfs/dbraw/zinc/46/75/04/411467504.db2.gz LRBPLVPDGLOCCU-JTQLQIEISA-N 2 1 242.367 0.378 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000655051499 411485705 /nfs/dbraw/zinc/48/57/05/411485705.db2.gz DDOBNDQQWRPRPN-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000655051499 411485708 /nfs/dbraw/zinc/48/57/08/411485708.db2.gz DDOBNDQQWRPRPN-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000655051499 411485710 /nfs/dbraw/zinc/48/57/10/411485710.db2.gz DDOBNDQQWRPRPN-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000659909504 411495329 /nfs/dbraw/zinc/49/53/29/411495329.db2.gz VCJVAFJHNNXHMG-STQMWFEESA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@H](C)O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659909504 411495332 /nfs/dbraw/zinc/49/53/32/411495332.db2.gz VCJVAFJHNNXHMG-STQMWFEESA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@H](C)O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659909504 411495335 /nfs/dbraw/zinc/49/53/35/411495335.db2.gz VCJVAFJHNNXHMG-STQMWFEESA-N 2 1 246.395 0.779 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000659928498 411501990 /nfs/dbraw/zinc/50/19/90/411501990.db2.gz VJDNJBIBRYVODS-NEPJUHHUSA-N 2 1 230.352 0.531 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037643430 170007249 /nfs/dbraw/zinc/00/72/49/170007249.db2.gz LTJCCLCXRPBKSN-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC)C[C@H]1C ZINC000354210334 170009268 /nfs/dbraw/zinc/00/92/68/170009268.db2.gz SJSDPWWKIKVJNN-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC)C[C@H]1C ZINC000354210334 170009269 /nfs/dbraw/zinc/00/92/69/170009269.db2.gz SJSDPWWKIKVJNN-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040464015 170015861 /nfs/dbraw/zinc/01/58/61/170015861.db2.gz AWHNLYIRYMEVNU-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000309987100 170016054 /nfs/dbraw/zinc/01/60/54/170016054.db2.gz YUDCNVBFXCZKNR-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000037484302 170016104 /nfs/dbraw/zinc/01/61/04/170016104.db2.gz CKVPPVNLKDVPNN-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000037484302 170016105 /nfs/dbraw/zinc/01/61/05/170016105.db2.gz CKVPPVNLKDVPNN-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000336751315 170017137 /nfs/dbraw/zinc/01/71/37/170017137.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336751315 170017138 /nfs/dbraw/zinc/01/71/38/170017138.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336751315 170017140 /nfs/dbraw/zinc/01/71/40/170017140.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000336751315 170017141 /nfs/dbraw/zinc/01/71/41/170017141.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000336751315 170017142 /nfs/dbraw/zinc/01/71/42/170017142.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000358225809 170020222 /nfs/dbraw/zinc/02/02/22/170020222.db2.gz MRLOODQJKKJNHW-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](COC)OC)[C@H](C)C1 ZINC000358428911 170021321 /nfs/dbraw/zinc/02/13/21/170021321.db2.gz DWKKBHSVJCZMOF-UPJWGTAASA-N 2 1 244.379 0.968 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125614 170022928 /nfs/dbraw/zinc/02/29/28/170022928.db2.gz IEJIARDYXKEWNM-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCC[NH3+] ZINC000357081929 170024642 /nfs/dbraw/zinc/02/46/42/170024642.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOCC[NH3+] ZINC000357081929 170024644 /nfs/dbraw/zinc/02/46/44/170024644.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCOCC[NH3+] ZINC000357081929 170024646 /nfs/dbraw/zinc/02/46/46/170024646.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 2 1 241.379 0.520 20 0 BCADMP CC[N@H+]1C[C@H](NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000309053262 170034512 /nfs/dbraw/zinc/03/45/12/170034512.db2.gz SFKGDEPUQBCWCJ-SRVKXCTJSA-N 2 1 213.369 0.866 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366563053 170051257 /nfs/dbraw/zinc/05/12/57/170051257.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366563053 170051258 /nfs/dbraw/zinc/05/12/58/170051258.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366563053 170051261 /nfs/dbraw/zinc/05/12/61/170051261.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000042369468 170056855 /nfs/dbraw/zinc/05/68/55/170056855.db2.gz YSAOCJFDUMLSJZ-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645565 170060414 /nfs/dbraw/zinc/06/04/14/170060414.db2.gz SEGDWIYREPBKFQ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645565 170060417 /nfs/dbraw/zinc/06/04/17/170060417.db2.gz SEGDWIYREPBKFQ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000657543827 411547502 /nfs/dbraw/zinc/54/75/02/411547502.db2.gz NCZSFDBWMJQTRF-AAEUAGOBSA-N 2 1 242.363 0.722 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000042409179 170280161 /nfs/dbraw/zinc/28/01/61/170280161.db2.gz HLNLPRPWAKHWQI-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000042409179 170280162 /nfs/dbraw/zinc/28/01/62/170280162.db2.gz HLNLPRPWAKHWQI-NSHDSACASA-N 2 1 228.336 0.871 20 0 BCADMP CCOC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000309429577 170328968 /nfs/dbraw/zinc/32/89/68/170328968.db2.gz FWUIONIEYLLABX-HTAVTVPLSA-N 2 1 228.336 0.210 20 0 BCADMP CCOC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000309429577 170328971 /nfs/dbraw/zinc/32/89/71/170328971.db2.gz FWUIONIEYLLABX-HTAVTVPLSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657831058 411609268 /nfs/dbraw/zinc/60/92/68/411609268.db2.gz RCNWTOCBOZSIRZ-GFCCVEGCSA-N 2 1 239.367 0.987 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657842081 411610219 /nfs/dbraw/zinc/61/02/19/411610219.db2.gz TUWHFBAHOBWZOI-RYUDHWBXSA-N 2 1 237.351 0.598 20 0 BCADMP CCNC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652054 411613027 /nfs/dbraw/zinc/61/30/27/411613027.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cn1cncn1 ZINC000657865054 411613546 /nfs/dbraw/zinc/61/35/46/411613546.db2.gz UWOCKBJNQUOEOT-SNVBAGLBSA-N 2 1 234.307 0.461 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)CO ZINC000660658825 411613759 /nfs/dbraw/zinc/61/37/59/411613759.db2.gz USHNLWFNYHTIHM-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)CO ZINC000660658825 411613760 /nfs/dbraw/zinc/61/37/60/411613760.db2.gz USHNLWFNYHTIHM-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)CO ZINC000660658825 411613761 /nfs/dbraw/zinc/61/37/61/411613761.db2.gz USHNLWFNYHTIHM-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)CO ZINC000660658825 411613762 /nfs/dbraw/zinc/61/37/62/411613762.db2.gz USHNLWFNYHTIHM-NWDGAFQWSA-N 2 1 232.368 0.390 20 0 BCADMP CNC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656833 411614420 /nfs/dbraw/zinc/61/44/20/411614420.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656833 411614421 /nfs/dbraw/zinc/61/44/21/411614421.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656833 411614422 /nfs/dbraw/zinc/61/44/22/411614422.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CCOC1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000657874880 411614675 /nfs/dbraw/zinc/61/46/75/411614675.db2.gz BXZRDIKEUZOZJL-OTTFEQOBSA-N 2 1 244.379 0.846 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659376 411614781 /nfs/dbraw/zinc/61/47/81/411614781.db2.gz ORVPHAGNRNXCMI-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659376 411614783 /nfs/dbraw/zinc/61/47/83/411614783.db2.gz ORVPHAGNRNXCMI-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659376 411614784 /nfs/dbraw/zinc/61/47/84/411614784.db2.gz ORVPHAGNRNXCMI-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000660670424 411616445 /nfs/dbraw/zinc/61/64/45/411616445.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000660670424 411616446 /nfs/dbraw/zinc/61/64/46/411616446.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)CO ZINC000660670424 411616447 /nfs/dbraw/zinc/61/64/47/411616447.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 2 1 246.395 0.638 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000660670424 411616448 /nfs/dbraw/zinc/61/64/48/411616448.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 2 1 246.395 0.638 20 0 BCADMP C([N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494287 411673277 /nfs/dbraw/zinc/67/32/77/411673277.db2.gz NJAFIEPGRQASNG-BARDWOONSA-N 3 1 249.402 0.917 20 0 BCADMP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500221 411683019 /nfs/dbraw/zinc/68/30/19/411683019.db2.gz YZACKIRKRRFBEF-UPJWGTAASA-N 3 1 235.375 0.860 20 0 BCADMP Cc1ccc(NCCC[NH2+][C@H](C)[C@@H](C)O)[nH+]c1 ZINC000567684591 411689809 /nfs/dbraw/zinc/68/98/09/411689809.db2.gz MIXDLIKRDZNLME-VXGBXAGGSA-N 2 1 237.347 1.551 20 0 BCADMP Cc1ccc(NCCC[NH2+]C[C@@H](C)O)[nH+]c1 ZINC000644582787 411689898 /nfs/dbraw/zinc/68/98/98/411689898.db2.gz CKVUVDRFSHGJGA-LLVKDONJSA-N 2 1 223.320 1.162 20 0 BCADMP c1cc(N[C@@H]2CC[NH2+]C2)nc(N2CCOCC2)[nH+]1 ZINC000630547111 411701502 /nfs/dbraw/zinc/70/15/02/411701502.db2.gz DYXPWXAWWYQUGI-SNVBAGLBSA-N 2 1 249.318 0.087 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)s2)CC[NH2+]1 ZINC000516867310 411905120 /nfs/dbraw/zinc/90/51/20/411905120.db2.gz QHWWBUXKOSTZLQ-SFYZADRCSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N)s1 ZINC000381645284 411907564 /nfs/dbraw/zinc/90/75/64/411907564.db2.gz BLUGMHPWHPZWJW-HTQZYQBOSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N)s1 ZINC000381645284 411907569 /nfs/dbraw/zinc/90/75/69/411907569.db2.gz BLUGMHPWHPZWJW-HTQZYQBOSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647496295 411908687 /nfs/dbraw/zinc/90/86/87/411908687.db2.gz FAACIIMNDNIRGH-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647496295 411908693 /nfs/dbraw/zinc/90/86/93/411908693.db2.gz FAACIIMNDNIRGH-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647551709 411926770 /nfs/dbraw/zinc/92/67/70/411926770.db2.gz DYWWJDMDPPSSEX-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BCADMP CC(C)[C@@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641067795 411877650 /nfs/dbraw/zinc/87/76/50/411877650.db2.gz BAVWGOQIHPSGGA-GFCCVEGCSA-N 2 1 246.318 0.959 20 0 BCADMP C[N@H+](Cc1ccnc(N)c1)C1CC([NH3+])C1 ZINC000565658042 411881703 /nfs/dbraw/zinc/88/17/03/411881703.db2.gz JMSYEJXENGPQGJ-UHFFFAOYSA-N 2 1 206.293 0.585 20 0 BCADMP C[N@@H+](Cc1ccnc(N)c1)C1CC([NH3+])C1 ZINC000565658042 411881706 /nfs/dbraw/zinc/88/17/06/411881706.db2.gz JMSYEJXENGPQGJ-UHFFFAOYSA-N 2 1 206.293 0.585 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC2(COC2)C1 ZINC000662075138 411976906 /nfs/dbraw/zinc/97/69/06/411976906.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075138 411976917 /nfs/dbraw/zinc/97/69/17/411976917.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075138 411976921 /nfs/dbraw/zinc/97/69/21/411976921.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1(CO)COC1 ZINC000662174480 412019797 /nfs/dbraw/zinc/01/97/97/412019797.db2.gz CJMZCTSVJXTOMV-UHFFFAOYSA-N 2 1 244.379 0.705 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C ZINC000042588103 170897968 /nfs/dbraw/zinc/89/79/68/170897968.db2.gz DKRQVDUCRUPOLZ-GHMZBOCLSA-N 2 1 202.342 0.933 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001201 /nfs/dbraw/zinc/00/12/01/412001201.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001203 /nfs/dbraw/zinc/00/12/03/412001203.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001204 /nfs/dbraw/zinc/00/12/04/412001204.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150108 412009594 /nfs/dbraw/zinc/00/95/94/412009594.db2.gz UDESQOJSHRDGSA-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150108 412009598 /nfs/dbraw/zinc/00/95/98/412009598.db2.gz UDESQOJSHRDGSA-YPMHNXCESA-N 2 1 242.363 0.288 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH3+] ZINC000664721935 412014433 /nfs/dbraw/zinc/01/44/33/412014433.db2.gz WNSJZTPFAHULNH-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029886 411944102 /nfs/dbraw/zinc/94/41/02/411944102.db2.gz CMJHDUKRTXKOPM-RYUDHWBXSA-N 2 1 235.331 0.931 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000662244422 412039590 /nfs/dbraw/zinc/03/95/90/412039590.db2.gz QHGPPFRDGLRPEZ-JTQLQIEISA-N 2 1 206.293 0.566 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000662244422 412039593 /nfs/dbraw/zinc/03/95/93/412039593.db2.gz QHGPPFRDGLRPEZ-JTQLQIEISA-N 2 1 206.293 0.566 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc(C)n1 ZINC000662245981 412042532 /nfs/dbraw/zinc/04/25/32/412042532.db2.gz XNZFDYDTYJVMGT-LLVKDONJSA-N 2 1 220.320 0.874 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)nc(C)n1 ZINC000662245981 412042535 /nfs/dbraw/zinc/04/25/35/412042535.db2.gz XNZFDYDTYJVMGT-LLVKDONJSA-N 2 1 220.320 0.874 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662245988 412043849 /nfs/dbraw/zinc/04/38/49/412043849.db2.gz XNZFDYDTYJVMGT-NSHDSACASA-N 2 1 220.320 0.874 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662245988 412043850 /nfs/dbraw/zinc/04/38/50/412043850.db2.gz XNZFDYDTYJVMGT-NSHDSACASA-N 2 1 220.320 0.874 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247175 412045227 /nfs/dbraw/zinc/04/52/27/412045227.db2.gz USPHRLJEZHFKCW-RYUDHWBXSA-N 2 1 239.363 0.049 20 0 BCADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252890 412050296 /nfs/dbraw/zinc/05/02/96/412050296.db2.gz RBCOLDAPXSKGOJ-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254626 412050306 /nfs/dbraw/zinc/05/03/06/412050306.db2.gz QVVOCDWDHYXCID-QWRGUYRKSA-N 2 1 210.321 0.849 20 0 BCADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258986 412053219 /nfs/dbraw/zinc/05/32/19/412053219.db2.gz ZSGYUXFAIQESNV-MNOVXSKESA-N 2 1 226.320 0.228 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258985 412054565 /nfs/dbraw/zinc/05/45/65/412054565.db2.gz ZSGYUXFAIQESNV-GHMZBOCLSA-N 2 1 226.320 0.228 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000662265257 412055598 /nfs/dbraw/zinc/05/55/98/412055598.db2.gz OQVOIFKKPZBCPI-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)OC ZINC000662265550 412058224 /nfs/dbraw/zinc/05/82/24/412058224.db2.gz QXKRMOIVGLMIMP-DCAQKATOSA-N 2 1 216.325 0.317 20 0 BCADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](CN)C1CC1 ZINC000662272649 412063195 /nfs/dbraw/zinc/06/31/95/412063195.db2.gz HKNOYPGYDJQYOJ-NEPJUHHUSA-N 2 1 239.363 0.177 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](CN)C1CC1 ZINC000662272649 412063199 /nfs/dbraw/zinc/06/31/99/412063199.db2.gz HKNOYPGYDJQYOJ-NEPJUHHUSA-N 2 1 239.363 0.177 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000370767646 171099387 /nfs/dbraw/zinc/09/93/87/171099387.db2.gz VBWBZBCTJAYUKF-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC([NH3+])C1 ZINC000662272023 412064011 /nfs/dbraw/zinc/06/40/11/412064011.db2.gz BMZQLKDHSCFNEV-AMDVSUOASA-N 2 1 220.263 0.832 20 0 BCADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000042308391 171111315 /nfs/dbraw/zinc/11/13/15/171111315.db2.gz QYVQIHARHSVCMZ-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CCO1 ZINC000357956957 171120535 /nfs/dbraw/zinc/12/05/35/171120535.db2.gz HXELJSHFPHAZSR-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CCO1 ZINC000357956957 171120536 /nfs/dbraw/zinc/12/05/36/171120536.db2.gz HXELJSHFPHAZSR-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CCO1 ZINC000357956954 171130457 /nfs/dbraw/zinc/13/04/57/171130457.db2.gz HXELJSHFPHAZSR-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CCO1 ZINC000357956954 171130458 /nfs/dbraw/zinc/13/04/58/171130458.db2.gz HXELJSHFPHAZSR-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000353435642 171145801 /nfs/dbraw/zinc/14/58/01/171145801.db2.gz WWZZVHXPFZBMLO-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000353435642 171145803 /nfs/dbraw/zinc/14/58/03/171145803.db2.gz WWZZVHXPFZBMLO-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CC[C@@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276553 412069507 /nfs/dbraw/zinc/06/95/07/412069507.db2.gz KJMMHEYNGOIEGI-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276554 412069620 /nfs/dbraw/zinc/06/96/20/412069620.db2.gz KJMMHEYNGOIEGI-QWRGUYRKSA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)OC ZINC000662278495 412070862 /nfs/dbraw/zinc/07/08/62/412070862.db2.gz YNSPEEGNOLJSJC-ZJUUUORDSA-N 2 1 218.341 0.611 20 0 BCADMP CC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000190307500 171195984 /nfs/dbraw/zinc/19/59/84/171195984.db2.gz RQZUSXNEJRBHFY-VIFPVBQESA-N 2 1 235.278 0.229 20 0 BCADMP COC[C@@H](C[N@@H+]1CC2CCC1(C[NH3+])CC2)OC ZINC000662284978 412077244 /nfs/dbraw/zinc/07/72/44/412077244.db2.gz SQDJLAUVQVOHBV-OTTFEQOBSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@@H](C[N@H+]1CC2CCC1(C[NH3+])CC2)OC ZINC000662284978 412077248 /nfs/dbraw/zinc/07/72/48/412077248.db2.gz SQDJLAUVQVOHBV-OTTFEQOBSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282617 412072784 /nfs/dbraw/zinc/07/27/84/412072784.db2.gz PDQFWEYNNFHKQX-SRVKXCTJSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282622 412073776 /nfs/dbraw/zinc/07/37/76/412073776.db2.gz PDQFWEYNNFHKQX-WOPDTQHZSA-N 2 1 230.352 0.565 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265555249 171242491 /nfs/dbraw/zinc/24/24/91/171242491.db2.gz ZMVOHAXYLTYFHV-SNVBAGLBSA-N 2 1 236.319 0.853 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283292 412074573 /nfs/dbraw/zinc/07/45/73/412074573.db2.gz HCJVMMTZUNCUHU-IJLUTSLNSA-N 3 1 239.363 0.319 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283292 412074574 /nfs/dbraw/zinc/07/45/74/412074574.db2.gz HCJVMMTZUNCUHU-IJLUTSLNSA-N 2 1 239.363 0.319 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000077307737 171304866 /nfs/dbraw/zinc/30/48/66/171304866.db2.gz LCSCEMRTNIRTGB-VIFPVBQESA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000226397019 171307163 /nfs/dbraw/zinc/30/71/63/171307163.db2.gz SXFJMFSLBJKIIJ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)NC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000038013516 171322234 /nfs/dbraw/zinc/32/22/34/171322234.db2.gz FKYMUFXZTPKLDR-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251659475 171324670 /nfs/dbraw/zinc/32/46/70/171324670.db2.gz BRKPAXFSKWYIJV-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251659475 171324672 /nfs/dbraw/zinc/32/46/72/171324672.db2.gz BRKPAXFSKWYIJV-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540880 171324932 /nfs/dbraw/zinc/32/49/32/171324932.db2.gz CZDZAXUTUMIHSB-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540880 171324934 /nfs/dbraw/zinc/32/49/34/171324934.db2.gz CZDZAXUTUMIHSB-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228080263 171325389 /nfs/dbraw/zinc/32/53/89/171325389.db2.gz QIXFURBKYNCOHF-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228080263 171325390 /nfs/dbraw/zinc/32/53/90/171325390.db2.gz QIXFURBKYNCOHF-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285167 412078435 /nfs/dbraw/zinc/07/84/35/412078435.db2.gz YMWBPXUKUIJUJC-JQWIXIFHSA-N 2 1 240.347 0.353 20 0 BCADMP OCC1([NH2+]CC[C@@H]2CCC[NH2+]C2)CCNCC1 ZINC000662286839 412078631 /nfs/dbraw/zinc/07/86/31/412078631.db2.gz MWQWCRHFKUXNAB-LBPRGKRZSA-N 2 1 241.379 0.080 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503566 171370483 /nfs/dbraw/zinc/37/04/83/171370483.db2.gz SRCSQMGRXBSMRJ-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726677 171394976 /nfs/dbraw/zinc/39/49/76/171394976.db2.gz DBBJGEUQUUHWJV-UMNHJUIQSA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662390948 412141241 /nfs/dbraw/zinc/14/12/41/412141241.db2.gz UKVXOZJOOVZIST-VIFPVBQESA-N 2 1 229.230 0.040 20 0 BCADMP OCC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662299928 412086921 /nfs/dbraw/zinc/08/69/21/412086921.db2.gz ZWFFPWQJCUARKF-ZDUSSCGKSA-N 2 1 241.379 0.129 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1CCO ZINC000662302930 412088369 /nfs/dbraw/zinc/08/83/69/412088369.db2.gz QMLUUTBUZRWVHJ-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@@]12COC[C@]1(C)C[N@H+](CCOCC[NH3+])C2 ZINC000662301604 412089797 /nfs/dbraw/zinc/08/97/97/412089797.db2.gz FJCPNKDVDGGTMI-TXEJJXNPSA-N 2 1 228.336 0.320 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000662306249 412090522 /nfs/dbraw/zinc/09/05/22/412090522.db2.gz PPVTUFQRXJGJPB-VOMCLLRMSA-N 3 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000662306249 412090526 /nfs/dbraw/zinc/09/05/26/412090526.db2.gz PPVTUFQRXJGJPB-VOMCLLRMSA-N 2 1 209.337 0.409 20 0 BCADMP NCC12CC(C1)C[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000662306249 412090529 /nfs/dbraw/zinc/09/05/29/412090529.db2.gz PPVTUFQRXJGJPB-VOMCLLRMSA-N 2 1 209.337 0.409 20 0 BCADMP O=C(CC[N@H+]1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662314215 412095945 /nfs/dbraw/zinc/09/59/45/412095945.db2.gz BVKMGOZDTZADIH-RYUDHWBXSA-N 2 1 237.347 0.150 20 0 BCADMP O=C(CC[N@H+]1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662314217 412096870 /nfs/dbraw/zinc/09/68/70/412096870.db2.gz BVKMGOZDTZADIH-VXGBXAGGSA-N 2 1 237.347 0.150 20 0 BCADMP COC[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])OC ZINC000662314339 412097022 /nfs/dbraw/zinc/09/70/22/412097022.db2.gz FJEVYZGNEPULGV-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])OC ZINC000662314339 412097025 /nfs/dbraw/zinc/09/70/25/412097025.db2.gz FJEVYZGNEPULGV-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000662316674 412098085 /nfs/dbraw/zinc/09/80/85/412098085.db2.gz LUVPSGFEQKDTNP-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323364 412100293 /nfs/dbraw/zinc/10/02/93/412100293.db2.gz YXIWHADUBTWBEW-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322947 412101066 /nfs/dbraw/zinc/10/10/66/412101066.db2.gz JWOJEBBNQJSAPO-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](CO)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326023 412103251 /nfs/dbraw/zinc/10/32/51/412103251.db2.gz TXWYNAVTOWDUGV-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+](C)CCOC ZINC000662383376 412136153 /nfs/dbraw/zinc/13/61/53/412136153.db2.gz YXFJEZDDNAERGK-LLVKDONJSA-N 2 1 245.367 0.069 20 0 BCADMP C[C@@H]([NH2+]C/C=C\CO)c1c[nH+]ccc1N ZINC000665239121 412178849 /nfs/dbraw/zinc/17/88/49/412178849.db2.gz MFQVMMDUBPSXSL-PKRMOACSSA-N 2 1 207.277 0.693 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450733 412179450 /nfs/dbraw/zinc/17/94/50/412179450.db2.gz DNKIBMIVLAYNLI-GFCCVEGCSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000662457593 412181105 /nfs/dbraw/zinc/18/11/05/412181105.db2.gz AYJQHJGQHGPONG-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000665241609 412185594 /nfs/dbraw/zinc/18/55/94/412185594.db2.gz STSMDFUDXQTYRF-CYDGBPFRSA-N 2 1 223.364 0.811 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000662474100 412187528 /nfs/dbraw/zinc/18/75/28/412187528.db2.gz UCAQWJLEAIWFEK-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000662474101 412187855 /nfs/dbraw/zinc/18/78/55/412187855.db2.gz UCAQWJLEAIWFEK-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000662474231 412188591 /nfs/dbraw/zinc/18/85/91/412188591.db2.gz VUPQQLQWZMNQFA-OUAUKWLOSA-N 2 1 227.352 0.393 20 0 BCADMP CN(C)c1nc(NCC2=CC[N@H+](C)CC2)cc[nH+]1 ZINC000354576194 412201094 /nfs/dbraw/zinc/20/10/94/412201094.db2.gz LDQRBRAUZZOQIE-UHFFFAOYSA-N 2 1 247.346 1.216 20 0 BCADMP CN(C)c1nc(NCC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC000354576194 412201095 /nfs/dbraw/zinc/20/10/95/412201095.db2.gz LDQRBRAUZZOQIE-UHFFFAOYSA-N 2 1 247.346 1.216 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000665261652 412204119 /nfs/dbraw/zinc/20/41/19/412204119.db2.gz ISMGDEBDQAKIJV-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000662526199 412204911 /nfs/dbraw/zinc/20/49/11/412204911.db2.gz VBJXAFRSTIAQKK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662540392 412210562 /nfs/dbraw/zinc/21/05/62/412210562.db2.gz WBFCWKRCTLOPQU-MNOVXSKESA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662395631 412145480 /nfs/dbraw/zinc/14/54/80/412145480.db2.gz IUNDDARZKSZHTI-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000662410249 412154174 /nfs/dbraw/zinc/15/41/74/412154174.db2.gz XAHSIJZBPANNRD-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234826 412173589 /nfs/dbraw/zinc/17/35/89/412173589.db2.gz KOASPBMROSAGHJ-MROQNXINSA-N 2 1 242.363 0.768 20 0 BCADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234831 412173681 /nfs/dbraw/zinc/17/36/81/412173681.db2.gz KOASPBMROSAGHJ-ZDEQEGDKSA-N 2 1 242.363 0.768 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662653843 412258988 /nfs/dbraw/zinc/25/89/88/412258988.db2.gz YBULCMUVDUOAEW-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361981279 412265837 /nfs/dbraw/zinc/26/58/37/412265837.db2.gz NSVGBIZGKKKGFF-RYUDHWBXSA-N 2 1 249.362 0.818 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662680079 412268077 /nfs/dbraw/zinc/26/80/77/412268077.db2.gz FEKOSWKYMGUJGW-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662679873 412268485 /nfs/dbraw/zinc/26/84/85/412268485.db2.gz DBLKLONNYLPVHO-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000662678922 412268637 /nfs/dbraw/zinc/26/86/37/412268637.db2.gz KLQDMBQYHVVVDI-SRVKXCTJSA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679660 412268750 /nfs/dbraw/zinc/26/87/50/412268750.db2.gz SHGSHDNHEZNDNO-UHFFFAOYSA-N 2 1 225.336 0.276 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000662700368 412275459 /nfs/dbraw/zinc/27/54/59/412275459.db2.gz HTWURHFKBPGQDK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000662700369 412275737 /nfs/dbraw/zinc/27/57/37/412275737.db2.gz HTWURHFKBPGQDK-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000662703926 412276640 /nfs/dbraw/zinc/27/66/40/412276640.db2.gz WFTGHICWPNVIDQ-OPRDCNLKSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277951 412221607 /nfs/dbraw/zinc/22/16/07/412221607.db2.gz QGXBRQKYLRCHPI-VSUDMTKCSA-N 2 1 235.375 0.811 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000662567987 412222167 /nfs/dbraw/zinc/22/21/67/412222167.db2.gz OOPAHFHHSLGETQ-MWLCHTKSSA-N 2 1 231.315 0.144 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665283490 412229428 /nfs/dbraw/zinc/22/94/28/412229428.db2.gz OTHVHKQPKDQQPG-FRRDWIJNSA-N 2 1 243.395 0.716 20 0 BCADMP CC(C)[C@H](C(=O)N(C)Cc1cnc[nH]1)[C@@H](C)[NH3+] ZINC000662586173 412229739 /nfs/dbraw/zinc/22/97/39/412229739.db2.gz PZFSGAHTQUMVBI-KOLCDFICSA-N 2 1 238.335 0.988 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595258 412233542 /nfs/dbraw/zinc/23/35/42/412233542.db2.gz ZFTHYVAMAPJXOR-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000665296667 412242771 /nfs/dbraw/zinc/24/27/71/412242771.db2.gz WCJGXVKCNCGIJQ-GARJFASQSA-N 2 1 211.353 0.809 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000665296768 412244140 /nfs/dbraw/zinc/24/41/40/412244140.db2.gz XOFVKOIWYWJPSH-NHCYSSNCSA-N 2 1 211.353 0.667 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000665296767 412245372 /nfs/dbraw/zinc/24/53/72/412245372.db2.gz XOFVKOIWYWJPSH-JFGNBEQYSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794180 412305471 /nfs/dbraw/zinc/30/54/71/412305471.db2.gz PKZLTKSSINAYPB-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000662820797 412310631 /nfs/dbraw/zinc/31/06/31/412310631.db2.gz CSSRNROUAVZORT-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001683 412367043 /nfs/dbraw/zinc/36/70/43/412367043.db2.gz XPNNJAIVJOJJIL-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000662927380 412347834 /nfs/dbraw/zinc/34/78/34/412347834.db2.gz XIKNOEXCCUDIBF-IJLUTSLNSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000662747480 412289617 /nfs/dbraw/zinc/28/96/17/412289617.db2.gz ZAECHNOSKVOILM-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc[nH+]1 ZINC000662750581 412290996 /nfs/dbraw/zinc/29/09/96/412290996.db2.gz OEOOMDZDJXFFGS-KYZUINATSA-N 2 1 234.303 0.823 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999890 412366024 /nfs/dbraw/zinc/36/60/24/412366024.db2.gz CWHVKDUVLJZTTM-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794181 412304744 /nfs/dbraw/zinc/30/47/44/412304744.db2.gz PKZLTKSSINAYPB-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP CCn1nccc1CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000374758747 172261460 /nfs/dbraw/zinc/26/14/60/172261460.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1nccc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000374758747 172261462 /nfs/dbraw/zinc/26/14/62/172261462.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1nccc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000374758747 172261464 /nfs/dbraw/zinc/26/14/64/172261464.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 2 1 248.374 0.939 20 0 BCADMP CCn1nccc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000374758747 172261465 /nfs/dbraw/zinc/26/14/65/172261465.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 2 1 248.374 0.939 20 0 BCADMP CN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000070074168 172307777 /nfs/dbraw/zinc/30/77/77/172307777.db2.gz HBDNQSMOTYROIK-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000049305747 172307800 /nfs/dbraw/zinc/30/78/00/172307800.db2.gz VIIUUFJYRJCPSL-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000049305747 172307802 /nfs/dbraw/zinc/30/78/02/172307802.db2.gz VIIUUFJYRJCPSL-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000111380633 172308196 /nfs/dbraw/zinc/30/81/96/172308196.db2.gz CBMWJEHROACJLZ-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000111380633 172308197 /nfs/dbraw/zinc/30/81/97/172308197.db2.gz CBMWJEHROACJLZ-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335396314 172358304 /nfs/dbraw/zinc/35/83/04/172358304.db2.gz OLDKNSCAUOQKLO-TXEJJXNPSA-N 2 1 239.363 0.396 20 0 BCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037225247 172369872 /nfs/dbraw/zinc/36/98/72/172369872.db2.gz OJNFAZYTIRFDJZ-FGWVZKOKSA-N 2 1 225.336 0.289 20 0 BCADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037225247 172369874 /nfs/dbraw/zinc/36/98/74/172369874.db2.gz OJNFAZYTIRFDJZ-FGWVZKOKSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000041679537 172429079 /nfs/dbraw/zinc/42/90/79/172429079.db2.gz SBYPJKRFFFCBNF-VIFPVBQESA-N 2 1 231.365 0.107 20 0 BCADMP C[NH+]1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000308969843 172997673 /nfs/dbraw/zinc/99/76/73/172997673.db2.gz YMYYNKDYKZZYEH-VIFPVBQESA-N 2 1 222.279 0.686 20 0 BCADMP C[NH+]1CCC2(CCC[N@@H+](CCO)C2)CC1 ZINC000367199428 173003560 /nfs/dbraw/zinc/00/35/60/173003560.db2.gz JWVWBQRTAJNDQZ-UHFFFAOYSA-N 2 1 212.337 0.787 20 0 BCADMP C[N@@H+](CCC[NH3+])CCO[C@H]1CC1(F)F ZINC000662246873 487626265 /nfs/dbraw/zinc/62/62/65/487626265.db2.gz UOYGMZYFLDCGDJ-QMMMGPOBSA-N 2 1 208.252 0.691 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007343 /nfs/dbraw/zinc/00/73/43/173007343.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007345 /nfs/dbraw/zinc/00/73/45/173007345.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007347 /nfs/dbraw/zinc/00/73/47/173007347.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062889904 173011446 /nfs/dbraw/zinc/01/14/46/173011446.db2.gz RDWCHNQNNTYNHE-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040458972 173011823 /nfs/dbraw/zinc/01/18/23/173011823.db2.gz ZGIDMSTVWKIZHE-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062853039 173013693 /nfs/dbraw/zinc/01/36/93/173013693.db2.gz LMSYTDMQWROIPN-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000336595571 173014607 /nfs/dbraw/zinc/01/46/07/173014607.db2.gz XYXQKBYBSGSIQH-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000336595571 173014609 /nfs/dbraw/zinc/01/46/09/173014609.db2.gz XYXQKBYBSGSIQH-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000336595571 173014611 /nfs/dbraw/zinc/01/46/11/173014611.db2.gz XYXQKBYBSGSIQH-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171182 173021127 /nfs/dbraw/zinc/02/11/27/173021127.db2.gz SADCWKMZYUOLLO-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CCCO ZINC000305713809 173028518 /nfs/dbraw/zinc/02/85/18/173028518.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CCCO ZINC000305713809 173028520 /nfs/dbraw/zinc/02/85/20/173028520.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CCCO ZINC000305713809 173028523 /nfs/dbraw/zinc/02/85/23/173028523.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394197 173030208 /nfs/dbraw/zinc/03/02/08/173030208.db2.gz ZSVCAHBWXVUQEP-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394149 173030527 /nfs/dbraw/zinc/03/05/27/173030527.db2.gz VTXMPHHIWUZMGO-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO)CC[C@H]21 ZINC000227342756 173035968 /nfs/dbraw/zinc/03/59/68/173035968.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO)CC[C@H]21 ZINC000227342756 173035971 /nfs/dbraw/zinc/03/59/71/173035971.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC000227342756 173035973 /nfs/dbraw/zinc/03/59/73/173035973.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000129082434 173036666 /nfs/dbraw/zinc/03/66/66/173036666.db2.gz OEALRTFTRUVKTM-PWSUYJOCSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)CC(N)=O ZINC000309544290 173053481 /nfs/dbraw/zinc/05/34/81/173053481.db2.gz GNKGSSWNCHGUMN-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC[NH3+] ZINC000371262272 173059325 /nfs/dbraw/zinc/05/93/25/173059325.db2.gz JVWREWLLIIGHIJ-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061610561 173071807 /nfs/dbraw/zinc/07/18/07/173071807.db2.gz BFJZIMOBPIOKEM-CYBMUJFWSA-N 2 1 247.342 0.503 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000336615060 173110410 /nfs/dbraw/zinc/11/04/10/173110410.db2.gz HTTBKSRNHJGQBJ-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062893823 173116046 /nfs/dbraw/zinc/11/60/46/173116046.db2.gz ZVAOLTWXVQJDRG-JQWIXIFHSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC3OCCO3)[C@@H]2C1 ZINC000375249573 173131625 /nfs/dbraw/zinc/13/16/25/173131625.db2.gz QCAXEJIQHOSECW-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC3OCCO3)[C@@H]2C1 ZINC000375249573 173131626 /nfs/dbraw/zinc/13/16/26/173131626.db2.gz QCAXEJIQHOSECW-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC3OCCO3)[C@@H]2C1 ZINC000375249573 173131630 /nfs/dbraw/zinc/13/16/30/173131630.db2.gz QCAXEJIQHOSECW-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC3OCCO3)[C@@H]2C1 ZINC000375249573 173131632 /nfs/dbraw/zinc/13/16/32/173131632.db2.gz QCAXEJIQHOSECW-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340357707 173137440 /nfs/dbraw/zinc/13/74/40/173137440.db2.gz HOSGSLQJJQBPRS-CMPLNLGQSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340357707 173137442 /nfs/dbraw/zinc/13/74/42/173137442.db2.gz HOSGSLQJJQBPRS-CMPLNLGQSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334554681 173137918 /nfs/dbraw/zinc/13/79/18/173137918.db2.gz MJBFVSLFYGWPEL-CYBMUJFWSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334554681 173137921 /nfs/dbraw/zinc/13/79/21/173137921.db2.gz MJBFVSLFYGWPEL-CYBMUJFWSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000336762525 173139597 /nfs/dbraw/zinc/13/95/97/173139597.db2.gz LKWGEENRJHVATG-QWHCGFSZSA-N 2 1 224.348 0.999 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000336762525 173139599 /nfs/dbraw/zinc/13/95/99/173139599.db2.gz LKWGEENRJHVATG-QWHCGFSZSA-N 2 1 224.348 0.999 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037484884 173144773 /nfs/dbraw/zinc/14/47/73/173144773.db2.gz ZICKKKQUDXKDHB-GHMZBOCLSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062855960 173145015 /nfs/dbraw/zinc/14/50/15/173145015.db2.gz GLLMLBMRASTLMW-YPMHNXCESA-N 2 1 239.363 0.444 20 0 BCADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C)C1=O ZINC000336681356 173148939 /nfs/dbraw/zinc/14/89/39/173148939.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CN1CC[C@H]([N@@H+](C)CCn2ccnc2)C1=O ZINC000270894877 173149175 /nfs/dbraw/zinc/14/91/75/173149175.db2.gz PVQSDFDIBPKLFN-JTQLQIEISA-N 2 1 222.292 0.046 20 0 BCADMP CN(CCn1ccnc1)[C@H]1CCN(C)C1=O ZINC000270894877 173149177 /nfs/dbraw/zinc/14/91/77/173149177.db2.gz PVQSDFDIBPKLFN-JTQLQIEISA-N 2 1 222.292 0.046 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@@H]21 ZINC000368609471 173152811 /nfs/dbraw/zinc/15/28/11/173152811.db2.gz YMXZYHZFCVVZSR-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@H]21 ZINC000368609473 173153577 /nfs/dbraw/zinc/15/35/77/173153577.db2.gz YMXZYHZFCVVZSR-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC3OCCO3)[C@@H]2C1 ZINC000375249571 173161527 /nfs/dbraw/zinc/16/15/27/173161527.db2.gz QCAXEJIQHOSECW-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@H]2CC[NH+](CCC3OCCO3)[C@@H]2C1 ZINC000375249571 173161528 /nfs/dbraw/zinc/16/15/28/173161528.db2.gz QCAXEJIQHOSECW-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2CC[N@H+](CCC3OCCO3)[C@@H]2C1 ZINC000375249571 173161530 /nfs/dbraw/zinc/16/15/30/173161530.db2.gz QCAXEJIQHOSECW-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC3OCCO3)[C@@H]2C1 ZINC000375249571 173161531 /nfs/dbraw/zinc/16/15/31/173161531.db2.gz QCAXEJIQHOSECW-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340357708 173166111 /nfs/dbraw/zinc/16/61/11/173166111.db2.gz HOSGSLQJJQBPRS-JQWIXIFHSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340357708 173166112 /nfs/dbraw/zinc/16/61/12/173166112.db2.gz HOSGSLQJJQBPRS-JQWIXIFHSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOCCO)C2)C1 ZINC000368312607 173166553 /nfs/dbraw/zinc/16/65/53/173166553.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 2 1 228.336 0.023 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCOCCO)C2)C1 ZINC000368312607 173166556 /nfs/dbraw/zinc/16/65/56/173166556.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 2 1 228.336 0.023 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000368312607 173166558 /nfs/dbraw/zinc/16/65/58/173166558.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 2 1 228.336 0.023 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000368312607 173166561 /nfs/dbraw/zinc/16/65/61/173166561.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 2 1 228.336 0.023 20 0 BCADMP C[N@H+]1C[C@H]2CN(c3cc[nH+]cc3C(N)=O)C[C@H]2C1 ZINC000302858637 173199311 /nfs/dbraw/zinc/19/93/11/173199311.db2.gz NOWJSSXUYRHNSL-AOOOYVTPSA-N 2 1 246.314 0.178 20 0 BCADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]cc3C(N)=O)C[C@H]2C1 ZINC000302858637 173199315 /nfs/dbraw/zinc/19/93/15/173199315.db2.gz NOWJSSXUYRHNSL-AOOOYVTPSA-N 2 1 246.314 0.178 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000358020743 173242725 /nfs/dbraw/zinc/24/27/25/173242725.db2.gz GKBYVCNXYMEWBU-IJLUTSLNSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123619225 173249957 /nfs/dbraw/zinc/24/99/57/173249957.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123619225 173249960 /nfs/dbraw/zinc/24/99/60/173249960.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123619225 173249962 /nfs/dbraw/zinc/24/99/62/173249962.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123619225 173249965 /nfs/dbraw/zinc/24/99/65/173249965.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123619225 173249967 /nfs/dbraw/zinc/24/99/67/173249967.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108368826 173251785 /nfs/dbraw/zinc/25/17/85/173251785.db2.gz LEKFOTUFQUCGCS-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP CNC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000330519434 173268580 /nfs/dbraw/zinc/26/85/80/173268580.db2.gz KJIFJELDVQKXOJ-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000330519434 173268583 /nfs/dbraw/zinc/26/85/83/173268583.db2.gz KJIFJELDVQKXOJ-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336746277 173280422 /nfs/dbraw/zinc/28/04/22/173280422.db2.gz BCTCGNXIEBUYQK-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000309001514 173293545 /nfs/dbraw/zinc/29/35/45/173293545.db2.gz OFHIJOZKSUZNKK-QMMMGPOBSA-N 2 1 201.314 0.038 20 0 BCADMP C[NH2+]CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000336599111 173327096 /nfs/dbraw/zinc/32/70/96/173327096.db2.gz SKEKIAKEBVYOKV-UHFFFAOYSA-N 2 1 219.288 0.342 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000237234483 173330779 /nfs/dbraw/zinc/33/07/79/173330779.db2.gz KKBPYVYASSJUJX-NSHDSACASA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000367672360 173339192 /nfs/dbraw/zinc/33/91/92/173339192.db2.gz VZGUMSOKJRETHA-GFCCVEGCSA-N 2 1 248.330 0.164 20 0 BCADMP C[NH2+]CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000262258060 173340016 /nfs/dbraw/zinc/34/00/16/173340016.db2.gz UATZHIZVMWZILC-UHFFFAOYSA-N 2 1 233.315 0.732 20 0 BCADMP C[NH2+]CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455728 173340239 /nfs/dbraw/zinc/34/02/39/173340239.db2.gz DUCLRAKRNXEVCF-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357236260 173341335 /nfs/dbraw/zinc/34/13/35/173341335.db2.gz CLQZAKGSMHKXOP-VHSXEESVSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000043603848 173341623 /nfs/dbraw/zinc/34/16/23/173341623.db2.gz DJAVFUJTDGOVTR-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000237116981 173343094 /nfs/dbraw/zinc/34/30/94/173343094.db2.gz SUIYMEZWKVNYPX-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827029 173343845 /nfs/dbraw/zinc/34/38/45/173343845.db2.gz AKPIIJKYPDVIOK-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000237217297 173345339 /nfs/dbraw/zinc/34/53/39/173345339.db2.gz IQJZOSRFTMQQPE-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438677 173347378 /nfs/dbraw/zinc/34/73/78/173347378.db2.gz XQRVOPHSFSWGFJ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399307 173374144 /nfs/dbraw/zinc/37/41/44/173374144.db2.gz OXJOGNMJFLIZEY-VHSXEESVSA-N 2 1 227.352 0.441 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092134487 173374293 /nfs/dbraw/zinc/37/42/93/173374293.db2.gz JXKAFVKRFKGZIE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000261582710 173374355 /nfs/dbraw/zinc/37/43/55/173374355.db2.gz OOHADVJDQSCZAD-VIFPVBQESA-N 2 1 224.308 0.163 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000040601383 173379006 /nfs/dbraw/zinc/37/90/06/173379006.db2.gz JWROTNGSVGDZOI-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000040601383 173379009 /nfs/dbraw/zinc/37/90/09/173379009.db2.gz JWROTNGSVGDZOI-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000053034433 173382028 /nfs/dbraw/zinc/38/20/28/173382028.db2.gz SCPHTHGHNBNDLT-SNVBAGLBSA-N 2 1 208.309 0.461 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000053034433 173382030 /nfs/dbraw/zinc/38/20/30/173382030.db2.gz SCPHTHGHNBNDLT-SNVBAGLBSA-N 2 1 208.309 0.461 20 0 BCADMP COCCCOCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340707666 174254096 /nfs/dbraw/zinc/25/40/96/174254096.db2.gz ISXGTAYCGIPSJB-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309042742 174260910 /nfs/dbraw/zinc/26/09/10/174260910.db2.gz MEWRIQGJXGORHA-MNOVXSKESA-N 2 1 218.341 0.314 20 0 BCADMP COCC[N@H+](C)CCNC1CC[NH+](C)CC1 ZINC000061374937 174278073 /nfs/dbraw/zinc/27/80/73/174278073.db2.gz AUTIMDKEYVIROI-UHFFFAOYSA-N 2 1 229.368 0.248 20 0 BCADMP COCC[N@@H+](C)CCNC1CC[NH+](C)CC1 ZINC000061374937 174278075 /nfs/dbraw/zinc/27/80/75/174278075.db2.gz AUTIMDKEYVIROI-UHFFFAOYSA-N 2 1 229.368 0.248 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000360252886 174305252 /nfs/dbraw/zinc/30/52/52/174305252.db2.gz QZAQPCGWMUGGBZ-UHFFFAOYSA-N 2 1 242.363 0.602 20 0 BCADMP COCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371292670 174311099 /nfs/dbraw/zinc/31/10/99/174311099.db2.gz CUSVERRKUJRFTO-JHJVBQTASA-N 2 1 242.363 0.816 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122324463 174354833 /nfs/dbraw/zinc/35/48/33/174354833.db2.gz VAPYMSDQXMMPJF-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000383502755 487630922 /nfs/dbraw/zinc/63/09/22/487630922.db2.gz FNXPCZYVQXSRED-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000383502755 487630927 /nfs/dbraw/zinc/63/09/27/487630927.db2.gz FNXPCZYVQXSRED-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000383502755 487630935 /nfs/dbraw/zinc/63/09/35/487630935.db2.gz FNXPCZYVQXSRED-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000383502755 487630942 /nfs/dbraw/zinc/63/09/42/487630942.db2.gz FNXPCZYVQXSRED-QWHCGFSZSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H]1C(=O)NCC[N@H+]1CCCn1ccnc1 ZINC000183171691 176046764 /nfs/dbraw/zinc/04/67/64/176046764.db2.gz MKXYHNAPWZUWQH-SNVBAGLBSA-N 2 1 222.292 0.094 20 0 BCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH3+])C1 ZINC000237399327 176096454 /nfs/dbraw/zinc/09/64/54/176096454.db2.gz SUNWDXLOMJLERG-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000237400330 176099450 /nfs/dbraw/zinc/09/94/50/176099450.db2.gz YYUZBYGLQPNPIQ-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401320 176102929 /nfs/dbraw/zinc/10/29/29/176102929.db2.gz SVSRWUUKHTVIFT-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000216233517 176150604 /nfs/dbraw/zinc/15/06/04/176150604.db2.gz IVJSKILOIPFQBO-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775661 176171141 /nfs/dbraw/zinc/17/11/41/176171141.db2.gz HUYRFCGXIDPIQF-YPMHNXCESA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229090989 176180472 /nfs/dbraw/zinc/18/04/72/176180472.db2.gz YHGXQHWCEHSTGM-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229090989 176180473 /nfs/dbraw/zinc/18/04/73/176180473.db2.gz YHGXQHWCEHSTGM-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087619 176180993 /nfs/dbraw/zinc/18/09/93/176180993.db2.gz OHDKTMPFDNBLBX-MXWKQRLJSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000122053391 176233481 /nfs/dbraw/zinc/23/34/81/176233481.db2.gz PLIORIFTLVROHZ-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1[NH3+] ZINC000331438165 176250724 /nfs/dbraw/zinc/25/07/24/176250724.db2.gz GXIUZIMBLAXANQ-KOLCDFICSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310353754 176266856 /nfs/dbraw/zinc/26/68/56/176266856.db2.gz QEHAVJJDKOLIPP-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310353754 176266857 /nfs/dbraw/zinc/26/68/57/176266857.db2.gz QEHAVJJDKOLIPP-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310353754 176266858 /nfs/dbraw/zinc/26/68/58/176266858.db2.gz QEHAVJJDKOLIPP-YPMHNXCESA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000358113499 176268721 /nfs/dbraw/zinc/26/87/21/176268721.db2.gz SSWBFNVSIVCQBE-WOPDTQHZSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000358113499 176268722 /nfs/dbraw/zinc/26/87/22/176268722.db2.gz SSWBFNVSIVCQBE-WOPDTQHZSA-N 2 1 249.362 0.523 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000341889403 176271072 /nfs/dbraw/zinc/27/10/72/176271072.db2.gz RPKSFMHKWCQLCW-DGCLKSJQSA-N 2 1 234.347 0.949 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000341263505 176272761 /nfs/dbraw/zinc/27/27/61/176272761.db2.gz PFXXSYOKPXPWJY-UTUOFQBUSA-N 2 1 241.379 0.498 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000362615725 176276034 /nfs/dbraw/zinc/27/60/34/176276034.db2.gz JDIGBEVRYXCMIW-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000362615725 176276035 /nfs/dbraw/zinc/27/60/35/176276035.db2.gz JDIGBEVRYXCMIW-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000310184917 176279733 /nfs/dbraw/zinc/27/97/33/176279733.db2.gz YFKZHERDDMVSAV-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000061918637 176291242 /nfs/dbraw/zinc/29/12/42/176291242.db2.gz HYURQFOQTBFWNA-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251553600 176323520 /nfs/dbraw/zinc/32/35/20/176323520.db2.gz BJBZIUQQOFKTFN-PWSUYJOCSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000300129813 176359127 /nfs/dbraw/zinc/35/91/27/176359127.db2.gz ADBNJBKMMCRFDJ-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1C ZINC000126777177 176367837 /nfs/dbraw/zinc/36/78/37/176367837.db2.gz LZAILBQJFMQUNY-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1C ZINC000126777177 176367838 /nfs/dbraw/zinc/36/78/38/176367838.db2.gz LZAILBQJFMQUNY-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869595 176367860 /nfs/dbraw/zinc/36/78/60/176367860.db2.gz PMMKNUPFXMQKMH-QKEWWQLBSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869595 176367861 /nfs/dbraw/zinc/36/78/61/176367861.db2.gz PMMKNUPFXMQKMH-QKEWWQLBSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869595 176367862 /nfs/dbraw/zinc/36/78/62/176367862.db2.gz PMMKNUPFXMQKMH-QKEWWQLBSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000228659124 176367907 /nfs/dbraw/zinc/36/79/07/176367907.db2.gz KMSWJDVTJPBVCL-PWSUYJOCSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H](O)[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336703343 177009682 /nfs/dbraw/zinc/00/96/82/177009682.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336703343 177009684 /nfs/dbraw/zinc/00/96/84/177009684.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336703343 177009686 /nfs/dbraw/zinc/00/96/86/177009686.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336703343 177009687 /nfs/dbraw/zinc/00/96/87/177009687.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336703343 177009689 /nfs/dbraw/zinc/00/96/89/177009689.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336703343 177009690 /nfs/dbraw/zinc/00/96/90/177009690.db2.gz KMEUTIYJLBIVQM-DMDPSCGWSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000237509250 177074711 /nfs/dbraw/zinc/07/47/11/177074711.db2.gz BRTFEPKMAKJZLQ-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237574383 177096383 /nfs/dbraw/zinc/09/63/83/177096383.db2.gz KGLFRKHBXXZUCR-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336685042 177109482 /nfs/dbraw/zinc/10/94/82/177109482.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336685042 177109483 /nfs/dbraw/zinc/10/94/83/177109483.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336685042 177109485 /nfs/dbraw/zinc/10/94/85/177109485.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336685042 177109486 /nfs/dbraw/zinc/10/94/86/177109486.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000126064815 177175749 /nfs/dbraw/zinc/17/57/49/177175749.db2.gz YSGXBMQDMIIACC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1[NH3+] ZINC000331438176 177220489 /nfs/dbraw/zinc/22/04/89/177220489.db2.gz GXIUZIMBLAXANQ-ONGXEEELSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000335568626 177233365 /nfs/dbraw/zinc/23/33/65/177233365.db2.gz RESPYFVFTUMQAW-YUMQZZPRSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000335568626 177233367 /nfs/dbraw/zinc/23/33/67/177233367.db2.gz RESPYFVFTUMQAW-YUMQZZPRSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000362819321 177237244 /nfs/dbraw/zinc/23/72/44/177237244.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000362819321 177237245 /nfs/dbraw/zinc/23/72/45/177237245.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000362819321 177237246 /nfs/dbraw/zinc/23/72/46/177237246.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 1 222.292 0.224 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251683628 177256449 /nfs/dbraw/zinc/25/64/49/177256449.db2.gz HYGBVRCOYQCZPR-WDEREUQCSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227451086 177279614 /nfs/dbraw/zinc/27/96/14/177279614.db2.gz NDOSMRBBDMAYSP-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227451076 177280696 /nfs/dbraw/zinc/28/06/96/177280696.db2.gz NDOSMRBBDMAYSP-VWYCJHECSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000336780539 177295462 /nfs/dbraw/zinc/29/54/62/177295462.db2.gz RPJBMDRMNCFGBC-JQWIXIFHSA-N 2 1 223.320 0.977 20 0 BCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH3+] ZINC000246253053 177313094 /nfs/dbraw/zinc/31/30/94/177313094.db2.gz KBOGKBOGARESPI-AXFHLTTASA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000122295120 177324320 /nfs/dbraw/zinc/32/43/20/177324320.db2.gz ZFRNJLJPPWDPFY-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH3+])C[N@H+]1C1CC1 ZINC000331747660 177328324 /nfs/dbraw/zinc/32/83/24/177328324.db2.gz DVTVZQKHCJHVFT-VHSXEESVSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1C ZINC000132954924 177329651 /nfs/dbraw/zinc/32/96/51/177329651.db2.gz NNQNOGPJOOQIFP-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000132917577 177329881 /nfs/dbraw/zinc/32/98/81/177329881.db2.gz TVIMEBFVRVYYOQ-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)C)CC[N@@H+]1C ZINC000357725769 177364486 /nfs/dbraw/zinc/36/44/86/177364486.db2.gz CYDOHPAMKQEKQK-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)C)CC[N@H+]1C ZINC000357725769 177364488 /nfs/dbraw/zinc/36/44/88/177364488.db2.gz CYDOHPAMKQEKQK-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725769 177364490 /nfs/dbraw/zinc/36/44/90/177364490.db2.gz CYDOHPAMKQEKQK-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725769 177364493 /nfs/dbraw/zinc/36/44/93/177364493.db2.gz CYDOHPAMKQEKQK-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[N@H+]1C ZINC000132941328 177366828 /nfs/dbraw/zinc/36/68/28/177366828.db2.gz HTUDXGYCEJBVNO-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000383598913 487644770 /nfs/dbraw/zinc/64/47/70/487644770.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000383598913 487644776 /nfs/dbraw/zinc/64/47/76/487644776.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000383598913 487644782 /nfs/dbraw/zinc/64/47/82/487644782.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000383598910 487644831 /nfs/dbraw/zinc/64/48/31/487644831.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000383598910 487644835 /nfs/dbraw/zinc/64/48/35/487644835.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000383598910 487644839 /nfs/dbraw/zinc/64/48/39/487644839.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588060 487653665 /nfs/dbraw/zinc/65/36/65/487653665.db2.gz BUSCXLNTDSWUSB-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588390 487657130 /nfs/dbraw/zinc/65/71/30/487657130.db2.gz BUSCXLNTDSWUSB-WDEREUQCSA-N 2 1 244.383 0.753 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669589377 487660499 /nfs/dbraw/zinc/66/04/99/487660499.db2.gz GITSAWXUUIPVNJ-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP CNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397340158 262730515 /nfs/dbraw/zinc/73/05/15/262730515.db2.gz VKHSZLDUTJHWAQ-UTLUCORTSA-N 2 1 213.325 0.038 20 0 BCADMP CNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397340158 262730516 /nfs/dbraw/zinc/73/05/16/262730516.db2.gz VKHSZLDUTJHWAQ-UTLUCORTSA-N 2 1 213.325 0.038 20 0 BCADMP CCOCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000082537261 487664245 /nfs/dbraw/zinc/66/42/45/487664245.db2.gz OIYHXKPNVBOQGD-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP C[NH2+][C@@H]1CCN(CCCc2c[nH+]cn2C)C1 ZINC000314952908 487670040 /nfs/dbraw/zinc/67/00/40/487670040.db2.gz UIXHPBYBTUFTGW-LLVKDONJSA-N 2 1 222.336 0.646 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079621 262775454 /nfs/dbraw/zinc/77/54/54/262775454.db2.gz RGBJSPIUJZSCNR-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397482410 262926151 /nfs/dbraw/zinc/92/61/51/262926151.db2.gz PQQKYCZWJMYJPG-UTUOFQBUSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397482410 262926152 /nfs/dbraw/zinc/92/61/52/262926152.db2.gz PQQKYCZWJMYJPG-UTUOFQBUSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000669403343 487705091 /nfs/dbraw/zinc/70/50/91/487705091.db2.gz WADWGACERJHYNI-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403341 487705480 /nfs/dbraw/zinc/70/54/80/487705480.db2.gz VZEUACGBKRUULL-VHSXEESVSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403275 487705633 /nfs/dbraw/zinc/70/56/33/487705633.db2.gz QVVHTMINWHQHJV-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000669403129 487706005 /nfs/dbraw/zinc/70/60/05/487706005.db2.gz LEKQRVAKGIUZEN-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707120 /nfs/dbraw/zinc/70/71/20/487707120.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707128 /nfs/dbraw/zinc/70/71/28/487707128.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707133 /nfs/dbraw/zinc/70/71/33/487707133.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707140 /nfs/dbraw/zinc/70/71/40/487707140.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 2 1 230.352 0.143 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336714128 487721016 /nfs/dbraw/zinc/72/10/16/487721016.db2.gz VVOQXJQEHMYUTL-SRVKXCTJSA-N 2 1 212.337 0.953 20 0 BCADMP CC[N@@H+](CCO)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000681108860 487728097 /nfs/dbraw/zinc/72/80/97/487728097.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108860 487728102 /nfs/dbraw/zinc/72/81/02/487728102.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108860 487728109 /nfs/dbraw/zinc/72/81/09/487728109.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 1 243.395 0.373 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240996 487728419 /nfs/dbraw/zinc/72/84/19/487728419.db2.gz LFCLZMVLVCROBQ-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393987 487729031 /nfs/dbraw/zinc/72/90/31/487729031.db2.gz LULKURQZZRDSQR-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772222 487730708 /nfs/dbraw/zinc/73/07/08/487730708.db2.gz UNNRPXKBNHUFIZ-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000226399503 487734321 /nfs/dbraw/zinc/73/43/21/487734321.db2.gz JMOQNJYSCPWOTJ-DTWKUNHWSA-N 2 1 213.325 0.323 20 0 BCADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc[nH+]1 ZINC000649345115 487736597 /nfs/dbraw/zinc/73/65/97/487736597.db2.gz LBBLKWUPJXRVFM-IEBDPFPHSA-N 2 1 246.314 0.837 20 0 BCADMP CC(C)[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000310085802 487737988 /nfs/dbraw/zinc/73/79/88/487737988.db2.gz NIVBXLLKNGJBLY-UHFFFAOYSA-N 2 1 242.363 0.864 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454663 487741411 /nfs/dbraw/zinc/74/14/11/487741411.db2.gz AHRNZIAWHHVKHU-NEPJUHHUSA-N 2 1 214.353 0.935 20 0 BCADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438105 487745347 /nfs/dbraw/zinc/74/53/47/487745347.db2.gz UDSSFFXUTSTPSU-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCCO ZINC000384874190 487752337 /nfs/dbraw/zinc/75/23/37/487752337.db2.gz YDZQZJQVQGQVJB-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCO ZINC000384874190 487752340 /nfs/dbraw/zinc/75/23/40/487752340.db2.gz YDZQZJQVQGQVJB-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCCO ZINC000384874190 487752343 /nfs/dbraw/zinc/75/23/43/487752343.db2.gz YDZQZJQVQGQVJB-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCO ZINC000384874190 487752347 /nfs/dbraw/zinc/75/23/47/487752347.db2.gz YDZQZJQVQGQVJB-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921251 487753415 /nfs/dbraw/zinc/75/34/15/487753415.db2.gz ZQPOLFCTKLKHJP-MXWKQRLJSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921250 487753472 /nfs/dbraw/zinc/75/34/72/487753472.db2.gz ZQPOLFCTKLKHJP-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP CN(C)c1nc(N[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000082924388 487755228 /nfs/dbraw/zinc/75/52/28/487755228.db2.gz FWXKQQBBIMASFT-VIFPVBQESA-N 2 1 221.308 0.707 20 0 BCADMP CC(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401724163 487763326 /nfs/dbraw/zinc/76/33/26/487763326.db2.gz KUGDDPOLOYFDLV-GXFFZTMASA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251597285 487774776 /nfs/dbraw/zinc/77/47/76/487774776.db2.gz CXYSGKWJHJUDNK-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251597285 487774783 /nfs/dbraw/zinc/77/47/83/487774783.db2.gz CXYSGKWJHJUDNK-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000675785469 487778691 /nfs/dbraw/zinc/77/86/91/487778691.db2.gz PCMTVJBVWWJREX-LLVKDONJSA-N 2 1 237.351 0.741 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251805983 487800665 /nfs/dbraw/zinc/80/06/65/487800665.db2.gz OINJYCLZCVBJOR-KXUCPTDWSA-N 2 1 213.325 0.310 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251805983 487800669 /nfs/dbraw/zinc/80/06/69/487800669.db2.gz OINJYCLZCVBJOR-KXUCPTDWSA-N 2 1 213.325 0.310 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106757 487814352 /nfs/dbraw/zinc/81/43/52/487814352.db2.gz ZHYBRKKYFWNATC-DCAQKATOSA-N 2 1 225.336 0.337 20 0 BCADMP O=C1CC[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N1 ZINC000156107224 487814226 /nfs/dbraw/zinc/81/42/26/487814226.db2.gz YNZBRXZUEAXIPC-SRVKXCTJSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252601993 487826828 /nfs/dbraw/zinc/82/68/28/487826828.db2.gz MSELVWXEVJKPTG-HBNTYKKESA-N 2 1 225.336 0.052 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000252610434 487827621 /nfs/dbraw/zinc/82/76/21/487827621.db2.gz URTTUQPFZWOWER-TUAOUCFPSA-N 2 1 239.363 0.442 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C[C@H]1C[NH2+]CCO1 ZINC000252581760 487827201 /nfs/dbraw/zinc/82/72/01/487827201.db2.gz UANDYZQIPHZHPZ-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP Cc1[nH+]cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1C ZINC000668077072 487828137 /nfs/dbraw/zinc/82/81/37/487828137.db2.gz CVLXYYPMWNUHCH-TXEJJXNPSA-N 2 1 234.347 0.722 20 0 BCADMP Cc1[nH+]cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1C ZINC000668077072 487828143 /nfs/dbraw/zinc/82/81/43/487828143.db2.gz CVLXYYPMWNUHCH-TXEJJXNPSA-N 2 1 234.347 0.722 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000252850699 487835566 /nfs/dbraw/zinc/83/55/66/487835566.db2.gz HRQKSDOHEWQJQU-GUBZILKMSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494699593 528498773 /nfs/dbraw/zinc/49/87/73/528498773.db2.gz QJVWSSFZILVPQR-ADEWGFFLSA-N 2 1 239.363 0.569 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000494692930 528499149 /nfs/dbraw/zinc/49/91/49/528499149.db2.gz WGDRWWUYLKZHQC-CKYFFXLPSA-N 2 1 239.363 0.711 20 0 BCADMP NC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000212431189 487841972 /nfs/dbraw/zinc/84/19/72/487841972.db2.gz BHXQQZDKCQVVMW-UHFFFAOYSA-N 2 1 211.309 0.078 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666620269 487846282 /nfs/dbraw/zinc/84/62/82/487846282.db2.gz ZSGKUCXYTFNMJE-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1[nH+]cc(CN(C)CC[NH+](C)C)n1C ZINC000668156584 487855144 /nfs/dbraw/zinc/85/51/44/487855144.db2.gz UNWVWDBGLCZXNC-UHFFFAOYSA-N 2 1 210.325 0.722 20 0 BCADMP COC[C@H](C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000253131956 487856067 /nfs/dbraw/zinc/85/60/67/487856067.db2.gz WYJLEFROQKUZPN-OUAUKWLOSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000253131956 487856074 /nfs/dbraw/zinc/85/60/74/487856074.db2.gz WYJLEFROQKUZPN-OUAUKWLOSA-N 2 1 216.325 0.317 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000253150081 487856144 /nfs/dbraw/zinc/85/61/44/487856144.db2.gz DQODFOPTIOEVDE-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000226684629 487857476 /nfs/dbraw/zinc/85/74/76/487857476.db2.gz NHLOCQSWZPDVNU-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666689568 487861010 /nfs/dbraw/zinc/86/10/10/487861010.db2.gz HVIOGSGDSQDNIZ-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655514496 487887285 /nfs/dbraw/zinc/88/72/85/487887285.db2.gz RSPYZXOQZFAGGW-ZETCQYMHSA-N 2 1 241.257 0.334 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH3+])C1CC1 ZINC000669444473 487888968 /nfs/dbraw/zinc/88/89/68/487888968.db2.gz QXPXVUAOXDWXAK-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000652257671 487893892 /nfs/dbraw/zinc/89/38/92/487893892.db2.gz ZLSMRIMDKKTLFK-UKKRHICBSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000652257671 487893895 /nfs/dbraw/zinc/89/38/95/487893895.db2.gz ZLSMRIMDKKTLFK-UKKRHICBSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669451460 487896476 /nfs/dbraw/zinc/89/64/76/487896476.db2.gz HAXUPNLVWOZWKM-ZJUUUORDSA-N 2 1 230.356 0.363 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669451459 487896633 /nfs/dbraw/zinc/89/66/33/487896633.db2.gz HAXUPNLVWOZWKM-VHSXEESVSA-N 2 1 230.356 0.363 20 0 BCADMP CN(C)c1ncc(C[N@@H+](C)CC2CN(C)C2)cn1 ZINC000668540161 487906682 /nfs/dbraw/zinc/90/66/82/487906682.db2.gz YFXUKSWEXZMEOF-UHFFFAOYSA-N 2 1 249.362 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)O)C1 ZINC000582554316 487916317 /nfs/dbraw/zinc/91/63/17/487916317.db2.gz JQIAJSZTEKLHHI-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000582554316 487916319 /nfs/dbraw/zinc/91/63/19/487916319.db2.gz JQIAJSZTEKLHHI-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000582554316 487916322 /nfs/dbraw/zinc/91/63/22/487916322.db2.gz JQIAJSZTEKLHHI-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404294110 487916770 /nfs/dbraw/zinc/91/67/70/487916770.db2.gz MSFPYHLFPRKFHO-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404294107 487916798 /nfs/dbraw/zinc/91/67/98/487916798.db2.gz MSFPYHLFPRKFHO-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000157727302 487918642 /nfs/dbraw/zinc/91/86/42/487918642.db2.gz IEVOZWRWVGXTGM-QWRGUYRKSA-N 2 1 237.347 0.611 20 0 BCADMP CC[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000157893315 487928538 /nfs/dbraw/zinc/92/85/38/487928538.db2.gz UWXGOKHSKMCALC-RYUDHWBXSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000157893315 487928541 /nfs/dbraw/zinc/92/85/41/487928541.db2.gz UWXGOKHSKMCALC-RYUDHWBXSA-N 2 1 222.336 0.979 20 0 BCADMP COCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361401 487931837 /nfs/dbraw/zinc/93/18/37/487931837.db2.gz GNSAYYXQMDCZTH-XQQFMLRXSA-N 2 1 242.363 0.994 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364467 487934103 /nfs/dbraw/zinc/93/41/03/487934103.db2.gz RMSZYVJGZZYIJG-SECBINFHSA-N 2 1 220.263 0.693 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000383596257 487937134 /nfs/dbraw/zinc/93/71/34/487937134.db2.gz PDWQAXMQRAQROS-AVGNSLFASA-N 2 1 244.379 0.702 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474603 487937258 /nfs/dbraw/zinc/93/72/58/487937258.db2.gz ICEMYSMQWJPPKY-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479754 323017758 /nfs/dbraw/zinc/01/77/58/323017758.db2.gz LLDICWZQRXVMEI-WOPDTQHZSA-N 2 1 237.351 0.583 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489216 323021266 /nfs/dbraw/zinc/02/12/66/323021266.db2.gz YFHPTMYRXFFLMR-UTUOFQBUSA-N 2 1 241.379 0.770 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397252277 323038543 /nfs/dbraw/zinc/03/85/43/323038543.db2.gz DAGZRZMUYRSAAU-AXFHLTTASA-N 2 1 200.326 0.938 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@H](C)C1 ZINC000569738337 323039320 /nfs/dbraw/zinc/03/93/20/323039320.db2.gz AWDRMPHOTXHAPS-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000569738337 323039321 /nfs/dbraw/zinc/03/93/21/323039321.db2.gz AWDRMPHOTXHAPS-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP COCCC[N@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569745382 323039712 /nfs/dbraw/zinc/03/97/12/323039712.db2.gz UYDPKSGVZKUCIE-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569745382 323039713 /nfs/dbraw/zinc/03/97/13/323039713.db2.gz UYDPKSGVZKUCIE-QWHCGFSZSA-N 2 1 243.395 0.814 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572986550 323040047 /nfs/dbraw/zinc/04/00/47/323040047.db2.gz LCSALVYNLTUJQJ-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]1CN(CC[NH2+][C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046107 323048381 /nfs/dbraw/zinc/04/83/81/323048381.db2.gz QTNKTEZTUJOPAG-YPMHNXCESA-N 2 1 241.379 0.424 20 0 BCADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1CCCC[NH2+]1 ZINC000570199905 323052694 /nfs/dbraw/zinc/05/26/94/323052694.db2.gz FLDBZNHWNWKXDW-RNJOBUHISA-N 2 1 242.363 0.647 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1CCCC[NH2+]1 ZINC000570199903 323052708 /nfs/dbraw/zinc/05/27/08/323052708.db2.gz FLDBZNHWNWKXDW-NDBYEHHHSA-N 2 1 242.363 0.647 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570694571 323067606 /nfs/dbraw/zinc/06/76/06/323067606.db2.gz PNRXKZVKEHVTJS-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP CC(=O)NCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000570694571 323067607 /nfs/dbraw/zinc/06/76/07/323067607.db2.gz PNRXKZVKEHVTJS-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000570740067 323069234 /nfs/dbraw/zinc/06/92/34/323069234.db2.gz YKOXRINUVOJXIL-ZJUUUORDSA-N 2 1 238.335 0.552 20 0 BCADMP CC(C)[NH2+]CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000570918475 323074318 /nfs/dbraw/zinc/07/43/18/323074318.db2.gz PGJTZEDQVLDDFD-RYUDHWBXSA-N 2 1 213.369 0.914 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C1([NH3+])CCC1 ZINC000563064900 323083914 /nfs/dbraw/zinc/08/39/14/323083914.db2.gz KIVOVWAHXNWDTA-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000319240743 323084391 /nfs/dbraw/zinc/08/43/91/323084391.db2.gz WKHJCDGUXIPYHP-SRVKXCTJSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000567814857 323087441 /nfs/dbraw/zinc/08/74/41/323087441.db2.gz GLEJUOQFWKUOGI-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000040487105 323089885 /nfs/dbraw/zinc/08/98/85/323089885.db2.gz VCLGQFZCLYCOTD-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000563138111 323094951 /nfs/dbraw/zinc/09/49/51/323094951.db2.gz NHTWAPDLBJGXGA-WCFLWFBJSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000563138111 323094952 /nfs/dbraw/zinc/09/49/52/323094952.db2.gz NHTWAPDLBJGXGA-WCFLWFBJSA-N 2 1 242.363 0.192 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563152450 323095689 /nfs/dbraw/zinc/09/56/89/323095689.db2.gz ZUGARRMYLRFVDK-UPJWGTAASA-N 2 1 242.363 0.851 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000563337701 323119150 /nfs/dbraw/zinc/11/91/50/323119150.db2.gz YGNAKVFNNBLBOG-DTWKUNHWSA-N 2 1 249.305 0.604 20 0 BCADMP C[NH2+][C@H](C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000563412501 323124691 /nfs/dbraw/zinc/12/46/91/323124691.db2.gz FWPZHEXAHDALCT-SNVBAGLBSA-N 2 1 236.319 0.526 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000563535229 323129514 /nfs/dbraw/zinc/12/95/14/323129514.db2.gz PCBRCCUDEWIVCB-NSHDSACASA-N 2 1 231.315 0.146 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622003 323132007 /nfs/dbraw/zinc/13/20/07/323132007.db2.gz CBIPRZAJRSBBRG-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622003 323132008 /nfs/dbraw/zinc/13/20/08/323132008.db2.gz CBIPRZAJRSBBRG-UPJWGTAASA-N 3 1 223.364 0.527 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCS1 ZINC000563628263 323132515 /nfs/dbraw/zinc/13/25/15/323132515.db2.gz CMMTYLMRTODLHN-GHMZBOCLSA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCS1 ZINC000563628263 323132516 /nfs/dbraw/zinc/13/25/16/323132516.db2.gz CMMTYLMRTODLHN-GHMZBOCLSA-N 2 1 232.393 0.784 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635877 323132710 /nfs/dbraw/zinc/13/27/10/323132710.db2.gz MCLLDIDUOPKOKU-NEPJUHHUSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@@H+]1CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000571221319 323138242 /nfs/dbraw/zinc/13/82/42/323138242.db2.gz IPHMIVCVIHKAAC-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000571221319 323138243 /nfs/dbraw/zinc/13/82/43/323138243.db2.gz IPHMIVCVIHKAAC-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571297435 323140752 /nfs/dbraw/zinc/14/07/52/323140752.db2.gz MXAQNOBYEHZNOP-JGVFFNPUSA-N 2 1 207.268 0.440 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000571523988 323147392 /nfs/dbraw/zinc/14/73/92/323147392.db2.gz ROQJRDRVEZIYDE-CHWSQXEVSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@]1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900550 323151891 /nfs/dbraw/zinc/15/18/91/323151891.db2.gz DWBYTMOKSKSADM-OLZOCXBDSA-N 3 1 225.380 0.965 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+]C(C1CC1)C1CC1 ZINC000049234913 323159289 /nfs/dbraw/zinc/15/92/89/323159289.db2.gz MIJDHGOYMIGREN-NSHDSACASA-N 2 1 212.337 0.687 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000563708109 323174594 /nfs/dbraw/zinc/17/45/94/323174594.db2.gz QJRQUVUEIXCZNS-IJLUTSLNSA-N 2 1 228.336 0.474 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000563708109 323174595 /nfs/dbraw/zinc/17/45/95/323174595.db2.gz QJRQUVUEIXCZNS-IJLUTSLNSA-N 2 1 228.336 0.474 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000518941717 323188925 /nfs/dbraw/zinc/18/89/25/323188925.db2.gz YVXCZLCFZFHUOT-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000535824950 323192628 /nfs/dbraw/zinc/19/26/28/323192628.db2.gz RCCSDGMZGLJANH-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP CCOC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309032787 323197291 /nfs/dbraw/zinc/19/72/91/323197291.db2.gz FZERIEKPSZFZDS-SNVBAGLBSA-N 2 1 211.309 0.977 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178050 323205462 /nfs/dbraw/zinc/20/54/62/323205462.db2.gz NWDUCGUWQOJERD-QWRGUYRKSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000532515939 323272378 /nfs/dbraw/zinc/27/23/78/323272378.db2.gz VAWLQIRGWKPANP-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP CC1CC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309124447 323318211 /nfs/dbraw/zinc/31/82/11/323318211.db2.gz VTFVZIVOQQIKMV-CBINBANVSA-N 2 1 212.337 0.830 20 0 BCADMP CC1CC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309124447 323318214 /nfs/dbraw/zinc/31/82/14/323318214.db2.gz VTFVZIVOQQIKMV-CBINBANVSA-N 2 1 212.337 0.830 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CCCC[NH3+] ZINC000309244780 323334551 /nfs/dbraw/zinc/33/45/51/323334551.db2.gz XXORZIJQYXOAHU-UHFFFAOYSA-N 2 1 224.308 0.437 20 0 BCADMP CCOC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000309263800 323337504 /nfs/dbraw/zinc/33/75/04/323337504.db2.gz CKBYYIDLYKQLPJ-LLVKDONJSA-N 2 1 227.308 0.179 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C(C)C ZINC000309294458 323341234 /nfs/dbraw/zinc/34/12/34/323341234.db2.gz WRNRAYAHMTWOBV-RYUDHWBXSA-N 2 1 232.368 0.296 20 0 BCADMP [NH3+]Cc1nc(C(=O)NC[C@@H]([NH3+])C2CC2)cs1 ZINC000572119035 323542073 /nfs/dbraw/zinc/54/20/73/323542073.db2.gz FZOLVACYLUPUGI-SSDOTTSWSA-N 2 1 240.332 0.069 20 0 BCADMP Cc1[nH+]cc(CNC2CC([NH+](C)C)C2)n1C ZINC000572424898 323625893 /nfs/dbraw/zinc/62/58/93/323625893.db2.gz WYPYXKVJAFHOAO-UHFFFAOYSA-N 2 1 222.336 0.911 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[NH3+])C1 ZINC000083889430 487959855 /nfs/dbraw/zinc/95/98/55/487959855.db2.gz OXBNGOAVAARVKY-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP C[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527787336 323693894 /nfs/dbraw/zinc/69/38/94/323693894.db2.gz IEVBAVJJRSEUHA-UHFFFAOYSA-N 2 1 210.321 0.849 20 0 BCADMP COCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000158505080 487961164 /nfs/dbraw/zinc/96/11/64/487961164.db2.gz CJTPYWKQGHXYNK-UHFFFAOYSA-N 2 1 229.368 0.250 20 0 BCADMP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000520813064 324109976 /nfs/dbraw/zinc/10/99/76/324109976.db2.gz PJYTWWHYKQOEOA-UWVGGRQHSA-N 2 1 238.339 0.332 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000520813064 324109977 /nfs/dbraw/zinc/10/99/77/324109977.db2.gz PJYTWWHYKQOEOA-UWVGGRQHSA-N 2 1 238.339 0.332 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CO)[C@H](C)C1 ZINC000123309351 324221904 /nfs/dbraw/zinc/22/19/04/324221904.db2.gz BYPJZLPKGFKBCN-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000529492718 324313615 /nfs/dbraw/zinc/31/36/15/324313615.db2.gz PKVIHHOQWPBZFK-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000529492718 324313619 /nfs/dbraw/zinc/31/36/19/324313619.db2.gz PKVIHHOQWPBZFK-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913558 487966388 /nfs/dbraw/zinc/96/63/88/487966388.db2.gz PONUEABQBSHYSK-SECBINFHSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@@H+](CCNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000545157177 325180905 /nfs/dbraw/zinc/18/09/05/325180905.db2.gz CDTWQEUSZPZTDT-UHFFFAOYSA-N 2 1 234.303 0.109 20 0 BCADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000133697174 325310701 /nfs/dbraw/zinc/31/07/01/325310701.db2.gz LIKSHQMZLVBYJP-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637247 487969921 /nfs/dbraw/zinc/96/99/21/487969921.db2.gz RNIOBQQSIHGYID-IJLUTSLNSA-N 2 1 212.337 0.974 20 0 BCADMP CSC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000564844075 325815002 /nfs/dbraw/zinc/81/50/02/325815002.db2.gz IEMWQSLYADBPCK-NSHDSACASA-N 2 1 243.376 0.895 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000564845046 325815836 /nfs/dbraw/zinc/81/58/36/325815836.db2.gz QXFZPWWDMLSOGL-CMPLNLGQSA-N 2 1 241.335 0.425 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC12CCOCC2 ZINC000565344284 325898367 /nfs/dbraw/zinc/89/83/67/325898367.db2.gz WZKFRANCBNQNMV-RYUDHWBXSA-N 2 1 242.363 0.458 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566243065 326021525 /nfs/dbraw/zinc/02/15/25/326021525.db2.gz SGXUHJUMPZWIGY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566243065 326021527 /nfs/dbraw/zinc/02/15/27/326021527.db2.gz SGXUHJUMPZWIGY-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCn3cncc3C2)C1 ZINC000566452823 326050286 /nfs/dbraw/zinc/05/02/86/326050286.db2.gz PZVGQKKPNDBLKX-LLVKDONJSA-N 2 1 248.330 0.567 20 0 BCADMP Cc1cc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000566490153 326057416 /nfs/dbraw/zinc/05/74/16/326057416.db2.gz GPCRRRREENXQQB-MNOVXSKESA-N 2 1 246.314 0.138 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000566678753 326073666 /nfs/dbraw/zinc/07/36/66/326073666.db2.gz JLLMYQMDIYQLSH-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP COC[C@H]1CCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000567179849 326130750 /nfs/dbraw/zinc/13/07/50/326130750.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000567275527 326154726 /nfs/dbraw/zinc/15/47/26/326154726.db2.gz PCYMLEPBLIOMRM-CHWFTXMASA-N 2 1 237.347 0.465 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(N)s1 ZINC000309816883 326169746 /nfs/dbraw/zinc/16/97/46/326169746.db2.gz VKTQRAOGENWASG-HTQZYQBOSA-N 2 1 226.349 0.894 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000155671945 326206633 /nfs/dbraw/zinc/20/66/33/326206633.db2.gz SGJIBCANTVMYQU-LBPRGKRZSA-N 2 1 241.379 0.642 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CCCO1 ZINC000313349206 326263910 /nfs/dbraw/zinc/26/39/10/326263910.db2.gz LLPAAIZVDDVYRB-YNEHKIRRSA-N 2 1 242.363 0.587 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CCCC[NH3+])CC[N@H+]1C ZINC000157876373 326298941 /nfs/dbraw/zinc/29/89/41/326298941.db2.gz MLPBAVRJPGXXPH-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000158305982 326315194 /nfs/dbraw/zinc/31/51/94/326315194.db2.gz DPADAZYLGXCWQD-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000158305982 326315195 /nfs/dbraw/zinc/31/51/95/326315195.db2.gz DPADAZYLGXCWQD-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000568208023 326326255 /nfs/dbraw/zinc/32/62/55/326326255.db2.gz SDGRNJNBQVTZJQ-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158657002 326335632 /nfs/dbraw/zinc/33/56/32/326335632.db2.gz AGQBJCSMCKNRAW-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158657002 326335633 /nfs/dbraw/zinc/33/56/33/326335633.db2.gz AGQBJCSMCKNRAW-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158657002 326335635 /nfs/dbraw/zinc/33/56/35/326335635.db2.gz AGQBJCSMCKNRAW-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000568982426 326384576 /nfs/dbraw/zinc/38/45/76/326384576.db2.gz XYVMNQDFSIFQBP-BQBZGAKWSA-N 2 1 238.282 0.005 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000569230407 326395286 /nfs/dbraw/zinc/39/52/86/326395286.db2.gz WNBNJEXCSGXQDN-NOOOWODRSA-N 2 1 241.379 0.768 20 0 BCADMP CC[N@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000677191793 487994135 /nfs/dbraw/zinc/99/41/35/487994135.db2.gz LHIUOCHKWOGOKS-SNVBAGLBSA-N 2 1 208.309 0.936 20 0 BCADMP CC[N@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000677191792 487995257 /nfs/dbraw/zinc/99/52/57/487995257.db2.gz LHIUOCHKWOGOKS-JTQLQIEISA-N 2 1 208.309 0.936 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000147430588 488019603 /nfs/dbraw/zinc/01/96/03/488019603.db2.gz DTDSHGXQDVSXRB-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147475505 488027763 /nfs/dbraw/zinc/02/77/63/488027763.db2.gz HQFUBBMFZHMTJI-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147475505 488027768 /nfs/dbraw/zinc/02/77/68/488027768.db2.gz HQFUBBMFZHMTJI-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147485721 488029450 /nfs/dbraw/zinc/02/94/50/488029450.db2.gz CXYSGKWJHJUDNK-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147485721 488029454 /nfs/dbraw/zinc/02/94/54/488029454.db2.gz CXYSGKWJHJUDNK-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000084166804 488031470 /nfs/dbraw/zinc/03/14/70/488031470.db2.gz IXIHMSBWESZINM-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000310499354 488033546 /nfs/dbraw/zinc/03/35/46/488033546.db2.gz HMXQXMLUZWTKMO-XQQFMLRXSA-N 2 1 244.379 0.845 20 0 BCADMP Cc1ccncc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000135499598 488037864 /nfs/dbraw/zinc/03/78/64/488037864.db2.gz FLBNLZAEGCIBNX-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663496479 488045754 /nfs/dbraw/zinc/04/57/54/488045754.db2.gz GSTBFAJFDSTNAD-ITGHMWBKSA-N 3 1 237.391 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663496479 488045760 /nfs/dbraw/zinc/04/57/60/488045760.db2.gz GSTBFAJFDSTNAD-ITGHMWBKSA-N 3 1 237.391 0.901 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382619 488048122 /nfs/dbraw/zinc/04/81/22/488048122.db2.gz FZSMXPNFUIHNHQ-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491125 488052360 /nfs/dbraw/zinc/05/23/60/488052360.db2.gz MPZVWGPWMMMPKE-ONGXEEELSA-N 2 1 240.351 0.117 20 0 BCADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892487 488057293 /nfs/dbraw/zinc/05/72/93/488057293.db2.gz QXSNIULZLOPVJB-OUAUKWLOSA-N 2 1 210.321 0.705 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000309215462 488059454 /nfs/dbraw/zinc/05/94/54/488059454.db2.gz FLZTZJPIWIIGAU-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000309215462 488059457 /nfs/dbraw/zinc/05/94/57/488059457.db2.gz FLZTZJPIWIIGAU-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000309215462 488059463 /nfs/dbraw/zinc/05/94/63/488059463.db2.gz FLZTZJPIWIIGAU-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000309215462 488059466 /nfs/dbraw/zinc/05/94/66/488059466.db2.gz FLZTZJPIWIIGAU-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000389167115 488080198 /nfs/dbraw/zinc/08/01/98/488080198.db2.gz MVAYYJVBIVHZSE-MXWKQRLJSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000257681646 488080549 /nfs/dbraw/zinc/08/05/49/488080549.db2.gz JGBLDGGDHUWYAA-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP COC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438112 488085521 /nfs/dbraw/zinc/08/55/21/488085521.db2.gz UDSSFFXUTSTPSU-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000257754450 488087154 /nfs/dbraw/zinc/08/71/54/488087154.db2.gz QFNCFTBKFHBCOP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)CCC1=O ZINC000257779456 488087514 /nfs/dbraw/zinc/08/75/14/488087514.db2.gz IEHJHPCFSAULAD-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000257783935 488089195 /nfs/dbraw/zinc/08/91/95/488089195.db2.gz KVYCSXKUWGGOFA-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000257783935 488089197 /nfs/dbraw/zinc/08/91/97/488089197.db2.gz KVYCSXKUWGGOFA-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690328 488105667 /nfs/dbraw/zinc/10/56/67/488105667.db2.gz ZUSIGONXOHUYAW-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690327 488105706 /nfs/dbraw/zinc/10/57/06/488105706.db2.gz ZUSIGONXOHUYAW-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000389692045 488105738 /nfs/dbraw/zinc/10/57/38/488105738.db2.gz FLINPTVPIPWDCG-UWVGGRQHSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000389692045 488105741 /nfs/dbraw/zinc/10/57/41/488105741.db2.gz FLINPTVPIPWDCG-UWVGGRQHSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000389692046 488105973 /nfs/dbraw/zinc/10/59/73/488105973.db2.gz FLINPTVPIPWDCG-VHSXEESVSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000389692046 488105977 /nfs/dbraw/zinc/10/59/77/488105977.db2.gz FLINPTVPIPWDCG-VHSXEESVSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000389706399 488107032 /nfs/dbraw/zinc/10/70/32/488107032.db2.gz DEZBLWVLAXXFQO-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](COC)C1CC1 ZINC000397261661 488108893 /nfs/dbraw/zinc/10/88/93/488108893.db2.gz KKYDSQWXFUBBMO-NWDGAFQWSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](COC)C1CC1 ZINC000397261661 488108899 /nfs/dbraw/zinc/10/88/99/488108899.db2.gz KKYDSQWXFUBBMO-NWDGAFQWSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121144594 490076932 /nfs/dbraw/zinc/07/69/32/490076932.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121144594 490076936 /nfs/dbraw/zinc/07/69/36/490076936.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121144594 490076939 /nfs/dbraw/zinc/07/69/39/490076939.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 2 1 214.353 0.888 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569973 487544086 /nfs/dbraw/zinc/54/40/86/487544086.db2.gz VHYPBISIMULYNO-SECBINFHSA-N 2 1 237.303 0.562 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000674286855 487547024 /nfs/dbraw/zinc/54/70/24/487547024.db2.gz CSNNZAMMTFOOFB-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000070088416 487547815 /nfs/dbraw/zinc/54/78/15/487547815.db2.gz PFCCUUNOHOXCCC-UHFFFAOYSA-N 2 1 245.367 0.198 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000674289238 487550774 /nfs/dbraw/zinc/55/07/74/487550774.db2.gz BUFRFAXMVHZXLK-RYUDHWBXSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@H](O)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703855 487533241 /nfs/dbraw/zinc/53/32/41/487533241.db2.gz QBIQQALFSQRQDT-JTQLQIEISA-N 2 1 212.337 0.831 20 0 BCADMP CCc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405258984 487479016 /nfs/dbraw/zinc/47/90/16/487479016.db2.gz HYYYOGRFDXTWHQ-UONOGXRCSA-N 2 1 247.342 0.899 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@@H]1C[NH2+]CCO1 ZINC000086188770 487489112 /nfs/dbraw/zinc/48/91/12/487489112.db2.gz UANDYZQIPHZHPZ-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000381172302 487500992 /nfs/dbraw/zinc/50/09/92/487500992.db2.gz UKNFUEUXGYSEJU-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000381172302 487500994 /nfs/dbraw/zinc/50/09/94/487500994.db2.gz UKNFUEUXGYSEJU-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](COC)C1 ZINC000381172302 487500996 /nfs/dbraw/zinc/50/09/96/487500996.db2.gz UKNFUEUXGYSEJU-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC000381172302 487500998 /nfs/dbraw/zinc/50/09/98/487500998.db2.gz UKNFUEUXGYSEJU-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)OC ZINC000300366935 487510918 /nfs/dbraw/zinc/51/09/18/487510918.db2.gz HNJBGWCCWDETKE-DCAQKATOSA-N 2 1 216.325 0.459 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)OC ZINC000300375190 487511980 /nfs/dbraw/zinc/51/19/80/487511980.db2.gz PHBZDRPOYORTHL-DCAQKATOSA-N 2 1 216.325 0.317 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293473 487523903 /nfs/dbraw/zinc/52/39/03/487523903.db2.gz HVUUZCLZIJYVKK-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP Cc1ncc(C[N@@H+](C)CC(C)(C)O)n1C ZINC000667639197 488065012 /nfs/dbraw/zinc/06/50/12/488065012.db2.gz NINWGFIRMDIISB-UHFFFAOYSA-N 2 1 211.309 0.931 20 0 BCADMP Cc1ncc(CN(C)CC(C)(C)O)n1C ZINC000667639197 488065020 /nfs/dbraw/zinc/06/50/20/488065020.db2.gz NINWGFIRMDIISB-UHFFFAOYSA-N 2 1 211.309 0.931 20 0 BCADMP CN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCC1=O ZINC000257792349 488089256 /nfs/dbraw/zinc/08/92/56/488089256.db2.gz QGJQBMGYGQEGKK-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745723 488150700 /nfs/dbraw/zinc/15/07/00/488150700.db2.gz SVZJUDGDKRFLAY-PWSUYJOCSA-N 2 1 222.336 0.632 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356977 488162981 /nfs/dbraw/zinc/16/29/81/488162981.db2.gz HGZJDUZSGMQYCK-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000669524651 488164488 /nfs/dbraw/zinc/16/44/88/488164488.db2.gz NSVFLLLKXVILCQ-GUBZILKMSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000669524652 488164573 /nfs/dbraw/zinc/16/45/73/488164573.db2.gz NSVFLLLKXVILCQ-IVZWLZJFSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335569350 488165384 /nfs/dbraw/zinc/16/53/84/488165384.db2.gz XUSMAQHWCCJSHX-KOLCDFICSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335569350 488165387 /nfs/dbraw/zinc/16/53/87/488165387.db2.gz XUSMAQHWCCJSHX-KOLCDFICSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000380016252 488168424 /nfs/dbraw/zinc/16/84/24/488168424.db2.gz LVECXPSMTVOWPE-STQMWFEESA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380016252 488168429 /nfs/dbraw/zinc/16/84/29/488168429.db2.gz LVECXPSMTVOWPE-STQMWFEESA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380016252 488168433 /nfs/dbraw/zinc/16/84/33/488168433.db2.gz LVECXPSMTVOWPE-STQMWFEESA-N 2 1 246.395 0.780 20 0 BCADMP CN(C)c1nc(N2CCC(C[NH3+])CC2)cc[nH+]1 ZINC000085436995 488172665 /nfs/dbraw/zinc/17/26/65/488172665.db2.gz KAMGKVAWFDOLBV-UHFFFAOYSA-N 2 1 235.335 0.718 20 0 BCADMP Cc1ncc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000668012163 488184445 /nfs/dbraw/zinc/18/44/45/488184445.db2.gz UMQVWOFARKCNBW-BXKDBHETSA-N 2 1 223.320 0.931 20 0 BCADMP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000668096112 488202170 /nfs/dbraw/zinc/20/21/70/488202170.db2.gz YZAIRLFYTWZLCN-SNVBAGLBSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913238 488214971 /nfs/dbraw/zinc/21/49/71/488214971.db2.gz QKFCMCJFSUMOSS-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399089761 488228021 /nfs/dbraw/zinc/22/80/21/488228021.db2.gz WAKFPZNNVJBETD-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000382925349 490111315 /nfs/dbraw/zinc/11/13/15/490111315.db2.gz DFWFGVXOGRFYDN-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081000489 490669303 /nfs/dbraw/zinc/66/93/03/490669303.db2.gz JFNPHYZHGMDNNK-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629531243 491078228 /nfs/dbraw/zinc/07/82/28/491078228.db2.gz FQDIUCCZCQCSOY-KGLIPLIRSA-N 3 1 249.358 0.957 20 0 BCADMP CC[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685694 491090517 /nfs/dbraw/zinc/09/05/17/491090517.db2.gz IYWBNNSVPRUICU-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([NH+](C)C)CC1 ZINC000120620264 491099487 /nfs/dbraw/zinc/09/94/87/491099487.db2.gz KGFOALVOEXZEGV-SNVBAGLBSA-N 2 1 200.326 0.641 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H](NCC[NH+]2CCCC2)C1 ZINC000086402303 491123850 /nfs/dbraw/zinc/12/38/50/491123850.db2.gz HRZZKTIHSNFAQZ-VXGBXAGGSA-N 2 1 211.353 0.942 20 0 BCADMP CC/C=C/C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384730100 491125182 /nfs/dbraw/zinc/12/51/82/491125182.db2.gz AZPCGOIUKXEILD-AAOUONPWSA-N 2 1 212.337 0.999 20 0 BCADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)c2ccccc21 ZINC000132127894 491134984 /nfs/dbraw/zinc/13/49/84/491134984.db2.gz BAJPNHYSKNOIRM-BIMULSAOSA-N 2 1 245.326 0.999 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC1CCC1 ZINC000308804406 491138194 /nfs/dbraw/zinc/13/81/94/491138194.db2.gz AMABACLPSOUKPO-PHIMTYICSA-N 2 1 210.321 0.707 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335378620 535494157 /nfs/dbraw/zinc/49/41/57/535494157.db2.gz FIBJUXWEGXFSDT-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400361651 534080790 /nfs/dbraw/zinc/08/07/90/534080790.db2.gz CGXXISWLLRKCGK-LMLFDSFASA-N 2 1 232.393 0.829 20 0 BCADMP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000493557577 534273638 /nfs/dbraw/zinc/27/36/38/534273638.db2.gz PWDAVZFXGLFKEU-PKRZQGHMSA-N 2 1 239.363 0.655 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358574 528260852 /nfs/dbraw/zinc/26/08/52/528260852.db2.gz BHGSGQJTKVBUFA-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP CC[NH2+]CC[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496543787 528329849 /nfs/dbraw/zinc/32/98/49/528329849.db2.gz AXJGPVWETPASHW-UHFFFAOYSA-N 2 1 243.351 0.806 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309028801 528730925 /nfs/dbraw/zinc/73/09/25/528730925.db2.gz CIUVUZFIYNIBJH-AOOOYVTPSA-N 2 1 212.293 0.091 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262923496 535001392 /nfs/dbraw/zinc/00/13/92/535001392.db2.gz ZOIWBRLJZLNQRJ-MNOVXSKESA-N 2 1 227.352 0.441 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342754436 535075516 /nfs/dbraw/zinc/07/55/16/535075516.db2.gz QXZOCKXLCWEGSP-DTWKUNHWSA-N 2 1 249.305 0.331 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261547590 535197661 /nfs/dbraw/zinc/19/76/61/535197661.db2.gz MNCFCIUDOGAQAP-UHFFFAOYSA-N 3 1 211.353 0.799 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805626 535208025 /nfs/dbraw/zinc/20/80/25/535208025.db2.gz ZAMSGQAZDDQKKC-GRYCIOLGSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCOC1 ZINC000261527789 535308024 /nfs/dbraw/zinc/30/80/24/535308024.db2.gz HCZKLWDXWFSTNV-WDEREUQCSA-N 2 1 200.326 0.986 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335390117 535492199 /nfs/dbraw/zinc/49/21/99/535492199.db2.gz MJGVPGGXKHKRAO-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CCS(=O)(=O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086703045 535628027 /nfs/dbraw/zinc/62/80/27/535628027.db2.gz BGBQMTFEJRBMQB-UHFFFAOYSA-N 2 1 248.392 0.353 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000086065100 535634982 /nfs/dbraw/zinc/63/49/82/535634982.db2.gz ZKASRDODBBNCMH-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261586278 535653849 /nfs/dbraw/zinc/65/38/49/535653849.db2.gz QYRLABRQKGORSR-RNFRBKRXSA-N 2 1 223.267 0.070 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747171 535676315 /nfs/dbraw/zinc/67/63/15/535676315.db2.gz BCSWSDVVEAKFEP-LBPRGKRZSA-N 2 1 239.363 0.811 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000176084853 535752974 /nfs/dbraw/zinc/75/29/74/535752974.db2.gz BLQCNBNZHGQHKP-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP CC[C@](C)(CO)[NH2+]C1CC[NH+](C)CC1 ZINC000130314826 535833943 /nfs/dbraw/zinc/83/39/43/535833943.db2.gz KWTAEQRFDDKRQA-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402697 535845572 /nfs/dbraw/zinc/84/55/72/535845572.db2.gz AGVOFGJOZDXFDY-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402697 535845577 /nfs/dbraw/zinc/84/55/77/535845577.db2.gz AGVOFGJOZDXFDY-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335939361 535958519 /nfs/dbraw/zinc/95/85/19/535958519.db2.gz FLAFIJACXINVNH-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252782618 536163083 /nfs/dbraw/zinc/16/30/83/536163083.db2.gz SDWDGOOTDZMDTP-BJDJZHNGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252782618 536163087 /nfs/dbraw/zinc/16/30/87/536163087.db2.gz SDWDGOOTDZMDTP-BJDJZHNGSA-N 2 1 241.379 0.959 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353775 /nfs/dbraw/zinc/35/37/75/536353775.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353778 /nfs/dbraw/zinc/35/37/78/536353778.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353780 /nfs/dbraw/zinc/35/37/80/536353780.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033507 536372627 /nfs/dbraw/zinc/37/26/27/536372627.db2.gz OHVKHFMMAPPJKV-OLZOCXBDSA-N 2 1 239.363 0.444 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086068434 536448094 /nfs/dbraw/zinc/44/80/94/536448094.db2.gz VRFJANZHTJHVPI-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP COCC[NH+](C)[C@@H](C)CC[N@@H+](C)CCOC ZINC000431625653 566365625 /nfs/dbraw/zinc/36/56/25/566365625.db2.gz ZMHMTGHBFSXSEZ-LBPRGKRZSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)[C@@H](C)CC[N@H+](C)CCOC ZINC000431625653 566365631 /nfs/dbraw/zinc/36/56/31/566365631.db2.gz ZMHMTGHBFSXSEZ-LBPRGKRZSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)CC[C@H](C)[N@H+](C)CCOC ZINC000431625653 566365638 /nfs/dbraw/zinc/36/56/38/566365638.db2.gz ZMHMTGHBFSXSEZ-LBPRGKRZSA-N 2 1 232.368 0.921 20 0 BCADMP COCC[NH+](C)CC[C@H](C)[N@@H+](C)CCOC ZINC000431625653 566365643 /nfs/dbraw/zinc/36/56/43/566365643.db2.gz ZMHMTGHBFSXSEZ-LBPRGKRZSA-N 2 1 232.368 0.921 20 0 BCADMP CC[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000804798382 582559250 /nfs/dbraw/zinc/55/92/50/582559250.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 2 1 235.335 0.898 20 0 BCADMP OCc1c[nH+]ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891781232 582720358 /nfs/dbraw/zinc/72/03/58/582720358.db2.gz HGWZXMVGJGQOJU-NSHDSACASA-N 2 1 247.342 0.892 20 0 BCADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000892002260 582758766 /nfs/dbraw/zinc/75/87/66/582758766.db2.gz NBCNYUWIMHQNQA-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000892104629 582792827 /nfs/dbraw/zinc/79/28/27/582792827.db2.gz YSDXIZJCXPCNTC-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008211 582822372 /nfs/dbraw/zinc/82/23/72/582822372.db2.gz YQFOVCDJYOHUEO-MNOVXSKESA-N 2 1 241.383 0.145 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892583883 582921878 /nfs/dbraw/zinc/92/18/78/582921878.db2.gz DVGBQYNZBKPFKE-XYPYZODXSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2CO)CC[N@H+]1C ZINC000892673729 582948267 /nfs/dbraw/zinc/94/82/67/582948267.db2.gz OZRBUSACYUMDJV-CMPLNLGQSA-N 2 1 235.331 0.890 20 0 BCADMP COCCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892947184 583015880 /nfs/dbraw/zinc/01/58/80/583015880.db2.gz YPKYNHDQLQWCRW-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)CO ZINC000390499292 583114161 /nfs/dbraw/zinc/11/41/61/583114161.db2.gz SOAXQBROSSFJER-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)CO ZINC000390499292 583114165 /nfs/dbraw/zinc/11/41/65/583114165.db2.gz SOAXQBROSSFJER-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C(C)(C)CO)C1CC1 ZINC000390499292 583114166 /nfs/dbraw/zinc/11/41/66/583114166.db2.gz SOAXQBROSSFJER-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C(C)(C)CO)C1CC1 ZINC000390499292 583114168 /nfs/dbraw/zinc/11/41/68/583114168.db2.gz SOAXQBROSSFJER-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394608492 583115488 /nfs/dbraw/zinc/11/54/88/583115488.db2.gz RBRVVGJTQAATFE-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP CCn1ncc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000857086953 588887111 /nfs/dbraw/zinc/88/71/11/588887111.db2.gz ODHMELFNRNJTQD-UHFFFAOYSA-N 2 1 237.351 0.859 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000857109091 588888818 /nfs/dbraw/zinc/88/88/18/588888818.db2.gz IIKUDORIZSQKJS-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000894184733 583332814 /nfs/dbraw/zinc/33/28/14/583332814.db2.gz FGFMPUNUQXPBSP-ZDUSSCGKSA-N 2 1 239.363 0.526 20 0 BCADMP CON(C)C(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000788012085 583369869 /nfs/dbraw/zinc/36/98/69/583369869.db2.gz PNVHCRPVONGSMM-UHFFFAOYSA-N 2 1 243.351 0.422 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000857231033 588897312 /nfs/dbraw/zinc/89/73/12/588897312.db2.gz SDMNJFXMAJIAHQ-KPPDAEKUSA-N 2 1 225.336 0.147 20 0 BCADMP Cc1ccnc(N)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894580816 583488298 /nfs/dbraw/zinc/48/82/98/583488298.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 1 246.358 0.966 20 0 BCADMP CC(=O)CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000115548697 588908889 /nfs/dbraw/zinc/90/88/89/588908889.db2.gz JHTCPUNFHIZWSE-UHFFFAOYSA-N 2 1 242.363 0.744 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000141514948 583583920 /nfs/dbraw/zinc/58/39/20/583583920.db2.gz QWHJUWUCVOARMY-LLVKDONJSA-N 2 1 226.320 0.623 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000895387686 583662747 /nfs/dbraw/zinc/66/27/47/583662747.db2.gz OCPLKQYDFDTWRD-QWHCGFSZSA-N 2 1 224.348 0.785 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895429522 583668925 /nfs/dbraw/zinc/66/89/25/583668925.db2.gz OYWDBSPUKIIFAD-VHSXEESVSA-N 2 1 216.325 0.868 20 0 BCADMP C[C@H]1[C@@H](Nc2ccncc2C(N)=O)CC[N@H+]1C ZINC000895737413 583718126 /nfs/dbraw/zinc/71/81/26/583718126.db2.gz UHLHPLAKNUWMOU-WPRPVWTQSA-N 2 1 234.303 0.107 20 0 BCADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000895737413 583718128 /nfs/dbraw/zinc/71/81/28/583718128.db2.gz UHLHPLAKNUWMOU-WPRPVWTQSA-N 2 1 234.303 0.107 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461953 583823619 /nfs/dbraw/zinc/82/36/19/583823619.db2.gz GXYBLUJJJZUSFR-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896821910 583836895 /nfs/dbraw/zinc/83/68/95/583836895.db2.gz XKWQIZPJVXFIQQ-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335002260 583878826 /nfs/dbraw/zinc/87/88/26/583878826.db2.gz YHAXTEUAHSLYSP-ZDUSSCGKSA-N 2 1 234.347 0.959 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983249 583933263 /nfs/dbraw/zinc/93/32/63/583933263.db2.gz UBTWLCKQPGZSDN-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000897429479 583973178 /nfs/dbraw/zinc/97/31/78/583973178.db2.gz FEPKELZOLIZDEO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897429479 583973180 /nfs/dbraw/zinc/97/31/80/583973180.db2.gz FEPKELZOLIZDEO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000897429479 583973181 /nfs/dbraw/zinc/97/31/81/583973181.db2.gz FEPKELZOLIZDEO-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+](C)C)C1 ZINC000897441306 583984535 /nfs/dbraw/zinc/98/45/35/583984535.db2.gz BZIXPEBRANEEDA-LLVKDONJSA-N 2 1 242.367 0.189 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897760223 584044561 /nfs/dbraw/zinc/04/45/61/584044561.db2.gz KJHAMTLBDMATEW-QWRGUYRKSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000899224162 584184483 /nfs/dbraw/zinc/18/44/83/584184483.db2.gz MSUDQJDVETYKSJ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000899224162 584184485 /nfs/dbraw/zinc/18/44/85/584184485.db2.gz MSUDQJDVETYKSJ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899224162 584184486 /nfs/dbraw/zinc/18/44/86/584184486.db2.gz MSUDQJDVETYKSJ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000899224163 584184679 /nfs/dbraw/zinc/18/46/79/584184679.db2.gz MSUDQJDVETYKSJ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000899224163 584184681 /nfs/dbraw/zinc/18/46/81/584184681.db2.gz MSUDQJDVETYKSJ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899224163 584184683 /nfs/dbraw/zinc/18/46/83/584184683.db2.gz MSUDQJDVETYKSJ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](NC(=[NH2+])NCC[N@H+](C)C1CC1)C1CC1 ZINC000899264729 584188965 /nfs/dbraw/zinc/18/89/65/584188965.db2.gz JZLYEKHIRVOCMI-VIFPVBQESA-N 2 1 224.352 0.993 20 0 BCADMP C[C@H](NC(=[NH2+])NCC[N@@H+](C)C1CC1)C1CC1 ZINC000899264729 584188966 /nfs/dbraw/zinc/18/89/66/584188966.db2.gz JZLYEKHIRVOCMI-VIFPVBQESA-N 2 1 224.352 0.993 20 0 BCADMP CC(C)C[C@@H]([NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000900017769 584266963 /nfs/dbraw/zinc/26/69/63/584266963.db2.gz STJPEACAXOLANC-MRVPVSSYSA-N 2 1 224.308 0.933 20 0 BCADMP CCCN1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000900555025 584322180 /nfs/dbraw/zinc/32/21/80/584322180.db2.gz BVUSTIQLQILJSN-UHFFFAOYSA-N 2 1 236.319 0.506 20 0 BCADMP Cc1cnccc1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900618378 584332352 /nfs/dbraw/zinc/33/23/52/584332352.db2.gz JYNIDIKNXJRLOJ-GXFFZTMASA-N 2 1 249.314 0.206 20 0 BCADMP Cc1cnccc1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900618378 584332353 /nfs/dbraw/zinc/33/23/53/584332353.db2.gz JYNIDIKNXJRLOJ-GXFFZTMASA-N 2 1 249.314 0.206 20 0 BCADMP NC1(C[NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000902410720 584576297 /nfs/dbraw/zinc/57/62/97/584576297.db2.gz UBVFJXYVMQWNNE-IXBNRNDTSA-N 2 1 209.337 0.583 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391719 584582790 /nfs/dbraw/zinc/58/27/90/584582790.db2.gz ZGRHNVCJSUAQGS-LLVKDONJSA-N 3 1 213.369 0.964 20 0 BCADMP C[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000902403604 584588111 /nfs/dbraw/zinc/58/81/11/584588111.db2.gz ADXBKRRBSLLXCP-WOPDTQHZSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CC1 ZINC000902417998 584591266 /nfs/dbraw/zinc/59/12/66/584591266.db2.gz UFIFXLDWWALHRW-KOLCDFICSA-N 2 1 209.337 0.550 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902417998 584591269 /nfs/dbraw/zinc/59/12/69/584591269.db2.gz UFIFXLDWWALHRW-KOLCDFICSA-N 2 1 209.337 0.550 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCCON)CC[N@H+]1C ZINC000902420520 584592281 /nfs/dbraw/zinc/59/22/81/584592281.db2.gz XZCMAXTYXXSWEF-UWVGGRQHSA-N 2 1 201.314 0.339 20 0 BCADMP FCCn1cc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000902444439 584599177 /nfs/dbraw/zinc/59/91/77/584599177.db2.gz HLDRVPGRRNSOOX-UHFFFAOYSA-N 2 1 226.299 0.694 20 0 BCADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000902413509 584599987 /nfs/dbraw/zinc/59/99/87/584599987.db2.gz NFCCIPYWJKQMJF-QWRGUYRKSA-N 2 1 209.337 0.694 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1C ZINC000902474250 584601891 /nfs/dbraw/zinc/60/18/91/584601891.db2.gz DHRBAWBGBKNTPX-NAWOPXAZSA-N 2 1 223.364 0.952 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1C ZINC000902474241 584602065 /nfs/dbraw/zinc/60/20/65/584602065.db2.gz DHRBAWBGBKNTPX-CKIKVBCHSA-N 2 1 223.364 0.952 20 0 BCADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@H+]1C ZINC000902474245 584602184 /nfs/dbraw/zinc/60/21/84/584602184.db2.gz DHRBAWBGBKNTPX-FPYNETTCSA-N 2 1 223.364 0.952 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902454060 584608962 /nfs/dbraw/zinc/60/89/62/584608962.db2.gz FBDXBZFUJOLEDL-RKDXNWHRSA-N 2 1 226.324 0.644 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902455101 584609294 /nfs/dbraw/zinc/60/92/94/584609294.db2.gz ITVDMZQUIVDYEY-GHMZBOCLSA-N 2 1 238.335 0.788 20 0 BCADMP Cn1cnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000902459047 584610685 /nfs/dbraw/zinc/61/06/85/584610685.db2.gz ATFTZYZAYKTBDV-KOLCDFICSA-N 2 1 208.309 0.637 20 0 BCADMP Cn1cnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000902461010 584611689 /nfs/dbraw/zinc/61/16/89/584611689.db2.gz KIOLXTXMYLXIPX-ZJUUUORDSA-N 2 1 208.309 0.780 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1C ZINC000902464873 584612970 /nfs/dbraw/zinc/61/29/70/584612970.db2.gz DHRBAWBGBKNTPX-KSSYENDESA-N 2 1 223.364 0.952 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1C ZINC000902464870 584613175 /nfs/dbraw/zinc/61/31/75/584613175.db2.gz DHRBAWBGBKNTPX-KIJLLGNVSA-N 2 1 223.364 0.952 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469275 584615570 /nfs/dbraw/zinc/61/55/70/584615570.db2.gz VNLUXSMFYWQZSE-CLHCLYRXSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469275 584615572 /nfs/dbraw/zinc/61/55/72/584615572.db2.gz VNLUXSMFYWQZSE-CLHCLYRXSA-N 2 1 235.375 0.857 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000902490059 584617539 /nfs/dbraw/zinc/61/75/39/584617539.db2.gz RHZLXOBFOKWXMO-WISYIIOYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000902490059 584617540 /nfs/dbraw/zinc/61/75/40/584617540.db2.gz RHZLXOBFOKWXMO-WISYIIOYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472124 584617626 /nfs/dbraw/zinc/61/76/26/584617626.db2.gz XHICOQLMJSCDQC-IYKVGLELSA-N 2 1 209.337 0.419 20 0 BCADMP N[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902487192 584625953 /nfs/dbraw/zinc/62/59/53/584625953.db2.gz JKOFUNPLSSFXBF-XWLWVQCSSA-N 2 1 209.337 0.583 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000902488249 584627039 /nfs/dbraw/zinc/62/70/39/584627039.db2.gz MKRAYYLUOKUCTG-XDQOZGBTSA-N 2 1 221.348 0.310 20 0 BCADMP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902518461 584631010 /nfs/dbraw/zinc/63/10/10/584631010.db2.gz LMRBKGMFJOQEOG-SFWGVHFYSA-N 2 1 248.370 0.997 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903058182 584722462 /nfs/dbraw/zinc/72/24/62/584722462.db2.gz HHYDXLGDOIRCIW-STQMWFEESA-N 2 1 240.347 0.618 20 0 BCADMP O=C1NCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903197423 584735083 /nfs/dbraw/zinc/73/50/83/584735083.db2.gz YSWDBOMFKNIRTJ-CTEVKTCYSA-N 2 1 249.358 0.622 20 0 BCADMP O=C1NCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903197423 584735085 /nfs/dbraw/zinc/73/50/85/584735085.db2.gz YSWDBOMFKNIRTJ-CTEVKTCYSA-N 2 1 249.358 0.622 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426437 584761238 /nfs/dbraw/zinc/76/12/38/584761238.db2.gz IVUGKEHPXJYDLW-WISYIIOYSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426437 584761239 /nfs/dbraw/zinc/76/12/39/584761239.db2.gz IVUGKEHPXJYDLW-WISYIIOYSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458889 584766198 /nfs/dbraw/zinc/76/61/98/584766198.db2.gz MKPDSNSECCTTJS-LOWDOPEQSA-N 3 1 225.380 0.759 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458889 584766199 /nfs/dbraw/zinc/76/61/99/584766199.db2.gz MKPDSNSECCTTJS-LOWDOPEQSA-N 3 1 225.380 0.759 20 0 BCADMP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444076 584768584 /nfs/dbraw/zinc/76/85/84/584768584.db2.gz OZFWBHKJOSADAS-ZJUUUORDSA-N 2 1 208.309 0.969 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903449253 584771086 /nfs/dbraw/zinc/77/10/86/584771086.db2.gz QYDAFKNIQVCAEI-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903449253 584771087 /nfs/dbraw/zinc/77/10/87/584771087.db2.gz QYDAFKNIQVCAEI-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC2(CC[NH2+]C2)CC1 ZINC000903452647 584771689 /nfs/dbraw/zinc/77/16/89/584771689.db2.gz PFFDQKLROKTHGS-OLZOCXBDSA-N 2 1 237.391 0.917 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452336 584771874 /nfs/dbraw/zinc/77/18/74/584771874.db2.gz LEFFVKOBVBAOMV-RVMXOQNASA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452336 584771875 /nfs/dbraw/zinc/77/18/75/584771875.db2.gz LEFFVKOBVBAOMV-RVMXOQNASA-N 2 1 223.364 0.798 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903451699 584771899 /nfs/dbraw/zinc/77/18/99/584771899.db2.gz CLYHLUPXZUFDPX-RDBSUJKOSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903451699 584771900 /nfs/dbraw/zinc/77/19/00/584771900.db2.gz CLYHLUPXZUFDPX-RDBSUJKOSA-N 3 1 237.391 0.917 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903449982 584772238 /nfs/dbraw/zinc/77/22/38/584772238.db2.gz ZBRPCPIYEZFNBY-YNEHKIRRSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903453788 584772609 /nfs/dbraw/zinc/77/26/09/584772609.db2.gz LNKGQFNWKKMYMI-WUHRBBMRSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903453788 584772610 /nfs/dbraw/zinc/77/26/10/584772610.db2.gz LNKGQFNWKKMYMI-WUHRBBMRSA-N 3 1 223.364 0.798 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456059 584774342 /nfs/dbraw/zinc/77/43/42/584774342.db2.gz DRGRGLQTOSMHJA-MNOVXSKESA-N 2 1 242.367 0.317 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471293 584775579 /nfs/dbraw/zinc/77/55/79/584775579.db2.gz IECDIQYWNHQILO-VXGBXAGGSA-N 2 1 223.364 0.860 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471290 584775668 /nfs/dbraw/zinc/77/56/68/584775668.db2.gz IECDIQYWNHQILO-NEPJUHHUSA-N 2 1 223.364 0.860 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000903476465 584777238 /nfs/dbraw/zinc/77/72/38/584777238.db2.gz XREFVPAVLOKUOX-XQQFMLRXSA-N 2 1 223.364 0.764 20 0 BCADMP COC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000903481673 584778244 /nfs/dbraw/zinc/77/82/44/584778244.db2.gz JMAINDBORWTOHK-NEPJUHHUSA-N 2 1 242.363 0.912 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903482979 584779139 /nfs/dbraw/zinc/77/91/39/584779139.db2.gz ANSLZSIUXHNCOI-LBPRGKRZSA-N 2 1 242.363 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CC[NH3+] ZINC000903498557 584780293 /nfs/dbraw/zinc/78/02/93/584780293.db2.gz KPFCLFKUUNWSMU-IJLUTSLNSA-N 2 1 249.362 0.682 20 0 BCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C(C)C)C2 ZINC000903490630 584780877 /nfs/dbraw/zinc/78/08/77/584780877.db2.gz AVSDJGVFWLYJEF-UMNHJUIQSA-N 2 1 226.320 0.607 20 0 BCADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(C)C)C2 ZINC000903491047 584781001 /nfs/dbraw/zinc/78/10/01/584781001.db2.gz SJRFPZZMSZLQEZ-LOWVWBTDSA-N 2 1 240.347 0.855 20 0 BCADMP C[C@@]1([C@@H]2CCC[N@@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560814 584782114 /nfs/dbraw/zinc/78/21/14/584782114.db2.gz AUUFECPIKWUKEC-PWSUYJOCSA-N 2 1 241.335 0.546 20 0 BCADMP C[C@]1([C@@H]2CCC[N@@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560815 584782334 /nfs/dbraw/zinc/78/23/34/584782334.db2.gz AUUFECPIKWUKEC-ZYHUDNBSSA-N 2 1 241.335 0.546 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000903555812 584782689 /nfs/dbraw/zinc/78/26/89/584782689.db2.gz CGSOBHIFBNMLLI-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000903555812 584782691 /nfs/dbraw/zinc/78/26/91/584782691.db2.gz CGSOBHIFBNMLLI-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1N ZINC000903556986 584783068 /nfs/dbraw/zinc/78/30/68/584783068.db2.gz JBMZWQQVHAOTRK-QWRGUYRKSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556986 584783069 /nfs/dbraw/zinc/78/30/69/584783069.db2.gz JBMZWQQVHAOTRK-QWRGUYRKSA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556986 584783070 /nfs/dbraw/zinc/78/30/70/584783070.db2.gz JBMZWQQVHAOTRK-QWRGUYRKSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903556986 584783071 /nfs/dbraw/zinc/78/30/71/584783071.db2.gz JBMZWQQVHAOTRK-QWRGUYRKSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]1C[N@H+](CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556782 584783198 /nfs/dbraw/zinc/78/31/98/584783198.db2.gz DTUOINSTZZAWGF-RYUDHWBXSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@H]1C[N@@H+](CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556782 584783200 /nfs/dbraw/zinc/78/32/00/584783200.db2.gz DTUOINSTZZAWGF-RYUDHWBXSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718084 584792129 /nfs/dbraw/zinc/79/21/29/584792129.db2.gz ZJSMRKMVKGXEHU-NEPJUHHUSA-N 3 1 227.352 0.036 20 0 BCADMP CN(CCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718084 584792131 /nfs/dbraw/zinc/79/21/31/584792131.db2.gz ZJSMRKMVKGXEHU-NEPJUHHUSA-N 2 1 227.352 0.036 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH3+] ZINC000903717801 584792293 /nfs/dbraw/zinc/79/22/93/584792293.db2.gz WYCUDYDCSTZZOU-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903718099 584792464 /nfs/dbraw/zinc/79/24/64/584792464.db2.gz ZPUBNPHRBGZMMD-UFGOTCBOSA-N 2 1 240.347 0.903 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000903713629 584793447 /nfs/dbraw/zinc/79/34/47/584793447.db2.gz XXYPXKUCYAHXIK-CMPLNLGQSA-N 2 1 240.347 0.869 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903713539 584793504 /nfs/dbraw/zinc/79/35/04/584793504.db2.gz USSHKDORCMPBLU-SDDRHHMPSA-N 2 1 240.347 0.856 20 0 BCADMP [NH3+]C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713431 584793701 /nfs/dbraw/zinc/79/37/01/584793701.db2.gz QFOROARBSZLXRV-CHWSQXEVSA-N 2 1 239.363 0.178 20 0 BCADMP O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712935 584793736 /nfs/dbraw/zinc/79/37/36/584793736.db2.gz VPNAACSISLSICX-QWRGUYRKSA-N 2 1 216.300 0.391 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903716051 584793985 /nfs/dbraw/zinc/79/39/85/584793985.db2.gz GWIKKUGYXPOWOS-WRWGMCAJSA-N 2 1 240.347 0.855 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903715999 584794139 /nfs/dbraw/zinc/79/41/39/584794139.db2.gz DZEYOCXUGLMDNT-SNVBAGLBSA-N 2 1 226.299 0.633 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903715999 584794141 /nfs/dbraw/zinc/79/41/41/584794141.db2.gz DZEYOCXUGLMDNT-SNVBAGLBSA-N 2 1 226.299 0.633 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000903742545 584796739 /nfs/dbraw/zinc/79/67/39/584796739.db2.gz CRKHMNCVDHLQOS-FIQHERPVSA-N 2 1 240.347 0.855 20 0 BCADMP NC1(C[NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743349 584796928 /nfs/dbraw/zinc/79/69/28/584796928.db2.gz IXKCMRCTZKPMCE-NWDGAFQWSA-N 2 1 239.363 0.226 20 0 BCADMP [NH3+]C1(CNC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743349 584796929 /nfs/dbraw/zinc/79/69/29/584796929.db2.gz IXKCMRCTZKPMCE-NWDGAFQWSA-N 2 1 239.363 0.226 20 0 BCADMP C[N@@H+](C[C@H]1COCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903765456 584797063 /nfs/dbraw/zinc/79/70/63/584797063.db2.gz HKAFTLYXVMGMLX-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+]CC1(O)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903761604 584797113 /nfs/dbraw/zinc/79/71/13/584797113.db2.gz WZWTUEZRYRQUEG-LBPRGKRZSA-N 2 1 241.379 0.162 20 0 BCADMP COCC(COC)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903767546 584798232 /nfs/dbraw/zinc/79/82/32/584798232.db2.gz HDCOPFZSHLTLDT-UHFFFAOYSA-N 2 1 242.363 0.851 20 0 BCADMP COCC(COC)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903767546 584798234 /nfs/dbraw/zinc/79/82/34/584798234.db2.gz HDCOPFZSHLTLDT-UHFFFAOYSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+])OC ZINC000903799919 584801777 /nfs/dbraw/zinc/80/17/77/584801777.db2.gz FOSPDKIHXXGHIK-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+])OC ZINC000903799919 584801778 /nfs/dbraw/zinc/80/17/78/584801778.db2.gz FOSPDKIHXXGHIK-RWMBFGLXSA-N 2 1 242.363 0.851 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806069 584802698 /nfs/dbraw/zinc/80/26/98/584802698.db2.gz UGXHVVVEHMTECA-JHJVBQTASA-N 2 1 242.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806069 584802699 /nfs/dbraw/zinc/80/26/99/584802699.db2.gz UGXHVVVEHMTECA-JHJVBQTASA-N 2 1 242.363 0.587 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCOCC1 ZINC000903809680 584803725 /nfs/dbraw/zinc/80/37/25/584803725.db2.gz ISPRDBYLNXDDSH-GFCCVEGCSA-N 2 1 241.379 0.426 20 0 BCADMP CN(CC[C@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC000903809680 584803726 /nfs/dbraw/zinc/80/37/26/584803726.db2.gz ISPRDBYLNXDDSH-GFCCVEGCSA-N 2 1 241.379 0.426 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903824245 584804374 /nfs/dbraw/zinc/80/43/74/584804374.db2.gz OMPWQIZAEVQAKM-NEPJUHHUSA-N 2 1 228.336 0.605 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903824245 584804375 /nfs/dbraw/zinc/80/43/75/584804375.db2.gz OMPWQIZAEVQAKM-NEPJUHHUSA-N 2 1 228.336 0.605 20 0 BCADMP Cc1noc(C[C@H]2CCC[N@@H+](CCC[NH3+])C2)n1 ZINC000903823032 584804399 /nfs/dbraw/zinc/80/43/99/584804399.db2.gz BQLBNPVGUHFGPB-LLVKDONJSA-N 2 1 238.335 0.981 20 0 BCADMP CC[N@H+](CCC(=O)NC)CCC1CC[NH2+]CC1 ZINC000903827497 584805003 /nfs/dbraw/zinc/80/50/03/584805003.db2.gz UNSIQIGALZBYLH-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]1CCOCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903831327 584805388 /nfs/dbraw/zinc/80/53/88/584805388.db2.gz IFCLWJUEOUENPL-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903830190 584805507 /nfs/dbraw/zinc/80/55/07/584805507.db2.gz VWRAMKHXQJUUNR-NEPJUHHUSA-N 2 1 228.336 0.069 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000903830163 584805530 /nfs/dbraw/zinc/80/55/30/584805530.db2.gz VIBHFQORZRJQLA-MXWKQRLJSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833449 584806297 /nfs/dbraw/zinc/80/62/97/584806297.db2.gz WVOAHQBNXYJEFB-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP COCC[C@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903838496 584806739 /nfs/dbraw/zinc/80/67/39/584806739.db2.gz YMCWGFJTGFVEBW-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP COCC[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000903838496 584806740 /nfs/dbraw/zinc/80/67/40/584806740.db2.gz YMCWGFJTGFVEBW-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC[NH2+]C1CC1)C2 ZINC000903839024 584806935 /nfs/dbraw/zinc/80/69/35/584806935.db2.gz HHPQIVOVHGVPPP-LOWVWBTDSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000903839024 584806937 /nfs/dbraw/zinc/80/69/37/584806937.db2.gz HHPQIVOVHGVPPP-LOWVWBTDSA-N 3 1 223.364 0.940 20 0 BCADMP O[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903840192 584807107 /nfs/dbraw/zinc/80/71/07/584807107.db2.gz PETMQDWUKVESAG-RYUDHWBXSA-N 2 1 230.327 0.781 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1F ZINC000903841051 584807222 /nfs/dbraw/zinc/80/72/22/584807222.db2.gz WIAJZQSAIGREJS-IJLUTSLNSA-N 2 1 230.327 0.781 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903843334 584807761 /nfs/dbraw/zinc/80/77/61/584807761.db2.gz IVKVHMLOWMOWIS-RHYQMDGZSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CC[NH2+]C1)C2 ZINC000903843334 584807763 /nfs/dbraw/zinc/80/77/63/584807763.db2.gz IVKVHMLOWMOWIS-RHYQMDGZSA-N 2 1 209.337 0.408 20 0 BCADMP NC[C@]12CC[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850134 584808043 /nfs/dbraw/zinc/80/80/43/584808043.db2.gz KWAJNJBSVOBTFJ-QWHCGFSZSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850134 584808044 /nfs/dbraw/zinc/80/80/44/584808044.db2.gz KWAJNJBSVOBTFJ-QWHCGFSZSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000903850134 584808045 /nfs/dbraw/zinc/80/80/45/584808045.db2.gz KWAJNJBSVOBTFJ-QWHCGFSZSA-N 3 1 223.364 0.799 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCOC1CC1 ZINC000903857894 584809850 /nfs/dbraw/zinc/80/98/50/584809850.db2.gz GIODUTOWLNQIKP-ZYHUDNBSSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCOC1CC1 ZINC000903857894 584809851 /nfs/dbraw/zinc/80/98/51/584809851.db2.gz GIODUTOWLNQIKP-ZYHUDNBSSA-N 2 1 210.321 0.979 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858938 584810807 /nfs/dbraw/zinc/81/08/07/584810807.db2.gz KINLJNNOEFMUST-DGCLKSJQSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858938 584810808 /nfs/dbraw/zinc/81/08/08/584810808.db2.gz KINLJNNOEFMUST-DGCLKSJQSA-N 2 1 234.347 0.776 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864700 584813370 /nfs/dbraw/zinc/81/33/70/584813370.db2.gz VTLQPFWAVUEKFQ-FRRDWIJNSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864700 584813371 /nfs/dbraw/zinc/81/33/71/584813371.db2.gz VTLQPFWAVUEKFQ-FRRDWIJNSA-N 2 1 242.363 0.587 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871528 584815455 /nfs/dbraw/zinc/81/54/55/584815455.db2.gz RAXGCSVZSKVUAZ-WOPDTQHZSA-N 2 1 244.404 0.642 20 0 BCADMP COC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903880437 584817310 /nfs/dbraw/zinc/81/73/10/584817310.db2.gz IFTHCUPTLQUAHW-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903880437 584817312 /nfs/dbraw/zinc/81/73/12/584817312.db2.gz IFTHCUPTLQUAHW-STQMWFEESA-N 2 1 241.379 0.296 20 0 BCADMP CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882023 584817605 /nfs/dbraw/zinc/81/76/05/584817605.db2.gz JHNPGMBICFPHMV-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP COC[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000903881251 584817626 /nfs/dbraw/zinc/81/76/26/584817626.db2.gz PHDXCOSXEWFGEI-LBPRGKRZSA-N 2 1 229.368 0.426 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000903881251 584817627 /nfs/dbraw/zinc/81/76/27/584817627.db2.gz PHDXCOSXEWFGEI-LBPRGKRZSA-N 2 1 229.368 0.426 20 0 BCADMP COC(=O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883756 584818202 /nfs/dbraw/zinc/81/82/02/584818202.db2.gz JSEUUATZOFYKFG-FGWVZKOKSA-N 2 1 226.320 0.622 20 0 BCADMP COC(=O)[C@H](C)C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903884826 584819061 /nfs/dbraw/zinc/81/90/61/584819061.db2.gz GZQMSCYHUINGAI-HTQZYQBOSA-N 2 1 238.278 0.710 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903884826 584819063 /nfs/dbraw/zinc/81/90/63/584819063.db2.gz GZQMSCYHUINGAI-HTQZYQBOSA-N 2 1 238.278 0.710 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906393 584821182 /nfs/dbraw/zinc/82/11/82/584821182.db2.gz VVSIHDCNGOABNZ-WVMKXHBISA-N 3 1 239.363 0.177 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906393 584821183 /nfs/dbraw/zinc/82/11/83/584821183.db2.gz VVSIHDCNGOABNZ-WVMKXHBISA-N 3 1 239.363 0.177 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908988 584821890 /nfs/dbraw/zinc/82/18/90/584821890.db2.gz CEMPUECEOCIMHX-KCJUWKMLSA-N 2 1 249.305 0.427 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908988 584821894 /nfs/dbraw/zinc/82/18/94/584821894.db2.gz CEMPUECEOCIMHX-KCJUWKMLSA-N 2 1 249.305 0.427 20 0 BCADMP C[N@@H+](CCOCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903910529 584822094 /nfs/dbraw/zinc/82/20/94/584822094.db2.gz NEVHSOVVUFCNDL-YHWZYXNKSA-N 2 1 242.363 0.458 20 0 BCADMP OC[C@]1(F)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918471 584822352 /nfs/dbraw/zinc/82/23/52/584822352.db2.gz ZZOAUAWMGSJTQN-WVMKXHBISA-N 2 1 242.338 0.923 20 0 BCADMP C[C@@H](N)[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920980 584822965 /nfs/dbraw/zinc/82/29/65/584822965.db2.gz ZGCITCNYTBJHDE-IACCCYARSA-N 2 1 211.353 0.842 20 0 BCADMP C[C@@H](CN)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918739 584823082 /nfs/dbraw/zinc/82/30/82/584823082.db2.gz GSLTXHJGFZSFFC-JTQLQIEISA-N 2 1 219.332 0.769 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000903978691 584833168 /nfs/dbraw/zinc/83/31/68/584833168.db2.gz KQEXLBXKAIIHKC-UTUOFQBUSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCNCC12CC(C1)C[NH2+]2 ZINC000903979242 584833553 /nfs/dbraw/zinc/83/35/53/584833553.db2.gz ZEVSEQLXTHRCTN-CQLXCSJHSA-N 2 1 223.364 0.574 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000903967518 584834929 /nfs/dbraw/zinc/83/49/29/584834929.db2.gz KGWWZFMTONKQJW-WOPDTQHZSA-N 3 1 211.353 0.431 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967994 584835104 /nfs/dbraw/zinc/83/51/04/584835104.db2.gz OKDGXFHZKCFFKI-NDBYEHHHSA-N 3 1 225.380 0.962 20 0 BCADMP COC(=O)C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000903986670 584835322 /nfs/dbraw/zinc/83/53/22/584835322.db2.gz OZSAJGAOINVVSL-NXEZZACHSA-N 2 1 228.336 0.855 20 0 BCADMP COC(=O)C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000903986670 584835323 /nfs/dbraw/zinc/83/53/23/584835323.db2.gz OZSAJGAOINVVSL-NXEZZACHSA-N 2 1 228.336 0.855 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000903987575 584836063 /nfs/dbraw/zinc/83/60/63/584836063.db2.gz HHXUOYTWHFAGTG-LLVKDONJSA-N 2 1 213.325 0.183 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299897 584860917 /nfs/dbraw/zinc/86/09/17/584860917.db2.gz QWYALPGGHDZLFD-KKOKHZNYSA-N 3 1 211.353 0.783 20 0 BCADMP CC[N@@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904301309 584861335 /nfs/dbraw/zinc/86/13/35/584861335.db2.gz DVYIYNZOMCJSFC-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP CCNC(=O)C[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304059 584861833 /nfs/dbraw/zinc/86/18/33/584861833.db2.gz QCMJPLDJIYBSPN-AOOOYVTPSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309206 584862423 /nfs/dbraw/zinc/86/24/23/584862423.db2.gz CSTICWSSMXNHOK-AOOOYVTPSA-N 2 1 213.325 0.167 20 0 BCADMP CCOC(=O)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307235 584862646 /nfs/dbraw/zinc/86/26/46/584862646.db2.gz MEILSBPBEDSEJQ-DTORHVGOSA-N 2 1 200.282 0.219 20 0 BCADMP CCOC(=O)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307235 584862648 /nfs/dbraw/zinc/86/26/48/584862648.db2.gz MEILSBPBEDSEJQ-DTORHVGOSA-N 2 1 200.282 0.219 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000904316001 584862842 /nfs/dbraw/zinc/86/28/42/584862842.db2.gz IFLQHNSDFDIWJC-TUAOUCFPSA-N 2 1 240.347 0.951 20 0 BCADMP CCOC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904313157 584863344 /nfs/dbraw/zinc/86/33/44/584863344.db2.gz ROBLEHOZGYDNKX-PHIMTYICSA-N 2 1 228.336 0.997 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313529 584863583 /nfs/dbraw/zinc/86/35/83/584863583.db2.gz WGCRJYNEHWJQLF-AOOOYVTPSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000904313223 584863591 /nfs/dbraw/zinc/86/35/91/584863591.db2.gz CWDDGLWDILWQMV-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323071 584864501 /nfs/dbraw/zinc/86/45/01/584864501.db2.gz LOFURWOCYHRALH-OUAUKWLOSA-N 2 1 226.320 0.751 20 0 BCADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321884 584864615 /nfs/dbraw/zinc/86/46/15/584864615.db2.gz JLXMDOIDTUZECE-NNYUYHANSA-N 2 1 212.337 0.959 20 0 BCADMP CC[C@H](CO)[NH+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324761 584865569 /nfs/dbraw/zinc/86/55/69/584865569.db2.gz KWUSQLRICJMNEM-FRRDWIJNSA-N 2 1 241.379 0.112 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342538 584867131 /nfs/dbraw/zinc/86/71/31/584867131.db2.gz KANKVGVMFGNGRB-UMNHJUIQSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC000904342071 584867308 /nfs/dbraw/zinc/86/73/08/584867308.db2.gz WOJCJDMHXRTGFZ-FIQHERPVSA-N 2 1 211.353 0.748 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343758 584867744 /nfs/dbraw/zinc/86/77/44/584867744.db2.gz WEHUBNAJENOFKE-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC(O)C1 ZINC000904345805 584868447 /nfs/dbraw/zinc/86/84/47/584868447.db2.gz NLXHHSDUTNVWDB-MCIGGMRASA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000904349834 584869078 /nfs/dbraw/zinc/86/90/78/584869078.db2.gz CYKZZTDHJMDAHX-NNYUYHANSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000904349834 584869079 /nfs/dbraw/zinc/86/90/79/584869079.db2.gz CYKZZTDHJMDAHX-NNYUYHANSA-N 3 1 209.337 0.408 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+]Cc1nccn1C1CC1 ZINC000904353239 584869834 /nfs/dbraw/zinc/86/98/34/584869834.db2.gz JQASPYOHBAPZSW-VIFPVBQESA-N 2 1 208.309 0.902 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904354825 584870604 /nfs/dbraw/zinc/87/06/04/584870604.db2.gz HDSLJBBJIPTOCX-UPJWGTAASA-N 3 1 225.380 0.964 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000904358007 584872397 /nfs/dbraw/zinc/87/23/97/584872397.db2.gz GECRXBFHGLZRDI-AWEZNQCLSA-N 3 1 249.358 0.613 20 0 BCADMP C[C@H]1[C@@H](CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372745 584873831 /nfs/dbraw/zinc/87/38/31/584873831.db2.gz IDZQAZBULKWYLS-NNYUYHANSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904372511 584873843 /nfs/dbraw/zinc/87/38/43/584873843.db2.gz DEOIVJGQNWKJHC-VWYCJHECSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)nn2)C[C@@H]1C[NH3+] ZINC000904372511 584873845 /nfs/dbraw/zinc/87/38/45/584873845.db2.gz DEOIVJGQNWKJHC-VWYCJHECSA-N 2 1 249.362 0.864 20 0 BCADMP Cn1nccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363747 584874466 /nfs/dbraw/zinc/87/44/66/584874466.db2.gz NCIIRTUULHZKFV-GFCCVEGCSA-N 2 1 222.336 0.899 20 0 BCADMP CCS(=O)(=O)CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904364847 584874659 /nfs/dbraw/zinc/87/46/59/584874659.db2.gz ROWQYYCHAQKQGU-LLVKDONJSA-N 2 1 248.392 0.400 20 0 BCADMP COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378708 584876085 /nfs/dbraw/zinc/87/60/85/584876085.db2.gz JEXIXXDZMXRPIM-WCABBAIRSA-N 2 1 232.299 0.605 20 0 BCADMP [NH3+]CCN1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000904376800 584876090 /nfs/dbraw/zinc/87/60/90/584876090.db2.gz FTXJGFKJMVESPW-UHFFFAOYSA-N 2 1 240.395 0.271 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000904377302 584876416 /nfs/dbraw/zinc/87/64/16/584876416.db2.gz MRSUVDRYQQVMAW-SDDRHHMPSA-N 2 1 235.335 0.337 20 0 BCADMP COC(=O)N(C)CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904379189 584876499 /nfs/dbraw/zinc/87/64/99/584876499.db2.gz QSDAUUOKPXOPGS-AOOOYVTPSA-N 2 1 229.324 0.354 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380133 584876769 /nfs/dbraw/zinc/87/67/69/584876769.db2.gz IQRQAANOVLTQTI-WYUUTHIRSA-N 3 1 209.337 0.537 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380133 584876770 /nfs/dbraw/zinc/87/67/70/584876770.db2.gz IQRQAANOVLTQTI-WYUUTHIRSA-N 2 1 209.337 0.537 20 0 BCADMP N[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380133 584876771 /nfs/dbraw/zinc/87/67/71/584876771.db2.gz IQRQAANOVLTQTI-WYUUTHIRSA-N 2 1 209.337 0.537 20 0 BCADMP [NH3+]CC1CC(N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000904380672 584876851 /nfs/dbraw/zinc/87/68/51/584876851.db2.gz OFDJXQRAILZUOF-ILDUYXDCSA-N 2 1 209.337 0.598 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405955 584878200 /nfs/dbraw/zinc/87/82/00/584878200.db2.gz BIGIBZPWFUIRNF-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000904406250 584878412 /nfs/dbraw/zinc/87/84/12/584878412.db2.gz CZUTYGITZNQJOQ-VIFPVBQESA-N 2 1 221.308 0.230 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406975 584878743 /nfs/dbraw/zinc/87/87/43/584878743.db2.gz ZHRZLJDLFSGSKF-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000904407601 584879049 /nfs/dbraw/zinc/87/90/49/584879049.db2.gz XITKNMYMCXFWBM-DTWKUNHWSA-N 3 1 221.295 0.640 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000904407601 584879050 /nfs/dbraw/zinc/87/90/50/584879050.db2.gz XITKNMYMCXFWBM-DTWKUNHWSA-N 3 1 221.295 0.640 20 0 BCADMP N[C@H](CC(F)F)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407601 584879051 /nfs/dbraw/zinc/87/90/51/584879051.db2.gz XITKNMYMCXFWBM-DTWKUNHWSA-N 2 1 221.295 0.640 20 0 BCADMP N[C@H](CC(F)F)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407601 584879052 /nfs/dbraw/zinc/87/90/52/584879052.db2.gz XITKNMYMCXFWBM-DTWKUNHWSA-N 2 1 221.295 0.640 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000904419417 584881984 /nfs/dbraw/zinc/88/19/84/584881984.db2.gz VDRZOBBTUJSSRH-YVECIDJPSA-N 3 1 225.380 0.901 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420739 584882264 /nfs/dbraw/zinc/88/22/64/584882264.db2.gz VNYLEMHRWNZWMK-YNEHKIRRSA-N 3 1 225.380 0.759 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876727532 584886845 /nfs/dbraw/zinc/88/68/45/584886845.db2.gz MVAYFELHHYVWDL-MXWKQRLJSA-N 2 1 239.363 0.428 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876749382 584886873 /nfs/dbraw/zinc/88/68/73/584886873.db2.gz NIHIEIVBRVSWCS-QWRGUYRKSA-N 2 1 245.342 0.390 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877081424 584889871 /nfs/dbraw/zinc/88/98/71/584889871.db2.gz AWRGAOXEDCFLNT-DCAQKATOSA-N 2 1 239.363 0.570 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000827683450 584900240 /nfs/dbraw/zinc/90/02/40/584900240.db2.gz HTXXEGAAMNPLQJ-CABZTGNLSA-N 2 1 241.310 0.041 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971440 584911322 /nfs/dbraw/zinc/91/13/22/584911322.db2.gz XLUXXLKJWQKWJW-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCOC2=O)C1 ZINC000733614750 584951339 /nfs/dbraw/zinc/95/13/39/584951339.db2.gz YYSVUKARJPJNDI-NSHDSACASA-N 2 1 241.335 0.322 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000733614750 584951340 /nfs/dbraw/zinc/95/13/40/584951340.db2.gz YYSVUKARJPJNDI-NSHDSACASA-N 2 1 241.335 0.322 20 0 BCADMP COCC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000748048901 585186804 /nfs/dbraw/zinc/18/68/04/585186804.db2.gz ZBJLPYBCRZXWDZ-JTQLQIEISA-N 2 1 243.376 0.742 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(O)CCC1 ZINC000759877332 585382155 /nfs/dbraw/zinc/38/21/55/585382155.db2.gz RPBASWYKLWABMY-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(O)CCC1 ZINC000759877332 585382156 /nfs/dbraw/zinc/38/21/56/585382156.db2.gz RPBASWYKLWABMY-GFCCVEGCSA-N 2 1 242.363 0.290 20 0 BCADMP CC[N@H+](CCCn1cc[nH+]c1C)CC(=O)NC ZINC000762916210 585439328 /nfs/dbraw/zinc/43/93/28/585439328.db2.gz GHTFBRIMJMJRRX-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)NC ZINC000762916210 585439329 /nfs/dbraw/zinc/43/93/29/585439329.db2.gz GHTFBRIMJMJRRX-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)C2CC2)CCC1 ZINC000763031298 585441946 /nfs/dbraw/zinc/44/19/46/585441946.db2.gz TYLQOAOCSLMCKF-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000773195338 585633486 /nfs/dbraw/zinc/63/34/86/585633486.db2.gz XAYGVXRGHBSCLD-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP c1cn([C@@H]2CCCN(CC3OCCO3)C2)cn1 ZINC000777575765 585715505 /nfs/dbraw/zinc/71/55/05/585715505.db2.gz JEBCSMHTDQRDEJ-LLVKDONJSA-N 2 1 237.303 0.893 20 0 BCADMP C[C@@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1CCO ZINC000778358336 585732377 /nfs/dbraw/zinc/73/23/77/585732377.db2.gz XVUMRVBIPLXTSA-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821560 /nfs/dbraw/zinc/82/15/60/585821560.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 2 1 224.348 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821561 /nfs/dbraw/zinc/82/15/61/585821561.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 2 1 224.348 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821562 /nfs/dbraw/zinc/82/15/62/585821562.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 2 1 224.348 0.785 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000794711374 586047233 /nfs/dbraw/zinc/04/72/33/586047233.db2.gz MMGWTPYTWRUNHL-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000794711374 586047234 /nfs/dbraw/zinc/04/72/34/586047234.db2.gz MMGWTPYTWRUNHL-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796216180 586099033 /nfs/dbraw/zinc/09/90/33/586099033.db2.gz CHDLTOOCIKAQHE-RWMBFGLXSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796216180 586099034 /nfs/dbraw/zinc/09/90/34/586099034.db2.gz CHDLTOOCIKAQHE-RWMBFGLXSA-N 2 1 242.363 0.552 20 0 BCADMP CN(CCC[N@@H+](C)CCF)CC[NH+](C)C ZINC000808781451 586489653 /nfs/dbraw/zinc/48/96/53/586489653.db2.gz GTPJMEYYOVTIKD-UHFFFAOYSA-N 2 1 219.348 0.771 20 0 BCADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912832 586831452 /nfs/dbraw/zinc/83/14/52/586831452.db2.gz JMCYMUBCGCFESI-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[NH+]1CCCC1 ZINC000822026033 587149806 /nfs/dbraw/zinc/14/98/06/587149806.db2.gz QJLIPFSUFZHSPE-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000824400767 587269540 /nfs/dbraw/zinc/26/95/40/587269540.db2.gz DNISQURUTDIOFB-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[NH+](C)C ZINC000827219976 587373304 /nfs/dbraw/zinc/37/33/04/587373304.db2.gz PYUZKCOZYUDOLQ-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000827798158 587402944 /nfs/dbraw/zinc/40/29/44/587402944.db2.gz MDCMEJVZMUFION-ZDUSSCGKSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ncc[nH]1 ZINC000831617803 587623812 /nfs/dbraw/zinc/62/38/12/587623812.db2.gz JYHAMFYGZRCYQO-NXEZZACHSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@@H]1[C@@H](C)N(C(=O)Cc2ncc[nH]2)CCN1C ZINC000831617803 587623814 /nfs/dbraw/zinc/62/38/14/587623814.db2.gz JYHAMFYGZRCYQO-NXEZZACHSA-N 2 1 236.319 0.503 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970656 587639624 /nfs/dbraw/zinc/63/96/24/587639624.db2.gz JWUNCSYGRLJUCV-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970499 587640024 /nfs/dbraw/zinc/64/00/24/587640024.db2.gz HKTOYUYZSLSCDS-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970283 587640293 /nfs/dbraw/zinc/64/02/93/587640293.db2.gz BPLTYITZRBQEEI-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970412 587640537 /nfs/dbraw/zinc/64/05/37/587640537.db2.gz GKVCSWDILXEXLW-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970701 587640636 /nfs/dbraw/zinc/64/06/36/587640636.db2.gz KPMPKVYGEYZPLF-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000831970599 587640954 /nfs/dbraw/zinc/64/09/54/587640954.db2.gz JHQJIVLZYMIHQF-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970422 587640968 /nfs/dbraw/zinc/64/09/68/587640968.db2.gz HBHGNFNBJYGIBF-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000832089392 587644954 /nfs/dbraw/zinc/64/49/54/587644954.db2.gz YKHCLBMXHJYXKA-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NCC1C[NH2+]C1 ZINC000834394435 587754409 /nfs/dbraw/zinc/75/44/09/587754409.db2.gz OTQZFPGZYHYVNK-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000834821095 587767785 /nfs/dbraw/zinc/76/77/85/587767785.db2.gz KEKYOSJZUAFAMS-ZJUUUORDSA-N 2 1 238.335 0.824 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000840867311 587926387 /nfs/dbraw/zinc/92/63/87/587926387.db2.gz MRTFKTQXTDQNMZ-SNVBAGLBSA-N 2 1 244.408 0.106 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CCCCCCC[NH3+] ZINC000842471436 588028263 /nfs/dbraw/zinc/02/82/63/588028263.db2.gz BEEDWTHOBSZPKE-UHFFFAOYSA-N 2 1 229.368 0.916 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1CCOC1=O ZINC000842476422 588029683 /nfs/dbraw/zinc/02/96/83/588029683.db2.gz ODMIUDVDETWTNW-GMTAPVOTSA-N 2 1 241.335 0.415 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843080525 588080175 /nfs/dbraw/zinc/08/01/75/588080175.db2.gz IQHQKJNNEOVZBI-RYUDHWBXSA-N 2 1 242.294 0.029 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000843080787 588080433 /nfs/dbraw/zinc/08/04/33/588080433.db2.gz KKAYRWQKRNOWNL-NEPJUHHUSA-N 2 1 242.294 0.029 20 0 BCADMP O=C1OCC[C@]12CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000843119594 588083893 /nfs/dbraw/zinc/08/38/93/588083893.db2.gz UWSGQSKIAFNHTC-CYBMUJFWSA-N 2 1 238.331 0.768 20 0 BCADMP CCS(=O)(=O)CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000843126659 588084205 /nfs/dbraw/zinc/08/42/05/588084205.db2.gz SIAYEWRNFFLEFP-JTQLQIEISA-N 2 1 234.365 0.010 20 0 BCADMP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[NH2+]C1 ZINC000843358821 588103738 /nfs/dbraw/zinc/10/37/38/588103738.db2.gz SABZZWQACLWSMB-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[NH2+]C1 ZINC000843358821 588103740 /nfs/dbraw/zinc/10/37/40/588103740.db2.gz SABZZWQACLWSMB-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364759 588104261 /nfs/dbraw/zinc/10/42/61/588104261.db2.gz PYKOMCBTKWKBTM-UHFFFAOYSA-N 3 1 227.352 0.037 20 0 BCADMP O=C1OCC[C@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364485 588104495 /nfs/dbraw/zinc/10/44/95/588104495.db2.gz DZWSBNJYBCDTOD-SNVBAGLBSA-N 2 1 224.304 0.377 20 0 BCADMP Cn1ncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000843385607 588105614 /nfs/dbraw/zinc/10/56/14/588105614.db2.gz SMDOWFVDABWKLV-GFCCVEGCSA-N 2 1 249.362 0.637 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000843470289 588113548 /nfs/dbraw/zinc/11/35/48/588113548.db2.gz RJWUDVXFZYSOQS-GZMMTYOYSA-N 2 1 237.303 0.158 20 0 BCADMP [NH3+]CCCCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000843479778 588114180 /nfs/dbraw/zinc/11/41/80/588114180.db2.gz CMDJDHUTHHHLKU-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000843481583 588114444 /nfs/dbraw/zinc/11/44/44/588114444.db2.gz ZEDXZVSCYFSQPG-DTWKUNHWSA-N 2 1 247.289 0.052 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000844170808 588171543 /nfs/dbraw/zinc/17/15/43/588171543.db2.gz DHHCTTZPHOKXNB-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000844183042 588172049 /nfs/dbraw/zinc/17/20/49/588172049.db2.gz OGWFEFDFCPVSRX-NSHDSACASA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844178336 588172160 /nfs/dbraw/zinc/17/21/60/588172160.db2.gz PKRIHSBXQPDOGP-JQWIXIFHSA-N 2 1 243.326 0.146 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000844171892 588172228 /nfs/dbraw/zinc/17/22/28/588172228.db2.gz NZKAGLHUEIZYBR-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000844191051 588173074 /nfs/dbraw/zinc/17/30/74/588173074.db2.gz PJJWPMHAWYMIST-KOLCDFICSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH3+] ZINC000844201029 588173167 /nfs/dbraw/zinc/17/31/67/588173167.db2.gz KVFPQKNCOUCHHF-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP C[C@H](CCO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000844448107 588194649 /nfs/dbraw/zinc/19/46/49/588194649.db2.gz TUKURFFYXIAYNL-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](CCO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000844448107 588194650 /nfs/dbraw/zinc/19/46/50/588194650.db2.gz TUKURFFYXIAYNL-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP Cc1nc2n(n1)CC[N@H+](CCCCCC[NH3+])C2 ZINC000846220485 588261440 /nfs/dbraw/zinc/26/14/40/588261440.db2.gz QVZONVOEQDITTI-UHFFFAOYSA-N 2 1 237.351 0.921 20 0 BCADMP Cc1nc2n(n1)CC[N@@H+](CCCCCC[NH3+])C2 ZINC000846220485 588261441 /nfs/dbraw/zinc/26/14/41/588261441.db2.gz QVZONVOEQDITTI-UHFFFAOYSA-N 2 1 237.351 0.921 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000846648274 588280715 /nfs/dbraw/zinc/28/07/15/588280715.db2.gz QVYGKXPKKNHKBF-SNVBAGLBSA-N 2 1 241.335 0.080 20 0 BCADMP CC[NH2+]CC(=O)NCCC[N@@H+](C)CC(C)C ZINC000846686412 588283013 /nfs/dbraw/zinc/28/30/13/588283013.db2.gz IPNHFOPIUBDUSS-UHFFFAOYSA-N 2 1 229.368 0.690 20 0 BCADMP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC(=O)N1 ZINC000848600942 588401483 /nfs/dbraw/zinc/40/14/83/588401483.db2.gz OIXMZOJJHAHEDW-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC(=O)N1 ZINC000848600942 588401484 /nfs/dbraw/zinc/40/14/84/588401484.db2.gz OIXMZOJJHAHEDW-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000848986951 588425653 /nfs/dbraw/zinc/42/56/53/588425653.db2.gz BPSRWALHOWPIGC-VHSXEESVSA-N 2 1 212.341 0.851 20 0 BCADMP COCCNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000848987663 588426424 /nfs/dbraw/zinc/42/64/24/588426424.db2.gz OKAYMRZVOGLRFM-LLVKDONJSA-N 2 1 242.367 0.479 20 0 BCADMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC1 ZINC000848992592 588427951 /nfs/dbraw/zinc/42/79/51/588427951.db2.gz LAMHVSWVPHHURP-SNVBAGLBSA-N 2 1 222.336 0.701 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000848993176 588428013 /nfs/dbraw/zinc/42/80/13/588428013.db2.gz CZNVBQYFHPWHMK-NSHDSACASA-N 2 1 244.383 0.867 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996629 588429257 /nfs/dbraw/zinc/42/92/57/588429257.db2.gz LEZJRFOYYMOCNK-RKDXNWHRSA-N 2 1 216.329 0.085 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996620 588429271 /nfs/dbraw/zinc/42/92/71/588429271.db2.gz KRISKGMKYBUVLG-IUCAKERBSA-N 2 1 200.330 0.849 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+](C)C ZINC000848996768 588429548 /nfs/dbraw/zinc/42/95/48/588429548.db2.gz YPYPQQVKDFVRBK-JTQLQIEISA-N 2 1 212.341 0.947 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848996665 588429599 /nfs/dbraw/zinc/42/95/99/588429599.db2.gz OADTWKPHUOTBPU-UWVGGRQHSA-N 2 1 228.340 0.182 20 0 BCADMP CCN(CC)C(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996632 588429731 /nfs/dbraw/zinc/42/97/31/588429731.db2.gz LIQFRNHDEPTQQM-SECBINFHSA-N 2 1 200.330 0.803 20 0 BCADMP C[C@H]1CN(C(=[NH2+])NCC[N@H+](C)C2CC2)CCO1 ZINC000848997617 588429740 /nfs/dbraw/zinc/42/97/40/588429740.db2.gz UJAIITCSKZXVKI-JTQLQIEISA-N 2 1 240.351 0.326 20 0 BCADMP C[C@H]1CN(C(=[NH2+])NCC[N@@H+](C)C2CC2)CCO1 ZINC000848997617 588429742 /nfs/dbraw/zinc/42/97/42/588429742.db2.gz UJAIITCSKZXVKI-JTQLQIEISA-N 2 1 240.351 0.326 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000994 588430753 /nfs/dbraw/zinc/43/07/53/588430753.db2.gz NGLZSZXWEXWMSM-JTQLQIEISA-N 2 1 212.341 0.947 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCC1 ZINC000848999870 588430415 /nfs/dbraw/zinc/43/04/15/588430415.db2.gz CZLDNNVOJZMTKD-UHFFFAOYSA-N 2 1 207.281 0.422 20 0 BCADMP [NH2+]=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC1 ZINC000849000280 588430456 /nfs/dbraw/zinc/43/04/56/588430456.db2.gz OVUYXZNHPFQZQK-QWRGUYRKSA-N 2 1 238.335 0.080 20 0 BCADMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCC2)CCSC1 ZINC000849004033 588431703 /nfs/dbraw/zinc/43/17/03/588431703.db2.gz UYBMCIHQKAFSMY-LLVKDONJSA-N 2 1 242.392 0.654 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849004779 588431979 /nfs/dbraw/zinc/43/19/79/588431979.db2.gz ZEDSVNROSHSDID-VIFPVBQESA-N 2 1 210.325 0.605 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005268 588432044 /nfs/dbraw/zinc/43/20/44/588432044.db2.gz JFMWYSDLYZABAV-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP CN1CCC[NH+]=C1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020368 588438474 /nfs/dbraw/zinc/43/84/74/588438474.db2.gz AFODESDJQOZWHD-SNVBAGLBSA-N 2 1 233.319 0.479 20 0 BCADMP CCNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849022529 588439401 /nfs/dbraw/zinc/43/94/01/588439401.db2.gz GWRGCRMWTWYXKZ-LLVKDONJSA-N 2 1 242.367 0.621 20 0 BCADMP CCNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028206 588441341 /nfs/dbraw/zinc/44/13/41/588441341.db2.gz KAFAUMXIMCWDLN-UHFFFAOYSA-N 2 1 229.372 0.004 20 0 BCADMP CCNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028206 588441342 /nfs/dbraw/zinc/44/13/42/588441342.db2.gz KAFAUMXIMCWDLN-UHFFFAOYSA-N 2 1 229.372 0.004 20 0 BCADMP COCCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039746 588447294 /nfs/dbraw/zinc/44/72/94/588447294.db2.gz PXUMVSNRJIHLLO-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP Cc1[nH+]ccn1CCCNC1=[NH+]CCCCN1 ZINC000849215517 588462160 /nfs/dbraw/zinc/46/21/60/588462160.db2.gz OFBQGWMTQFSDKI-UHFFFAOYSA-N 2 1 235.335 0.911 20 0 BCADMP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000851732385 588619701 /nfs/dbraw/zinc/61/97/01/588619701.db2.gz PEGWDHRXZHNBGE-NTZNESFSSA-N 2 1 233.315 0.266 20 0 BCADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000851732385 588619702 /nfs/dbraw/zinc/61/97/02/588619702.db2.gz PEGWDHRXZHNBGE-NTZNESFSSA-N 2 1 233.315 0.266 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CNC(=O)C1 ZINC000852008683 588654888 /nfs/dbraw/zinc/65/48/88/588654888.db2.gz WPKGCAVUBMEQGK-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](CCn3ccnc3)C2)N1 ZINC000852297670 588677193 /nfs/dbraw/zinc/67/71/93/588677193.db2.gz MGFXBRBHUPXTEE-UHFFFAOYSA-N 2 1 246.314 0.753 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562048 588690704 /nfs/dbraw/zinc/69/07/04/588690704.db2.gz ZQLPLMZCLFTMOY-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562048 588690705 /nfs/dbraw/zinc/69/07/05/588690705.db2.gz ZQLPLMZCLFTMOY-RWMBFGLXSA-N 2 1 242.363 0.288 20 0 BCADMP CN1CCC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743536 588698619 /nfs/dbraw/zinc/69/86/19/588698619.db2.gz DYJWCSKOXSNWJX-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C([C@H]1CNCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746339 588698835 /nfs/dbraw/zinc/69/88/35/588698835.db2.gz IZXPQQNVGJOTTR-GFCCVEGCSA-N 3 1 239.363 0.050 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000852801449 588704613 /nfs/dbraw/zinc/70/46/13/588704613.db2.gz LKXODXOLLUOKAZ-NSHDSACASA-N 2 1 229.368 0.831 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000852823233 588705637 /nfs/dbraw/zinc/70/56/37/588705637.db2.gz CVWBHSXDALDEPC-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000852823229 588705782 /nfs/dbraw/zinc/70/57/82/588705782.db2.gz CUQSGCSJOJTQFH-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824067 588705824 /nfs/dbraw/zinc/70/58/24/588705824.db2.gz OZKXTVOVVGETQX-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858785 588708946 /nfs/dbraw/zinc/70/89/46/588708946.db2.gz HCHSQSAWQBMRDW-GFCCVEGCSA-N 2 1 237.347 0.364 20 0 BCADMP C[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852874547 588709174 /nfs/dbraw/zinc/70/91/74/588709174.db2.gz RHGBKSIGWPYARA-UHFFFAOYSA-N 2 1 223.320 0.070 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000852900529 588712229 /nfs/dbraw/zinc/71/22/29/588712229.db2.gz XWAJWBRAHCKUJA-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000861575820 589168996 /nfs/dbraw/zinc/16/89/96/589168996.db2.gz RNUHDMOFSVQDGS-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]([NH3+])CN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000863652702 589307841 /nfs/dbraw/zinc/30/78/41/589307841.db2.gz WIJHPROHDKYGKZ-SECBINFHSA-N 2 1 242.392 0.984 20 0 BCADMP C[N@@H+](CC(=O)N[C@H]1CCn2ccnc21)C1CCC1 ZINC000863920684 589326395 /nfs/dbraw/zinc/32/63/95/589326395.db2.gz VNIPLMVPROIUJH-NSHDSACASA-N 2 1 248.330 0.928 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864451785 589365348 /nfs/dbraw/zinc/36/53/48/589365348.db2.gz JSQJALGPQPMFQM-FOGDFJRCSA-N 2 1 236.363 0.993 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864455936 589366965 /nfs/dbraw/zinc/36/69/65/589366965.db2.gz AYBAKMURVDBRQM-NXEZZACHSA-N 2 1 212.341 0.849 20 0 BCADMP C[C@@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000864457388 589367421 /nfs/dbraw/zinc/36/74/21/589367421.db2.gz SCPURTPGBXFWBD-WCABBAIRSA-N 2 1 224.352 0.991 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000864464432 589370457 /nfs/dbraw/zinc/37/04/57/589370457.db2.gz VXJWDWIRAINVGS-MNOVXSKESA-N 2 1 240.351 0.231 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000864464432 589370460 /nfs/dbraw/zinc/37/04/60/589370460.db2.gz VXJWDWIRAINVGS-MNOVXSKESA-N 2 1 240.351 0.231 20 0 BCADMP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH2+]C ZINC000866685830 589511671 /nfs/dbraw/zinc/51/16/71/589511671.db2.gz ZOJOUCVBERPYBQ-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CNC(=O)NC[C@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000866685830 589511672 /nfs/dbraw/zinc/51/16/72/589511672.db2.gz ZOJOUCVBERPYBQ-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000866697829 589512646 /nfs/dbraw/zinc/51/26/46/589512646.db2.gz ZKQITLRKIFGMEG-NSHDSACASA-N 2 1 249.362 0.839 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000866697829 589512648 /nfs/dbraw/zinc/51/26/48/589512648.db2.gz ZKQITLRKIFGMEG-NSHDSACASA-N 2 1 249.362 0.839 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000870866234 589692218 /nfs/dbraw/zinc/69/22/18/589692218.db2.gz OVLWCLIQVQONAC-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000870963091 589701757 /nfs/dbraw/zinc/70/17/57/589701757.db2.gz HGPQVWVXUKBVIH-CHWFTXMASA-N 2 1 225.336 0.180 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967529 589702949 /nfs/dbraw/zinc/70/29/49/589702949.db2.gz ZHNISZDMLMQSDC-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970876 589703359 /nfs/dbraw/zinc/70/33/59/589703359.db2.gz NHWKMQDSTVZLJS-GMTAPVOTSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980759 589704531 /nfs/dbraw/zinc/70/45/31/589704531.db2.gz BOIJITJJODSUFE-NNYUYHANSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000870981053 589704568 /nfs/dbraw/zinc/70/45/68/589704568.db2.gz FMFDSKMOAGJPCI-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983277 589705140 /nfs/dbraw/zinc/70/51/40/589705140.db2.gz URCQBMKJBQECQS-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000870983623 589705269 /nfs/dbraw/zinc/70/52/69/589705269.db2.gz WYNDQZZZEHZDEV-NXEZZACHSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000870983626 589705552 /nfs/dbraw/zinc/70/55/52/589705552.db2.gz WYNDQZZZEHZDEV-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000871604945 589774440 /nfs/dbraw/zinc/77/44/40/589774440.db2.gz JQVSIPXLEHFORV-LLVKDONJSA-N 2 1 242.367 0.431 20 0 BCADMP FC(F)[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000872146474 589884808 /nfs/dbraw/zinc/88/48/08/589884808.db2.gz OUBIXQALJQIPPW-NXEZZACHSA-N 2 1 234.290 0.952 20 0 BCADMP CN1CCC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154535 589886302 /nfs/dbraw/zinc/88/63/02/589886302.db2.gz SFTPPJUJYXBWQO-DMDPSCGWSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204360 589891822 /nfs/dbraw/zinc/89/18/22/589891822.db2.gz OUHSBDPRZYLEEP-GRYCIOLGSA-N 2 1 244.379 0.581 20 0 BCADMP C[C@@H](O)CNc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 ZINC000872775436 589968432 /nfs/dbraw/zinc/96/84/32/589968432.db2.gz RLJNOMBUQKGMBL-JGVFFNPUSA-N 2 1 225.296 0.028 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873200761 589993372 /nfs/dbraw/zinc/99/33/72/589993372.db2.gz FRNBWYQPJTXIAV-NXEZZACHSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873200761 589993373 /nfs/dbraw/zinc/99/33/73/589993373.db2.gz FRNBWYQPJTXIAV-NXEZZACHSA-N 2 1 235.335 0.618 20 0 BCADMP C(N[C@@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229786 590002142 /nfs/dbraw/zinc/00/21/42/590002142.db2.gz FZLILNFPHUWCEF-CHWSQXEVSA-N 2 1 223.364 0.860 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873236645 590004352 /nfs/dbraw/zinc/00/43/52/590004352.db2.gz ZAZZQXRAFRJVSD-SRVKXCTJSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000873236645 590004354 /nfs/dbraw/zinc/00/43/54/590004354.db2.gz ZAZZQXRAFRJVSD-SRVKXCTJSA-N 2 1 243.395 0.547 20 0 BCADMP CC(C)(O)C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000873236160 590004900 /nfs/dbraw/zinc/00/49/00/590004900.db2.gz VIYMKUXBLJPBKG-QJPTWQEYSA-N 2 1 241.379 0.301 20 0 BCADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250325 590007272 /nfs/dbraw/zinc/00/72/72/590007272.db2.gz OYBZJBKTPKJQEN-KXNHARMFSA-N 2 1 211.353 0.973 20 0 BCADMP N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250328 590008183 /nfs/dbraw/zinc/00/81/83/590008183.db2.gz OYBZJBKTPKJQEN-WRWGMCAJSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000873253615 590009791 /nfs/dbraw/zinc/00/97/91/590009791.db2.gz BEDGFMGGTHTRSE-WYUUTHIRSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000873253615 590009793 /nfs/dbraw/zinc/00/97/93/590009793.db2.gz BEDGFMGGTHTRSE-WYUUTHIRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000873255041 590010063 /nfs/dbraw/zinc/01/00/63/590010063.db2.gz DOJLAMDPNRNJCK-FIQHERPVSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873269259 590015433 /nfs/dbraw/zinc/01/54/33/590015433.db2.gz FFKIDKBPSUTFHG-USWWRNFRSA-N 2 1 211.353 0.844 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1nonc1C ZINC000873295497 590023853 /nfs/dbraw/zinc/02/38/53/590023853.db2.gz IQXFCQCHPMBPRR-SECBINFHSA-N 2 1 228.296 0.222 20 0 BCADMP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+](C)C ZINC000874822162 590141098 /nfs/dbraw/zinc/14/10/98/590141098.db2.gz GKIBRNVPZUCDEM-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000876883017 590252680 /nfs/dbraw/zinc/25/26/80/590252680.db2.gz XUUNWTXYSVZSKF-ONKIFHLLSA-N 2 1 234.303 0.438 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000876884590 590253639 /nfs/dbraw/zinc/25/36/39/590253639.db2.gz FCQCXFAUAWRFCG-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)C1CC1 ZINC000876949631 590259941 /nfs/dbraw/zinc/25/99/41/590259941.db2.gz TYRKLLXDGJRMRK-NEPJUHHUSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188113 590298955 /nfs/dbraw/zinc/29/89/55/590298955.db2.gz PGZMSXVTXPJWCP-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH3+])C1)CC(C)(C)C ZINC000877244749 590303154 /nfs/dbraw/zinc/30/31/54/590303154.db2.gz NAROLZDEMLJIKS-XYPYZODXSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@@H]21 ZINC000877248873 590303603 /nfs/dbraw/zinc/30/36/03/590303603.db2.gz FZRQFUUYMUCGKB-BNDIWNMDSA-N 2 1 249.358 0.004 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000877250926 590303722 /nfs/dbraw/zinc/30/37/22/590303722.db2.gz UISCTNDRLRNODL-ZJUUUORDSA-N 2 1 223.320 0.030 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877249100 590303848 /nfs/dbraw/zinc/30/38/48/590303848.db2.gz HSRHTRMECMLYCI-AGIUHOORSA-N 2 1 249.358 0.587 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000877250925 590303921 /nfs/dbraw/zinc/30/39/21/590303921.db2.gz UISCTNDRLRNODL-VHSXEESVSA-N 2 1 223.320 0.030 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450964 590329003 /nfs/dbraw/zinc/32/90/03/590329003.db2.gz IVCFKYXEWYGITQ-NAWOPXAZSA-N 2 1 249.358 0.432 20 0 BCADMP Cc1nccn1CCC[N@H+](C)CCn1cnnn1 ZINC000878287781 590533932 /nfs/dbraw/zinc/53/39/32/590533932.db2.gz IRTZYBNQUKZXJR-UHFFFAOYSA-N 2 1 249.322 0.200 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cnnn1 ZINC000878287781 590533935 /nfs/dbraw/zinc/53/39/35/590533935.db2.gz IRTZYBNQUKZXJR-UHFFFAOYSA-N 2 1 249.322 0.200 20 0 BCADMP CN(C)C[C@]1(O)CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000878864803 590635535 /nfs/dbraw/zinc/63/55/35/590635535.db2.gz AJXFPTATBKYHGR-QWHCGFSZSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000878864803 590635537 /nfs/dbraw/zinc/63/55/37/590635537.db2.gz AJXFPTATBKYHGR-QWHCGFSZSA-N 2 1 242.363 0.146 20 0 BCADMP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCCC1 ZINC000127633420 590725866 /nfs/dbraw/zinc/72/58/66/590725866.db2.gz JGUKRXRLMMUATO-UHFFFAOYSA-N 2 1 234.303 0.489 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580009 590817823 /nfs/dbraw/zinc/81/78/23/590817823.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580009 590817821 /nfs/dbraw/zinc/81/78/21/590817821.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 2 1 244.404 0.736 20 0 BCADMP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580009 590817827 /nfs/dbraw/zinc/81/78/27/590817827.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 2 1 244.404 0.736 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579244 590818877 /nfs/dbraw/zinc/81/88/77/590818877.db2.gz KMCKYSDMHQMKSU-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579244 590818881 /nfs/dbraw/zinc/81/88/81/590818881.db2.gz KMCKYSDMHQMKSU-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579244 590818885 /nfs/dbraw/zinc/81/88/85/590818885.db2.gz KMCKYSDMHQMKSU-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC000879579244 590818886 /nfs/dbraw/zinc/81/88/86/590818886.db2.gz KMCKYSDMHQMKSU-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nn1 ZINC000879579565 590819148 /nfs/dbraw/zinc/81/91/48/590819148.db2.gz NZOOPXLXAJUZJT-AAEUAGOBSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)nn1 ZINC000879579565 590819139 /nfs/dbraw/zinc/81/91/39/590819139.db2.gz NZOOPXLXAJUZJT-AAEUAGOBSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)nn1 ZINC000879579565 590819144 /nfs/dbraw/zinc/81/91/44/590819144.db2.gz NZOOPXLXAJUZJT-AAEUAGOBSA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)nn1 ZINC000879579565 590819145 /nfs/dbraw/zinc/81/91/45/590819145.db2.gz NZOOPXLXAJUZJT-AAEUAGOBSA-N 2 1 249.362 0.384 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)C1(COC)CCC1 ZINC000880185175 590952318 /nfs/dbraw/zinc/95/23/18/590952318.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)C1(COC)CCC1 ZINC000880185175 590952319 /nfs/dbraw/zinc/95/23/19/590952319.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C1(COC)CCC1 ZINC000880185175 590952322 /nfs/dbraw/zinc/95/23/22/590952322.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000880443328 591044622 /nfs/dbraw/zinc/04/46/22/591044622.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)N1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000880443328 591044630 /nfs/dbraw/zinc/04/46/30/591044630.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)N1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000880443328 591044632 /nfs/dbraw/zinc/04/46/32/591044632.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000880443328 591044635 /nfs/dbraw/zinc/04/46/35/591044635.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000880443328 591044638 /nfs/dbraw/zinc/04/46/38/591044638.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000880443328 591044643 /nfs/dbraw/zinc/04/46/43/591044643.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000880443328 591044648 /nfs/dbraw/zinc/04/46/48/591044648.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473954 591053884 /nfs/dbraw/zinc/05/38/84/591053884.db2.gz QYHIDHFFQGEXCU-NSHDSACASA-N 2 1 212.337 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882485465 591361197 /nfs/dbraw/zinc/36/11/97/591361197.db2.gz SSDAHKQAHRPZKZ-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CC)C1CC1 ZINC000882489809 591366299 /nfs/dbraw/zinc/36/62/99/591366299.db2.gz UYZILXDWCVNXOX-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CC)C1CC1 ZINC000882489809 591366303 /nfs/dbraw/zinc/36/63/03/591366303.db2.gz UYZILXDWCVNXOX-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CC)C1CC1 ZINC000882489809 591366307 /nfs/dbraw/zinc/36/63/07/591366307.db2.gz UYZILXDWCVNXOX-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000882960638 591485015 /nfs/dbraw/zinc/48/50/15/591485015.db2.gz QRQBQOCBOMZDTM-SECBINFHSA-N 2 1 234.303 0.109 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000882960638 591485017 /nfs/dbraw/zinc/48/50/17/591485017.db2.gz QRQBQOCBOMZDTM-SECBINFHSA-N 2 1 234.303 0.109 20 0 BCADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130898195 591533592 /nfs/dbraw/zinc/53/35/92/591533592.db2.gz CXXKQRFHVIBSDX-TUAOUCFPSA-N 2 1 234.347 0.979 20 0 BCADMP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130898195 591533595 /nfs/dbraw/zinc/53/35/95/591533595.db2.gz CXXKQRFHVIBSDX-TUAOUCFPSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@H](F)CN2)CC1 ZINC000883417383 591652536 /nfs/dbraw/zinc/65/25/36/591652536.db2.gz YMFBHOHOJPOBFR-DLOVCJGASA-N 2 1 229.343 0.746 20 0 BCADMP CC1(C)C[C@@H](C[N@H+](CC[NH3+])CCO)C(C)(C)O1 ZINC000883425340 591658541 /nfs/dbraw/zinc/65/85/41/591658541.db2.gz RZWDZCAWUUNXSJ-NSHDSACASA-N 2 1 244.379 0.833 20 0 BCADMP CC1(C)C[C@@H](C[N@@H+](CC[NH3+])CCO)C(C)(C)O1 ZINC000883425340 591658542 /nfs/dbraw/zinc/65/85/42/591658542.db2.gz RZWDZCAWUUNXSJ-NSHDSACASA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCN1CCOC1=O ZINC000883429956 591662224 /nfs/dbraw/zinc/66/22/24/591662224.db2.gz KBAIOMHEGWMWRN-SECBINFHSA-N 2 1 229.324 0.402 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433706 591663711 /nfs/dbraw/zinc/66/37/11/591663711.db2.gz XDWUGIGMSKDOKL-CYBMUJFWSA-N 2 1 234.347 0.791 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CF)C1 ZINC000883447052 591670400 /nfs/dbraw/zinc/67/04/00/591670400.db2.gz RNTZUQUGSMQYEO-GHMZBOCLSA-N 2 1 218.316 0.638 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883461933 591673669 /nfs/dbraw/zinc/67/36/69/591673669.db2.gz GJVXVPZMNNXDOT-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883461933 591673672 /nfs/dbraw/zinc/67/36/72/591673672.db2.gz GJVXVPZMNNXDOT-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461161 591673713 /nfs/dbraw/zinc/67/37/13/591673713.db2.gz OWCPSWAALDXYTK-YNEHKIRRSA-N 2 1 242.363 0.722 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883462653 591674011 /nfs/dbraw/zinc/67/40/11/591674011.db2.gz WTCBDPKYRAASMJ-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883462653 591674013 /nfs/dbraw/zinc/67/40/13/591674013.db2.gz WTCBDPKYRAASMJ-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC[NH3+] ZINC000883462552 591674085 /nfs/dbraw/zinc/67/40/85/591674085.db2.gz UDIQGLLMJDHCNS-VIFPVBQESA-N 2 1 201.314 0.167 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCC[NH3+] ZINC000883462552 591674087 /nfs/dbraw/zinc/67/40/87/591674087.db2.gz UDIQGLLMJDHCNS-VIFPVBQESA-N 2 1 201.314 0.167 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883461027 591674647 /nfs/dbraw/zinc/67/46/47/591674647.db2.gz MKYYDODJZWPLHJ-GRYCIOLGSA-N 2 1 228.336 0.332 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000883679278 591717487 /nfs/dbraw/zinc/71/74/87/591717487.db2.gz FNYVQTLQAGBJFE-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132968254 591751593 /nfs/dbraw/zinc/75/15/93/591751593.db2.gz SIHOOBDCXLALAL-KXUCPTDWSA-N 2 1 213.325 0.323 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000884198417 591871948 /nfs/dbraw/zinc/87/19/48/591871948.db2.gz WDPGFNZDJGJLSV-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358760 591913069 /nfs/dbraw/zinc/91/30/69/591913069.db2.gz XOLXHRSONUOCBH-NXEZZACHSA-N 2 1 227.352 0.569 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C[NH3+])OC ZINC000884424845 591930483 /nfs/dbraw/zinc/93/04/83/591930483.db2.gz MBRSNQLQCADSFD-JTQLQIEISA-N 2 1 245.367 0.197 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH3+] ZINC000219691780 592239529 /nfs/dbraw/zinc/23/95/29/592239529.db2.gz OVBFJUWYLHPTKI-UHFFFAOYSA-N 2 1 210.281 0.047 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)CCO1 ZINC000886833016 592357455 /nfs/dbraw/zinc/35/74/55/592357455.db2.gz ROWPBXLFJOOWHA-UTUOFQBUSA-N 2 1 226.320 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)CCO1 ZINC000886833016 592357460 /nfs/dbraw/zinc/35/74/60/592357460.db2.gz ROWPBXLFJOOWHA-UTUOFQBUSA-N 2 1 226.320 0.073 20 0 BCADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838323 592359279 /nfs/dbraw/zinc/35/92/79/592359279.db2.gz VJEKRDUEJNWNLJ-YYJSSNLHSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000886841889 592362671 /nfs/dbraw/zinc/36/26/71/592362671.db2.gz ZKBDVKWXQLZVHZ-XJFOESAGSA-N 2 1 236.359 0.954 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841374 592363645 /nfs/dbraw/zinc/36/36/45/592363645.db2.gz JLPSCWLKLLQGJK-NOOOWODRSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841374 592363647 /nfs/dbraw/zinc/36/36/47/592363647.db2.gz JLPSCWLKLLQGJK-NOOOWODRSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875827 592365495 /nfs/dbraw/zinc/36/54/95/592365495.db2.gz IUXYTMNLPSZOGO-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C([C@H]1CNCCO1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859956 592372043 /nfs/dbraw/zinc/37/20/43/592372043.db2.gz LURNNICIPLGZPZ-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871939 592377583 /nfs/dbraw/zinc/37/75/83/592377583.db2.gz FUNUOXHWLKJRMH-LBPRGKRZSA-N 3 1 211.353 0.801 20 0 BCADMP [NH3+]CCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871939 592377587 /nfs/dbraw/zinc/37/75/87/592377587.db2.gz FUNUOXHWLKJRMH-LBPRGKRZSA-N 2 1 211.353 0.801 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCC(F)F ZINC000887348681 592484761 /nfs/dbraw/zinc/48/47/61/592484761.db2.gz SUESSYCYYNTITO-UHFFFAOYSA-N 2 1 245.277 0.961 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887350142 592485307 /nfs/dbraw/zinc/48/53/07/592485307.db2.gz VXKCFRAOIGFNMN-UHFFFAOYSA-N 2 1 242.367 0.479 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887350184 592485417 /nfs/dbraw/zinc/48/54/17/592485417.db2.gz XYWMPPHNYPKZPD-JTQLQIEISA-N 2 1 210.325 0.462 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887352736 592485438 /nfs/dbraw/zinc/48/54/38/592485438.db2.gz MAXUFJSFKOIQBE-UHFFFAOYSA-N 2 1 234.294 0.850 20 0 BCADMP C[C@H](CNC(=[NH2+])NCC(F)F)[NH+](C)C ZINC000887351051 592485853 /nfs/dbraw/zinc/48/58/53/592485853.db2.gz DPEQIKDZGYOLAZ-ZCFIWIBFSA-N 2 1 208.256 0.316 20 0 BCADMP Cc1[nH+]ccn1CCNC(=[NH2+])NCC1CC1 ZINC000887352839 592486024 /nfs/dbraw/zinc/48/60/24/592486024.db2.gz PZXKSHCKQBBHKK-UHFFFAOYSA-N 2 1 221.308 0.715 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353826 592487049 /nfs/dbraw/zinc/48/70/49/592487049.db2.gz DSIVEEYGKIWDIW-MRVPVSSYSA-N 2 1 234.294 0.707 20 0 BCADMP C[N@@H+]1CC=C(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887356841 592488386 /nfs/dbraw/zinc/48/83/86/592488386.db2.gz RZNUGSPCBNJWPZ-UHFFFAOYSA-N 2 1 222.336 0.772 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000890065109 592674954 /nfs/dbraw/zinc/67/49/54/592674954.db2.gz ACVGBTDBFAVMME-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925710630 634407287 /nfs/dbraw/zinc/40/72/87/634407287.db2.gz QIRYZHXNSYZHCR-GMTAPVOTSA-N 2 1 211.353 0.973 20 0 BCADMP [NH3+]CCCCCCN[C@H]1C[NH2+]CCOC1 ZINC000925714423 634425245 /nfs/dbraw/zinc/42/52/45/634425245.db2.gz YLHKZLOBGKVVJC-NSHDSACASA-N 2 1 215.341 0.084 20 0 BCADMP [NH3+]CCCCCCN[C@@H]1C[NH2+]CCOC1 ZINC000925714422 634425745 /nfs/dbraw/zinc/42/57/45/634425745.db2.gz YLHKZLOBGKVVJC-LLVKDONJSA-N 2 1 215.341 0.084 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CC3OCCO3)C[C@@H]2C1 ZINC000931438495 634455338 /nfs/dbraw/zinc/45/53/38/634455338.db2.gz KRGNNPGFLXDZJZ-MNOVXSKESA-N 2 1 226.320 0.243 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CC3OCCO3)C[C@@H]2C1 ZINC000931438495 634455341 /nfs/dbraw/zinc/45/53/41/634455341.db2.gz KRGNNPGFLXDZJZ-MNOVXSKESA-N 2 1 226.320 0.243 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3OCCO3)C[C@@H]2C1 ZINC000931438495 634455343 /nfs/dbraw/zinc/45/53/43/634455343.db2.gz KRGNNPGFLXDZJZ-MNOVXSKESA-N 2 1 226.320 0.243 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925721274 634460492 /nfs/dbraw/zinc/46/04/92/634460492.db2.gz BRKFZNFMTSWYPG-ADEWGFFLSA-N 2 1 238.331 0.978 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000925723183 634461356 /nfs/dbraw/zinc/46/13/56/634461356.db2.gz OIMJNYSNROIZNQ-UTUOFQBUSA-N 2 1 211.353 0.811 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257712261 634477239 /nfs/dbraw/zinc/47/72/39/634477239.db2.gz TVPFLUUUKQIVCI-LBPRGKRZSA-N 3 1 223.364 0.671 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000257717870 634478715 /nfs/dbraw/zinc/47/87/15/634478715.db2.gz SHEYNKMZALXDLY-NEPJUHHUSA-N 2 1 239.363 0.526 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253189708 634525553 /nfs/dbraw/zinc/52/55/53/634525553.db2.gz KMKGOMRYYQFERW-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253189708 634525556 /nfs/dbraw/zinc/52/55/56/634525556.db2.gz KMKGOMRYYQFERW-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CCCn1ncnc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125511574 634526770 /nfs/dbraw/zinc/52/67/70/634526770.db2.gz KUKPLSOEIMKPSS-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP CCCn1ncnc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125511574 634526776 /nfs/dbraw/zinc/52/67/76/634526776.db2.gz KUKPLSOEIMKPSS-LLVKDONJSA-N 2 1 237.351 0.859 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125567631 634555557 /nfs/dbraw/zinc/55/55/57/634555557.db2.gz UWPDXNRDSQTOHX-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125567226 634556322 /nfs/dbraw/zinc/55/63/22/634556322.db2.gz UWPDXNRDSQTOHX-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CC[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098139 634565355 /nfs/dbraw/zinc/56/53/55/634565355.db2.gz RXEWJOVHDZXXNO-ZJUUUORDSA-N 2 1 236.319 0.956 20 0 BCADMP C[NH2+][C@@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000258156460 634580082 /nfs/dbraw/zinc/58/00/82/634580082.db2.gz WNRKDFPISMQYIZ-QMMMGPOBSA-N 2 1 224.308 0.892 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000054108815 635388732 /nfs/dbraw/zinc/38/87/32/635388732.db2.gz WUKSZVHMMHDIPY-UHFFFAOYSA-N 2 1 200.330 0.849 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000062010566 635459312 /nfs/dbraw/zinc/45/93/12/635459312.db2.gz HDGSPWXFZRAZJX-UHFFFAOYSA-N 2 1 212.341 0.993 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000062010566 635459317 /nfs/dbraw/zinc/45/93/17/635459317.db2.gz HDGSPWXFZRAZJX-UHFFFAOYSA-N 2 1 212.341 0.993 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532137 635462017 /nfs/dbraw/zinc/46/20/17/635462017.db2.gz KDIJGZARARVOFE-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229255305 635467989 /nfs/dbraw/zinc/46/79/89/635467989.db2.gz VYSOBWKLKZBVPD-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251524279 635566070 /nfs/dbraw/zinc/56/60/70/635566070.db2.gz JRAGREYLGPEALV-HBNTYKKESA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251524279 635566077 /nfs/dbraw/zinc/56/60/77/635566077.db2.gz JRAGREYLGPEALV-HBNTYKKESA-N 2 1 216.325 0.195 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000054133528 635610249 /nfs/dbraw/zinc/61/02/49/635610249.db2.gz AWLZUWFCLZMHGR-UHFFFAOYSA-N 2 1 229.368 0.962 20 0 BCADMP C[N@H+]1CC[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098132 631353237 /nfs/dbraw/zinc/35/32/37/631353237.db2.gz RXEWJOVHDZXXNO-NXEZZACHSA-N 2 1 236.319 0.956 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]CC1(O)CCC1 ZINC000131217896 631478404 /nfs/dbraw/zinc/47/84/04/631478404.db2.gz GDJSYGWSKRHKNA-UHFFFAOYSA-N 2 1 209.293 0.696 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933733587 631494396 /nfs/dbraw/zinc/49/43/96/631494396.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933733587 631494399 /nfs/dbraw/zinc/49/43/99/631494399.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 2 1 242.363 0.531 20 0 BCADMP COC[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933733587 631494405 /nfs/dbraw/zinc/49/44/05/631494405.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 2 1 242.363 0.531 20 0 BCADMP CN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933740901 631498459 /nfs/dbraw/zinc/49/84/59/631498459.db2.gz PCZQHHVDHOFWBG-MDZLAQPJSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933740901 631498464 /nfs/dbraw/zinc/49/84/64/631498464.db2.gz PCZQHHVDHOFWBG-MDZLAQPJSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000933740901 631498469 /nfs/dbraw/zinc/49/84/69/631498469.db2.gz PCZQHHVDHOFWBG-MDZLAQPJSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000933740901 631498474 /nfs/dbraw/zinc/49/84/74/631498474.db2.gz PCZQHHVDHOFWBG-MDZLAQPJSA-N 2 1 237.347 0.101 20 0 BCADMP C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000308735721 631558669 /nfs/dbraw/zinc/55/86/69/631558669.db2.gz ZUYYQPGKNOMMSW-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000308735721 631558673 /nfs/dbraw/zinc/55/86/73/631558673.db2.gz ZUYYQPGKNOMMSW-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000308807856 631663210 /nfs/dbraw/zinc/66/32/10/631663210.db2.gz PLOXQKBMFZYHIL-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCCNC(=O)C1 ZINC000308820616 631712017 /nfs/dbraw/zinc/71/20/17/631712017.db2.gz CDUKEENADREBPV-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309008533 631801573 /nfs/dbraw/zinc/80/15/73/631801573.db2.gz QUZZPVNYAJVTIO-AXFHLTTASA-N 2 1 200.326 0.817 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022713236 631811317 /nfs/dbraw/zinc/81/13/17/631811317.db2.gz IMWYFKIDEAGHCO-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004788 631902969 /nfs/dbraw/zinc/90/29/69/631902969.db2.gz ZUGSSHGJPPXZJF-MNOVXSKESA-N 2 1 242.367 0.477 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCC1)C[NH+]1CCOCC1 ZINC000849005437 631907273 /nfs/dbraw/zinc/90/72/73/631907273.db2.gz DYBZWXMHFKHIBN-NSHDSACASA-N 2 1 240.351 0.185 20 0 BCADMP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+]1C ZINC000309167658 631926276 /nfs/dbraw/zinc/92/62/76/631926276.db2.gz ABKNWAOSAUZZIC-ZJUUUORDSA-N 2 1 235.322 0.995 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309316682 631990790 /nfs/dbraw/zinc/99/07/90/631990790.db2.gz YWTQWQHGPPXNGH-QJPTWQEYSA-N 2 1 228.336 0.068 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919001 632012553 /nfs/dbraw/zinc/01/25/53/632012553.db2.gz GYHRMVXVMKEKQG-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052041555 632050915 /nfs/dbraw/zinc/05/09/15/632050915.db2.gz DAXKFASOWZCOHW-UHFFFAOYSA-N 2 1 242.367 0.479 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052042170 632054067 /nfs/dbraw/zinc/05/40/67/632054067.db2.gz VLHGMHGZHBGQDK-SNVBAGLBSA-N 2 1 224.352 0.993 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042203 632054343 /nfs/dbraw/zinc/05/43/43/632054343.db2.gz OVVPIPCPMPVDPX-SECBINFHSA-N 2 1 212.341 0.851 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086379 632126524 /nfs/dbraw/zinc/12/65/24/632126524.db2.gz KFNHZXJHDSJNLK-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023093889 632130488 /nfs/dbraw/zinc/13/04/88/632130488.db2.gz RWFZOZHLLGXDSF-PHIMTYICSA-N 2 1 236.319 0.448 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000309502753 632419163 /nfs/dbraw/zinc/41/91/63/632419163.db2.gz BGEZSFXBKJQITK-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH2+]Cc1nc(C2([NH3+])CCCC2)no1 ZINC000309515524 632434574 /nfs/dbraw/zinc/43/45/74/632434574.db2.gz YNQQLCSQVVLBGS-UHFFFAOYSA-N 2 1 210.281 0.907 20 0 BCADMP Cc1[nH+]ccn1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052576118 632444135 /nfs/dbraw/zinc/44/41/35/632444135.db2.gz ZICQUKQRKPVYOV-UHFFFAOYSA-N 2 1 248.334 0.981 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168566077 632476103 /nfs/dbraw/zinc/47/61/03/632476103.db2.gz ZYFJCQAREHTESE-OUAUKWLOSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309587961 632550686 /nfs/dbraw/zinc/55/06/86/632550686.db2.gz WZSDZJHFNGIDJS-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309587961 632550689 /nfs/dbraw/zinc/55/06/89/632550689.db2.gz WZSDZJHFNGIDJS-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287365 632715800 /nfs/dbraw/zinc/71/58/00/632715800.db2.gz YCXUBYRMPXAIMJ-NEPJUHHUSA-N 2 1 239.363 0.572 20 0 BCADMP OCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310321530 632724830 /nfs/dbraw/zinc/72/48/30/632724830.db2.gz UYCVYZUIKLBKCR-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310321530 632724831 /nfs/dbraw/zinc/72/48/31/632724831.db2.gz UYCVYZUIKLBKCR-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310442928 632741812 /nfs/dbraw/zinc/74/18/12/632741812.db2.gz SVIHZMGDEVTHKM-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310442928 632741817 /nfs/dbraw/zinc/74/18/17/632741817.db2.gz SVIHZMGDEVTHKM-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CCOC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310442928 632741821 /nfs/dbraw/zinc/74/18/21/632741821.db2.gz SVIHZMGDEVTHKM-YNEHKIRRSA-N 2 1 242.363 0.267 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310460382 632744662 /nfs/dbraw/zinc/74/46/62/632744662.db2.gz FCDHHMHGPFMYQV-NWDGAFQWSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310460382 632744669 /nfs/dbraw/zinc/74/46/69/632744669.db2.gz FCDHHMHGPFMYQV-NWDGAFQWSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000310460382 632744678 /nfs/dbraw/zinc/74/46/78/632744678.db2.gz FCDHHMHGPFMYQV-NWDGAFQWSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000310460382 632744683 /nfs/dbraw/zinc/74/46/83/632744683.db2.gz FCDHHMHGPFMYQV-NWDGAFQWSA-N 2 1 244.379 0.533 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523119 632758091 /nfs/dbraw/zinc/75/80/91/632758091.db2.gz MKBMVUHXDGADAK-QWHCGFSZSA-N 3 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000310523119 632758093 /nfs/dbraw/zinc/75/80/93/632758093.db2.gz MKBMVUHXDGADAK-QWHCGFSZSA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000310523119 632758097 /nfs/dbraw/zinc/75/80/97/632758097.db2.gz MKBMVUHXDGADAK-QWHCGFSZSA-N 2 1 241.379 0.114 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052041384 632780394 /nfs/dbraw/zinc/78/03/94/632780394.db2.gz MJQXORKNMDDIIQ-SNVBAGLBSA-N 2 1 210.325 0.747 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000309206877 632813630 /nfs/dbraw/zinc/81/36/30/632813630.db2.gz COLKMAJHNNVKRW-VIFPVBQESA-N 2 1 223.324 0.374 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCn2cccn2)C1 ZINC000235707424 632818251 /nfs/dbraw/zinc/81/82/51/632818251.db2.gz FGJYSSCGJPKVRN-LLVKDONJSA-N 2 1 208.309 0.554 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573966 635867012 /nfs/dbraw/zinc/86/70/12/635867012.db2.gz VACBYKNEZMBHQX-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573966 635867015 /nfs/dbraw/zinc/86/70/15/635867015.db2.gz VACBYKNEZMBHQX-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573966 635867018 /nfs/dbraw/zinc/86/70/18/635867018.db2.gz VACBYKNEZMBHQX-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573966 635867021 /nfs/dbraw/zinc/86/70/21/635867021.db2.gz VACBYKNEZMBHQX-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP C[C@@H]1[C@H](C)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309393769 633009421 /nfs/dbraw/zinc/00/94/21/633009421.db2.gz GGNQKVJOUJRLSU-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309393769 633009422 /nfs/dbraw/zinc/00/94/22/633009422.db2.gz GGNQKVJOUJRLSU-QCNOEVLYSA-N 2 1 211.353 0.796 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167529644 633131433 /nfs/dbraw/zinc/13/14/33/633131433.db2.gz LSOVBMQQVFRIGH-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291520 633186190 /nfs/dbraw/zinc/18/61/90/633186190.db2.gz BVRNVUKXYYMBLF-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122297640 633198941 /nfs/dbraw/zinc/19/89/41/633198941.db2.gz AANNFPAGAOUKDM-NWDGAFQWSA-N 2 1 241.379 0.675 20 0 BCADMP CCOCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000122300237 633199512 /nfs/dbraw/zinc/19/95/12/633199512.db2.gz VSEZSUJPWUXISU-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000928551841 636084620 /nfs/dbraw/zinc/08/46/20/636084620.db2.gz FGYWDFCPNRRKQS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000928551841 636084624 /nfs/dbraw/zinc/08/46/24/636084624.db2.gz FGYWDFCPNRRKQS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000928551841 636084629 /nfs/dbraw/zinc/08/46/29/636084629.db2.gz FGYWDFCPNRRKQS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CCOC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328411937 633763916 /nfs/dbraw/zinc/76/39/16/633763916.db2.gz GTXMNICKSRJUPJ-ASHHDVGLSA-N 2 1 224.348 0.997 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328456440 633764933 /nfs/dbraw/zinc/76/49/33/633764933.db2.gz RNWSOMXWKKHEDC-ZXZMWMBJSA-N 2 1 210.321 0.343 20 0 BCADMP C[NH+](C)CCCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328468591 633768991 /nfs/dbraw/zinc/76/89/91/633768991.db2.gz YMBMEPOQIZCRPQ-QSLWVIQJSA-N 2 1 237.391 0.914 20 0 BCADMP FC(F)COCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328511262 633775043 /nfs/dbraw/zinc/77/50/43/633775043.db2.gz BLBXFWKBYPNSAR-VXIZUSDNSA-N 2 1 246.301 0.854 20 0 BCADMP CO[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309291107 633881921 /nfs/dbraw/zinc/88/19/21/633881921.db2.gz VTVMGQVBHWOWBJ-NEPJUHHUSA-N 2 1 232.368 0.654 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925508354 633843567 /nfs/dbraw/zinc/84/35/67/633843567.db2.gz FVFNOLUCFZUQFM-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP CO[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291107 633881825 /nfs/dbraw/zinc/88/18/25/633881825.db2.gz VTVMGQVBHWOWBJ-NEPJUHHUSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291107 633881842 /nfs/dbraw/zinc/88/18/42/633881842.db2.gz VTVMGQVBHWOWBJ-NEPJUHHUSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309291107 633881869 /nfs/dbraw/zinc/88/18/69/633881869.db2.gz VTVMGQVBHWOWBJ-NEPJUHHUSA-N 2 1 232.368 0.654 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309440197 633918597 /nfs/dbraw/zinc/91/85/97/633918597.db2.gz NVYVAYWNZWBPII-MNOVXSKESA-N 2 1 227.352 0.701 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895470416 636147868 /nfs/dbraw/zinc/14/78/68/636147868.db2.gz XMNYGLHBQKHLBX-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000309982547 634058126 /nfs/dbraw/zinc/05/81/26/634058126.db2.gz FIKDTNMRLJLPCI-ZDUSSCGKSA-N 2 1 241.379 0.081 20 0 BCADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309984564 634058865 /nfs/dbraw/zinc/05/88/65/634058865.db2.gz CAJJCKJMKDTWEV-RWMBFGLXSA-N 2 1 242.363 0.146 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000310451079 634147766 /nfs/dbraw/zinc/14/77/66/634147766.db2.gz VRBYWMLYWYXKDH-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP Cc1cnn(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925617967 634173844 /nfs/dbraw/zinc/17/38/44/634173844.db2.gz YKOCLJYVVVWZKL-LLVKDONJSA-N 2 1 222.336 0.922 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000925619569 634175459 /nfs/dbraw/zinc/17/54/59/634175459.db2.gz PEROAYKVLLBKPE-VXGBXAGGSA-N 2 1 242.363 0.504 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000925622156 634182508 /nfs/dbraw/zinc/18/25/08/634182508.db2.gz PDJHRBOAKBVZJF-GARJFASQSA-N 2 1 235.335 0.323 20 0 BCADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCO1 ZINC000925680303 634278922 /nfs/dbraw/zinc/27/89/22/634278922.db2.gz QBODZQSBQAMALO-JSAZDUPASA-N 2 1 222.332 0.751 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000925684830 634294416 /nfs/dbraw/zinc/29/44/16/634294416.db2.gz JFAXAHFRFBXWSM-NHCYSSNCSA-N 2 1 225.336 0.385 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000925685777 634297177 /nfs/dbraw/zinc/29/71/77/634297177.db2.gz NFLHFUPPBUOODJ-UWVGGRQHSA-N 2 1 225.336 0.243 20 0 BCADMP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699330 634366505 /nfs/dbraw/zinc/36/65/05/634366505.db2.gz ODLKXBOCVIUWED-KGLIPLIRSA-N 3 1 237.391 0.964 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925700100 634369358 /nfs/dbraw/zinc/36/93/58/634369358.db2.gz RKNNRBRIWPLZAC-QMMMGPOBSA-N 2 1 219.279 0.455 20 0 BCADMP CC[NH2+]CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258616329 635172630 /nfs/dbraw/zinc/17/26/30/635172630.db2.gz BLDYZNRRPTYKFP-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391714 635217416 /nfs/dbraw/zinc/21/74/16/635217416.db2.gz RUAFOWYGHYJGRD-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391714 635217425 /nfs/dbraw/zinc/21/74/25/635217425.db2.gz RUAFOWYGHYJGRD-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391714 635217433 /nfs/dbraw/zinc/21/74/33/635217433.db2.gz RUAFOWYGHYJGRD-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC ZINC000259057874 635237105 /nfs/dbraw/zinc/23/71/05/635237105.db2.gz SRUODVJZEKCWIY-SNVBAGLBSA-N 2 1 228.336 0.869 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000310171015 635291613 /nfs/dbraw/zinc/29/16/13/635291613.db2.gz PRQIJQPBFCKZPZ-QWHCGFSZSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925791856 635321734 /nfs/dbraw/zinc/32/17/34/635321734.db2.gz SQEDZWAODBGSGV-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925791856 635321742 /nfs/dbraw/zinc/32/17/42/635321742.db2.gz SQEDZWAODBGSGV-MROQNXINSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925791856 635321750 /nfs/dbraw/zinc/32/17/50/635321750.db2.gz SQEDZWAODBGSGV-MROQNXINSA-N 3 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000925791856 635321764 /nfs/dbraw/zinc/32/17/64/635321764.db2.gz SQEDZWAODBGSGV-MROQNXINSA-N 2 1 225.380 0.914 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])CS(C)(=O)=O ZINC000925832910 635474188 /nfs/dbraw/zinc/47/41/88/635474188.db2.gz QSCIKKIJKKBYOM-VHSXEESVSA-N 2 1 248.392 0.527 20 0 BCADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)C1C[NH2+]C1 ZINC000925873005 635591181 /nfs/dbraw/zinc/59/11/81/635591181.db2.gz CZTFKZQTPJXTDR-VIFPVBQESA-N 2 1 234.347 0.995 20 0 BCADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCCC2)CC1 ZINC000237134084 635818040 /nfs/dbraw/zinc/81/80/40/635818040.db2.gz JLGAUBPCJHYKJR-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895470099 636147757 /nfs/dbraw/zinc/14/77/57/636147757.db2.gz SKTPXFMJUOOBFD-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000310542223 636265756 /nfs/dbraw/zinc/26/57/56/636265756.db2.gz RHIWIUAFNCSVKE-NWDGAFQWSA-N 2 1 237.347 0.150 20 0 BCADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000310542223 636265760 /nfs/dbraw/zinc/26/57/60/636265760.db2.gz RHIWIUAFNCSVKE-NWDGAFQWSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@H](CCCO)[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925256638 636530698 /nfs/dbraw/zinc/53/06/98/636530698.db2.gz IABHYXOEBQPTGN-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](CCCO)[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925256638 636530700 /nfs/dbraw/zinc/53/07/00/636530700.db2.gz IABHYXOEBQPTGN-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000925324245 636869496 /nfs/dbraw/zinc/86/94/96/636869496.db2.gz BNZLDTPEBXFYCQ-WDEREUQCSA-N 2 1 242.367 0.282 20 0 BCADMP CCO[C@H](C[NH2+][C@H](CC)COC)C[NH+](C)C ZINC000926959322 636970277 /nfs/dbraw/zinc/97/02/77/636970277.db2.gz AVNCOILEHGZDHX-VXGBXAGGSA-N 2 1 232.368 0.968 20 0 BCADMP CCO[C@@H](C[NH2+][C@@H]1CCCOC1)C[NH+](C)C ZINC000926966998 636978112 /nfs/dbraw/zinc/97/81/12/636978112.db2.gz ZEVZIVSQBUXBLN-NEPJUHHUSA-N 2 1 230.352 0.722 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1C ZINC000157891160 637174090 /nfs/dbraw/zinc/17/40/90/637174090.db2.gz ZZSZCJGJSKXNMZ-GVXVVHGQSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1 ZINC000924779236 637230472 /nfs/dbraw/zinc/23/04/72/637230472.db2.gz YGWNEPVSQPYFGR-ACJTYDJDSA-N 2 1 224.348 0.953 20 0 BCADMP NOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902419625 637303159 /nfs/dbraw/zinc/30/31/59/637303159.db2.gz RZXKMBWWZLTMBI-GHMZBOCLSA-N 2 1 213.325 0.483 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461458 637363238 /nfs/dbraw/zinc/36/32/38/637363238.db2.gz UPIHOPFFDGBAHA-WISYIIOYSA-N 2 1 212.337 0.959 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1COCCO1 ZINC000903463470 637364843 /nfs/dbraw/zinc/36/48/43/637364843.db2.gz BYTUXLXFARXSPP-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463886 637365066 /nfs/dbraw/zinc/36/50/66/637365066.db2.gz QXIONDLDDFJSMZ-QJPTWQEYSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463886 637365068 /nfs/dbraw/zinc/36/50/68/637365068.db2.gz QXIONDLDDFJSMZ-QJPTWQEYSA-N 2 1 210.321 0.707 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000903551320 637370088 /nfs/dbraw/zinc/37/00/88/637370088.db2.gz FHGVDZOGHXMAHV-SDDRHHMPSA-N 2 1 210.321 0.836 20 0 BCADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1N ZINC000903551228 637372186 /nfs/dbraw/zinc/37/21/86/637372186.db2.gz AGWCNHMPZYPDTB-NSHDSACASA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903551228 637372191 /nfs/dbraw/zinc/37/21/91/637372191.db2.gz AGWCNHMPZYPDTB-NSHDSACASA-N 2 1 211.353 0.655 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903577421 637374108 /nfs/dbraw/zinc/37/41/08/637374108.db2.gz KFUGKQUQRSZDMI-ZJUUUORDSA-N 2 1 213.325 0.311 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000903788295 637381085 /nfs/dbraw/zinc/38/10/85/637381085.db2.gz HZMBWVSTBZGENA-GRYCIOLGSA-N 2 1 240.347 0.856 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1C[NH3+] ZINC000903788270 637382293 /nfs/dbraw/zinc/38/22/93/637382293.db2.gz HIKVHDMTZOSVSU-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788056 637382764 /nfs/dbraw/zinc/38/27/64/637382764.db2.gz BDBPJMPMMRHNSQ-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C([C@@H]1CCCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788056 637382766 /nfs/dbraw/zinc/38/27/66/637382766.db2.gz BDBPJMPMMRHNSQ-HZSPNIEDSA-N 2 1 237.391 0.917 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903841371 637385130 /nfs/dbraw/zinc/38/51/30/637385130.db2.gz XBNWBKSPVAEGMG-GHMZBOCLSA-N 2 1 218.316 0.910 20 0 BCADMP C[NH+](C)CC(N)=NOCCC[NH+]1CCCCC1 ZINC000904437090 637403997 /nfs/dbraw/zinc/40/39/97/637403997.db2.gz JMEBQNVKMAISQB-UHFFFAOYSA-N 2 1 242.367 0.922 20 0 BCADMP C[C@@H]1C[C@H](CN[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461395 637406652 /nfs/dbraw/zinc/40/66/52/637406652.db2.gz IXIXJAKCWSOUFG-UTUOFQBUSA-N 2 1 225.380 0.962 20 0 BCADMP CC[N@H+](CCC(=O)NC)C[C@@H]([NH3+])CC(F)F ZINC000904469929 637423470 /nfs/dbraw/zinc/42/34/70/637423470.db2.gz REOXKQSUKZLOGF-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]([NH3+])CC(F)F ZINC000904469929 637423474 /nfs/dbraw/zinc/42/34/74/637423474.db2.gz REOXKQSUKZLOGF-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP C([NH2+][C@@H]1COC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000904476278 637424857 /nfs/dbraw/zinc/42/48/57/637424857.db2.gz PGMJUJISPUVEAT-QYIFAOSHSA-N 2 1 222.332 0.753 20 0 BCADMP C[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904664305 637455413 /nfs/dbraw/zinc/45/54/13/637455413.db2.gz FXPZIGZVBYXNRB-UHFFFAOYSA-N 2 1 248.330 0.925 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000904929359 637531417 /nfs/dbraw/zinc/53/14/17/637531417.db2.gz PIOLRPJZXDPYTQ-LDYMZIIASA-N 2 1 249.305 0.569 20 0 BCADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000905050743 637568207 /nfs/dbraw/zinc/56/82/07/637568207.db2.gz PNIJFNFIBQGJFN-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(CCCC[NH3+])nn1 ZINC000905057519 637591342 /nfs/dbraw/zinc/59/13/42/637591342.db2.gz XMPQCCLTRMLJOR-UHFFFAOYSA-N 2 1 225.340 0.857 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(CCCC[NH3+])nn1 ZINC000905057519 637591351 /nfs/dbraw/zinc/59/13/51/637591351.db2.gz XMPQCCLTRMLJOR-UHFFFAOYSA-N 2 1 225.340 0.857 20 0 BCADMP C[C@H]([NH3+])Cn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905057490 637591718 /nfs/dbraw/zinc/59/17/18/637591718.db2.gz QQYIVHPBGXQKSL-VIFPVBQESA-N 2 1 225.340 0.856 20 0 BCADMP CC(C)[N@H+](C)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000905059523 637591986 /nfs/dbraw/zinc/59/19/86/637591986.db2.gz UNGFUFPBALUGNB-LLVKDONJSA-N 2 1 237.351 0.870 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000905059523 637591991 /nfs/dbraw/zinc/59/19/91/637591991.db2.gz UNGFUFPBALUGNB-LLVKDONJSA-N 2 1 237.351 0.870 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905332514 637781213 /nfs/dbraw/zinc/78/12/13/637781213.db2.gz WRQJDGDRQDXHRS-RQJHMYQMSA-N 2 1 222.292 0.858 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H](O)C1CC1)C1CC1 ZINC000905689488 637883867 /nfs/dbraw/zinc/88/38/67/637883867.db2.gz ARWXIABBWKRXAE-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H](O)C1CC1)C1CC1 ZINC000905689488 637883871 /nfs/dbraw/zinc/88/38/71/637883871.db2.gz ARWXIABBWKRXAE-OLZOCXBDSA-N 2 1 242.363 0.192 20 0 BCADMP NC(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508010 638178552 /nfs/dbraw/zinc/17/85/52/638178552.db2.gz HEVORRPZQBULKX-XYPYZODXSA-N 2 1 219.288 0.365 20 0 BCADMP [NH3+]C1CC([NH2+]Cc2cnc3cnccn23)C1 ZINC000906510736 638184582 /nfs/dbraw/zinc/18/45/82/638184582.db2.gz UBHAVOYSGWKEQV-UHFFFAOYSA-N 2 1 217.276 0.309 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473486 639464489 /nfs/dbraw/zinc/46/44/89/639464489.db2.gz GEWJVJUEFJHEKT-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP C[NH2+][C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000150251336 639465725 /nfs/dbraw/zinc/46/57/25/639465725.db2.gz IKDZVJROXIFXNK-SECBINFHSA-N 2 1 221.308 0.341 20 0 BCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[NH3+])CC2 ZINC000911648684 639704318 /nfs/dbraw/zinc/70/43/18/639704318.db2.gz UUFUVBZWWIHYDP-JTQLQIEISA-N 2 1 236.319 0.219 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674993 639714363 /nfs/dbraw/zinc/71/43/63/639714363.db2.gz ZGGXQDVMQGWLSU-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674994 639714709 /nfs/dbraw/zinc/71/47/09/639714709.db2.gz ZGGXQDVMQGWLSU-VXGBXAGGSA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000911687162 639726416 /nfs/dbraw/zinc/72/64/16/639726416.db2.gz DFCFZMUDVPDAHM-SNVBAGLBSA-N 2 1 238.335 0.704 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725453 639752459 /nfs/dbraw/zinc/75/24/59/639752459.db2.gz UUOSCGQNCXCSDI-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739257 639765355 /nfs/dbraw/zinc/76/53/55/639765355.db2.gz SBYCVWYCBWDWSL-NWDGAFQWSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911748378 639773855 /nfs/dbraw/zinc/77/38/55/639773855.db2.gz LXXAKFHNBQXIPV-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750978 639776795 /nfs/dbraw/zinc/77/67/95/639776795.db2.gz HJUDXEBLCVRYIG-NEPJUHHUSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833324 639845152 /nfs/dbraw/zinc/84/51/52/639845152.db2.gz KRVJWZFYDZWKED-NWDGAFQWSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1[C@H]([NH+](C)C)CCN1CCc1c[nH+]cn1C ZINC000931036141 640031348 /nfs/dbraw/zinc/03/13/48/640031348.db2.gz CEUHXCNMUGVTBF-WCQYABFASA-N 2 1 236.363 0.987 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(O)CCOCC3)C[C@H]21 ZINC000931276399 640127070 /nfs/dbraw/zinc/12/70/70/640127070.db2.gz HLSAAPDCGCTBMV-GDNZZTSVSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(O)CCOCC3)C[C@H]21 ZINC000931276399 640127074 /nfs/dbraw/zinc/12/70/74/640127074.db2.gz HLSAAPDCGCTBMV-GDNZZTSVSA-N 2 1 240.347 0.020 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCNC3=O)C[C@H]21 ZINC000931277814 640129126 /nfs/dbraw/zinc/12/91/26/640129126.db2.gz QIBSODIGQCVVSY-WYUUTHIRSA-N 2 1 237.347 0.004 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCNC3=O)C[C@H]21 ZINC000931277814 640129129 /nfs/dbraw/zinc/12/91/29/640129129.db2.gz QIBSODIGQCVVSY-WYUUTHIRSA-N 2 1 237.347 0.004 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(C)COC3)C[C@H]21 ZINC000931281322 640134992 /nfs/dbraw/zinc/13/49/92/640134992.db2.gz QLIHFJHVJKOHTG-URLYPYJESA-N 2 1 210.321 0.515 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]21 ZINC000931281322 640134995 /nfs/dbraw/zinc/13/49/95/640134995.db2.gz QLIHFJHVJKOHTG-URLYPYJESA-N 2 1 210.321 0.515 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931439236 640205026 /nfs/dbraw/zinc/20/50/26/640205026.db2.gz NLKKDFAMJWMVDR-KGLIPLIRSA-N 2 1 248.374 0.846 20 0 BCADMP CCNC(=O)CC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931511718 640242160 /nfs/dbraw/zinc/24/21/60/640242160.db2.gz PLIHZJGZNLUXJO-UHFFFAOYSA-N 2 1 248.330 0.548 20 0 BCADMP CCNC(=O)CC[N@H+]1CCc2nccc(N)c2C1 ZINC000931511718 640242164 /nfs/dbraw/zinc/24/21/64/640242164.db2.gz PLIHZJGZNLUXJO-UHFFFAOYSA-N 2 1 248.330 0.548 20 0 BCADMP CC(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721428 640337836 /nfs/dbraw/zinc/33/78/36/640337836.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 1 239.363 0.681 20 0 BCADMP CC(=O)NCCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721428 640337842 /nfs/dbraw/zinc/33/78/42/640337842.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 1 239.363 0.681 20 0 BCADMP CC(=O)NCCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721428 640337846 /nfs/dbraw/zinc/33/78/46/640337846.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC000151273471 640355029 /nfs/dbraw/zinc/35/50/29/640355029.db2.gz RLSJIYDOPMZFHB-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156350085 640439778 /nfs/dbraw/zinc/43/97/78/640439778.db2.gz NBQQTYNYGSKULV-DCAQKATOSA-N 2 1 216.325 0.066 20 0 BCADMP CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044649398 640446012 /nfs/dbraw/zinc/44/60/12/640446012.db2.gz NKTCGZZIQYTECC-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044987639 640478956 /nfs/dbraw/zinc/47/89/56/640478956.db2.gz UUQXQBGMQDQPKO-FGWVZKOKSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224397 640603802 /nfs/dbraw/zinc/60/38/02/640603802.db2.gz ALGMDWKXQVQTEX-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224397 640603806 /nfs/dbraw/zinc/60/38/06/640603806.db2.gz ALGMDWKXQVQTEX-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224188 640605937 /nfs/dbraw/zinc/60/59/37/640605937.db2.gz OYFRMGHLRIUDKY-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224188 640605942 /nfs/dbraw/zinc/60/59/42/640605942.db2.gz OYFRMGHLRIUDKY-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225424876 640691915 /nfs/dbraw/zinc/69/19/15/640691915.db2.gz YVOLYDFRMZNMAA-XHNCKOQMSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225424876 640691920 /nfs/dbraw/zinc/69/19/20/640691920.db2.gz YVOLYDFRMZNMAA-XHNCKOQMSA-N 2 1 240.269 0.969 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225865731 640712876 /nfs/dbraw/zinc/71/28/76/640712876.db2.gz CISVCRYDICWQSD-WDEREUQCSA-N 2 1 216.325 0.055 20 0 BCADMP CCCS(=O)(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000226417355 640764537 /nfs/dbraw/zinc/76/45/37/640764537.db2.gz VSTIPXQOMLWDHF-UHFFFAOYSA-N 2 1 248.392 0.482 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030338160 640769914 /nfs/dbraw/zinc/76/99/14/640769914.db2.gz WRMDAHDSMYIMGS-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030338160 640769917 /nfs/dbraw/zinc/76/99/17/640769917.db2.gz WRMDAHDSMYIMGS-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226539943 640773656 /nfs/dbraw/zinc/77/36/56/640773656.db2.gz VYXREODAAHPIOT-ZYHUDNBSSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000227211600 640820648 /nfs/dbraw/zinc/82/06/48/640820648.db2.gz XCRSAKJKRMULPO-BIIVOSGPSA-N 2 1 226.242 0.579 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000227211600 640820649 /nfs/dbraw/zinc/82/06/49/640820649.db2.gz XCRSAKJKRMULPO-BIIVOSGPSA-N 2 1 226.242 0.579 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541018 640838982 /nfs/dbraw/zinc/83/89/82/640838982.db2.gz SAMQWIIKDSHFFU-ZWKOPEQDSA-N 2 1 236.315 0.728 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532290 640878579 /nfs/dbraw/zinc/87/85/79/640878579.db2.gz XTSSTOLYHNXFKC-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257138 640940028 /nfs/dbraw/zinc/94/00/28/640940028.db2.gz OEDGSFOZYDSVSH-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[N@@H+](C)C1CC1 ZINC000230063702 641010786 /nfs/dbraw/zinc/01/07/86/641010786.db2.gz XQIGCUQMWZELHN-JOYOIKCWSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000230063789 641011610 /nfs/dbraw/zinc/01/16/10/641011610.db2.gz WKKSMHLICHUMDT-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CCOC(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121052 641135537 /nfs/dbraw/zinc/13/55/37/641135537.db2.gz PZXKXAZSXXNPPV-UHFFFAOYSA-N 2 1 228.336 0.823 20 0 BCADMP CCOC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121052 641135538 /nfs/dbraw/zinc/13/55/38/641135538.db2.gz PZXKXAZSXXNPPV-UHFFFAOYSA-N 2 1 228.336 0.823 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307945405 641198259 /nfs/dbraw/zinc/19/82/59/641198259.db2.gz YZGZZTLUHWYYPT-DTWKUNHWSA-N 2 1 240.269 0.841 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307945405 641198255 /nfs/dbraw/zinc/19/82/55/641198255.db2.gz YZGZZTLUHWYYPT-DTWKUNHWSA-N 2 1 240.269 0.841 20 0 BCADMP C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC([NH3+])C1 ZINC000307943292 641199074 /nfs/dbraw/zinc/19/90/74/641199074.db2.gz SBSBSXJKMMXFQS-KAVNDROISA-N 2 1 226.242 0.721 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697788 641405895 /nfs/dbraw/zinc/40/58/95/641405895.db2.gz VDFIXAATMBOGRJ-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913629069 641432573 /nfs/dbraw/zinc/43/25/73/641432573.db2.gz RAQLUOWTTWIXDM-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000221887823 641519203 /nfs/dbraw/zinc/51/92/03/641519203.db2.gz MRRBHPPWNYNIEI-SECBINFHSA-N 2 1 212.341 0.991 20 0 BCADMP C[NH2+]CCN(C)CCCc1c[nH+]cn1C ZINC000314840650 641579964 /nfs/dbraw/zinc/57/99/64/641579964.db2.gz GZUXBSASDYFUNV-UHFFFAOYSA-N 2 1 210.325 0.504 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833660 641614149 /nfs/dbraw/zinc/61/41/49/641614149.db2.gz BHBUPWOXQVLCFX-QWRGUYRKSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000157846985 641624811 /nfs/dbraw/zinc/62/48/11/641624811.db2.gz CSBZQVLPBFQWOV-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315613 641638015 /nfs/dbraw/zinc/63/80/15/641638015.db2.gz WDUNGMYMHYRMIR-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000914315613 641638018 /nfs/dbraw/zinc/63/80/18/641638018.db2.gz WDUNGMYMHYRMIR-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914315613 641638019 /nfs/dbraw/zinc/63/80/19/641638019.db2.gz WDUNGMYMHYRMIR-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031264324 641868441 /nfs/dbraw/zinc/86/84/41/641868441.db2.gz NNWHLPQUFFROSC-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717703 642021127 /nfs/dbraw/zinc/02/11/27/642021127.db2.gz AALHSEFIKWTECB-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP O=C(C[NH+]1CCCC1)NC1C[NH+](CC2CC2)C1 ZINC001031389314 642054139 /nfs/dbraw/zinc/05/41/39/642054139.db2.gz KBYSTIDCWHRCSK-UHFFFAOYSA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930001220 642138488 /nfs/dbraw/zinc/13/84/88/642138488.db2.gz SCIZLDVEADZFJO-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930001220 642138491 /nfs/dbraw/zinc/13/84/91/642138491.db2.gz SCIZLDVEADZFJO-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930001220 642138496 /nfs/dbraw/zinc/13/84/96/642138496.db2.gz SCIZLDVEADZFJO-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930000856 642140790 /nfs/dbraw/zinc/14/07/90/642140790.db2.gz SCIZLDVEADZFJO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930000856 642140801 /nfs/dbraw/zinc/14/08/01/642140801.db2.gz SCIZLDVEADZFJO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930000856 642140812 /nfs/dbraw/zinc/14/08/12/642140812.db2.gz SCIZLDVEADZFJO-SDDRHHMPSA-N 2 1 230.352 0.002 20 0 BCADMP CN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000154706950 642188128 /nfs/dbraw/zinc/18/81/28/642188128.db2.gz OSFZNDBURHZDIC-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577894 642330936 /nfs/dbraw/zinc/33/09/36/642330936.db2.gz QYYXCJFFUXVDJK-LBPRGKRZSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585582 642340628 /nfs/dbraw/zinc/34/06/28/642340628.db2.gz ZZRRJEGHCORECZ-LLVKDONJSA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307930554 642347237 /nfs/dbraw/zinc/34/72/37/642347237.db2.gz BHOGBDRTFIGQOA-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307930554 642347238 /nfs/dbraw/zinc/34/72/38/642347238.db2.gz BHOGBDRTFIGQOA-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307933106 642349912 /nfs/dbraw/zinc/34/99/12/642349912.db2.gz DHRBIUUBNSEVMQ-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307933106 642349915 /nfs/dbraw/zinc/34/99/15/642349915.db2.gz DHRBIUUBNSEVMQ-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000924022929 642371620 /nfs/dbraw/zinc/37/16/20/642371620.db2.gz UXLRZHLRTTXTDJ-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000924022929 642371627 /nfs/dbraw/zinc/37/16/27/642371627.db2.gz UXLRZHLRTTXTDJ-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000924022929 642371633 /nfs/dbraw/zinc/37/16/33/642371633.db2.gz UXLRZHLRTTXTDJ-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021906606 642452917 /nfs/dbraw/zinc/45/29/17/642452917.db2.gz RXRQHRWFTQUMRT-GRYCIOLGSA-N 2 1 239.363 0.726 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253629684 642672038 /nfs/dbraw/zinc/67/20/38/642672038.db2.gz IAQOIFURAKDPMF-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253629684 642672043 /nfs/dbraw/zinc/67/20/43/642672043.db2.gz IAQOIFURAKDPMF-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000068890904 642807370 /nfs/dbraw/zinc/80/73/70/642807370.db2.gz JRAGREYLGPEALV-DCAQKATOSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000068890904 642807373 /nfs/dbraw/zinc/80/73/73/642807373.db2.gz JRAGREYLGPEALV-DCAQKATOSA-N 2 1 216.325 0.195 20 0 BCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010384178 642863949 /nfs/dbraw/zinc/86/39/49/642863949.db2.gz KPNNNSZZMBUWAM-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010384178 642863952 /nfs/dbraw/zinc/86/39/52/642863952.db2.gz KPNNNSZZMBUWAM-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010384178 642863957 /nfs/dbraw/zinc/86/39/57/642863957.db2.gz KPNNNSZZMBUWAM-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018616243 643004151 /nfs/dbraw/zinc/00/41/51/643004151.db2.gz LQHCUTXHFITOPB-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP COC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070589080 643044526 /nfs/dbraw/zinc/04/45/26/643044526.db2.gz MFNGLCOSSYTEAE-YATPEIPISA-N 2 1 228.336 0.209 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C1CC1 ZINC000070884015 643077568 /nfs/dbraw/zinc/07/75/68/643077568.db2.gz RTAVCNMCFQINRW-LLVKDONJSA-N 2 1 209.293 0.552 20 0 BCADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1OC ZINC000252789668 643117488 /nfs/dbraw/zinc/11/74/88/643117488.db2.gz RRXWOEXVCFLDCD-QJPTWQEYSA-N 2 1 230.352 0.720 20 0 BCADMP CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186205 643283822 /nfs/dbraw/zinc/28/38/22/643283822.db2.gz KZFDVMXJGLZYHS-LBPRGKRZSA-N 2 1 239.363 0.396 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC000082594460 643351961 /nfs/dbraw/zinc/35/19/61/643351961.db2.gz QQJLLFSGADCFDL-NSHDSACASA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC000082594460 643351966 /nfs/dbraw/zinc/35/19/66/643351966.db2.gz QQJLLFSGADCFDL-NSHDSACASA-N 2 1 225.336 0.468 20 0 BCADMP CC[NH2+]CC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000082645649 643363320 /nfs/dbraw/zinc/36/33/20/643363320.db2.gz YJQXBINVIJOQCL-NSHDSACASA-N 2 1 226.320 0.623 20 0 BCADMP CN(C)c1nc(N2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000082924360 643388979 /nfs/dbraw/zinc/38/89/79/643388979.db2.gz YSLVCRIUFVSCTO-VIFPVBQESA-N 2 1 221.308 0.470 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000082946412 643390133 /nfs/dbraw/zinc/39/01/33/643390133.db2.gz UTSICIVHWSYRDX-LBPRGKRZSA-N 2 1 212.337 0.642 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021044407 643394144 /nfs/dbraw/zinc/39/41/44/643394144.db2.gz MPXPXBBDCWSFCU-IJLUTSLNSA-N 2 1 239.363 0.583 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721142 643449618 /nfs/dbraw/zinc/44/96/18/643449618.db2.gz JWHBAOCGQNSJIU-MNOVXSKESA-N 2 1 216.325 0.197 20 0 BCADMP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315806 643493929 /nfs/dbraw/zinc/49/39/29/643493929.db2.gz WYHGQZBBJZDLLP-SRVKXCTJSA-N 2 1 237.347 0.386 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315806 643493932 /nfs/dbraw/zinc/49/39/32/643493932.db2.gz WYHGQZBBJZDLLP-SRVKXCTJSA-N 2 1 237.347 0.386 20 0 BCADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315806 643493933 /nfs/dbraw/zinc/49/39/33/643493933.db2.gz WYHGQZBBJZDLLP-SRVKXCTJSA-N 2 1 237.347 0.386 20 0 BCADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032315806 643493937 /nfs/dbraw/zinc/49/39/37/643493937.db2.gz WYHGQZBBJZDLLP-SRVKXCTJSA-N 2 1 237.347 0.386 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000970723974 643519583 /nfs/dbraw/zinc/51/95/83/643519583.db2.gz GLKPGLKWGUZONQ-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP C[C@@H](O)C[N@H+](CC[NH3+])C1CCCCC1 ZINC000083677595 643542156 /nfs/dbraw/zinc/54/21/56/643542156.db2.gz IVJZDXLUTJSTIN-SNVBAGLBSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H](O)C[N@@H+](CC[NH3+])C1CCCCC1 ZINC000083677595 643542162 /nfs/dbraw/zinc/54/21/62/643542162.db2.gz IVJZDXLUTJSTIN-SNVBAGLBSA-N 2 1 200.326 0.961 20 0 BCADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970879490 643583946 /nfs/dbraw/zinc/58/39/46/643583946.db2.gz ZCSJNWRVVROHTB-MNOVXSKESA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970879492 643585976 /nfs/dbraw/zinc/58/59/76/643585976.db2.gz ZCSJNWRVVROHTB-WDEREUQCSA-N 2 1 239.363 0.395 20 0 BCADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998730869 643719225 /nfs/dbraw/zinc/71/92/25/643719225.db2.gz LDWIPRFEHBXQQK-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCS(=O)(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870160 643824103 /nfs/dbraw/zinc/82/41/03/643824103.db2.gz ZDOSQPQQPVTVMT-UHFFFAOYSA-N 2 1 248.392 0.623 20 0 BCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC000922160355 643880829 /nfs/dbraw/zinc/88/08/29/643880829.db2.gz WADZCKCGCFLLJB-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC000922160355 643880833 /nfs/dbraw/zinc/88/08/33/643880833.db2.gz WADZCKCGCFLLJB-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CCO[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000922757757 644088378 /nfs/dbraw/zinc/08/83/78/644088378.db2.gz LSVRYJJIQSCPBN-JHJVBQTASA-N 2 1 243.395 0.493 20 0 BCADMP C[NH+]1CCC([NH2+]CC2CC3(C2)OCCO3)CC1 ZINC000922800397 644098260 /nfs/dbraw/zinc/09/82/60/644098260.db2.gz XDJYWLYHPMHWLN-UHFFFAOYSA-N 2 1 240.347 0.823 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000193300575 644232413 /nfs/dbraw/zinc/23/24/13/644232413.db2.gz GOZJGYOLKPFFGU-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279170 644311406 /nfs/dbraw/zinc/31/14/06/644311406.db2.gz GWWNIUQPNKRFBA-MXWKQRLJSA-N 2 1 232.393 0.912 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279170 644311411 /nfs/dbraw/zinc/31/14/11/644311411.db2.gz GWWNIUQPNKRFBA-MXWKQRLJSA-N 2 1 232.393 0.912 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279477 644312109 /nfs/dbraw/zinc/31/21/09/644312109.db2.gz CCMCKCIGQQROPY-CHWSQXEVSA-N 2 1 244.379 0.833 20 0 BCADMP CSC[C@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281561 644316023 /nfs/dbraw/zinc/31/60/23/644316023.db2.gz MVMAAOJNLPXYJO-GFCCVEGCSA-N 2 1 244.404 0.927 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282573 644317551 /nfs/dbraw/zinc/31/75/51/644317551.db2.gz VWEIZYOGXMNXIE-NEPJUHHUSA-N 2 1 230.352 0.301 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282528 644317827 /nfs/dbraw/zinc/31/78/27/644317827.db2.gz VKBZOBVLSCVCOL-GHMZBOCLSA-N 2 1 216.325 0.055 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282533 644318131 /nfs/dbraw/zinc/31/81/31/644318131.db2.gz VKBZOBVLSCVCOL-WDEREUQCSA-N 2 1 216.325 0.055 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282768 644318579 /nfs/dbraw/zinc/31/85/79/644318579.db2.gz XQMTUKVHIACEIF-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@H](O)CSC)CC1 ZINC000923288366 644320068 /nfs/dbraw/zinc/32/00/68/644320068.db2.gz VYYRLYCZONTQBP-JTQLQIEISA-N 2 1 218.366 0.394 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000923288367 644321573 /nfs/dbraw/zinc/32/15/73/644321573.db2.gz VYYRLYCZONTQBP-SNVBAGLBSA-N 2 1 218.366 0.394 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289035 644322340 /nfs/dbraw/zinc/32/23/40/644322340.db2.gz CXVULIMBFJAEJP-UTUOFQBUSA-N 3 1 239.363 0.034 20 0 BCADMP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289035 644322348 /nfs/dbraw/zinc/32/23/48/644322348.db2.gz CXVULIMBFJAEJP-UTUOFQBUSA-N 2 1 239.363 0.034 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923289731 644324547 /nfs/dbraw/zinc/32/45/47/644324547.db2.gz LBCGEZZHODASPB-NWDGAFQWSA-N 2 1 230.352 0.709 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923300097 644326813 /nfs/dbraw/zinc/32/68/13/644326813.db2.gz NUAMXVJDVUWBEY-OSUNSFLBSA-N 2 1 212.337 0.815 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923291776 644328812 /nfs/dbraw/zinc/32/88/12/644328812.db2.gz UNJVEXFUSWMCFW-XQQFMLRXSA-N 2 1 244.379 0.689 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293153 644329584 /nfs/dbraw/zinc/32/95/84/644329584.db2.gz OIDILROVKDLTEF-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293153 644329585 /nfs/dbraw/zinc/32/95/85/644329585.db2.gz OIDILROVKDLTEF-GHMZBOCLSA-N 2 1 216.325 0.197 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923291920 644330310 /nfs/dbraw/zinc/33/03/10/644330310.db2.gz UKNRWNCXSCQKRN-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CCOCCOCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294930 644332319 /nfs/dbraw/zinc/33/23/19/644332319.db2.gz QNWKUYVZMCWZLY-UHFFFAOYSA-N 2 1 232.368 0.956 20 0 BCADMP CC(C)[C@](C)(CN)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923295919 644333091 /nfs/dbraw/zinc/33/30/91/644333091.db2.gz KHRAEVZGERWZDI-RYUDHWBXSA-N 2 1 241.379 0.328 20 0 BCADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307627 644336745 /nfs/dbraw/zinc/33/67/45/644336745.db2.gz YRALWCZMKQMNME-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302325 644337647 /nfs/dbraw/zinc/33/76/47/644337647.db2.gz VBEYVODIJYUTLX-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923302325 644337652 /nfs/dbraw/zinc/33/76/52/644337652.db2.gz VBEYVODIJYUTLX-MNOVXSKESA-N 2 1 226.320 0.086 20 0 BCADMP CC[N@@H+](C[C@@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307239 644338613 /nfs/dbraw/zinc/33/86/13/644338613.db2.gz QHVVIFKZJCLWEI-BJDJZHNGSA-N 2 1 228.336 0.195 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301176 644338649 /nfs/dbraw/zinc/33/86/49/644338649.db2.gz PJNWXOGIWTYFAR-NWDGAFQWSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312373 644339977 /nfs/dbraw/zinc/33/99/77/644339977.db2.gz HNTRFGVFTRKGMI-QWRGUYRKSA-N 2 1 210.321 0.849 20 0 BCADMP CC1(C)[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]21 ZINC000923313999 644340967 /nfs/dbraw/zinc/34/09/67/644340967.db2.gz OYJWZKDUVHFXDS-HHKYUTTNSA-N 2 1 210.321 0.425 20 0 BCADMP CC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923305425 644341696 /nfs/dbraw/zinc/34/16/96/644341696.db2.gz IEOOIZGKTVIJKC-BJDJZHNGSA-N 2 1 212.337 0.959 20 0 BCADMP CCOC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315032 644344096 /nfs/dbraw/zinc/34/40/96/644344096.db2.gz CLMLWNPUNFPSTO-VOAKCMCISA-N 2 1 242.363 0.586 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315734 644344346 /nfs/dbraw/zinc/34/43/46/644344346.db2.gz ZBSNNMLXIQOOCR-NEPJUHHUSA-N 2 1 240.347 0.333 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000923311056 644346059 /nfs/dbraw/zinc/34/60/59/644346059.db2.gz GDERFQOKEFEXQD-WDEREUQCSA-N 2 1 226.320 0.086 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309719 644346100 /nfs/dbraw/zinc/34/61/00/644346100.db2.gz ZIFLLCVQGCGBHJ-QWRGUYRKSA-N 2 1 210.321 0.707 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328857 644347789 /nfs/dbraw/zinc/34/77/89/644347789.db2.gz XJGHHTIGBMQTGK-GFCCVEGCSA-N 2 1 242.363 0.459 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923330858 644350650 /nfs/dbraw/zinc/35/06/50/644350650.db2.gz CPHVHGZRGYECBS-RWMBFGLXSA-N 2 1 242.363 0.709 20 0 BCADMP CCOCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923330860 644350725 /nfs/dbraw/zinc/35/07/25/644350725.db2.gz CPHVHGZRGYECBS-XQQFMLRXSA-N 2 1 242.363 0.709 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344318 644364725 /nfs/dbraw/zinc/36/47/25/644364725.db2.gz GHMBKYPGYNUVCM-MXWKQRLJSA-N 2 1 232.393 0.770 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331683 644360441 /nfs/dbraw/zinc/36/04/41/644360441.db2.gz MSJMQMUFIRFRBC-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000923343466 644363225 /nfs/dbraw/zinc/36/32/25/644363225.db2.gz BXYXYMQGJFHTTF-GARJFASQSA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344316 644364494 /nfs/dbraw/zinc/36/44/94/644364494.db2.gz GHMBKYPGYNUVCM-GMTAPVOTSA-N 2 1 232.393 0.770 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357531 644364619 /nfs/dbraw/zinc/36/46/19/644364619.db2.gz XTAWLOZGFCJMBK-RYUDHWBXSA-N 3 1 239.363 0.036 20 0 BCADMP C[C@@]1(C[NH3+])CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357531 644364622 /nfs/dbraw/zinc/36/46/22/644364622.db2.gz XTAWLOZGFCJMBK-RYUDHWBXSA-N 2 1 239.363 0.036 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923345869 644365907 /nfs/dbraw/zinc/36/59/07/644365907.db2.gz QVMBVYORMHYUJS-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923354256 644370640 /nfs/dbraw/zinc/37/06/40/644370640.db2.gz BAQUTOMSDNEPBH-STQMWFEESA-N 2 1 244.379 0.691 20 0 BCADMP CCOCCOCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356382 644372177 /nfs/dbraw/zinc/37/21/77/644372177.db2.gz HVSCDIQMFKJPEX-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP CCOCCOCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356382 644372180 /nfs/dbraw/zinc/37/21/80/644372180.db2.gz HVSCDIQMFKJPEX-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355189 644373390 /nfs/dbraw/zinc/37/33/90/644373390.db2.gz HIMZHQYEFZQPEP-OLZOCXBDSA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364226 644374569 /nfs/dbraw/zinc/37/45/69/644374569.db2.gz JXKLQNKVLCLTFP-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364221 644374805 /nfs/dbraw/zinc/37/48/05/644374805.db2.gz JXKLQNKVLCLTFP-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363734 644374830 /nfs/dbraw/zinc/37/48/30/644374830.db2.gz DRUPOWOEFBIWQD-TUAOUCFPSA-N 2 1 212.337 0.831 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364219 644374951 /nfs/dbraw/zinc/37/49/51/644374951.db2.gz JXKLQNKVLCLTFP-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364224 644376572 /nfs/dbraw/zinc/37/65/72/644376572.db2.gz JXKLQNKVLCLTFP-UPJWGTAASA-N 2 1 242.363 0.458 20 0 BCADMP CSC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923360135 644384580 /nfs/dbraw/zinc/38/45/80/644384580.db2.gz WKPUHMWCAHZRSD-VHSXEESVSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923360135 644384585 /nfs/dbraw/zinc/38/45/85/644384585.db2.gz WKPUHMWCAHZRSD-VHSXEESVSA-N 2 1 218.366 0.379 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923366957 644377783 /nfs/dbraw/zinc/37/77/83/644377783.db2.gz BNKXIHIDXDGJAL-QWRGUYRKSA-N 2 1 232.368 0.735 20 0 BCADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000923366404 644377800 /nfs/dbraw/zinc/37/78/00/644377800.db2.gz MFXVGRIMTNHEHI-RYUDHWBXSA-N 2 1 242.294 0.111 20 0 BCADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000923366404 644377803 /nfs/dbraw/zinc/37/78/03/644377803.db2.gz MFXVGRIMTNHEHI-RYUDHWBXSA-N 2 1 242.294 0.111 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923366866 644377856 /nfs/dbraw/zinc/37/78/56/644377856.db2.gz ABYJWQWQIIFKEY-GHMZBOCLSA-N 2 1 240.351 0.207 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)Cn1cccn1 ZINC000923366872 644378058 /nfs/dbraw/zinc/37/80/58/644378058.db2.gz ABYJWQWQIIFKEY-WDEREUQCSA-N 2 1 240.351 0.207 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366747 644378405 /nfs/dbraw/zinc/37/84/05/644378405.db2.gz QBWQIZHWVTZSMV-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366277 644379029 /nfs/dbraw/zinc/37/90/29/644379029.db2.gz JGKUUKKFLZTMAK-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP C[N@@H+](CCc1nccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923372616 644380041 /nfs/dbraw/zinc/38/00/41/644380041.db2.gz IDKDSXUBYGWCNY-GUBZILKMSA-N 2 1 241.360 0.468 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000923368237 644380797 /nfs/dbraw/zinc/38/07/97/644380797.db2.gz OJPXCKFOICBMPK-WDEREUQCSA-N 2 1 230.352 0.755 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923361645 644386962 /nfs/dbraw/zinc/38/69/62/644386962.db2.gz JTHJQJSNSHPGBG-HTAVTVPLSA-N 2 1 230.352 0.441 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923374816 644388065 /nfs/dbraw/zinc/38/80/65/644388065.db2.gz CSVRVCCZLCOCCM-HBNTYKKESA-N 2 1 232.393 0.627 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923373458 644389089 /nfs/dbraw/zinc/38/90/89/644389089.db2.gz NBBSDJCEPSTZPF-VPOLOUISSA-N 2 1 200.326 0.733 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923374814 644390095 /nfs/dbraw/zinc/39/00/95/644390095.db2.gz CSVRVCCZLCOCCM-GARJFASQSA-N 2 1 232.393 0.627 20 0 BCADMP CCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923375653 644390132 /nfs/dbraw/zinc/39/01/32/644390132.db2.gz OKSHGIBMPNIYMZ-NSHDSACASA-N 2 1 223.324 0.784 20 0 BCADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)O[C@@H]1CCOC1 ZINC000923380272 644393965 /nfs/dbraw/zinc/39/39/65/644393965.db2.gz FCUZLTXGHZQUSF-GFCCVEGCSA-N 2 1 240.347 0.620 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923381492 644394434 /nfs/dbraw/zinc/39/44/34/644394434.db2.gz DOXPAEPRWMTMOQ-RHYQMDGZSA-N 2 1 230.352 0.299 20 0 BCADMP COC[C@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383821 644395794 /nfs/dbraw/zinc/39/57/94/644395794.db2.gz MSVKTRAKMHIRHM-VXGBXAGGSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383784 644396557 /nfs/dbraw/zinc/39/65/57/644396557.db2.gz MSVKTRAKMHIRHM-NWDGAFQWSA-N 2 1 242.363 0.458 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383783 644396842 /nfs/dbraw/zinc/39/68/42/644396842.db2.gz MSVKTRAKMHIRHM-NEPJUHHUSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383713 644397319 /nfs/dbraw/zinc/39/73/19/644397319.db2.gz LXEHUCBZHDWIRT-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923386929 644397801 /nfs/dbraw/zinc/39/78/01/644397801.db2.gz LGERXDQVGLSZSK-SDDRHHMPSA-N 2 1 230.352 0.443 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H](O)CSC)C[C@H]1C[NH3+] ZINC000923387460 644398426 /nfs/dbraw/zinc/39/84/26/644398426.db2.gz OJFZPLNUQHPXTK-OUAUKWLOSA-N 2 1 248.392 0.006 20 0 BCADMP CCOCC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386599 644399375 /nfs/dbraw/zinc/39/93/75/644399375.db2.gz PHQNPUFNHVPDKF-JTQLQIEISA-N 2 1 218.341 0.443 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386599 644399381 /nfs/dbraw/zinc/39/93/81/644399381.db2.gz PHQNPUFNHVPDKF-JTQLQIEISA-N 2 1 218.341 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392189 644400565 /nfs/dbraw/zinc/40/05/65/644400565.db2.gz IFOCFWGKTJFWIF-OPRDCNLKSA-N 2 1 218.366 0.522 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388352 644402332 /nfs/dbraw/zinc/40/23/32/644402332.db2.gz INKPXWPUKZBWRI-OUAUKWLOSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388352 644402336 /nfs/dbraw/zinc/40/23/36/644402336.db2.gz INKPXWPUKZBWRI-OUAUKWLOSA-N 2 1 232.393 0.770 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399434 644404831 /nfs/dbraw/zinc/40/48/31/644404831.db2.gz RXGHVZNCLMETBR-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399434 644404833 /nfs/dbraw/zinc/40/48/33/644404833.db2.gz RXGHVZNCLMETBR-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413909 644416307 /nfs/dbraw/zinc/41/63/07/644416307.db2.gz JWJJLOUAQSJYCH-WOPDTQHZSA-N 2 1 228.336 0.068 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414218 644417033 /nfs/dbraw/zinc/41/70/33/644417033.db2.gz KKNDQUIPQOCZGS-TUAOUCFPSA-N 2 1 244.404 0.784 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429186 644421095 /nfs/dbraw/zinc/42/10/95/644421095.db2.gz RFKOUMCPDUTNKY-JHJVBQTASA-N 2 1 244.379 0.691 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426884 644421142 /nfs/dbraw/zinc/42/11/42/644421142.db2.gz HRCNTADNTCHGON-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923428932 644422829 /nfs/dbraw/zinc/42/28/29/644422829.db2.gz SUYOBMIZHFMERH-MNOVXSKESA-N 2 1 228.336 0.258 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000084381678 644423323 /nfs/dbraw/zinc/42/33/23/644423323.db2.gz HMBGABXKCQEGGK-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP FC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421447 644423519 /nfs/dbraw/zinc/42/35/19/644423519.db2.gz BWMYWTKPQUEQGX-GHMZBOCLSA-N 2 1 228.311 0.656 20 0 BCADMP FC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421450 644424527 /nfs/dbraw/zinc/42/45/27/644424527.db2.gz BWMYWTKPQUEQGX-WDEREUQCSA-N 2 1 228.311 0.656 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432714 644426479 /nfs/dbraw/zinc/42/64/79/644426479.db2.gz IPJUJZRAGCWGJO-VXGBXAGGSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432753 644426858 /nfs/dbraw/zinc/42/68/58/644426858.db2.gz JMKBEIGVYJGERS-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454714 644444454 /nfs/dbraw/zinc/44/44/54/644444454.db2.gz NBEAXIDRHYVUJF-WUHRBBMRSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454714 644444456 /nfs/dbraw/zinc/44/44/56/644444456.db2.gz NBEAXIDRHYVUJF-WUHRBBMRSA-N 3 1 223.364 0.798 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495504 644461129 /nfs/dbraw/zinc/46/11/29/644461129.db2.gz WMPUGIJBGCGESQ-MNOVXSKESA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495504 644461133 /nfs/dbraw/zinc/46/11/33/644461133.db2.gz WMPUGIJBGCGESQ-MNOVXSKESA-N 2 1 237.351 0.715 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923489430 644464670 /nfs/dbraw/zinc/46/46/70/644464670.db2.gz JXFSYXWQSJSPKQ-VXGBXAGGSA-N 2 1 236.363 0.879 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923491417 644464915 /nfs/dbraw/zinc/46/49/15/644464915.db2.gz RVLZCNLNBKUDSG-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923491417 644464917 /nfs/dbraw/zinc/46/49/17/644464917.db2.gz RVLZCNLNBKUDSG-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490661 644466104 /nfs/dbraw/zinc/46/61/04/644466104.db2.gz FDGWIUBWIZOIFV-VWYCJHECSA-N 2 1 200.326 0.674 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492248 644467083 /nfs/dbraw/zinc/46/70/83/644467083.db2.gz MLLGRVKQUJLQNW-DCAQKATOSA-N 2 1 241.335 0.065 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491440 644467936 /nfs/dbraw/zinc/46/79/36/644467936.db2.gz RWYPOZOWDSNGIU-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492862 644468124 /nfs/dbraw/zinc/46/81/24/644468124.db2.gz QKYNHINYOJWDOQ-AVGNSLFASA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@H]1C[NH3+] ZINC000923491510 644468651 /nfs/dbraw/zinc/46/86/51/644468651.db2.gz SNVDKYVNHNARGU-GRYCIOLGSA-N 2 1 249.362 0.682 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491896 644468741 /nfs/dbraw/zinc/46/87/41/644468741.db2.gz KHCWSSAIOAEABK-XQHKEYJVSA-N 3 1 225.380 0.759 20 0 BCADMP Cc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923492288 644468864 /nfs/dbraw/zinc/46/88/64/644468864.db2.gz BHMKDQVRQRPMHV-WPRPVWTQSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923492288 644468867 /nfs/dbraw/zinc/46/88/67/644468867.db2.gz BHMKDQVRQRPMHV-WPRPVWTQSA-N 2 1 224.308 0.795 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497079 644469500 /nfs/dbraw/zinc/46/95/00/644469500.db2.gz KTOQZLOPUIPRMQ-WDEREUQCSA-N 2 1 228.336 0.856 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923499729 644473025 /nfs/dbraw/zinc/47/30/25/644473025.db2.gz LSWZLNDVKHNLGU-AAEUAGOBSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1C[NH3+] ZINC000923500797 644473075 /nfs/dbraw/zinc/47/30/75/644473075.db2.gz PEPPXHGLDJVVOO-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1C[NH3+] ZINC000923500797 644473079 /nfs/dbraw/zinc/47/30/79/644473079.db2.gz PEPPXHGLDJVVOO-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886215 644473607 /nfs/dbraw/zinc/47/36/07/644473607.db2.gz WQHJFOOVSQJNNV-MXWKQRLJSA-N 2 1 216.325 0.053 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515273 644479612 /nfs/dbraw/zinc/47/96/12/644479612.db2.gz OMVYIVCOWAYJCX-UPJWGTAASA-N 2 1 244.379 0.547 20 0 BCADMP OC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCOCC1 ZINC000923516234 644480507 /nfs/dbraw/zinc/48/05/07/644480507.db2.gz WGAYVVUXNBBIJP-NWDGAFQWSA-N 2 1 240.347 0.069 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518933 644482202 /nfs/dbraw/zinc/48/22/02/644482202.db2.gz GTQJQHPVDJQVOH-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP OC[C@@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923530440 644487702 /nfs/dbraw/zinc/48/77/02/644487702.db2.gz IVIFYWTWXYETQZ-ZDUSSCGKSA-N 2 1 241.379 0.129 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2CCCCCC[NH3+] ZINC000923532065 644489163 /nfs/dbraw/zinc/48/91/63/644489163.db2.gz YRRGNJBTTZQWHG-UHFFFAOYSA-N 2 1 239.363 0.988 20 0 BCADMP COC[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923556443 644500298 /nfs/dbraw/zinc/50/02/98/644500298.db2.gz GZRVRVHDIUKIBS-NWDGAFQWSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164319 644512031 /nfs/dbraw/zinc/51/20/31/644512031.db2.gz CVTQCCMQAYXZGI-WAAKLRNESA-N 2 1 239.363 0.855 20 0 BCADMP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089747483 644564080 /nfs/dbraw/zinc/56/40/80/644564080.db2.gz ZBYAEIIPXFZMDY-WDEREUQCSA-N 2 1 237.347 0.339 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250622495 644770680 /nfs/dbraw/zinc/77/06/80/644770680.db2.gz ABQALDPPKGBVKO-GMXVVIOVSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000250622495 644770685 /nfs/dbraw/zinc/77/06/85/644770685.db2.gz ABQALDPPKGBVKO-GMXVVIOVSA-N 2 1 223.364 0.940 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251909545 644830102 /nfs/dbraw/zinc/83/01/02/644830102.db2.gz XPFMTWQDJAVALZ-DCAQKATOSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922696 644830827 /nfs/dbraw/zinc/83/08/27/644830827.db2.gz YBXYSARATSPUSO-RYUDHWBXSA-N 2 1 239.363 0.526 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251909549 644830878 /nfs/dbraw/zinc/83/08/78/644830878.db2.gz XPFMTWQDJAVALZ-OUAUKWLOSA-N 2 1 200.326 0.817 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414952 644905524 /nfs/dbraw/zinc/90/55/24/644905524.db2.gz YTWDGVGTCLHRAG-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253133215 644938622 /nfs/dbraw/zinc/93/86/22/644938622.db2.gz XXPJDWWFRNJXHF-FRRDWIJNSA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253133215 644938625 /nfs/dbraw/zinc/93/86/25/644938625.db2.gz XXPJDWWFRNJXHF-FRRDWIJNSA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000253192267 644943174 /nfs/dbraw/zinc/94/31/74/644943174.db2.gz MXJZNYBGAAPUQI-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000253192267 644943177 /nfs/dbraw/zinc/94/31/77/644943177.db2.gz MXJZNYBGAAPUQI-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253203207 644943842 /nfs/dbraw/zinc/94/38/42/644943842.db2.gz ZGXHTAFNRKJBLS-IJLUTSLNSA-N 2 1 230.352 0.301 20 0 BCADMP C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000253188650 644944234 /nfs/dbraw/zinc/94/42/34/644944234.db2.gz JXGBKYYYKAHPQG-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000844187007 645315548 /nfs/dbraw/zinc/31/55/48/645315548.db2.gz BEZPWUWLZMVXOA-DGCLKSJQSA-N 2 1 239.363 0.444 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000844187053 645317396 /nfs/dbraw/zinc/31/73/96/645317396.db2.gz CAMXFFRVCRKDKR-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\CO ZINC000926688369 645357434 /nfs/dbraw/zinc/35/74/34/645357434.db2.gz HQJVHSYPOGGZPT-DEGWXDDOSA-N 2 1 210.321 0.465 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000926756280 645405574 /nfs/dbraw/zinc/40/55/74/645405574.db2.gz UOCHEZCRGXLUHI-UMRKGXGASA-N 2 1 237.347 0.180 20 0 BCADMP CCO[C@H](C[NH2+][C@H](C)CCO)C[NH+](C)C ZINC000926959966 645501160 /nfs/dbraw/zinc/50/11/60/645501160.db2.gz LJSVQOAZAAHWDN-GHMZBOCLSA-N 2 1 218.341 0.314 20 0 BCADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436447 645757807 /nfs/dbraw/zinc/75/78/07/645757807.db2.gz GCJIPUCYEWADAZ-WOPDTQHZSA-N 2 1 241.379 0.781 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928448035 645774530 /nfs/dbraw/zinc/77/45/30/645774530.db2.gz MPPCBGIDHMGUFN-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928448035 645774539 /nfs/dbraw/zinc/77/45/39/645774539.db2.gz MPPCBGIDHMGUFN-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928448035 645774544 /nfs/dbraw/zinc/77/45/44/645774544.db2.gz MPPCBGIDHMGUFN-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928562357 645824078 /nfs/dbraw/zinc/82/40/78/645824078.db2.gz DEPYCFAGBWYHFC-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928562357 645824081 /nfs/dbraw/zinc/82/40/81/645824081.db2.gz DEPYCFAGBWYHFC-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928562357 645824083 /nfs/dbraw/zinc/82/40/83/645824083.db2.gz DEPYCFAGBWYHFC-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928562357 645824089 /nfs/dbraw/zinc/82/40/89/645824089.db2.gz DEPYCFAGBWYHFC-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000221886654 645894383 /nfs/dbraw/zinc/89/43/83/645894383.db2.gz NIDWULUPFMTHQK-VIFPVBQESA-N 2 1 200.330 0.851 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000924653218 646087063 /nfs/dbraw/zinc/08/70/63/646087063.db2.gz HTXKVYOOYYFCHC-NWDGAFQWSA-N 2 1 230.352 0.579 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924757851 646102243 /nfs/dbraw/zinc/10/22/43/646102243.db2.gz WIGQRLYJLHHOGJ-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638315 646216914 /nfs/dbraw/zinc/21/69/14/646216914.db2.gz WSDUENPIENJZPO-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638315 646216920 /nfs/dbraw/zinc/21/69/20/646216920.db2.gz WSDUENPIENJZPO-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479557 646291241 /nfs/dbraw/zinc/29/12/41/646291241.db2.gz BVMVZOYSKJWUAC-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H](CCNC(=O)NC[C@H]1CC[N@H+]1C)[NH+](C)C ZINC000925436033 646281276 /nfs/dbraw/zinc/28/12/76/646281276.db2.gz VVMIAJTZSQMZQF-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)CO)C1 ZINC000929762599 646293695 /nfs/dbraw/zinc/29/36/95/646293695.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929762599 646293700 /nfs/dbraw/zinc/29/37/00/646293700.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CO)C1 ZINC000929762599 646293703 /nfs/dbraw/zinc/29/37/03/646293703.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929762599 646293707 /nfs/dbraw/zinc/29/37/07/646293707.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929762599 646293711 /nfs/dbraw/zinc/29/37/11/646293711.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 1 242.363 0.003 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925505580 646306333 /nfs/dbraw/zinc/30/63/33/646306333.db2.gz UUFVLRJCMICWKF-WDEREUQCSA-N 2 1 239.363 0.762 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929781590 646310184 /nfs/dbraw/zinc/31/01/84/646310184.db2.gz YUDIYJPWUNDRLS-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929781590 646310188 /nfs/dbraw/zinc/31/01/88/646310188.db2.gz YUDIYJPWUNDRLS-ZYHUDNBSSA-N 2 1 230.352 0.144 20 0 BCADMP CCc1nncn1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925515976 646310974 /nfs/dbraw/zinc/31/09/74/646310974.db2.gz QUFPPCNMLCJFOS-MNOVXSKESA-N 2 1 237.351 0.571 20 0 BCADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CCOCC1 ZINC000925527358 646316744 /nfs/dbraw/zinc/31/67/44/646316744.db2.gz TXEXHQFEWZQBTO-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925530172 646319528 /nfs/dbraw/zinc/31/95/28/646319528.db2.gz OUMQKYZBVHRNFP-JTQLQIEISA-N 2 1 210.321 0.633 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925541132 646322590 /nfs/dbraw/zinc/32/25/90/646322590.db2.gz AOASGJMENMOXHW-GFCCVEGCSA-N 2 1 243.395 0.685 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2COCCO2)C1 ZINC000929791331 646323123 /nfs/dbraw/zinc/32/31/23/646323123.db2.gz SBOSQSIVOUQIBH-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2COCCO2)C1 ZINC000929791331 646323127 /nfs/dbraw/zinc/32/31/27/646323127.db2.gz SBOSQSIVOUQIBH-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000929791331 646323132 /nfs/dbraw/zinc/32/31/32/646323132.db2.gz SBOSQSIVOUQIBH-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2COCCO2)C1 ZINC000929791331 646323137 /nfs/dbraw/zinc/32/31/37/646323137.db2.gz SBOSQSIVOUQIBH-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925543985 646324798 /nfs/dbraw/zinc/32/47/98/646324798.db2.gz PAIBTRIJKIWXJI-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000925550557 646330009 /nfs/dbraw/zinc/33/00/09/646330009.db2.gz BNQPHIKWFMCYBY-RWMBFGLXSA-N 2 1 242.363 0.912 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925560851 646335630 /nfs/dbraw/zinc/33/56/30/646335630.db2.gz NXSUPAHNJMSAAV-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925573532 646342406 /nfs/dbraw/zinc/34/24/06/646342406.db2.gz OFUMFSMMQPAOJS-ZJUUUORDSA-N 2 1 225.336 0.515 20 0 BCADMP CCn1cnnc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925575535 646342481 /nfs/dbraw/zinc/34/24/81/646342481.db2.gz VUUSGULZUCUINN-GHMZBOCLSA-N 2 1 237.351 0.571 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925573525 646342546 /nfs/dbraw/zinc/34/25/46/646342546.db2.gz OFUMFSMMQPAOJS-NXEZZACHSA-N 2 1 225.336 0.515 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925607502 646349181 /nfs/dbraw/zinc/34/91/81/646349181.db2.gz CAHYBEOVINGGIT-GHMZBOCLSA-N 2 1 228.336 0.258 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925605214 646357196 /nfs/dbraw/zinc/35/71/96/646357196.db2.gz DCSZVBJEMAAUSL-VIFPVBQESA-N 2 1 227.352 0.489 20 0 BCADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925605232 646357404 /nfs/dbraw/zinc/35/74/04/646357404.db2.gz DJQBUYNWAOYBMA-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](O)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848468 646357533 /nfs/dbraw/zinc/35/75/33/646357533.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848468 646357538 /nfs/dbraw/zinc/35/75/38/646357538.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848468 646357546 /nfs/dbraw/zinc/35/75/46/646357546.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 2 1 242.363 0.144 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925611346 646359500 /nfs/dbraw/zinc/35/95/00/646359500.db2.gz LKFAFHDTJGATRS-AEJSXWLSSA-N 2 1 232.393 0.829 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925609883 646360550 /nfs/dbraw/zinc/36/05/50/646360550.db2.gz BCGNUBKZHMDHEE-MXWKQRLJSA-N 2 1 244.404 0.973 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000925623999 646370697 /nfs/dbraw/zinc/37/06/97/646370697.db2.gz XIIIERAOQUGDPE-UWVGGRQHSA-N 2 1 235.335 0.323 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925626669 646371864 /nfs/dbraw/zinc/37/18/64/646371864.db2.gz SGGDLBDZEXNNPV-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925626670 646372009 /nfs/dbraw/zinc/37/20/09/646372009.db2.gz SGGDLBDZEXNNPV-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(O)CCOC1 ZINC000925625461 646372505 /nfs/dbraw/zinc/37/25/05/646372505.db2.gz FNKCOGVWEVDNNI-ZGVCCVRISA-N 2 1 240.347 0.068 20 0 BCADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925625537 646372765 /nfs/dbraw/zinc/37/27/65/646372765.db2.gz IYHJIFUAIGIEHT-NEPJUHHUSA-N 2 1 240.347 0.402 20 0 BCADMP COC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925627111 646373971 /nfs/dbraw/zinc/37/39/71/646373971.db2.gz UBWRKIAJLPLHOP-MNOVXSKESA-N 2 1 228.336 0.258 20 0 BCADMP C[NH+]1CCC(C)(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925631823 646375590 /nfs/dbraw/zinc/37/55/90/646375590.db2.gz LFUFFJVXMWCJHI-LBPRGKRZSA-N 2 1 241.379 0.296 20 0 BCADMP C/C=C/C[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925640514 646382862 /nfs/dbraw/zinc/38/28/62/646382862.db2.gz IPZMEBGZMVKMDG-MZGJXRNUSA-N 2 1 236.359 0.900 20 0 BCADMP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925645443 646386054 /nfs/dbraw/zinc/38/60/54/646386054.db2.gz QVBSTHYEGZUNNM-VIFPVBQESA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925652601 646391438 /nfs/dbraw/zinc/39/14/38/646391438.db2.gz GIXNEQDXDMAWSX-UWVGGRQHSA-N 2 1 200.326 0.878 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925680672 646408284 /nfs/dbraw/zinc/40/82/84/646408284.db2.gz KJZOCNHEDYMRTJ-UMSGYPCISA-N 2 1 242.363 0.768 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699433 646423108 /nfs/dbraw/zinc/42/31/08/646423108.db2.gz OOVXONFJTAODRQ-SECBINFHSA-N 2 1 233.306 0.845 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925701808 646425700 /nfs/dbraw/zinc/42/57/00/646425700.db2.gz GBKFIERODDDZLK-VHSXEESVSA-N 2 1 237.351 0.811 20 0 BCADMP C1[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C12CC[NH2+]CC2 ZINC000925703635 646427870 /nfs/dbraw/zinc/42/78/70/646427870.db2.gz DNMBMDVLLDIPCE-VZKILSJISA-N 2 1 247.386 0.715 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925705077 646429378 /nfs/dbraw/zinc/42/93/78/646429378.db2.gz JDZUZKGUJWSTMM-VXGBXAGGSA-N 2 1 241.379 0.437 20 0 BCADMP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717158 646440922 /nfs/dbraw/zinc/44/09/22/646440922.db2.gz FOFOPVLXGPZCEY-BBBLOLIVSA-N 2 1 241.335 0.254 20 0 BCADMP CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717159 646441447 /nfs/dbraw/zinc/44/14/47/646441447.db2.gz FOFOPVLXGPZCEY-GUBZILKMSA-N 2 1 241.335 0.254 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000925719107 646444569 /nfs/dbraw/zinc/44/45/69/646444569.db2.gz OIMJNYSNROIZNQ-GRYCIOLGSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000925737939 646453704 /nfs/dbraw/zinc/45/37/04/646453704.db2.gz RCPJLOBHOZDMQS-WDEREUQCSA-N 2 1 229.368 0.470 20 0 BCADMP [NH3+]C1CC(CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925729808 646454655 /nfs/dbraw/zinc/45/46/55/646454655.db2.gz MERRBGXJKKGQAB-VQXHTEKXSA-N 2 1 209.337 0.598 20 0 BCADMP Cc1nc(C)c(C[N@H+](C)CCOCC[NH3+])o1 ZINC000723656083 711531789 /nfs/dbraw/zinc/53/17/89/711531789.db2.gz UABXKNBRYHBEOY-UHFFFAOYSA-N 2 1 227.308 0.699 20 0 BCADMP Cc1nc(C)c(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000723656083 711531791 /nfs/dbraw/zinc/53/17/91/711531791.db2.gz UABXKNBRYHBEOY-UHFFFAOYSA-N 2 1 227.308 0.699 20 0 BCADMP CC(C)([NH3+])CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925736956 646460027 /nfs/dbraw/zinc/46/00/27/646460027.db2.gz LSLFNMDJBFKZTB-RYUDHWBXSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000925737936 646460288 /nfs/dbraw/zinc/46/02/88/646460288.db2.gz RCPJLOBHOZDMQS-GHMZBOCLSA-N 3 1 229.368 0.470 20 0 BCADMP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925785957 646464987 /nfs/dbraw/zinc/46/49/87/646464987.db2.gz MNBDACSGGBFCOU-NTZNESFSSA-N 2 1 225.380 0.914 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925769398 646471216 /nfs/dbraw/zinc/47/12/16/646471216.db2.gz CEAYKVSMLHQTFM-QJPTWQEYSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170627 646473895 /nfs/dbraw/zinc/47/38/95/646473895.db2.gz CBHKLPHIBFBKNF-RYUDHWBXSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170627 646473898 /nfs/dbraw/zinc/47/38/98/646473898.db2.gz CBHKLPHIBFBKNF-RYUDHWBXSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779781 646477046 /nfs/dbraw/zinc/47/70/46/646477046.db2.gz ZXMAEOGUDFJFNO-AEJSXWLSSA-N 3 1 235.322 0.947 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC000925781849 646478568 /nfs/dbraw/zinc/47/85/68/646478568.db2.gz GTVSMFXSQJUOEP-WFFHOREQSA-N 2 1 223.364 0.667 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000925787045 646483669 /nfs/dbraw/zinc/48/36/69/646483669.db2.gz RYFXQNOQDUPMPL-WYUUTHIRSA-N 2 1 211.353 0.559 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000925793345 646484349 /nfs/dbraw/zinc/48/43/49/646484349.db2.gz XZUJYIVKSPPUFX-VWYCJHECSA-N 2 1 246.376 0.009 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925791561 646485242 /nfs/dbraw/zinc/48/52/42/646485242.db2.gz BAKZKMRCYQAMNE-IJLUTSLNSA-N 2 1 225.380 0.962 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925822929 646496698 /nfs/dbraw/zinc/49/66/98/646496698.db2.gz MGQRAUFAJGSTKH-PMUOWJKOSA-N 2 1 225.336 0.228 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000925831415 646500905 /nfs/dbraw/zinc/50/09/05/646500905.db2.gz ITLCFVNUYPZIFX-VEGXAWMVSA-N 2 1 240.347 0.520 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CN(C)C ZINC000925838111 646505429 /nfs/dbraw/zinc/50/54/29/646505429.db2.gz JXJNTXNGEDBMQT-GRYCIOLGSA-N 2 1 231.384 0.669 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925839600 646506075 /nfs/dbraw/zinc/50/60/75/646506075.db2.gz RYFLFBVJQWJQLE-VHSXEESVSA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H]2CCC[C@H]21 ZINC000925865316 646516679 /nfs/dbraw/zinc/51/66/79/646516679.db2.gz GGQOSDDEPYNHRY-WHOHXGKFSA-N 2 1 225.336 0.352 20 0 BCADMP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863625 646516828 /nfs/dbraw/zinc/51/68/28/646516828.db2.gz CXAKGCZNEKNUJC-YNEHKIRRSA-N 2 1 239.363 0.648 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880114 646529874 /nfs/dbraw/zinc/52/98/74/646529874.db2.gz OGELHLRZPFDCJG-WRWGMCAJSA-N 2 1 223.364 0.973 20 0 BCADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C)n1 ZINC000926252551 646605689 /nfs/dbraw/zinc/60/56/89/646605689.db2.gz FMLWGUPCJMRKPR-SNVBAGLBSA-N 2 1 241.339 0.044 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCO ZINC000926302469 646612466 /nfs/dbraw/zinc/61/24/66/646612466.db2.gz DMQDYWODHVEQDI-FOSCPWQOSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@@H](C[NH2+][C@H]1C(=O)NCC1(C)C)C[NH+](C)C ZINC000926476364 646653898 /nfs/dbraw/zinc/65/38/98/646653898.db2.gz ZZQWQVVTRCLJTL-UWVGGRQHSA-N 2 1 227.352 0.298 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000723701785 711535368 /nfs/dbraw/zinc/53/53/68/711535368.db2.gz PUUBNSHHLCCKIA-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712246 711535770 /nfs/dbraw/zinc/53/57/70/711535770.db2.gz OUFCVGWMEITYIC-NSHDSACASA-N 2 1 222.336 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1CC[NH3+] ZINC000723890863 711543720 /nfs/dbraw/zinc/54/37/20/711543720.db2.gz IWPHETGDNJHSMG-CHWSQXEVSA-N 2 1 241.379 0.235 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000724158547 711565273 /nfs/dbraw/zinc/56/52/73/711565273.db2.gz YCOQJZMRIKSZOY-IJLUTSLNSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720900775 711686986 /nfs/dbraw/zinc/68/69/86/711686986.db2.gz QTKCCNNRRIXYSY-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925688563 711709291 /nfs/dbraw/zinc/70/92/91/711709291.db2.gz DYIATZCXOKZHEW-AXFHLTTASA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689152 711709623 /nfs/dbraw/zinc/70/96/23/711709623.db2.gz GYRKDFWETJLFGB-STQMWFEESA-N 3 1 240.395 0.012 20 0 BCADMP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726680 711769795 /nfs/dbraw/zinc/76/97/95/711769795.db2.gz VMCJQVUTSXHXSX-GXSJLCMTSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054334 711805368 /nfs/dbraw/zinc/80/53/68/711805368.db2.gz MBXBAMCLOBOTPZ-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736623 711832777 /nfs/dbraw/zinc/83/27/77/711832777.db2.gz GPMVTTRRCKMRML-NWDGAFQWSA-N 2 1 232.368 0.689 20 0 BCADMP C[NH2+]CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000069730615 711893874 /nfs/dbraw/zinc/89/38/74/711893874.db2.gz XXVUMEZUUWECFX-NSHDSACASA-N 2 1 226.320 0.623 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC)[NH+](C)C ZINC001032633331 711930057 /nfs/dbraw/zinc/93/00/57/711930057.db2.gz LPKYLHUYBGQNBK-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC)[NH+](C)C ZINC001032633331 711930059 /nfs/dbraw/zinc/93/00/59/711930059.db2.gz LPKYLHUYBGQNBK-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP COC(=O)N(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000701694177 712027687 /nfs/dbraw/zinc/02/76/87/712027687.db2.gz VNILOWRRUZUUII-UWVGGRQHSA-N 2 1 229.324 0.415 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000702650546 712058561 /nfs/dbraw/zinc/05/85/61/712058561.db2.gz BBVPMSIUBTYZRP-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC(OC)C2)C1 ZINC000703165998 712067053 /nfs/dbraw/zinc/06/70/53/712067053.db2.gz CICSJOIRALYWPP-UNXYVOJBSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115471 /nfs/dbraw/zinc/11/54/71/712115471.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115474 /nfs/dbraw/zinc/11/54/74/712115474.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115478 /nfs/dbraw/zinc/11/54/78/712115478.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 2 1 242.363 0.003 20 0 BCADMP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035124387 712114153 /nfs/dbraw/zinc/11/41/53/712114153.db2.gz MKSDZRPOLCKLOF-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705672258 712134726 /nfs/dbraw/zinc/13/47/26/712134726.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705672258 712134728 /nfs/dbraw/zinc/13/47/28/712134728.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705672258 712134729 /nfs/dbraw/zinc/13/47/29/712134729.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705672258 712134730 /nfs/dbraw/zinc/13/47/30/712134730.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705672258 712134732 /nfs/dbraw/zinc/13/47/32/712134732.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705672258 712134733 /nfs/dbraw/zinc/13/47/33/712134733.db2.gz TUOWLQSKFWRSDS-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP C[NH+]1C[C@@]2(C)C[NH+](CCOCCO)C[C@]2(C)C1 ZINC000705666433 712134882 /nfs/dbraw/zinc/13/48/82/712134882.db2.gz HDKCOZAYMPDHPL-STQMWFEESA-N 2 1 242.363 0.269 20 0 BCADMP COC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705672255 712135354 /nfs/dbraw/zinc/13/53/54/712135354.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705672255 712135356 /nfs/dbraw/zinc/13/53/56/712135356.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705672255 712135357 /nfs/dbraw/zinc/13/53/57/712135357.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705672255 712135358 /nfs/dbraw/zinc/13/53/58/712135358.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705672255 712135360 /nfs/dbraw/zinc/13/53/60/712135360.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP COC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705672255 712135361 /nfs/dbraw/zinc/13/53/61/712135361.db2.gz TUOWLQSKFWRSDS-RWMBFGLXSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567659 712150206 /nfs/dbraw/zinc/15/02/06/712150206.db2.gz AFPRHAMFSPIXGF-MNOVXSKESA-N 2 1 248.392 0.338 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708322107 712186248 /nfs/dbraw/zinc/18/62/48/712186248.db2.gz CHUXBZJUNWTBST-VHSXEESVSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708322107 712186250 /nfs/dbraw/zinc/18/62/50/712186250.db2.gz CHUXBZJUNWTBST-VHSXEESVSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000709537204 712223828 /nfs/dbraw/zinc/22/38/28/712223828.db2.gz QMYOBNLSEVYDTE-NOOOWODRSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000709537204 712223830 /nfs/dbraw/zinc/22/38/30/712223830.db2.gz QMYOBNLSEVYDTE-NOOOWODRSA-N 2 1 230.352 0.441 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996676 712238689 /nfs/dbraw/zinc/23/86/89/712238689.db2.gz OPAJTMLDZAFBRH-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCCCC[NH3+] ZINC000710751678 712256213 /nfs/dbraw/zinc/25/62/13/712256213.db2.gz VJDSALSMIZGAIN-NSHDSACASA-N 2 1 229.368 0.914 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711310336 712293601 /nfs/dbraw/zinc/29/36/01/712293601.db2.gz JWQRVOGMDHIXAA-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312686 712293690 /nfs/dbraw/zinc/29/36/90/712293690.db2.gz YKMMPIVVQLKEGS-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311152 /nfs/dbraw/zinc/31/11/52/712311152.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311153 /nfs/dbraw/zinc/31/11/53/712311153.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311156 /nfs/dbraw/zinc/31/11/56/712311156.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 2 1 244.404 0.594 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000711658477 712314709 /nfs/dbraw/zinc/31/47/09/712314709.db2.gz YXPQYWRPVOHXSS-YPMHNXCESA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000711658477 712314710 /nfs/dbraw/zinc/31/47/10/712314710.db2.gz YXPQYWRPVOHXSS-YPMHNXCESA-N 2 1 224.348 0.997 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479515 712334317 /nfs/dbraw/zinc/33/43/17/712334317.db2.gz QRPONVQCTNANSP-LLVKDONJSA-N 2 1 237.351 0.777 20 0 BCADMP CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379340582 712375447 /nfs/dbraw/zinc/37/54/47/712375447.db2.gz LWPYUVJZCFPDQH-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379340582 712375448 /nfs/dbraw/zinc/37/54/48/712375448.db2.gz LWPYUVJZCFPDQH-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712437781 712429679 /nfs/dbraw/zinc/42/96/79/712429679.db2.gz KSEWGUUJJVTNCT-QWRGUYRKSA-N 2 1 228.336 0.340 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712437781 712429680 /nfs/dbraw/zinc/42/96/80/712429680.db2.gz KSEWGUUJJVTNCT-QWRGUYRKSA-N 2 1 228.336 0.340 20 0 BCADMP C[N@@H+](CCn1cnnn1)C1(C[NH3+])CCCCC1 ZINC000712551475 712444404 /nfs/dbraw/zinc/44/44/04/712444404.db2.gz JDELYJAQXDXUCB-UHFFFAOYSA-N 2 1 238.339 0.267 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716749630 712572459 /nfs/dbraw/zinc/57/24/59/712572459.db2.gz WGGBXAAAMWEARI-SNVBAGLBSA-N 2 1 206.305 0.590 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716749630 712572460 /nfs/dbraw/zinc/57/24/60/712572460.db2.gz WGGBXAAAMWEARI-SNVBAGLBSA-N 2 1 206.305 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCF ZINC000716749630 712572461 /nfs/dbraw/zinc/57/24/61/712572461.db2.gz WGGBXAAAMWEARI-SNVBAGLBSA-N 2 1 206.305 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCF ZINC000716749630 712572462 /nfs/dbraw/zinc/57/24/62/712572462.db2.gz WGGBXAAAMWEARI-SNVBAGLBSA-N 2 1 206.305 0.590 20 0 BCADMP C[N@@H+](CCCF)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000716808274 712575900 /nfs/dbraw/zinc/57/59/00/712575900.db2.gz JJSAWYJVZVYKEG-JTQLQIEISA-N 2 1 216.300 0.799 20 0 BCADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000379930346 712631717 /nfs/dbraw/zinc/63/17/17/712631717.db2.gz OBRDRHBBAMAISR-PHIMTYICSA-N 2 1 208.305 0.507 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484148 712650749 /nfs/dbraw/zinc/65/07/49/712650749.db2.gz ZPNTVKWFQUGPAH-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000718554705 712769064 /nfs/dbraw/zinc/76/90/64/712769064.db2.gz VENZTVFGJYVWNG-SFXRXQKFSA-N 2 1 225.336 0.371 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720896726 712876488 /nfs/dbraw/zinc/87/64/88/712876488.db2.gz DHSIGCVARHPOKH-UTUOFQBUSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000381345266 710625388 /nfs/dbraw/zinc/62/53/88/710625388.db2.gz YUOQUDXHIJQXLV-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000381345266 710625393 /nfs/dbraw/zinc/62/53/93/710625393.db2.gz YUOQUDXHIJQXLV-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000721910045 710690976 /nfs/dbraw/zinc/69/09/76/710690976.db2.gz CWHHPOWXEWPCDF-NEPJUHHUSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000721910045 710690978 /nfs/dbraw/zinc/69/09/78/710690978.db2.gz CWHHPOWXEWPCDF-NEPJUHHUSA-N 2 1 230.352 0.565 20 0 BCADMP CC(C)[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000380407766 712900618 /nfs/dbraw/zinc/90/06/18/712900618.db2.gz GKTHTOOEDJMYOS-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000380407766 712900619 /nfs/dbraw/zinc/90/06/19/712900619.db2.gz GKTHTOOEDJMYOS-LBPRGKRZSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000380407765 712900790 /nfs/dbraw/zinc/90/07/90/712900790.db2.gz GKTHTOOEDJMYOS-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[N@@H+](CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000380407765 712900791 /nfs/dbraw/zinc/90/07/91/712900791.db2.gz GKTHTOOEDJMYOS-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000380525872 712901243 /nfs/dbraw/zinc/90/12/43/712901243.db2.gz WCFDAODIURFZIU-WYUUTHIRSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000380525872 712901244 /nfs/dbraw/zinc/90/12/44/712901244.db2.gz WCFDAODIURFZIU-WYUUTHIRSA-N 2 1 212.337 0.951 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC[NH3+] ZINC000381839920 710732738 /nfs/dbraw/zinc/73/27/38/710732738.db2.gz STZOPVOZNICFCO-VHSXEESVSA-N 2 1 202.298 0.071 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724921489 710749489 /nfs/dbraw/zinc/74/94/89/710749489.db2.gz LTGPIVLIDNFEOC-STQMWFEESA-N 2 1 242.363 0.995 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945013 710750188 /nfs/dbraw/zinc/75/01/88/710750188.db2.gz WAAMRCVWVFTJON-IJLUTSLNSA-N 2 1 228.336 0.319 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)C1CC([NH3+])C1 ZINC000724935639 710750382 /nfs/dbraw/zinc/75/03/82/710750382.db2.gz IJSZEVHUMZCCIN-ILDUYXDCSA-N 2 1 214.309 0.213 20 0 BCADMP C[C@H]1CC[C@@H](C[N@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054915 710753005 /nfs/dbraw/zinc/75/30/05/710753005.db2.gz JDZNBMUQRQBRSB-RYUDHWBXSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054915 710753006 /nfs/dbraw/zinc/75/30/06/710753006.db2.gz JDZNBMUQRQBRSB-RYUDHWBXSA-N 2 1 242.363 0.994 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043878785 710814752 /nfs/dbraw/zinc/81/47/52/710814752.db2.gz BBRVTVLXIPYFMP-PWSUYJOCSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043878785 710814753 /nfs/dbraw/zinc/81/47/53/710814753.db2.gz BBRVTVLXIPYFMP-PWSUYJOCSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043878783 710814919 /nfs/dbraw/zinc/81/49/19/710814919.db2.gz BBRVTVLXIPYFMP-JQWIXIFHSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043878783 710814922 /nfs/dbraw/zinc/81/49/22/710814922.db2.gz BBRVTVLXIPYFMP-JQWIXIFHSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044191090 710821198 /nfs/dbraw/zinc/82/11/98/710821198.db2.gz NUQFYANWGHOZTA-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044191090 710821201 /nfs/dbraw/zinc/82/12/01/710821201.db2.gz NUQFYANWGHOZTA-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133090391 710967845 /nfs/dbraw/zinc/96/78/45/710967845.db2.gz IHVIVCITQCQPPB-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP NC(=O)C[N@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC000382532521 710973496 /nfs/dbraw/zinc/97/34/96/710973496.db2.gz LPKBCJFJBBTPKC-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP NC(=O)C[N@@H+](CCC[NH2+]C1CC1)C1CCCC1 ZINC000382532521 710973498 /nfs/dbraw/zinc/97/34/98/710973498.db2.gz LPKBCJFJBBTPKC-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP CCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384658224 710994900 /nfs/dbraw/zinc/99/49/00/710994900.db2.gz VMOKTTHUAYWXKR-NNYUYHANSA-N 2 1 212.337 0.639 20 0 BCADMP CCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384658224 710994903 /nfs/dbraw/zinc/99/49/03/710994903.db2.gz VMOKTTHUAYWXKR-NNYUYHANSA-N 2 1 212.337 0.639 20 0 BCADMP CC1(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000387895140 711047821 /nfs/dbraw/zinc/04/78/21/711047821.db2.gz SNNWCDGXNWMHHZ-NWDGAFQWSA-N 2 1 242.363 0.146 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000387895140 711047824 /nfs/dbraw/zinc/04/78/24/711047824.db2.gz SNNWCDGXNWMHHZ-NWDGAFQWSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)C2)N1 ZINC000389312923 711076259 /nfs/dbraw/zinc/07/62/59/711076259.db2.gz CMMAYJBHLROIND-UWVGGRQHSA-N 2 1 210.325 0.266 20 0 BCADMP COC(C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000390161554 711107316 /nfs/dbraw/zinc/10/73/16/711107316.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 2 1 228.336 0.489 20 0 BCADMP COC(C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000390161554 711107318 /nfs/dbraw/zinc/10/73/18/711107318.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 2 1 228.336 0.489 20 0 BCADMP COC(C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000390161554 711107321 /nfs/dbraw/zinc/10/73/21/711107321.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 2 1 228.336 0.489 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390517258 711123027 /nfs/dbraw/zinc/12/30/27/711123027.db2.gz DNMWOKHXXWJMMF-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1C[NH3+] ZINC000390583756 711126309 /nfs/dbraw/zinc/12/63/09/711126309.db2.gz QBGVHQAQPSIVHG-MNOVXSKESA-N 2 1 223.324 0.195 20 0 BCADMP CC[N@H+](CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000393820614 711176052 /nfs/dbraw/zinc/17/60/52/711176052.db2.gz QZMPQXOBTOJBKU-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CC[N@@H+](CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000393820614 711176056 /nfs/dbraw/zinc/17/60/56/711176056.db2.gz QZMPQXOBTOJBKU-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000393823724 711177162 /nfs/dbraw/zinc/17/71/62/711177162.db2.gz BFZOQZVGVWSSAS-RWMBFGLXSA-N 2 1 243.395 0.323 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000396654794 711360969 /nfs/dbraw/zinc/36/09/69/711360969.db2.gz FOTFRMWRSAJGQU-PWSUYJOCSA-N 2 1 222.336 0.693 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396626856 711361074 /nfs/dbraw/zinc/36/10/74/711361074.db2.gz WKRSIRJFYUDHBT-VHSXEESVSA-N 2 1 227.352 0.489 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396701133 711367428 /nfs/dbraw/zinc/36/74/28/711367428.db2.gz HFANFNNEHUYMHH-IVZWLZJFSA-N 2 1 213.325 0.241 20 0 BCADMP Cn1ncc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000381033506 710599290 /nfs/dbraw/zinc/59/92/90/710599290.db2.gz DUGAGJITBJSRCK-UHFFFAOYSA-N 2 1 223.324 0.376 20 0 BCADMP CCCNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000381131632 710604129 /nfs/dbraw/zinc/60/41/29/710604129.db2.gz KUUNDBSFIGIGRK-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000381345286 710624871 /nfs/dbraw/zinc/62/48/71/710624871.db2.gz YUOQUDXHIJQXLV-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000381345286 710624873 /nfs/dbraw/zinc/62/48/73/710624873.db2.gz YUOQUDXHIJQXLV-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000721956072 710693813 /nfs/dbraw/zinc/69/38/13/710693813.db2.gz SPYLBCAGYJXYQH-WUHRBBMRSA-N 2 1 224.348 0.953 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724561202 710742254 /nfs/dbraw/zinc/74/22/54/710742254.db2.gz AKHFRFBCKQVEKD-DRZSPHRISA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724564297 710742601 /nfs/dbraw/zinc/74/26/01/710742601.db2.gz VJNFHTDFTRRXRT-WHOHXGKFSA-N 2 1 226.320 0.071 20 0 BCADMP C[NH2+]CCC[N@H+](C)C(COC)COC ZINC000384903507 711000322 /nfs/dbraw/zinc/00/03/22/711000322.db2.gz BGSPLYOQHAWUFO-UHFFFAOYSA-N 2 1 204.314 0.189 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C(COC)COC ZINC000384903507 711000324 /nfs/dbraw/zinc/00/03/24/711000324.db2.gz BGSPLYOQHAWUFO-UHFFFAOYSA-N 2 1 204.314 0.189 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000384910209 711000474 /nfs/dbraw/zinc/00/04/74/711000474.db2.gz DEEOMFLBUPLJHR-VHSXEESVSA-N 2 1 216.325 0.317 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000384891221 711000486 /nfs/dbraw/zinc/00/04/86/711000486.db2.gz YFGQFOJTPZQPNT-QWRGUYRKSA-N 2 1 230.352 0.707 20 0 BCADMP COCC(COC)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000384950321 711002015 /nfs/dbraw/zinc/00/20/15/711002015.db2.gz LPQHNYMJJOHSAH-LBPRGKRZSA-N 2 1 232.368 0.953 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000385010354 711003346 /nfs/dbraw/zinc/00/33/46/711003346.db2.gz XRUUXXHKVMFZTE-WDEREUQCSA-N 2 1 230.352 0.565 20 0 BCADMP CON(C)C(=O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397541864 711386481 /nfs/dbraw/zinc/38/64/81/711386481.db2.gz XIQYGJHAVJMQCA-NXEZZACHSA-N 2 1 229.324 0.079 20 0 BCADMP CCOC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717910217 711492215 /nfs/dbraw/zinc/49/22/15/711492215.db2.gz BEZSWZYKSZIZNI-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723668676 711532927 /nfs/dbraw/zinc/53/29/27/711532927.db2.gz AKGDKUXHFMWRJL-GFCCVEGCSA-N 2 1 247.342 0.956 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713674 711535287 /nfs/dbraw/zinc/53/52/87/711535287.db2.gz XGUVZBBMJRHKJE-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703744 711535419 /nfs/dbraw/zinc/53/54/19/711535419.db2.gz VRWKEXMHERRQIP-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703744 711535421 /nfs/dbraw/zinc/53/54/21/711535421.db2.gz VRWKEXMHERRQIP-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1cn[nH]c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703744 711535424 /nfs/dbraw/zinc/53/54/24/711535424.db2.gz VRWKEXMHERRQIP-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723883809 711543139 /nfs/dbraw/zinc/54/31/39/711543139.db2.gz RDMNGSFKLUIINO-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CC[NH3+] ZINC000723881880 711543162 /nfs/dbraw/zinc/54/31/62/711543162.db2.gz CTUJVZZZJBAHAT-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CC[NH3+] ZINC000723883315 711543413 /nfs/dbraw/zinc/54/34/13/711543413.db2.gz OKGVMRHTBFXZNC-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892065 711544155 /nfs/dbraw/zinc/54/41/55/711544155.db2.gz UIIZGBIVGBFKJS-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658247 711546763 /nfs/dbraw/zinc/54/67/63/711546763.db2.gz MMJDMOKBDSMKDI-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658247 711546764 /nfs/dbraw/zinc/54/67/64/711546764.db2.gz MMJDMOKBDSMKDI-LBPRGKRZSA-N 2 1 244.379 0.536 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000723961287 711547880 /nfs/dbraw/zinc/54/78/80/711547880.db2.gz CLIWYZDFYKPKDL-QWRGUYRKSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1cn(C)nc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000723961287 711547883 /nfs/dbraw/zinc/54/78/83/711547883.db2.gz CLIWYZDFYKPKDL-QWRGUYRKSA-N 2 1 222.336 0.898 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000724190643 711568681 /nfs/dbraw/zinc/56/86/81/711568681.db2.gz ZNLRKZHMKRJSCX-FRRDWIJNSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000724190643 711568685 /nfs/dbraw/zinc/56/86/85/711568685.db2.gz ZNLRKZHMKRJSCX-FRRDWIJNSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000724190643 711568688 /nfs/dbraw/zinc/56/86/88/711568688.db2.gz ZNLRKZHMKRJSCX-FRRDWIJNSA-N 2 1 244.379 0.797 20 0 BCADMP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000724190643 711568690 /nfs/dbraw/zinc/56/86/90/711568690.db2.gz ZNLRKZHMKRJSCX-FRRDWIJNSA-N 2 1 244.379 0.797 20 0 BCADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000724544063 711588300 /nfs/dbraw/zinc/58/83/00/711588300.db2.gz ITLCFVNUYPZIFX-PPCPHDFISA-N 2 1 240.347 0.520 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724562566 711592320 /nfs/dbraw/zinc/59/23/20/711592320.db2.gz HJEZSAGBXAEUFO-RXGFPQBGSA-N 2 1 240.347 0.602 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562128 711592534 /nfs/dbraw/zinc/59/25/34/711592534.db2.gz FXZOGYNXHQNRFT-CKIKVBCHSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562130 711592609 /nfs/dbraw/zinc/59/26/09/711592609.db2.gz FXZOGYNXHQNRFT-PPCPHDFISA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564248 711592868 /nfs/dbraw/zinc/59/28/68/711592868.db2.gz RRGRMOXLNBTELK-WOPDTQHZSA-N 2 1 242.363 0.707 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724920461 711628572 /nfs/dbraw/zinc/62/85/72/711628572.db2.gz GEYIRBZPLGPJTF-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CCOC2)CC[N@H+]1C ZINC000724934687 711631247 /nfs/dbraw/zinc/63/12/47/711631247.db2.gz DPFRHHFHQNJYLL-UPJWGTAASA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC(O)C3)CC[N@@H+]1C ZINC000724958052 711634675 /nfs/dbraw/zinc/63/46/75/711634675.db2.gz LFVYNMKRVTYEQM-SRMYXAEUSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC(O)C3)CC[N@H+]1C ZINC000724958052 711634676 /nfs/dbraw/zinc/63/46/76/711634676.db2.gz LFVYNMKRVTYEQM-SRMYXAEUSA-N 2 1 224.348 0.972 20 0 BCADMP CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000722184108 711717578 /nfs/dbraw/zinc/71/75/78/711717578.db2.gz PHKARLOFYWQJHJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253133214 711764358 /nfs/dbraw/zinc/76/43/58/711764358.db2.gz XXPJDWWFRNJXHF-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253133214 711764360 /nfs/dbraw/zinc/76/43/60/711764360.db2.gz XXPJDWWFRNJXHF-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573964 711770182 /nfs/dbraw/zinc/77/01/82/711770182.db2.gz VACBYKNEZMBHQX-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573964 711770183 /nfs/dbraw/zinc/77/01/83/711770183.db2.gz VACBYKNEZMBHQX-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573964 711770184 /nfs/dbraw/zinc/77/01/84/711770184.db2.gz VACBYKNEZMBHQX-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573964 711770185 /nfs/dbraw/zinc/77/01/85/711770185.db2.gz VACBYKNEZMBHQX-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000336764029 711775113 /nfs/dbraw/zinc/77/51/13/711775113.db2.gz PTEGNXUIEZFVLS-SRVKXCTJSA-N 2 1 214.353 0.933 20 0 BCADMP CN(C)c1nc(N[C@@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000721867266 711792702 /nfs/dbraw/zinc/79/27/02/711792702.db2.gz RIBGCSNODSCZAF-SECBINFHSA-N 2 1 235.335 0.953 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160263249 711806259 /nfs/dbraw/zinc/80/62/59/711806259.db2.gz CNOGKDDKPATMHO-ZJUUUORDSA-N 2 1 227.308 0.026 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160263249 711806260 /nfs/dbraw/zinc/80/62/60/711806260.db2.gz CNOGKDDKPATMHO-ZJUUUORDSA-N 2 1 227.308 0.026 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000925474151 711879649 /nfs/dbraw/zinc/87/96/49/711879649.db2.gz AAVMOJJZLGFJFV-JTQLQIEISA-N 2 1 241.335 0.559 20 0 BCADMP COC[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000721911783 711917495 /nfs/dbraw/zinc/91/74/95/711917495.db2.gz KKTWGOMPAIEYSZ-GHMZBOCLSA-N 2 1 218.341 0.156 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782991 711938460 /nfs/dbraw/zinc/93/84/60/711938460.db2.gz QPEFWBZQNSRZME-RYUDHWBXSA-N 2 1 237.347 0.387 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCO)CC[C@@H]1C(F)(F)F ZINC000700798234 712005895 /nfs/dbraw/zinc/00/58/95/712005895.db2.gz VXYQYGUVNPHWMH-YUMQZZPRSA-N 2 1 226.242 0.438 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCO)CC[C@@H]1C(F)(F)F ZINC000700798234 712005896 /nfs/dbraw/zinc/00/58/96/712005896.db2.gz VXYQYGUVNPHWMH-YUMQZZPRSA-N 2 1 226.242 0.438 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000702069229 712037246 /nfs/dbraw/zinc/03/72/46/712037246.db2.gz IGHGHNHILDZURU-WCQYABFASA-N 2 1 237.347 0.150 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000702069229 712037247 /nfs/dbraw/zinc/03/72/47/712037247.db2.gz IGHGHNHILDZURU-WCQYABFASA-N 2 1 237.347 0.150 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000702278424 712045240 /nfs/dbraw/zinc/04/52/40/712045240.db2.gz OORFQGLGAGYSAE-PWSUYJOCSA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)O)C[C@]2(C)C1 ZINC000702278424 712045241 /nfs/dbraw/zinc/04/52/41/712045241.db2.gz OORFQGLGAGYSAE-PWSUYJOCSA-N 2 1 212.337 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)O)C[C@]2(C)C1 ZINC000702278424 712045244 /nfs/dbraw/zinc/04/52/44/712045244.db2.gz OORFQGLGAGYSAE-PWSUYJOCSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047784 /nfs/dbraw/zinc/04/77/84/712047784.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 3 1 237.391 0.997 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047787 /nfs/dbraw/zinc/04/77/87/712047787.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 3 1 237.391 0.997 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047788 /nfs/dbraw/zinc/04/77/88/712047788.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 3 1 237.391 0.997 20 0 BCADMP CN1C[C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047791 /nfs/dbraw/zinc/04/77/91/712047791.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 2 1 237.391 0.997 20 0 BCADMP CN1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047793 /nfs/dbraw/zinc/04/77/93/712047793.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 2 1 237.391 0.997 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049585 /nfs/dbraw/zinc/04/95/85/712049585.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 2 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049586 /nfs/dbraw/zinc/04/95/86/712049586.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 3 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049589 /nfs/dbraw/zinc/04/95/89/712049589.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 3 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049591 /nfs/dbraw/zinc/04/95/91/712049591.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 2 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049592 /nfs/dbraw/zinc/04/95/92/712049592.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 2 1 237.391 0.870 20 0 BCADMP C[N@H+]1C[C@@H]2CN(CC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000702433894 712052982 /nfs/dbraw/zinc/05/29/82/712052982.db2.gz GWJZGAKBLCHGOM-PWSUYJOCSA-N 2 1 211.353 0.607 20 0 BCADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591392 712055923 /nfs/dbraw/zinc/05/59/23/712055923.db2.gz NQVPMQUDUIQANU-CYBMUJFWSA-N 2 1 248.330 0.689 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702612622 712057288 /nfs/dbraw/zinc/05/72/88/712057288.db2.gz NJEFLLCJHIVHGW-SDDRHHMPSA-N 2 1 212.337 0.689 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000703616668 712081101 /nfs/dbraw/zinc/08/11/01/712081101.db2.gz PRUMQCYBQXGTSN-BETUJISGSA-N 2 1 223.364 0.751 20 0 BCADMP COC1CC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000703854476 712090354 /nfs/dbraw/zinc/09/03/54/712090354.db2.gz LBWBVFNNLFRARH-MCIGGMRASA-N 2 1 228.336 0.461 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C)cn1 ZINC000706647861 712150677 /nfs/dbraw/zinc/15/06/77/712150677.db2.gz DHBVOIPTYUCMQH-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C)cn1 ZINC000706647861 712150678 /nfs/dbraw/zinc/15/06/78/712150678.db2.gz DHBVOIPTYUCMQH-UHFFFAOYSA-N 2 1 238.335 0.453 20 0 BCADMP CSC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000706813729 712156461 /nfs/dbraw/zinc/15/64/61/712156461.db2.gz DTKQZWROWJSZIA-VQXHTEKXSA-N 2 1 230.377 0.537 20 0 BCADMP CSC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000706813729 712156464 /nfs/dbraw/zinc/15/64/64/712156464.db2.gz DTKQZWROWJSZIA-VQXHTEKXSA-N 2 1 230.377 0.537 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160444 /nfs/dbraw/zinc/16/04/44/712160444.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 3 1 209.337 0.217 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160445 /nfs/dbraw/zinc/16/04/45/712160445.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 3 1 209.337 0.217 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160446 /nfs/dbraw/zinc/16/04/46/712160446.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 3 1 209.337 0.217 20 0 BCADMP CN1C[C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160447 /nfs/dbraw/zinc/16/04/47/712160447.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 2 1 209.337 0.217 20 0 BCADMP CN1C[C@@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160448 /nfs/dbraw/zinc/16/04/48/712160448.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 2 1 209.337 0.217 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@@H]([NH3+])CC(F)F)C[C@H]2C1 ZINC000706993846 712163922 /nfs/dbraw/zinc/16/39/22/712163922.db2.gz OECJODIXYSBAGB-AEJSXWLSSA-N 2 1 233.306 0.462 20 0 BCADMP CSC1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000708299856 712185515 /nfs/dbraw/zinc/18/55/15/712185515.db2.gz DTOUAIQDRYEQDD-KYHHOPLUSA-N 2 1 218.366 0.393 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000708713015 712197431 /nfs/dbraw/zinc/19/74/31/712197431.db2.gz NSOWFENPGNZDPG-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000708713015 712197433 /nfs/dbraw/zinc/19/74/33/712197433.db2.gz NSOWFENPGNZDPG-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000708860918 712201190 /nfs/dbraw/zinc/20/11/90/712201190.db2.gz FOURIQISWRADBZ-PRJMDXOYSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000708860918 712201192 /nfs/dbraw/zinc/20/11/92/712201192.db2.gz FOURIQISWRADBZ-PRJMDXOYSA-N 2 1 226.242 0.436 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000708577070 712213490 /nfs/dbraw/zinc/21/34/90/712213490.db2.gz NFNADEATVADJBE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000708577070 712213492 /nfs/dbraw/zinc/21/34/92/712213492.db2.gz NFNADEATVADJBE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000708577070 712213494 /nfs/dbraw/zinc/21/34/94/712213494.db2.gz NFNADEATVADJBE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461479 712222339 /nfs/dbraw/zinc/22/23/39/712222339.db2.gz IYUMLAFRSRPJGU-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461479 712222342 /nfs/dbraw/zinc/22/23/42/712222342.db2.gz IYUMLAFRSRPJGU-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000709480570 712222633 /nfs/dbraw/zinc/22/26/33/712222633.db2.gz CSQMYBPDTUENQX-GFCCVEGCSA-N 2 1 240.347 0.966 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCOC1)C2 ZINC000709824761 712228707 /nfs/dbraw/zinc/22/87/07/712228707.db2.gz VGNCJOFKCXPWOP-YFKTTZPYSA-N 2 1 210.321 0.835 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709851259 712229864 /nfs/dbraw/zinc/22/98/64/712229864.db2.gz ZFATXDZPEUHYBO-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCCC1=O)C2 ZINC000709886921 712231525 /nfs/dbraw/zinc/23/15/25/712231525.db2.gz GNXUSHNRCLQEIO-SRVKXCTJSA-N 2 1 237.347 0.420 20 0 BCADMP COC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710712920 712254748 /nfs/dbraw/zinc/25/47/48/712254748.db2.gz CVMMRURWUZILKD-JTQLQIEISA-N 2 1 216.325 0.999 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000922907356 712285232 /nfs/dbraw/zinc/28/52/32/712285232.db2.gz HPDIOLWQEWZAAX-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000922907356 712285233 /nfs/dbraw/zinc/28/52/33/712285233.db2.gz HPDIOLWQEWZAAX-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000922907356 712285234 /nfs/dbraw/zinc/28/52/34/712285234.db2.gz HPDIOLWQEWZAAX-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543561 712310610 /nfs/dbraw/zinc/31/06/10/712310610.db2.gz VLXBWNKHHONLJF-GARJFASQSA-N 2 1 212.362 0.891 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000711658475 712315040 /nfs/dbraw/zinc/31/50/40/712315040.db2.gz YXPQYWRPVOHXSS-DGCLKSJQSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000711658475 712315042 /nfs/dbraw/zinc/31/50/42/712315042.db2.gz YXPQYWRPVOHXSS-DGCLKSJQSA-N 2 1 224.348 0.997 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC1CC1 ZINC000711755684 712324955 /nfs/dbraw/zinc/32/49/55/712324955.db2.gz YCHRNXOTGBTSLF-ZYHUDNBSSA-N 2 1 210.321 0.849 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479751 712334201 /nfs/dbraw/zinc/33/42/01/712334201.db2.gz SLNHJRUFUWPJGT-CHWSQXEVSA-N 2 1 244.379 0.691 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478842 712334470 /nfs/dbraw/zinc/33/44/70/712334470.db2.gz HYJCWSVWIWJQGP-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP COC(C)(C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000711865534 712336292 /nfs/dbraw/zinc/33/62/92/712336292.db2.gz YARAFOHBAXLACU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP COC(C)(C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000711865534 712336293 /nfs/dbraw/zinc/33/62/93/712336293.db2.gz YARAFOHBAXLACU-LBPRGKRZSA-N 2 1 244.379 0.846 20 0 BCADMP CC(=O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702397825 712357641 /nfs/dbraw/zinc/35/76/41/712357641.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 1 210.321 0.849 20 0 BCADMP CC(=O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000702397825 712357643 /nfs/dbraw/zinc/35/76/43/712357643.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 1 210.321 0.849 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378709190 712358213 /nfs/dbraw/zinc/35/82/13/712358213.db2.gz RTQWJFBTWORIPP-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](O)CC1 ZINC000378709190 712358215 /nfs/dbraw/zinc/35/82/15/712358215.db2.gz RTQWJFBTWORIPP-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000378712717 712358846 /nfs/dbraw/zinc/35/88/46/712358846.db2.gz VHTPDCKPONXMHC-XADZXUCXSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000724564245 712392376 /nfs/dbraw/zinc/39/23/76/712392376.db2.gz RRGRMOXLNBTELK-GRYCIOLGSA-N 2 1 242.363 0.707 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000379713910 712392647 /nfs/dbraw/zinc/39/26/47/712392647.db2.gz DIPRLFMCEWCTLH-GFCCVEGCSA-N 2 1 212.337 0.929 20 0 BCADMP CN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712554820 712444786 /nfs/dbraw/zinc/44/47/86/712444786.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 1 223.364 0.905 20 0 BCADMP C[C@H]1CCC[N@@H+](CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574855 712448282 /nfs/dbraw/zinc/44/82/82/712448282.db2.gz DNJOXHMOKWJFBS-QWRGUYRKSA-N 2 1 238.339 0.122 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715402890 712517033 /nfs/dbraw/zinc/51/70/33/712517033.db2.gz NDVHGWCYXQFIFL-QWHCGFSZSA-N 2 1 242.363 0.851 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715492925 712523328 /nfs/dbraw/zinc/52/33/28/712523328.db2.gz AVTDXLOZUFVELS-GRYCIOLGSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715492925 712523329 /nfs/dbraw/zinc/52/33/29/712523329.db2.gz AVTDXLOZUFVELS-GRYCIOLGSA-N 2 1 228.336 0.195 20 0 BCADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cn(C)nn1 ZINC000715840578 712532857 /nfs/dbraw/zinc/53/28/57/712532857.db2.gz YHXPYBCNFPKKOR-SNVBAGLBSA-N 2 1 241.339 0.044 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716293310 712553783 /nfs/dbraw/zinc/55/37/83/712553783.db2.gz KNSSGBNDGLHDEE-RYUDHWBXSA-N 2 1 242.363 0.587 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716293310 712553785 /nfs/dbraw/zinc/55/37/85/712553785.db2.gz KNSSGBNDGLHDEE-RYUDHWBXSA-N 2 1 242.363 0.587 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716749627 712572285 /nfs/dbraw/zinc/57/22/85/712572285.db2.gz WGGBXAAAMWEARI-JTQLQIEISA-N 2 1 206.305 0.590 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716749627 712572287 /nfs/dbraw/zinc/57/22/87/712572287.db2.gz WGGBXAAAMWEARI-JTQLQIEISA-N 2 1 206.305 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCF ZINC000716749627 712572288 /nfs/dbraw/zinc/57/22/88/712572288.db2.gz WGGBXAAAMWEARI-JTQLQIEISA-N 2 1 206.305 0.590 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCF ZINC000716749627 712572290 /nfs/dbraw/zinc/57/22/90/712572290.db2.gz WGGBXAAAMWEARI-JTQLQIEISA-N 2 1 206.305 0.590 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000818610789 712590213 /nfs/dbraw/zinc/59/02/13/712590213.db2.gz VLJFFZKMMBRXNF-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP C[N@@H+](CCCCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000379808445 712605720 /nfs/dbraw/zinc/60/57/20/712605720.db2.gz IINKZZYKDMVENF-CYBMUJFWSA-N 2 1 244.379 0.538 20 0 BCADMP CC[N@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925489823 712615587 /nfs/dbraw/zinc/61/55/87/712615587.db2.gz AOPCVFHLKMMUDV-NEPJUHHUSA-N 2 1 227.352 0.049 20 0 BCADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ncn(C)n1 ZINC000391835622 712628530 /nfs/dbraw/zinc/62/85/30/712628530.db2.gz JEKGCWJKQSMQLW-JTQLQIEISA-N 2 1 237.351 0.808 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037476568 712647565 /nfs/dbraw/zinc/64/75/65/712647565.db2.gz RFVZFHMYSPLBAE-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP CCc1cc(NC[C@@H](O)C[NH+](C)C)nc(C)[nH+]1 ZINC000717368962 712652381 /nfs/dbraw/zinc/65/23/81/712652381.db2.gz XJRYKGHUWTTWDX-LLVKDONJSA-N 2 1 238.335 0.682 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)CC[N@@H+]1C ZINC000380123122 712688336 /nfs/dbraw/zinc/68/83/36/712688336.db2.gz RAVBLAKZPFKUCE-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)CC[N@H+]1C ZINC000380123122 712688338 /nfs/dbraw/zinc/68/83/38/712688338.db2.gz RAVBLAKZPFKUCE-YUSALJHKSA-N 2 1 212.337 0.830 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000384949635 712707135 /nfs/dbraw/zinc/70/71/35/712707135.db2.gz LMIUOGIZSBABAY-PWSUYJOCSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1[C@H](NC[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000719634344 712814784 /nfs/dbraw/zinc/81/47/84/712814784.db2.gz BLGYUSGOPPUTFS-KGYLQXTDSA-N 2 1 241.379 0.124 20 0 BCADMP C[C@@H]1[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000719634344 712814788 /nfs/dbraw/zinc/81/47/88/712814788.db2.gz BLGYUSGOPPUTFS-KGYLQXTDSA-N 2 1 241.379 0.124 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000380232994 712835222 /nfs/dbraw/zinc/83/52/22/712835222.db2.gz RUTTXZVAYXWDTJ-STQMWFEESA-N 2 1 240.347 0.724 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000380232994 712835224 /nfs/dbraw/zinc/83/52/24/712835224.db2.gz RUTTXZVAYXWDTJ-STQMWFEESA-N 2 1 240.347 0.724 20 0 BCADMP C[NH2+]CCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720899761 712875289 /nfs/dbraw/zinc/87/52/89/712875289.db2.gz MVQMXFBRXHAOHS-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901472 712876021 /nfs/dbraw/zinc/87/60/21/712876021.db2.gz SALRTASNGGPNAT-USZNOCQGSA-N 2 1 237.347 0.419 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720897502 712876414 /nfs/dbraw/zinc/87/64/14/712876414.db2.gz HTKCPCDZEOIPMH-AXFHLTTASA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1C ZINC000720956284 712882924 /nfs/dbraw/zinc/88/29/24/712882924.db2.gz IMDQSPQNGIAMSO-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721177685 712895959 /nfs/dbraw/zinc/89/59/59/712895959.db2.gz QREUPINESHDQQR-NWDGAFQWSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721177685 712895961 /nfs/dbraw/zinc/89/59/61/712895961.db2.gz QREUPINESHDQQR-NWDGAFQWSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642415 719196199 /nfs/dbraw/zinc/19/61/99/719196199.db2.gz YFCBIVKYQAWKRZ-UWVGGRQHSA-N 2 1 247.346 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642416 719196544 /nfs/dbraw/zinc/19/65/44/719196544.db2.gz YFCBIVKYQAWKRZ-VHSXEESVSA-N 2 1 247.346 0.609 20 0 BCADMP C[N@H+]1CCO[C@@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001164669117 719381600 /nfs/dbraw/zinc/38/16/00/719381600.db2.gz PYKZUBNJKOSOHG-VHSXEESVSA-N 2 1 234.303 0.183 20 0 BCADMP C[C@H](CNC(N)=[NH2+])[N@H+](C)Cc1ccccc1 ZINC000264893408 398139145 /nfs/dbraw/zinc/13/91/45/398139145.db2.gz WNSDLQGKVAMIDL-SNVBAGLBSA-N 2 1 220.320 0.990 20 0 BCADMP C[C@H](CNC(N)=[NH2+])[N@@H+](C)Cc1ccccc1 ZINC000264893408 398139149 /nfs/dbraw/zinc/13/91/49/398139149.db2.gz WNSDLQGKVAMIDL-SNVBAGLBSA-N 2 1 220.320 0.990 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318507 398141844 /nfs/dbraw/zinc/14/18/44/398141844.db2.gz QYSNYWPBAKIRIB-QCNOEVLYSA-N 2 1 239.363 0.583 20 0 BCADMP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC1(C)C ZINC000572420254 398142150 /nfs/dbraw/zinc/14/21/50/398142150.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 1 244.379 0.656 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CC1(C)C ZINC000572420254 398142155 /nfs/dbraw/zinc/14/21/55/398142155.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318441 398142590 /nfs/dbraw/zinc/14/25/90/398142590.db2.gz KWHSZBAYTPVPJB-MXWKQRLJSA-N 2 1 225.336 0.193 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341956 398158646 /nfs/dbraw/zinc/15/86/46/398158646.db2.gz CQPBTQYRQVRPJF-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902383 349495926 /nfs/dbraw/zinc/49/59/26/349495926.db2.gz UHBNREILEZWOTA-AAEUAGOBSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902386 349496005 /nfs/dbraw/zinc/49/60/05/349496005.db2.gz UHBNREILEZWOTA-WCQYABFASA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000335035992 136214675 /nfs/dbraw/zinc/21/46/75/136214675.db2.gz GNJTUMVDNWXLBN-MNOVXSKESA-N 2 1 227.352 0.380 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1C ZINC000649333344 398149649 /nfs/dbraw/zinc/14/96/49/398149649.db2.gz NQNHGZLCUPKNKP-KKJSVHSVSA-N 2 1 237.347 0.051 20 0 BCADMP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000649334015 398149943 /nfs/dbraw/zinc/14/99/43/398149943.db2.gz BUBCGYQYPHAIDP-RTXFEEFZSA-N 2 1 249.358 0.434 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341525 398157572 /nfs/dbraw/zinc/15/75/72/398157572.db2.gz DKZSJFLXDQPWSM-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000649340931 398157933 /nfs/dbraw/zinc/15/79/33/398157933.db2.gz AXKMUMQEDFZDRL-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@@H+](CCn1ccnc1)CCN1CCOCC1 ZINC000161822331 349509440 /nfs/dbraw/zinc/50/94/40/349509440.db2.gz HTSVMIFFSKQXSG-UHFFFAOYSA-N 2 1 238.335 0.147 20 0 BCADMP C[N@@H+](CCC[NH3+])CCOC[C@H]1CCCO1 ZINC000390429440 398173458 /nfs/dbraw/zinc/17/34/58/398173458.db2.gz OHXFHJHDDHWNSO-LLVKDONJSA-N 2 1 216.325 0.463 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000379964725 398175999 /nfs/dbraw/zinc/17/59/99/398175999.db2.gz HAZIPLHUQLWAIA-KOLCDFICSA-N 2 1 208.309 0.621 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000584239838 398184102 /nfs/dbraw/zinc/18/41/02/398184102.db2.gz OBJNYIFUQMIBFD-KOLCDFICSA-N 2 1 226.324 0.373 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348467 398162303 /nfs/dbraw/zinc/16/23/03/398162303.db2.gz LRDKJXYBIUMOGJ-WSLQDRLSSA-N 2 1 249.358 0.051 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348652 398162368 /nfs/dbraw/zinc/16/23/68/398162368.db2.gz PXGIMJUDZMXHSG-AOBWVBKOSA-N 2 1 249.358 0.336 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1C1CC1 ZINC000649348481 398162546 /nfs/dbraw/zinc/16/25/46/398162546.db2.gz MBUJQNJZNPJONZ-DTPMLBFTSA-N 2 1 249.358 0.193 20 0 BCADMP c1ncn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000385812780 398189479 /nfs/dbraw/zinc/18/94/79/398189479.db2.gz ZOHRWSPHWXQPFA-OLZOCXBDSA-N 2 1 249.362 0.742 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000385812780 398189483 /nfs/dbraw/zinc/18/94/83/398189483.db2.gz ZOHRWSPHWXQPFA-OLZOCXBDSA-N 2 1 249.362 0.742 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000576237577 365532717 /nfs/dbraw/zinc/53/27/17/365532717.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000576237577 365532726 /nfs/dbraw/zinc/53/27/26/365532726.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000576237577 365532732 /nfs/dbraw/zinc/53/27/32/365532732.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446396496 398204511 /nfs/dbraw/zinc/20/45/11/398204511.db2.gz KCOBAGYGJZXEGU-GHMZBOCLSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000386661370 398214019 /nfs/dbraw/zinc/21/40/19/398214019.db2.gz SRVBXBCBSHDOAI-SDDRHHMPSA-N 2 1 209.337 0.232 20 0 BCADMP COC[C@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000576339504 365569251 /nfs/dbraw/zinc/56/92/51/365569251.db2.gz AMQYZYNTDKJHKL-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C)C[NH3+] ZINC000576343469 365570550 /nfs/dbraw/zinc/57/05/50/365570550.db2.gz SIKVOPNZQKBDDN-JTQLQIEISA-N 2 1 238.335 0.635 20 0 BCADMP CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000649412602 398215023 /nfs/dbraw/zinc/21/50/23/398215023.db2.gz WWIDQCBKOCXMSE-DGCLKSJQSA-N 2 1 223.364 0.764 20 0 BCADMP [NH3+]C[C@H]([NH2+]CCn1cncn1)C1CCCCC1 ZINC000649420218 398219388 /nfs/dbraw/zinc/21/93/88/398219388.db2.gz PXXDRUXCUNDSKQ-LBPRGKRZSA-N 2 1 237.351 0.775 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000576330501 365566965 /nfs/dbraw/zinc/56/69/65/365566965.db2.gz YDNFEDVEVKAGEA-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP c1[nH]nc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc12 ZINC000576447882 365596664 /nfs/dbraw/zinc/59/66/64/365596664.db2.gz LJINJCVHWKCMBU-PJXYFTJBSA-N 2 1 228.299 0.870 20 0 BCADMP CN(CCC[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000343497916 365599481 /nfs/dbraw/zinc/59/94/81/365599481.db2.gz XJIJDVLFQCUDEL-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CCC[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000343497916 365599483 /nfs/dbraw/zinc/59/94/83/365599483.db2.gz XJIJDVLFQCUDEL-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CCC[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000343497916 365599486 /nfs/dbraw/zinc/59/94/86/365599486.db2.gz XJIJDVLFQCUDEL-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000386841603 398221198 /nfs/dbraw/zinc/22/11/98/398221198.db2.gz AZNNXYOLZSAROI-VHSXEESVSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CCN1CCOCC1)C1CC1 ZINC000430558304 398227723 /nfs/dbraw/zinc/22/77/23/398227723.db2.gz PVDBSOFPFCOXOW-LBPRGKRZSA-N 2 1 227.352 0.036 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529999 488175652 /nfs/dbraw/zinc/17/56/52/488175652.db2.gz XFFAZMUCYDEWBM-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000576475414 365606476 /nfs/dbraw/zinc/60/64/76/365606476.db2.gz CXDOKPIRPDBRGQ-UPJWGTAASA-N 2 1 243.395 0.323 20 0 BCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1 ZINC000576585236 365632448 /nfs/dbraw/zinc/63/24/48/365632448.db2.gz RWZQQEFOLJKXHV-UWVGGRQHSA-N 2 1 243.376 0.297 20 0 BCADMP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417630153 398245630 /nfs/dbraw/zinc/24/56/30/398245630.db2.gz TUWJWXGNYACUDI-SNVBAGLBSA-N 2 1 242.367 0.235 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399654587 262841997 /nfs/dbraw/zinc/84/19/97/262841997.db2.gz NZMMKZAVNGTHKS-NEPJUHHUSA-N 2 1 241.379 0.770 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000381410659 398253748 /nfs/dbraw/zinc/25/37/48/398253748.db2.gz UIPJFKRIAUBZTC-RYUDHWBXSA-N 2 1 210.321 0.708 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000381356867 398253832 /nfs/dbraw/zinc/25/38/32/398253832.db2.gz CXQWLLYZUWZFTN-SNVBAGLBSA-N 2 1 215.341 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000381356867 398253837 /nfs/dbraw/zinc/25/38/37/398253837.db2.gz CXQWLLYZUWZFTN-SNVBAGLBSA-N 2 1 215.341 0.522 20 0 BCADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000168835687 538945390 /nfs/dbraw/zinc/94/53/90/538945390.db2.gz JDWOZFITACMYCV-NWDGAFQWSA-N 2 1 224.348 0.975 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC(F)(F)C[NH3+] ZINC000576714119 365656892 /nfs/dbraw/zinc/65/68/92/365656892.db2.gz NPTCUONYCMDLGC-YUMQZZPRSA-N 2 1 235.278 0.309 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000576700315 365661189 /nfs/dbraw/zinc/66/11/89/365661189.db2.gz GOHSNVHMERWDED-JTQLQIEISA-N 2 1 225.336 0.183 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381603465 398254373 /nfs/dbraw/zinc/25/43/73/398254373.db2.gz OVTDLFWDNXOODW-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CCC[C@]1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCOC1 ZINC000378841471 346842796 /nfs/dbraw/zinc/84/27/96/346842796.db2.gz PJALDXIGLNJGDW-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925560 398274198 /nfs/dbraw/zinc/27/41/98/398274198.db2.gz LPKCEHZERVMQOS-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CCC[NH2+]CCNC(=O)N1CC[NH+](CC)CC1 ZINC000418486175 192041171 /nfs/dbraw/zinc/04/11/71/192041171.db2.gz FSCWTGZXKFHQNZ-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000165283011 361838205 /nfs/dbraw/zinc/83/82/05/361838205.db2.gz SEKHVCHGISJFOL-UTLUCORTSA-N 2 1 213.325 0.038 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)CO)C1 ZINC000678043379 488179061 /nfs/dbraw/zinc/17/90/61/488179061.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678043379 488179062 /nfs/dbraw/zinc/17/90/62/488179062.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678043379 488179064 /nfs/dbraw/zinc/17/90/64/488179064.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000082645655 398277183 /nfs/dbraw/zinc/27/71/83/398277183.db2.gz IDHRUXMAQICBRB-SNVBAGLBSA-N 2 1 228.336 0.869 20 0 BCADMP CN(C)C1(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000616383960 342747878 /nfs/dbraw/zinc/74/78/78/342747878.db2.gz IZLWFJRAUXNHGC-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1([NH+](C)C)CC1 ZINC000616383960 342747879 /nfs/dbraw/zinc/74/78/79/342747879.db2.gz IZLWFJRAUXNHGC-NSHDSACASA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(C)CC1 ZINC000167428841 361865603 /nfs/dbraw/zinc/86/56/03/361865603.db2.gz VUGLBZSEMZHWBO-NXEZZACHSA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1CCC[NH+](C)CC1 ZINC000649481882 398279564 /nfs/dbraw/zinc/27/95/64/398279564.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CCC[N@H+](C)CC1 ZINC000649481882 398279567 /nfs/dbraw/zinc/27/95/67/398279567.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CCC[N@@H+](C)CC1 ZINC000649481882 398279571 /nfs/dbraw/zinc/27/95/71/398279571.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000583935381 342728647 /nfs/dbraw/zinc/72/86/47/342728647.db2.gz JWTXXJWHJGQFRK-LLVKDONJSA-N 2 1 237.303 0.112 20 0 BCADMP C[N@@H+](CC(=O)N1CCc2[nH]cnc2C1)C1CCC1 ZINC000629995251 361882800 /nfs/dbraw/zinc/88/28/00/361882800.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 1 248.330 0.779 20 0 BCADMP C[N@H+](CC(=O)N1CCc2nc[nH]c2C1)C1CCC1 ZINC000629995251 361882807 /nfs/dbraw/zinc/88/28/07/361882807.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 1 248.330 0.779 20 0 BCADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH+](C)C ZINC000630006126 361897101 /nfs/dbraw/zinc/89/71/01/361897101.db2.gz FHQVSBNXKSEBEA-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000418509037 192044830 /nfs/dbraw/zinc/04/48/30/192044830.db2.gz ATXJBCXALGQJGT-GMTAPVOTSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000418509042 192045008 /nfs/dbraw/zinc/04/50/08/192045008.db2.gz ATXJBCXALGQJGT-VWYCJHECSA-N 2 1 242.367 0.458 20 0 BCADMP C[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671731 538972494 /nfs/dbraw/zinc/97/24/94/538972494.db2.gz ZPJGYCCPEXTOAO-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP C[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671731 538972495 /nfs/dbraw/zinc/97/24/95/538972495.db2.gz ZPJGYCCPEXTOAO-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418513915 192045363 /nfs/dbraw/zinc/04/53/63/192045363.db2.gz ALCWRLPUPDUSOL-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000336471197 342806476 /nfs/dbraw/zinc/80/64/76/342806476.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000336471197 342806477 /nfs/dbraw/zinc/80/64/77/342806477.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000336471197 342806479 /nfs/dbraw/zinc/80/64/79/342806479.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000191895279 538993248 /nfs/dbraw/zinc/99/32/48/538993248.db2.gz FPABELPOAZCBPY-STQMWFEESA-N 2 1 246.395 0.782 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000189323748 538981858 /nfs/dbraw/zinc/98/18/58/538981858.db2.gz JGVRPWHQPHMUKD-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418519161 192047208 /nfs/dbraw/zinc/04/72/08/192047208.db2.gz ZYOAMKYPIGJGKQ-BBBLOLIVSA-N 2 1 228.340 0.068 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417816690 398293757 /nfs/dbraw/zinc/29/37/57/398293757.db2.gz QPFQJIPYNOCNOU-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP C[N@@H+](CCC[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000036925710 398297248 /nfs/dbraw/zinc/29/72/48/398297248.db2.gz FXYDHIAIGQEIHQ-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000082425215 259323264 /nfs/dbraw/zinc/32/32/64/259323264.db2.gz NJEDZLFHTZHPLT-GHMZBOCLSA-N 2 1 203.289 0.733 20 0 BCADMP C[C@H]1C[C@@H]1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000625081968 342850002 /nfs/dbraw/zinc/85/00/02/342850002.db2.gz VSCGNDLBOUHEJB-NWDGAFQWSA-N 2 1 239.363 0.348 20 0 BCADMP CC[N@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C(C)C ZINC000167204077 136244604 /nfs/dbraw/zinc/24/46/04/136244604.db2.gz FORIULFKVVDDCL-SNVBAGLBSA-N 2 1 245.392 0.495 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C(C)C ZINC000167204077 136244605 /nfs/dbraw/zinc/24/46/05/136244605.db2.gz FORIULFKVVDDCL-SNVBAGLBSA-N 2 1 245.392 0.495 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])C(C)C)C1CC1 ZINC000167204785 136244997 /nfs/dbraw/zinc/24/49/97/136244997.db2.gz ZXSBTWOPQARGCI-LLVKDONJSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000062065761 398314897 /nfs/dbraw/zinc/31/48/97/398314897.db2.gz KTIHIYWDPQLLQP-CYBMUJFWSA-N 2 1 249.358 0.967 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418573050 192052380 /nfs/dbraw/zinc/05/23/80/192052380.db2.gz UALLTRSSVMGRQW-QWRGUYRKSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485373 398329045 /nfs/dbraw/zinc/32/90/45/398329045.db2.gz FXZBNNDWKTWROK-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037476564 398330488 /nfs/dbraw/zinc/33/04/88/398330488.db2.gz RFVZFHMYSPLBAE-HBNTYKKESA-N 2 1 225.336 0.467 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CC(C2CC2)C1)C1CC1 ZINC000642924419 398336727 /nfs/dbraw/zinc/33/67/27/398336727.db2.gz OLVNRUNEFKFMLF-CYBMUJFWSA-N 2 1 224.348 0.783 20 0 BCADMP CN(C[C@@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924419 398336728 /nfs/dbraw/zinc/33/67/28/398336728.db2.gz OLVNRUNEFKFMLF-CYBMUJFWSA-N 2 1 224.348 0.783 20 0 BCADMP CN(C)C(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000037503197 342937961 /nfs/dbraw/zinc/93/79/61/342937961.db2.gz LZQKNZHEHIAPKL-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH+](C)CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000392804356 398335403 /nfs/dbraw/zinc/33/54/03/398335403.db2.gz AXSJWSJOJXGIEP-LLVKDONJSA-N 2 1 247.342 0.712 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351811193 136254514 /nfs/dbraw/zinc/25/45/14/136254514.db2.gz BBGBCPATYXHTHY-PWSUYJOCSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351811193 136254515 /nfs/dbraw/zinc/25/45/15/136254515.db2.gz BBGBCPATYXHTHY-PWSUYJOCSA-N 2 1 223.320 0.894 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503551 346903474 /nfs/dbraw/zinc/90/34/74/346903474.db2.gz GHTHKXZUQYQZOI-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCN(C(=O)CN2CC[C@](C)(F)C2)CC1 ZINC000335901148 136259089 /nfs/dbraw/zinc/25/90/89/136259089.db2.gz NJKDVDVCNCDXIP-LBPRGKRZSA-N 2 1 243.326 0.194 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309398494 259343183 /nfs/dbraw/zinc/34/31/83/259343183.db2.gz ITFMQTRYNWVYCD-ZYHUDNBSSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309398494 259343185 /nfs/dbraw/zinc/34/31/85/259343185.db2.gz ITFMQTRYNWVYCD-ZYHUDNBSSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH2+]C1CC1 ZINC000235447395 343038025 /nfs/dbraw/zinc/03/80/25/343038025.db2.gz RMMZUSWDORJPAM-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH2+]C1CC1 ZINC000235447395 343038026 /nfs/dbraw/zinc/03/80/26/343038026.db2.gz RMMZUSWDORJPAM-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP CCOC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877964 349790151 /nfs/dbraw/zinc/79/01/51/349790151.db2.gz MSMXKJRYPFVIEW-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP CCOC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877964 349790155 /nfs/dbraw/zinc/79/01/55/349790155.db2.gz MSMXKJRYPFVIEW-UHFFFAOYSA-N 2 1 240.347 0.967 20 0 BCADMP C[C@@H](CO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314614389 259345781 /nfs/dbraw/zinc/34/57/81/259345781.db2.gz RAKMZSFAUXHEMJ-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP C[C@@H](CO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314614389 259345782 /nfs/dbraw/zinc/34/57/82/259345782.db2.gz RAKMZSFAUXHEMJ-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP C[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000386623771 343084195 /nfs/dbraw/zinc/08/41/95/343084195.db2.gz YPQLMEGKRWJLMD-ZJUUUORDSA-N 2 1 227.352 0.618 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565225991 323034527 /nfs/dbraw/zinc/03/45/27/323034527.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 3 1 241.379 0.522 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778926 343125713 /nfs/dbraw/zinc/12/57/13/343125713.db2.gz IMKVQKUGBBHIJA-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP CC[C@H](O)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000576936168 365725763 /nfs/dbraw/zinc/72/57/63/365725763.db2.gz DBOBDKKDWXQMTN-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000148070083 343196211 /nfs/dbraw/zinc/19/62/11/343196211.db2.gz WZRWVNJSNBQBJM-NSHDSACASA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000168558451 343210484 /nfs/dbraw/zinc/21/04/84/343210484.db2.gz ODKKJJWPPUYQQK-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP Cn1cc(CC[N@@H+](C)CCCn2ccnc2)nn1 ZINC000625275565 343215388 /nfs/dbraw/zinc/21/53/88/343215388.db2.gz YRQIHZHAWWEZOH-UHFFFAOYSA-N 2 1 248.334 0.576 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCC(=O)OC ZINC000087471986 136281479 /nfs/dbraw/zinc/28/14/79/136281479.db2.gz MMTTWWGWOZAPAE-UHFFFAOYSA-N 2 1 202.298 0.481 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418697239 192061595 /nfs/dbraw/zinc/06/15/95/192061595.db2.gz LPYFCIBDCWRFRC-YTWAJWBKSA-N 2 1 242.367 0.456 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091216 136284306 /nfs/dbraw/zinc/28/43/06/136284306.db2.gz SXHIALZJKHAQMU-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091218 136284330 /nfs/dbraw/zinc/28/43/30/136284330.db2.gz SXHIALZJKHAQMU-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO)CC[C@@H]21 ZINC000088091291 136284398 /nfs/dbraw/zinc/28/43/98/136284398.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC000088091291 136284399 /nfs/dbraw/zinc/28/43/99/136284399.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC000088091291 136284400 /nfs/dbraw/zinc/28/44/00/136284400.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP Cn1nccc1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000634687888 343245335 /nfs/dbraw/zinc/24/53/35/343245335.db2.gz BWTAFXRSWQBTAH-UHFFFAOYSA-N 2 1 210.325 0.632 20 0 BCADMP Cn1nccc1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000634687888 343245338 /nfs/dbraw/zinc/24/53/38/343245338.db2.gz BWTAFXRSWQBTAH-UHFFFAOYSA-N 2 1 210.325 0.632 20 0 BCADMP C[C@@H]1CC[C@H](C[NH+]2CCC([NH2+]CCO)CC2)O1 ZINC000634688535 343248951 /nfs/dbraw/zinc/24/89/51/343248951.db2.gz VUXJBJRJYJXVQV-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000634688587 343249071 /nfs/dbraw/zinc/24/90/71/343249071.db2.gz XAZAZEZELMXZQU-NWDGAFQWSA-N 2 1 230.352 0.722 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613223 136295766 /nfs/dbraw/zinc/29/57/66/136295766.db2.gz TWICHOCDOZZTIA-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373561 343316695 /nfs/dbraw/zinc/31/66/95/343316695.db2.gz KUWWGSKRVVDUBZ-XQQFMLRXSA-N 2 1 244.379 0.249 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210624 136305397 /nfs/dbraw/zinc/30/53/97/136305397.db2.gz YVQCNCRSEFLWSZ-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000166210624 136305398 /nfs/dbraw/zinc/30/53/98/136305398.db2.gz YVQCNCRSEFLWSZ-VHSXEESVSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000037154794 343336955 /nfs/dbraw/zinc/33/69/55/343336955.db2.gz MOUJCRUWMGJRIR-NSHDSACASA-N 2 1 222.336 0.955 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000070831721 343341306 /nfs/dbraw/zinc/34/13/06/343341306.db2.gz IVJSKILOIPFQBO-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CC1(C)C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482601 343347007 /nfs/dbraw/zinc/34/70/07/343347007.db2.gz CMIBMDPSKROBND-UHFFFAOYSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335648360 136304306 /nfs/dbraw/zinc/30/43/06/136304306.db2.gz GDNFYBRURYNSIX-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218361 136309940 /nfs/dbraw/zinc/30/99/40/136309940.db2.gz BYKMXAFJLMYUNQ-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218361 136309941 /nfs/dbraw/zinc/30/99/41/136309941.db2.gz BYKMXAFJLMYUNQ-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218240 136309958 /nfs/dbraw/zinc/30/99/58/136309958.db2.gz BYKMXAFJLMYUNQ-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218240 136309959 /nfs/dbraw/zinc/30/99/59/136309959.db2.gz BYKMXAFJLMYUNQ-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000040624525 343407936 /nfs/dbraw/zinc/40/79/36/343407936.db2.gz SVKFRZZPTLHQFQ-NSHDSACASA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000310292747 343419411 /nfs/dbraw/zinc/41/94/11/343419411.db2.gz RVPOAMMJNNKJNS-AVGNSLFASA-N 2 1 246.395 0.950 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000310292747 343419412 /nfs/dbraw/zinc/41/94/12/343419412.db2.gz RVPOAMMJNNKJNS-AVGNSLFASA-N 2 1 246.395 0.950 20 0 BCADMP Cn1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000042489389 343440112 /nfs/dbraw/zinc/44/01/12/343440112.db2.gz UCOQUFXIESLYMO-UHFFFAOYSA-N 2 1 222.336 0.852 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000310338973 343440460 /nfs/dbraw/zinc/44/04/60/343440460.db2.gz DJLYJRFMNLOQCZ-NEPJUHHUSA-N 2 1 246.395 0.950 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000310338973 343440461 /nfs/dbraw/zinc/44/04/61/343440461.db2.gz DJLYJRFMNLOQCZ-NEPJUHHUSA-N 2 1 246.395 0.950 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335718449 136340475 /nfs/dbraw/zinc/34/04/75/136340475.db2.gz JTWXPUXKMXZDHF-RYUDHWBXSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435783 /nfs/dbraw/zinc/43/57/83/343435783.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 2 1 242.363 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435785 /nfs/dbraw/zinc/43/57/85/343435785.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435788 /nfs/dbraw/zinc/43/57/88/343435788.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 2 1 242.363 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435791 /nfs/dbraw/zinc/43/57/91/343435791.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 2 1 242.363 0.002 20 0 BCADMP CC1=CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000335850224 136355312 /nfs/dbraw/zinc/35/53/12/136355312.db2.gz ASXHTAQEHSGWKS-UHFFFAOYSA-N 2 1 237.347 0.412 20 0 BCADMP CC1=CCCN(CC(=O)N2CCN(C)CC2)C1 ZINC000335850224 136355313 /nfs/dbraw/zinc/35/53/13/136355313.db2.gz ASXHTAQEHSGWKS-UHFFFAOYSA-N 2 1 237.347 0.412 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCc1nccs1 ZINC000580552062 365758824 /nfs/dbraw/zinc/75/88/24/365758824.db2.gz NBXZTSCLWVDVHR-UHFFFAOYSA-N 2 1 229.349 0.593 20 0 BCADMP CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)C[N@@H+](C)CC ZINC000310564996 343537913 /nfs/dbraw/zinc/53/79/13/343537913.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 1 244.379 0.798 20 0 BCADMP Cn1ccnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404164 343618831 /nfs/dbraw/zinc/61/88/31/343618831.db2.gz KDKDMLXJPYVIHF-ZJUUUORDSA-N 2 1 208.309 0.780 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399176384 488227600 /nfs/dbraw/zinc/22/76/00/488227600.db2.gz BFAJPQSIWDXKKK-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000087790636 343660983 /nfs/dbraw/zinc/66/09/83/343660983.db2.gz LIEJHBQVLPXUDY-UTUOFQBUSA-N 2 1 210.321 0.990 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261563375 349850653 /nfs/dbraw/zinc/85/06/53/349850653.db2.gz BUSXAUUSPSUJSC-BBBLOLIVSA-N 2 1 213.325 0.275 20 0 BCADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222658514 343710147 /nfs/dbraw/zinc/71/01/47/343710147.db2.gz CDZUWLFFGWQXFW-DCAQKATOSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418733000 192064832 /nfs/dbraw/zinc/06/48/32/192064832.db2.gz UZHFOIAZHWQZDB-UWVGGRQHSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CC1CC1 ZINC000570407465 323058819 /nfs/dbraw/zinc/05/88/19/323058819.db2.gz CEKCSBQOEYEEMO-LBPRGKRZSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)CC1CC1 ZINC000570407465 323058820 /nfs/dbraw/zinc/05/88/20/323058820.db2.gz CEKCSBQOEYEEMO-LBPRGKRZSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CCO)CC1CC1 ZINC000570407465 323058821 /nfs/dbraw/zinc/05/88/21/323058821.db2.gz CEKCSBQOEYEEMO-LBPRGKRZSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)CC1CC1 ZINC000570407465 323058822 /nfs/dbraw/zinc/05/88/22/323058822.db2.gz CEKCSBQOEYEEMO-LBPRGKRZSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCCCO ZINC000381033385 343776073 /nfs/dbraw/zinc/77/60/73/343776073.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCCO ZINC000381033385 343776076 /nfs/dbraw/zinc/77/60/76/343776076.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCCCO ZINC000381033385 343776077 /nfs/dbraw/zinc/77/60/77/343776077.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCCO ZINC000381033385 343776079 /nfs/dbraw/zinc/77/60/79/343776079.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCCCO ZINC000381033387 343776096 /nfs/dbraw/zinc/77/60/96/343776096.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCCCO ZINC000381033387 343776099 /nfs/dbraw/zinc/77/60/99/343776099.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCCCO ZINC000381033387 343776100 /nfs/dbraw/zinc/77/61/00/343776100.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCCCO ZINC000381033387 343776102 /nfs/dbraw/zinc/77/61/02/343776102.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 2 1 232.368 0.393 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000187878447 259370336 /nfs/dbraw/zinc/37/03/36/259370336.db2.gz KCVJEVZXPYOACM-QWRGUYRKSA-N 2 1 232.393 0.594 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135292 537810540 /nfs/dbraw/zinc/81/05/40/537810540.db2.gz XIDLQNMHUXSTNO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135292 537810545 /nfs/dbraw/zinc/81/05/45/537810545.db2.gz XIDLQNMHUXSTNO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248135292 537810549 /nfs/dbraw/zinc/81/05/49/537810549.db2.gz XIDLQNMHUXSTNO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CNC(=O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248135292 537810555 /nfs/dbraw/zinc/81/05/55/537810555.db2.gz XIDLQNMHUXSTNO-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP COCC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1C ZINC000309241192 347000995 /nfs/dbraw/zinc/00/09/95/347000995.db2.gz KULPNJVNAVGOFU-LLVKDONJSA-N 2 1 227.308 0.131 20 0 BCADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1C ZINC000309241192 347000996 /nfs/dbraw/zinc/00/09/96/347000996.db2.gz KULPNJVNAVGOFU-LLVKDONJSA-N 2 1 227.308 0.131 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH3+])C1CCCCC1 ZINC000165007122 529913001 /nfs/dbraw/zinc/91/30/01/529913001.db2.gz CAJZUAMYLYVIHH-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381053819 343913559 /nfs/dbraw/zinc/91/35/59/343913559.db2.gz IQYMQJCUQQFPKL-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP C[C@H](O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381053819 343913561 /nfs/dbraw/zinc/91/35/61/343913561.db2.gz IQYMQJCUQQFPKL-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP Cn1c[nH+]cc1CCn1cc(CCCC[NH3+])nn1 ZINC000641173085 362252916 /nfs/dbraw/zinc/25/29/16/362252916.db2.gz JVZYLIHBZMXTGN-UHFFFAOYSA-N 2 1 248.334 0.536 20 0 BCADMP CC(C)[C@@H]([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641173036 362253300 /nfs/dbraw/zinc/25/33/00/362253300.db2.gz IMVALRRGOMITFF-GFCCVEGCSA-N 2 1 248.334 0.910 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000381063515 343924914 /nfs/dbraw/zinc/92/49/14/343924914.db2.gz LWBHNMZSBUWMEY-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](CCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381070513 343932794 /nfs/dbraw/zinc/93/27/94/343932794.db2.gz ODIMCRQERBDLPT-ZYHUDNBSSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381070513 343932796 /nfs/dbraw/zinc/93/27/96/343932796.db2.gz ODIMCRQERBDLPT-ZYHUDNBSSA-N 2 1 230.352 0.050 20 0 BCADMP CCC[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634724475 343932853 /nfs/dbraw/zinc/93/28/53/343932853.db2.gz QXHTVYNPXCXNRD-YPMHNXCESA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724475 343932855 /nfs/dbraw/zinc/93/28/55/343932855.db2.gz QXHTVYNPXCXNRD-YPMHNXCESA-N 2 1 244.379 0.582 20 0 BCADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000570685299 323067036 /nfs/dbraw/zinc/06/70/36/323067036.db2.gz RWZQQEFOLJKXHV-NXEZZACHSA-N 2 1 243.376 0.297 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625789987 344077362 /nfs/dbraw/zinc/07/73/62/344077362.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625789987 344077363 /nfs/dbraw/zinc/07/73/63/344077363.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625789987 344077365 /nfs/dbraw/zinc/07/73/65/344077365.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 2 1 244.379 0.656 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625789987 344077369 /nfs/dbraw/zinc/07/73/69/344077369.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H](O)C[NH+](C)CCCC[N@H+](C)C[C@@H](C)O ZINC000156308184 344128670 /nfs/dbraw/zinc/12/86/70/344128670.db2.gz COYLCAQQGHSRDZ-VXGBXAGGSA-N 2 1 232.368 0.392 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000130409691 344137276 /nfs/dbraw/zinc/13/72/76/344137276.db2.gz RUWMINDQTYSSCP-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000130604195 344150558 /nfs/dbraw/zinc/15/05/58/344150558.db2.gz MFJJBKSXMMPTFK-ATZCPNFKSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]1CN(CC[NH+]2CCC([NH3+])CC2)CCO1 ZINC000086206317 344212892 /nfs/dbraw/zinc/21/28/92/344212892.db2.gz JTEVQILVCVQRBX-LLVKDONJSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCC([NH3+])CC2)CCO1 ZINC000086206317 344212894 /nfs/dbraw/zinc/21/28/94/344212894.db2.gz JTEVQILVCVQRBX-LLVKDONJSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCC([NH3+])CC2)CCO1 ZINC000086206317 344212896 /nfs/dbraw/zinc/21/28/96/344212896.db2.gz JTEVQILVCVQRBX-LLVKDONJSA-N 2 1 227.352 0.130 20 0 BCADMP CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000622044292 344227870 /nfs/dbraw/zinc/22/78/70/344227870.db2.gz AAWKBNMKUIBDPA-UPJWGTAASA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])CC[N@H+]1C ZINC000132972560 344310438 /nfs/dbraw/zinc/31/04/38/344310438.db2.gz AITRGLNQLWBZBM-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP COC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072035 344325371 /nfs/dbraw/zinc/32/53/71/344325371.db2.gz KRAPLAYXPJAWTO-SNVBAGLBSA-N 2 1 244.335 0.378 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000600706306 344360362 /nfs/dbraw/zinc/36/03/62/344360362.db2.gz UEZKHXYKBLCNQS-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000600712256 344361815 /nfs/dbraw/zinc/36/18/15/344361815.db2.gz VIGKRIRPRSMKHO-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000600712256 344361816 /nfs/dbraw/zinc/36/18/16/344361816.db2.gz VIGKRIRPRSMKHO-UWVGGRQHSA-N 2 1 214.309 0.751 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000600947418 344400819 /nfs/dbraw/zinc/40/08/19/344400819.db2.gz SVACIBAQXWMPHK-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCC2)C1 ZINC000336760203 537846012 /nfs/dbraw/zinc/84/60/12/537846012.db2.gz LPGDQBLOOLFTEG-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP Cc1c[nH]c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)n1 ZINC000628291867 347051966 /nfs/dbraw/zinc/05/19/66/347051966.db2.gz YDELSNOARHYGCG-MNOVXSKESA-N 2 1 220.320 0.854 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCC2)C1 ZINC000336760203 537846021 /nfs/dbraw/zinc/84/60/21/537846021.db2.gz LPGDQBLOOLFTEG-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C ZINC000043599881 344529588 /nfs/dbraw/zinc/52/95/88/344529588.db2.gz SUQHYKPQUBMBPG-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152415919 344552106 /nfs/dbraw/zinc/55/21/06/344552106.db2.gz KJFBOWSXMIOWOE-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152415919 344552108 /nfs/dbraw/zinc/55/21/08/344552108.db2.gz KJFBOWSXMIOWOE-TUAOUCFPSA-N 2 1 239.363 0.537 20 0 BCADMP O=C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812580 344590751 /nfs/dbraw/zinc/59/07/51/344590751.db2.gz AYEYRUHJTMUZHD-VXGBXAGGSA-N 2 1 237.347 0.293 20 0 BCADMP COC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152479861 344577241 /nfs/dbraw/zinc/57/72/41/344577241.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152479861 344577243 /nfs/dbraw/zinc/57/72/43/344577243.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP COC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152479861 344577244 /nfs/dbraw/zinc/57/72/44/344577244.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641427470 362412007 /nfs/dbraw/zinc/41/20/07/362412007.db2.gz ZOOHFCWZSYFQJU-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237066845 344587721 /nfs/dbraw/zinc/58/77/21/344587721.db2.gz DSTPJKKAPQZGJW-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641425951 362412669 /nfs/dbraw/zinc/41/26/69/362412669.db2.gz QZZMPQHUESBCFV-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP FCC[C@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000626004152 344666158 /nfs/dbraw/zinc/66/61/58/344666158.db2.gz ADRCXEBTLIRQHR-NSHDSACASA-N 2 1 227.283 0.944 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625976038 344639577 /nfs/dbraw/zinc/63/95/77/344639577.db2.gz LUOMBPFZRSJAHJ-LBELIVKGSA-N 2 1 244.379 0.701 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625976038 344639581 /nfs/dbraw/zinc/63/95/81/344639581.db2.gz LUOMBPFZRSJAHJ-LBELIVKGSA-N 2 1 244.379 0.701 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661766645 537855200 /nfs/dbraw/zinc/85/52/00/537855200.db2.gz GZULAGINDAJTPB-KGYLQXTDSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661766645 537855205 /nfs/dbraw/zinc/85/52/05/537855205.db2.gz GZULAGINDAJTPB-KGYLQXTDSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H](O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661766645 537855210 /nfs/dbraw/zinc/85/52/10/537855210.db2.gz GZULAGINDAJTPB-KGYLQXTDSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H](O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661766645 537855216 /nfs/dbraw/zinc/85/52/16/537855216.db2.gz GZULAGINDAJTPB-KGYLQXTDSA-N 2 1 242.363 0.287 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046460 344697209 /nfs/dbraw/zinc/69/72/09/344697209.db2.gz DJXPHIPNIYKVPY-XQQFMLRXSA-N 2 1 244.379 0.390 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCOCC2)C1 ZINC000153900809 344998467 /nfs/dbraw/zinc/99/84/67/344998467.db2.gz KBEBHGXFKRDLLB-LBPRGKRZSA-N 2 1 242.363 0.411 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000634991896 345178918 /nfs/dbraw/zinc/17/89/18/345178918.db2.gz VRHBXWGRQHSTFT-SDDRHHMPSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000634991896 345178922 /nfs/dbraw/zinc/17/89/22/345178922.db2.gz VRHBXWGRQHSTFT-SDDRHHMPSA-N 3 1 213.369 0.886 20 0 BCADMP C([N@@H+]1CC[C@@H]2COC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996799 345182035 /nfs/dbraw/zinc/18/20/35/345182035.db2.gz VQONNBKAPIHGEZ-QBHFIFKDSA-N 2 1 222.332 0.707 20 0 BCADMP C([N@H+]1CC[C@@H]2COC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996799 345182038 /nfs/dbraw/zinc/18/20/38/345182038.db2.gz VQONNBKAPIHGEZ-QBHFIFKDSA-N 2 1 222.332 0.707 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000634995747 345185172 /nfs/dbraw/zinc/18/51/72/345185172.db2.gz NRJJWCLRTCHLGZ-WOPDTQHZSA-N 3 1 213.369 0.947 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000634995899 345185784 /nfs/dbraw/zinc/18/57/84/345185784.db2.gz SDSDNZQHODGUQS-VXGBXAGGSA-N 3 1 229.368 0.185 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000634993623 345191198 /nfs/dbraw/zinc/19/11/98/345191198.db2.gz ACCDODDUUNSYHZ-VXGBXAGGSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000634993623 345191200 /nfs/dbraw/zinc/19/12/00/345191200.db2.gz ACCDODDUUNSYHZ-VXGBXAGGSA-N 3 1 213.369 0.888 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424756 345226548 /nfs/dbraw/zinc/22/65/48/345226548.db2.gz KGMQEKAFIZDBLW-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459438 537891469 /nfs/dbraw/zinc/89/14/69/537891469.db2.gz KBVOTZRKVWBDBI-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000635059636 345232723 /nfs/dbraw/zinc/23/27/23/345232723.db2.gz WZASCZUWIGSTEB-GHMZBOCLSA-N 2 1 248.330 0.677 20 0 BCADMP CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635059636 345232726 /nfs/dbraw/zinc/23/27/26/345232726.db2.gz WZASCZUWIGSTEB-GHMZBOCLSA-N 2 1 248.330 0.677 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635058962 345232828 /nfs/dbraw/zinc/23/28/28/345232828.db2.gz QUMBFZSARBJLPA-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C[NH3+])C(C)C ZINC000634996974 345193313 /nfs/dbraw/zinc/19/33/13/345193313.db2.gz AHINEHMBRBZNMM-LBPRGKRZSA-N 3 1 231.384 0.385 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CCOCC[NH3+] ZINC000634997332 345195235 /nfs/dbraw/zinc/19/52/35/345195235.db2.gz JGNZUENQMDUWSY-LLVKDONJSA-N 3 1 217.357 0.124 20 0 BCADMP CC1(C)OC[C@@H]2C[C@@]21[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634997710 345195266 /nfs/dbraw/zinc/19/52/66/345195266.db2.gz QYHDQVJNKFQQDJ-KQXCDPHESA-N 2 1 222.332 0.896 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998159 345197340 /nfs/dbraw/zinc/19/73/40/345197340.db2.gz BNXMHEJAHPRJBC-GXSJLCMTSA-N 2 1 222.336 0.755 20 0 BCADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000634999333 345199393 /nfs/dbraw/zinc/19/93/93/345199393.db2.gz SMLDDTCRWXXODD-ZYHUDNBSSA-N 2 1 210.321 0.860 20 0 BCADMP OC[C@]12CCC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634997920 345202756 /nfs/dbraw/zinc/20/27/56/345202756.db2.gz WESKFWOSMACEEY-YIFLHPOLSA-N 2 1 236.359 0.833 20 0 BCADMP OC[C@]12CCC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634997920 345202759 /nfs/dbraw/zinc/20/27/59/345202759.db2.gz WESKFWOSMACEEY-YIFLHPOLSA-N 2 1 236.359 0.833 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012806 345214890 /nfs/dbraw/zinc/21/48/90/345214890.db2.gz VPYVGTPXYFCXAV-CMPLNLGQSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131904619 345311319 /nfs/dbraw/zinc/31/13/19/345311319.db2.gz YVVKFKHTXLOPTN-OPRDCNLKSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000158550494 345347693 /nfs/dbraw/zinc/34/76/93/345347693.db2.gz NHOBNWLZICSKHF-GMTAPVOTSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179050636 534993798 /nfs/dbraw/zinc/99/37/98/534993798.db2.gz JRCNCWSJMJWWDY-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635422362 345358624 /nfs/dbraw/zinc/35/86/24/345358624.db2.gz LXQMPFTVTBNKOA-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP CNC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158636255 345358971 /nfs/dbraw/zinc/35/89/71/345358971.db2.gz DEUJFZIJLSHDON-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000133857400 345388813 /nfs/dbraw/zinc/38/88/13/345388813.db2.gz UPZXAUQVAHOLQQ-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000133857400 345388814 /nfs/dbraw/zinc/38/88/14/345388814.db2.gz UPZXAUQVAHOLQQ-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158643949 345359722 /nfs/dbraw/zinc/35/97/22/345359722.db2.gz RHHPFVFQRFJLCN-ZDUSSCGKSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000635420751 345360407 /nfs/dbraw/zinc/36/04/07/345360407.db2.gz HUSJSVJLVZPVPH-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158364278 345326858 /nfs/dbraw/zinc/32/68/58/345326858.db2.gz NFQDIYRTZKPSDR-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262595737 534996183 /nfs/dbraw/zinc/99/61/83/534996183.db2.gz UXTCTTJQLACCDZ-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP O[C@H]1CC[N@@H+](CCNc2ccncc2F)C1 ZINC000641680451 362602345 /nfs/dbraw/zinc/60/23/45/362602345.db2.gz QIZXZJVSNMPJLT-VIFPVBQESA-N 2 1 225.267 0.121 20 0 BCADMP O[C@H]1CCN(CCNc2ccncc2F)C1 ZINC000641680451 362602349 /nfs/dbraw/zinc/60/23/49/362602349.db2.gz QIZXZJVSNMPJLT-VIFPVBQESA-N 2 1 225.267 0.121 20 0 BCADMP FC1(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563135556 323094523 /nfs/dbraw/zinc/09/45/23/323094523.db2.gz MUDFTZVORSWNFJ-NSHDSACASA-N 2 1 227.327 0.468 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000563135155 323094666 /nfs/dbraw/zinc/09/46/66/323094666.db2.gz IELLHICJVMKEMB-UTUOFQBUSA-N 3 1 211.353 0.574 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635559832 345759486 /nfs/dbraw/zinc/75/94/86/345759486.db2.gz UCJRQWWMEVMMBQ-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]CCN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000149105753 345715425 /nfs/dbraw/zinc/71/54/25/345715425.db2.gz LSQOVDMITMQRIY-LBPRGKRZSA-N 2 1 227.352 0.132 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000563160309 323097413 /nfs/dbraw/zinc/09/74/13/323097413.db2.gz JLLMYQMDIYQLSH-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635641828 345914997 /nfs/dbraw/zinc/91/49/97/345914997.db2.gz XIMVAXPWXZUIBZ-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393983663 346018782 /nfs/dbraw/zinc/01/87/82/346018782.db2.gz VFMIMIPPFWPKEC-WDEREUQCSA-N 2 1 232.368 0.296 20 0 BCADMP C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635743518 346055152 /nfs/dbraw/zinc/05/51/52/346055152.db2.gz ICKFVGPKXVDKOO-NXEZZACHSA-N 2 1 234.303 0.286 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000635807571 346072622 /nfs/dbraw/zinc/07/26/22/346072622.db2.gz NVZNBNRCAFSEQJ-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929179 346111615 /nfs/dbraw/zinc/11/16/15/346111615.db2.gz RPXNQPDDBWLIOC-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636011957 346153232 /nfs/dbraw/zinc/15/32/32/346153232.db2.gz QNDJXWKHEWYULO-VXGBXAGGSA-N 2 1 241.379 0.878 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636013191 346154512 /nfs/dbraw/zinc/15/45/12/346154512.db2.gz UKIYXFQLVYRJOZ-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C(=O)N(C)Cc1cnc[nH]1)[NH+](C)C ZINC000636167294 346342746 /nfs/dbraw/zinc/34/27/46/346342746.db2.gz FXKOZXHEOLWISU-MRVPVSSYSA-N 2 1 210.281 0.318 20 0 BCADMP C[C@H](C(=O)N(C)Cc1c[nH]cn1)N(C)C ZINC000636167294 346342751 /nfs/dbraw/zinc/34/27/51/346342751.db2.gz FXKOZXHEOLWISU-MRVPVSSYSA-N 2 1 210.281 0.318 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+](C)C ZINC000636272576 346374415 /nfs/dbraw/zinc/37/44/15/346374415.db2.gz OHAAFXJUFMTZKD-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+]CCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069734025 349956403 /nfs/dbraw/zinc/95/64/03/349956403.db2.gz HLMFHPHRIWTKHC-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574924014 346414194 /nfs/dbraw/zinc/41/41/94/346414194.db2.gz OZPGDBKPGSAFMR-SECBINFHSA-N 2 1 247.289 0.323 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224045375 535044255 /nfs/dbraw/zinc/04/42/55/535044255.db2.gz HHPWQHLPGUFKJT-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000563419081 323123875 /nfs/dbraw/zinc/12/38/75/323123875.db2.gz XZRHLXZVMPBMJE-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795864 362736564 /nfs/dbraw/zinc/73/65/64/362736564.db2.gz APDPFBASMYPSBI-CMPLNLGQSA-N 2 1 222.336 0.632 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248942644 346462191 /nfs/dbraw/zinc/46/21/91/346462191.db2.gz AAWDSAKXXYMWMI-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075100 346511073 /nfs/dbraw/zinc/51/10/73/346511073.db2.gz ULXXYTLNLAVZOH-XQHKEYJVSA-N 3 1 223.364 0.526 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000641800274 362751690 /nfs/dbraw/zinc/75/16/90/362751690.db2.gz AJOVDIOQVITFMQ-ONGXEEELSA-N 2 1 206.293 0.009 20 0 BCADMP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000641800549 362752190 /nfs/dbraw/zinc/75/21/90/362752190.db2.gz ZDMFWAJUWBWLMU-MWLCHTKSSA-N 3 1 208.309 0.242 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641800675 362752361 /nfs/dbraw/zinc/75/23/61/362752361.db2.gz CWMMAQYPZOWIHG-QWRGUYRKSA-N 2 1 239.363 0.570 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000641800755 362752940 /nfs/dbraw/zinc/75/29/40/362752940.db2.gz FHXTWMVTSAEHGR-UWVGGRQHSA-N 2 1 248.392 0.527 20 0 BCADMP CC[C@@H]([NH2+]C[C@@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000574981265 346488915 /nfs/dbraw/zinc/48/89/15/346488915.db2.gz MIBYMSMHNGJTGT-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801591 362756810 /nfs/dbraw/zinc/75/68/10/362756810.db2.gz SWGITUYYPXLDRS-UWVGGRQHSA-N 2 1 241.379 0.864 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753051 346499068 /nfs/dbraw/zinc/49/90/68/346499068.db2.gz RZYGVPRTGOOPLS-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCCCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803731 362760814 /nfs/dbraw/zinc/76/08/14/362760814.db2.gz FKRHCSFGMIGSOS-UWVGGRQHSA-N 2 1 227.352 0.618 20 0 BCADMP CCCN(C(=O)CC(F)(F)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000577120239 365825409 /nfs/dbraw/zinc/82/54/09/365825409.db2.gz AQXWXNKFGRGFLF-VIFPVBQESA-N 2 1 249.305 0.571 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100675 /nfs/dbraw/zinc/10/06/75/347100675.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100676 /nfs/dbraw/zinc/10/06/76/347100676.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100678 /nfs/dbraw/zinc/10/06/78/347100678.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cncn1C ZINC000641818002 362769409 /nfs/dbraw/zinc/76/94/09/362769409.db2.gz BMONLBGMFNDHLT-MNOVXSKESA-N 2 1 222.336 0.774 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000380157929 346582614 /nfs/dbraw/zinc/58/26/14/346582614.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000380157929 346582617 /nfs/dbraw/zinc/58/26/17/346582617.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000380157929 346582620 /nfs/dbraw/zinc/58/26/20/346582620.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 2 1 244.379 0.536 20 0 BCADMP C[N@@H+]1CC[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000580209659 346675418 /nfs/dbraw/zinc/67/54/18/346675418.db2.gz CPMSZKITOCXSPW-MRVPVSSYSA-N 2 1 235.278 0.038 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000580209659 346675421 /nfs/dbraw/zinc/67/54/21/346675421.db2.gz CPMSZKITOCXSPW-MRVPVSSYSA-N 2 1 235.278 0.038 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000167476219 346710277 /nfs/dbraw/zinc/71/02/77/346710277.db2.gz LEKYXOVWQBLCON-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH2+]C ZINC000178836132 346718308 /nfs/dbraw/zinc/71/83/08/346718308.db2.gz PEFFDOMVEDILJG-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000300420203 346744367 /nfs/dbraw/zinc/74/43/67/346744367.db2.gz XSZFDUMJWPOJSW-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000300420203 346744369 /nfs/dbraw/zinc/74/43/69/346744369.db2.gz XSZFDUMJWPOJSW-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000300420944 346745238 /nfs/dbraw/zinc/74/52/38/346745238.db2.gz APCDGISACBPSON-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000300421827 346746288 /nfs/dbraw/zinc/74/62/88/346746288.db2.gz PWXCQXJABPDHSB-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766808 346792835 /nfs/dbraw/zinc/79/28/35/346792835.db2.gz URQKOGYUTMWHSP-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000577177660 365860016 /nfs/dbraw/zinc/86/00/16/365860016.db2.gz CXGXITXDEGNIOO-BDAKNGLRSA-N 2 1 249.305 0.440 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000641821558 362770913 /nfs/dbraw/zinc/77/09/13/362770913.db2.gz LNSZWVFHZPGZRY-RYUDHWBXSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000641821558 362770917 /nfs/dbraw/zinc/77/09/17/362770917.db2.gz LNSZWVFHZPGZRY-RYUDHWBXSA-N 2 1 220.320 0.765 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251785463 133647141 /nfs/dbraw/zinc/64/71/41/133647141.db2.gz NDOSMRBBDMAYSP-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CO ZINC000622004856 370655768 /nfs/dbraw/zinc/65/57/68/370655768.db2.gz VTRAFYPUHCJLTC-DGCLKSJQSA-N 2 1 226.364 0.936 20 0 BCADMP CC(C)[NH+]1CCC(N[C@]2(CO)CCOC2)CC1 ZINC000184196638 347153318 /nfs/dbraw/zinc/15/33/18/347153318.db2.gz NMGIJRMNFYUIKV-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@]2(CO)CCOC2)CC1 ZINC000184196638 347153320 /nfs/dbraw/zinc/15/33/20/347153320.db2.gz NMGIJRMNFYUIKV-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000641824586 362774310 /nfs/dbraw/zinc/77/43/10/362774310.db2.gz UQJVPPSMWFPUAM-WCQYABFASA-N 2 1 234.347 0.776 20 0 BCADMP COC(=O)CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328305 347216741 /nfs/dbraw/zinc/21/67/41/347216741.db2.gz KSQOLKZFFCFXNM-PWSUYJOCSA-N 2 1 226.320 0.671 20 0 BCADMP CCSCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328673 347217121 /nfs/dbraw/zinc/21/71/21/347217121.db2.gz VPBHBOUCJVOPPT-UHFFFAOYSA-N 2 1 232.393 0.786 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330491 347220833 /nfs/dbraw/zinc/22/08/33/347220833.db2.gz TZQNWHPVFCPCEO-ZJUUUORDSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330491 347220837 /nfs/dbraw/zinc/22/08/37/347220837.db2.gz TZQNWHPVFCPCEO-ZJUUUORDSA-N 2 1 214.309 0.751 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000019506089 347338329 /nfs/dbraw/zinc/33/83/29/347338329.db2.gz VVLZAEACHCQVHZ-SNVBAGLBSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252772573 347429043 /nfs/dbraw/zinc/42/90/43/347429043.db2.gz MDNSLVJPPBPXBT-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252772573 347429048 /nfs/dbraw/zinc/42/90/48/347429048.db2.gz MDNSLVJPPBPXBT-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149778107 347512727 /nfs/dbraw/zinc/51/27/27/347512727.db2.gz JXMXGRKMZQDVEH-WYUUTHIRSA-N 2 1 210.321 0.705 20 0 BCADMP Cc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000042436003 179270143 /nfs/dbraw/zinc/27/01/43/179270143.db2.gz IONBPNCNTYFPSQ-GFCCVEGCSA-N 2 1 208.305 0.746 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591096148 347618488 /nfs/dbraw/zinc/61/84/88/347618488.db2.gz SZMUSLUYODZSGC-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591096147 347618741 /nfs/dbraw/zinc/61/87/41/347618741.db2.gz SZMUSLUYODZSGC-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CCOC(=O)CC[N@@H+](CCC[NH3+])C1CC1 ZINC000591272149 347636490 /nfs/dbraw/zinc/63/64/90/347636490.db2.gz FQEAJNYRUQTQOX-UHFFFAOYSA-N 2 1 214.309 0.753 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000591430095 347655255 /nfs/dbraw/zinc/65/52/55/347655255.db2.gz XTCXSEATEJXJQT-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000019687524 179273714 /nfs/dbraw/zinc/27/37/14/179273714.db2.gz BKCVJAINBGMRPU-UHFFFAOYSA-N 2 1 247.342 0.598 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1nccn1C ZINC000591873804 347705009 /nfs/dbraw/zinc/70/50/09/347705009.db2.gz ZGRXJHSBPNPYGG-LLVKDONJSA-N 2 1 222.336 0.946 20 0 BCADMP CC[C@@H]1CN(C)CCN1Cc1nccn1C ZINC000591873804 347705013 /nfs/dbraw/zinc/70/50/13/347705013.db2.gz ZGRXJHSBPNPYGG-LLVKDONJSA-N 2 1 222.336 0.946 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000592831346 347827444 /nfs/dbraw/zinc/82/74/44/347827444.db2.gz BUBTVJJKTOSPHV-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP COC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592494246 347787860 /nfs/dbraw/zinc/78/78/60/347787860.db2.gz NMFBKCYIAFEBGK-SNVBAGLBSA-N 2 1 226.320 0.481 20 0 BCADMP [NH3+]CCCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070202240 349976971 /nfs/dbraw/zinc/97/69/71/349976971.db2.gz ZVOZISDELBCLGC-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000577392121 365944280 /nfs/dbraw/zinc/94/42/80/365944280.db2.gz OQOPVWAUIDSSIC-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594555402 348069292 /nfs/dbraw/zinc/06/92/92/348069292.db2.gz DAZJVZOIHFSSPX-AXFHLTTASA-N 2 1 228.336 0.868 20 0 BCADMP C[C@@H](CSCCF)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000595020068 348171391 /nfs/dbraw/zinc/17/13/91/348171391.db2.gz SWUAGPKLDNXIBE-VHSXEESVSA-N 2 1 238.372 0.590 20 0 BCADMP CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652438 348249651 /nfs/dbraw/zinc/24/96/51/348249651.db2.gz WMOBPNSEFCWNCS-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)[N@@H+](C)CCCNC1=[NH+]CCCN1 ZINC000340034635 187394160 /nfs/dbraw/zinc/39/41/60/187394160.db2.gz XGEIXCPOQJISSS-UHFFFAOYSA-N 2 1 212.341 0.656 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000044799486 187395103 /nfs/dbraw/zinc/39/51/03/187395103.db2.gz MFKRILFOYIMUGW-NSHDSACASA-N 2 1 227.352 0.381 20 0 BCADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1CNCCO1 ZINC000595892111 348390948 /nfs/dbraw/zinc/39/09/48/348390948.db2.gz KSNRKQLWVUGBAR-GHMZBOCLSA-N 2 1 242.319 0.002 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901215 348394589 /nfs/dbraw/zinc/39/45/89/348394589.db2.gz SEPPFOPCNDFQBH-LBPRGKRZSA-N 2 1 240.347 0.871 20 0 BCADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902599 348395101 /nfs/dbraw/zinc/39/51/01/348395101.db2.gz AMQQPYKSBQYVME-NEPJUHHUSA-N 2 1 235.331 0.196 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000596103209 348440277 /nfs/dbraw/zinc/44/02/77/348440277.db2.gz CPJGKKNGZBXCEZ-VIFPVBQESA-N 2 1 216.325 0.773 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000596108031 348441639 /nfs/dbraw/zinc/44/16/39/348441639.db2.gz TUFGBBYUURFWHP-WHXUTIOJSA-N 2 1 228.336 0.916 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[NH2+]1 ZINC000420163393 192166043 /nfs/dbraw/zinc/16/60/43/192166043.db2.gz JZPPEXVKMFAIQX-JTQLQIEISA-N 2 1 249.314 0.844 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000597221106 348692378 /nfs/dbraw/zinc/69/23/78/348692378.db2.gz MPFQINZTIQEHDI-JGZJWPJOSA-N 2 1 226.320 0.622 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@@H+](C)C(C)C ZINC000054133671 348892630 /nfs/dbraw/zinc/89/26/30/348892630.db2.gz PNIOBGRODJUSRT-UHFFFAOYSA-N 2 1 229.368 0.831 20 0 BCADMP COC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623511424 362938020 /nfs/dbraw/zinc/93/80/20/362938020.db2.gz OBPRYJQJACQKHI-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623511424 362938027 /nfs/dbraw/zinc/93/80/27/362938027.db2.gz OBPRYJQJACQKHI-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252598878 349200710 /nfs/dbraw/zinc/20/07/10/349200710.db2.gz KGDFTQXJXFQISV-TUAOUCFPSA-N 2 1 239.363 0.442 20 0 BCADMP COCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252781138 349204410 /nfs/dbraw/zinc/20/44/10/349204410.db2.gz UEOAXNMRIIPWIM-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP COCCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252781138 349204413 /nfs/dbraw/zinc/20/44/13/349204413.db2.gz UEOAXNMRIIPWIM-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP CC[N@@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000530226751 323219433 /nfs/dbraw/zinc/21/94/33/323219433.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000530226751 323219435 /nfs/dbraw/zinc/21/94/35/323219435.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c(C)c1C ZINC000309019623 349305689 /nfs/dbraw/zinc/30/56/89/349305689.db2.gz SYTOTARNMWCTJU-LLVKDONJSA-N 2 1 211.309 0.813 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c(C)c1C ZINC000309019623 349305693 /nfs/dbraw/zinc/30/56/93/349305693.db2.gz SYTOTARNMWCTJU-LLVKDONJSA-N 2 1 211.309 0.813 20 0 BCADMP CCCc1[nH+]ccn1Cc1noc(CN)n1 ZINC000300907461 349425642 /nfs/dbraw/zinc/42/56/42/349425642.db2.gz OJQQNNYZDLRURE-UHFFFAOYSA-N 2 1 221.264 0.726 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619288 350029620 /nfs/dbraw/zinc/02/96/20/350029620.db2.gz SCGXBDZRWWGFBE-LLVKDONJSA-N 2 1 213.325 0.196 20 0 BCADMP COC(=O)C(C)(C)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000602023504 349419714 /nfs/dbraw/zinc/41/97/14/349419714.db2.gz XCORBUDHAOSOFN-UHFFFAOYSA-N 2 1 226.320 0.527 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309121078 350036357 /nfs/dbraw/zinc/03/63/57/350036357.db2.gz UCJZRXIZEHGOLH-CKYFFXLPSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309121078 350036361 /nfs/dbraw/zinc/03/63/61/350036361.db2.gz UCJZRXIZEHGOLH-CKYFFXLPSA-N 2 1 212.337 0.687 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000603906950 350049440 /nfs/dbraw/zinc/04/94/40/350049440.db2.gz CXBNLFOOUBVIHR-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422705166 192435964 /nfs/dbraw/zinc/43/59/64/192435964.db2.gz BHGSGQJTKVBUFA-HBNTYKKESA-N 2 1 200.326 0.878 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCSC1 ZINC000224611906 490332857 /nfs/dbraw/zinc/33/28/57/490332857.db2.gz TZNPTVYCZJFQMX-LBPRGKRZSA-N 2 1 243.420 0.577 20 0 BCADMP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000304447522 350153594 /nfs/dbraw/zinc/15/35/94/350153594.db2.gz WUOPUHLVBVQCNY-RYUDHWBXSA-N 2 1 222.336 0.861 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000428441434 191073417 /nfs/dbraw/zinc/07/34/17/191073417.db2.gz VYKAOQSZUBUYSV-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000316602184 350221716 /nfs/dbraw/zinc/22/17/16/350221716.db2.gz PKZQZMOMHHDODB-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000316602184 350221722 /nfs/dbraw/zinc/22/17/22/350221722.db2.gz PKZQZMOMHHDODB-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166221835 535115845 /nfs/dbraw/zinc/11/58/45/535115845.db2.gz ZVKQWJXRPNIQPE-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166221835 535115853 /nfs/dbraw/zinc/11/58/53/535115853.db2.gz ZVKQWJXRPNIQPE-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)C[C@H](C)[NH3+] ZINC000340183472 180234558 /nfs/dbraw/zinc/23/45/58/180234558.db2.gz DWIFJXKXCNZBKT-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H](C)[NH3+] ZINC000340186386 180236582 /nfs/dbraw/zinc/23/65/82/180236582.db2.gz QVXIJTDRPRXORB-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000269242827 180245744 /nfs/dbraw/zinc/24/57/44/180245744.db2.gz SCIHFVDCFARQTA-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CCO)C(C)C ZINC000050103900 180252152 /nfs/dbraw/zinc/25/21/52/180252152.db2.gz RYNGUIKJGRNOCR-UHFFFAOYSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CCO)C(C)C ZINC000050103900 180252154 /nfs/dbraw/zinc/25/21/54/180252154.db2.gz RYNGUIKJGRNOCR-UHFFFAOYSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)/C=C/C[NH+](C)C ZINC000265681614 180255463 /nfs/dbraw/zinc/25/54/63/180255463.db2.gz VYERMUFWUCOPKZ-SNAWJCMRSA-N 2 1 236.319 0.426 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)C[NH3+] ZINC000285860779 180244317 /nfs/dbraw/zinc/24/43/17/180244317.db2.gz YVUSHOIOROXHPG-SECBINFHSA-N 2 1 224.308 0.293 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000262683619 180245434 /nfs/dbraw/zinc/24/54/34/180245434.db2.gz ZKIYXACXCKGYJI-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]C1(C(N)=O)CC1 ZINC000336743052 180245523 /nfs/dbraw/zinc/24/55/23/180245523.db2.gz SSDHADAKKNCOLL-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CC(N)=O ZINC000230652526 180260676 /nfs/dbraw/zinc/26/06/76/180260676.db2.gz KPUMBMXGADJXTD-UHFFFAOYSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000282401729 180263627 /nfs/dbraw/zinc/26/36/27/180263627.db2.gz PRVNEAGHKDIKRD-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769021 192461730 /nfs/dbraw/zinc/46/17/30/192461730.db2.gz ZWRAGSZWFABDRJ-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[NH3+] ZINC000178848238 180269335 /nfs/dbraw/zinc/26/93/35/180269335.db2.gz VOHDIIQTJZKJFY-LLVKDONJSA-N 2 1 236.319 0.531 20 0 BCADMP CN(CC[NH2+]C1CC[NH+](C)CC1)CC(F)F ZINC000623830924 350312968 /nfs/dbraw/zinc/31/29/68/350312968.db2.gz IVEKIDWNPUGHEN-UHFFFAOYSA-N 2 1 235.322 0.867 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000606346309 350315608 /nfs/dbraw/zinc/31/56/08/350315608.db2.gz UGAVXTXXKJTSSF-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP Cc1ncsc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000336769731 180321610 /nfs/dbraw/zinc/32/16/10/180321610.db2.gz SKBSOQNZPGIAED-LLVKDONJSA-N 2 1 241.360 0.608 20 0 BCADMP Cc1ncsc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336769731 180321613 /nfs/dbraw/zinc/32/16/13/180321613.db2.gz SKBSOQNZPGIAED-LLVKDONJSA-N 2 1 241.360 0.608 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000069840047 350415033 /nfs/dbraw/zinc/41/50/33/350415033.db2.gz PVZVFMCWJAFAEE-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1C ZINC000134035246 191106648 /nfs/dbraw/zinc/10/66/48/191106648.db2.gz NMJFZOSZDHZISH-GXSJLCMTSA-N 2 1 209.293 0.959 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000163328170 350517247 /nfs/dbraw/zinc/51/72/47/350517247.db2.gz ZIEMFFPZQJDGGG-QWRGUYRKSA-N 2 1 212.337 0.830 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000228005570 350524179 /nfs/dbraw/zinc/52/41/79/350524179.db2.gz TYBYVUQANOMUIO-ZYHUDNBSSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000309416163 323395308 /nfs/dbraw/zinc/39/53/08/323395308.db2.gz XHYFGQXQVATDMR-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000309416163 323395313 /nfs/dbraw/zinc/39/53/13/323395313.db2.gz XHYFGQXQVATDMR-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000309416163 323395317 /nfs/dbraw/zinc/39/53/17/323395317.db2.gz XHYFGQXQVATDMR-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000309416163 323395323 /nfs/dbraw/zinc/39/53/23/323395323.db2.gz XHYFGQXQVATDMR-WDEREUQCSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH3+])C1 ZINC000236770180 350742114 /nfs/dbraw/zinc/74/21/14/350742114.db2.gz BKWXOQMSRNXKGZ-JTQLQIEISA-N 2 1 213.325 0.039 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc2n1CCC2 ZINC000623085732 350842566 /nfs/dbraw/zinc/84/25/66/350842566.db2.gz BHGRLJKONULPCV-UHFFFAOYSA-N 2 1 245.330 0.895 20 0 BCADMP CO[C@@](C)(CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560507 362985439 /nfs/dbraw/zinc/98/54/39/362985439.db2.gz IHURTUHCVQMZSY-WCQYABFASA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520629 351071201 /nfs/dbraw/zinc/07/12/01/351071201.db2.gz ZVQJUSGUCPKEOZ-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520678 351071234 /nfs/dbraw/zinc/07/12/34/351071234.db2.gz RYBNISQZNQGOKY-ZWNOBZJWSA-N 2 1 237.347 0.481 20 0 BCADMP CC[N@H+]1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000264308199 351232306 /nfs/dbraw/zinc/23/23/06/351232306.db2.gz ZEWSQZDDQJBMFR-LLVKDONJSA-N 2 1 222.336 0.946 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn[nH]c1 ZINC000380023567 351324994 /nfs/dbraw/zinc/32/49/94/351324994.db2.gz XPFXHZLECQIUPS-UHFFFAOYSA-N 2 1 205.265 0.704 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183130 191136731 /nfs/dbraw/zinc/13/67/31/191136731.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183130 191136734 /nfs/dbraw/zinc/13/67/34/191136734.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183130 191136736 /nfs/dbraw/zinc/13/67/36/191136736.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000626965096 363066624 /nfs/dbraw/zinc/06/66/24/363066624.db2.gz QTOUKRLDUAFYQJ-SNVBAGLBSA-N 2 1 240.351 0.132 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000577631492 366026909 /nfs/dbraw/zinc/02/69/09/366026909.db2.gz UWIXXHIWKMQSOP-SSDOTTSWSA-N 2 1 242.348 0.330 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC000072826027 351608533 /nfs/dbraw/zinc/60/85/33/351608533.db2.gz NHGNDPDCHWDXGS-NSHDSACASA-N 2 1 236.319 0.484 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000637802713 351634720 /nfs/dbraw/zinc/63/47/20/351634720.db2.gz SZGANNASKXXHNH-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637814951 351653953 /nfs/dbraw/zinc/65/39/53/351653953.db2.gz RICGPQLHIYXENU-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000637815442 351654772 /nfs/dbraw/zinc/65/47/72/351654772.db2.gz AWUUBTNKYHQCSU-SECBINFHSA-N 2 1 222.292 0.012 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637832095 351681104 /nfs/dbraw/zinc/68/11/04/351681104.db2.gz FVGKNQZISRKTPZ-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834623 351688692 /nfs/dbraw/zinc/68/86/92/351688692.db2.gz YQJZDYCZCCWGNP-LLVKDONJSA-N 2 1 236.319 0.307 20 0 BCADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)[NH2+]1 ZINC000637840612 351695901 /nfs/dbraw/zinc/69/59/01/351695901.db2.gz PMVJPALTVUUIQP-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000637841085 351696845 /nfs/dbraw/zinc/69/68/45/351696845.db2.gz QFAWNLRXBZOYSJ-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637841391 351697225 /nfs/dbraw/zinc/69/72/25/351697225.db2.gz KHWQXZPNVCHHPH-LBPRGKRZSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637844138 351699946 /nfs/dbraw/zinc/69/99/46/351699946.db2.gz DXNUEVWLGJGBCI-KOLCDFICSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637844139 351700199 /nfs/dbraw/zinc/70/01/99/351700199.db2.gz DXNUEVWLGJGBCI-MWLCHTKSSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH3+] ZINC000637823254 351668098 /nfs/dbraw/zinc/66/80/98/351668098.db2.gz FSUSOGSNBNOBAH-QMMMGPOBSA-N 2 1 210.281 0.045 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000637823655 351668963 /nfs/dbraw/zinc/66/89/63/351668963.db2.gz SLNIMTNGATYGLH-GHMZBOCLSA-N 2 1 225.336 0.135 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000637823659 351669136 /nfs/dbraw/zinc/66/91/36/351669136.db2.gz SLNIMTNGATYGLH-WDEREUQCSA-N 2 1 225.336 0.135 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637823768 351669211 /nfs/dbraw/zinc/66/92/11/351669211.db2.gz IJMKAGBTOFGIAJ-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]C2CC2)C1 ZINC000637827440 351669797 /nfs/dbraw/zinc/66/97/97/351669797.db2.gz HGIPTFSYWXLUSZ-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C1CC1 ZINC000637826412 351673171 /nfs/dbraw/zinc/67/31/71/351673171.db2.gz CVEFOWGJWBEZDH-UHFFFAOYSA-N 2 1 222.292 0.060 20 0 BCADMP CCC([NH3+])(CC)CNC(=O)Cn1cc[nH+]c1C ZINC000637859379 351717222 /nfs/dbraw/zinc/71/72/22/351717222.db2.gz VYPBNEDMZBTBMU-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP C[N@@H+](CC(=O)NCC(C)(C)[NH3+])CC(C)(C)C ZINC000637857886 351718545 /nfs/dbraw/zinc/71/85/45/351718545.db2.gz RBKKZRCPDWEBNA-UHFFFAOYSA-N 2 1 229.368 0.818 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC000637862203 351722652 /nfs/dbraw/zinc/72/26/52/351722652.db2.gz MAKZGRUUKASARO-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637865934 351725795 /nfs/dbraw/zinc/72/57/95/351725795.db2.gz GMNGBNPVACGYNH-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000626986087 363084483 /nfs/dbraw/zinc/08/44/83/363084483.db2.gz ADMLFSCBNCVFTH-OUAUKWLOSA-N 2 1 240.351 0.130 20 0 BCADMP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637853199 351708969 /nfs/dbraw/zinc/70/89/69/351708969.db2.gz SENLARRDVPVCAX-AAEUAGOBSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637851654 351710240 /nfs/dbraw/zinc/71/02/40/351710240.db2.gz JXCSNWHXMWBJJS-YPMHNXCESA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+]1C ZINC000637854327 351713169 /nfs/dbraw/zinc/71/31/69/351713169.db2.gz GUDIGMQNFYWEQV-SDDRHHMPSA-N 2 1 239.363 0.570 20 0 BCADMP CN(CCC[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637854300 351713397 /nfs/dbraw/zinc/71/33/97/351713397.db2.gz GFWCMSCRMUVOIH-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000637854714 351714251 /nfs/dbraw/zinc/71/42/51/351714251.db2.gz DOFNSNKEPHFPAN-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638075244 351947089 /nfs/dbraw/zinc/94/70/89/351947089.db2.gz DAMYKDZEXGMUMD-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000638075832 351947484 /nfs/dbraw/zinc/94/74/84/351947484.db2.gz UOEQKKPVFLSZNK-JHJVBQTASA-N 2 1 249.358 0.777 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000638047436 351926827 /nfs/dbraw/zinc/92/68/27/351926827.db2.gz HNNXLYMZAPJZRO-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000638075833 351947897 /nfs/dbraw/zinc/94/78/97/351947897.db2.gz UOEQKKPVFLSZNK-UPJWGTAASA-N 2 1 249.358 0.777 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000638069355 351941225 /nfs/dbraw/zinc/94/12/25/351941225.db2.gz JMNCTBKFKPFMIA-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071262 351943687 /nfs/dbraw/zinc/94/36/87/351943687.db2.gz BBWYHTIAXCBYAG-PWSUYJOCSA-N 2 1 237.347 0.492 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638075245 351946566 /nfs/dbraw/zinc/94/65/66/351946566.db2.gz DAMYKDZEXGMUMD-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638145225 352008240 /nfs/dbraw/zinc/00/82/40/352008240.db2.gz QAGITPPZBRYFNA-JTQLQIEISA-N 2 1 229.368 0.675 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638147597 352008860 /nfs/dbraw/zinc/00/88/60/352008860.db2.gz WOWZXNVODQWFOR-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638148262 352009492 /nfs/dbraw/zinc/00/94/92/352009492.db2.gz MEYAAPVZFOXCKX-GXSJLCMTSA-N 2 1 236.319 0.387 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH3+] ZINC000638154267 352014456 /nfs/dbraw/zinc/01/44/56/352014456.db2.gz GOYJCCPBONPEPI-MRVPVSSYSA-N 2 1 210.281 0.045 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000638079532 351952850 /nfs/dbraw/zinc/95/28/50/351952850.db2.gz UGWSOYZLCUWUPE-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000638080148 351953200 /nfs/dbraw/zinc/95/32/00/351953200.db2.gz ZLUNTLUXFAXJNZ-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CO[C@@]1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCOC1 ZINC000638090574 351968542 /nfs/dbraw/zinc/96/85/42/351968542.db2.gz YYETZUCPDKXWLD-YNEHKIRRSA-N 2 1 240.347 0.476 20 0 BCADMP CO[C@@]1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCOC1 ZINC000638090574 351968543 /nfs/dbraw/zinc/96/85/43/351968543.db2.gz YYETZUCPDKXWLD-YNEHKIRRSA-N 2 1 240.347 0.476 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000638090295 351968559 /nfs/dbraw/zinc/96/85/59/351968559.db2.gz HRUPXHGJMYYJBZ-VIFPVBQESA-N 2 1 224.308 0.306 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638095688 351975294 /nfs/dbraw/zinc/97/52/94/351975294.db2.gz BPZTUIFTLAJUEQ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126491 351998145 /nfs/dbraw/zinc/99/81/45/351998145.db2.gz NFSWBAJVQMMUBZ-NSHDSACASA-N 2 1 239.363 0.444 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000638133516 352000376 /nfs/dbraw/zinc/00/03/76/352000376.db2.gz IIGXRRQEFNXQPG-FOGDFJRCSA-N 2 1 239.363 0.583 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638180579 352045306 /nfs/dbraw/zinc/04/53/06/352045306.db2.gz WTQKWEBOKVDIFU-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638180582 352045483 /nfs/dbraw/zinc/04/54/83/352045483.db2.gz WTQKWEBOKVDIFU-ONGXEEELSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638182928 352046304 /nfs/dbraw/zinc/04/63/04/352046304.db2.gz YZKJDIZFTPSSPS-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638200291 352061017 /nfs/dbraw/zinc/06/10/17/352061017.db2.gz HNYSYRNWSQDAFF-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638198305 352061725 /nfs/dbraw/zinc/06/17/25/352061725.db2.gz VHNPCMFJBQMBMW-TXEJJXNPSA-N 2 1 248.330 0.544 20 0 BCADMP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000638204087 352065740 /nfs/dbraw/zinc/06/57/40/352065740.db2.gz IJIHXNGGDJRYNM-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000638205608 352067939 /nfs/dbraw/zinc/06/79/39/352067939.db2.gz IXJBVDOMSMTAMK-NXEZZACHSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C[NH2+]1 ZINC000638157041 352020588 /nfs/dbraw/zinc/02/05/88/352020588.db2.gz BAJHXNATXWPSEK-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638157970 352025635 /nfs/dbraw/zinc/02/56/35/352025635.db2.gz YCIGMHGQAUXNJY-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+](Cc2ncnn2C)CC1 ZINC000083970079 352118871 /nfs/dbraw/zinc/11/88/71/352118871.db2.gz BGURGSQBBLZFIR-VIFPVBQESA-N 2 1 223.324 0.374 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000638282375 352120392 /nfs/dbraw/zinc/12/03/92/352120392.db2.gz DGKLFSRGZYSPIO-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000638282375 352120394 /nfs/dbraw/zinc/12/03/94/352120394.db2.gz DGKLFSRGZYSPIO-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000638287977 352124694 /nfs/dbraw/zinc/12/46/94/352124694.db2.gz YOFFKZQAVDHQRA-TUAOUCFPSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638236276 352086874 /nfs/dbraw/zinc/08/68/74/352086874.db2.gz AQWJDNKMMWVRJY-QWRGUYRKSA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH3+])CC[N@H+]1C ZINC000638252757 352095859 /nfs/dbraw/zinc/09/58/59/352095859.db2.gz VXNSLNSVCBTZRS-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638253579 352096308 /nfs/dbraw/zinc/09/63/08/352096308.db2.gz BMEVHWXHTKNSMX-JGVFFNPUSA-N 2 1 210.281 0.043 20 0 BCADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638253514 352096629 /nfs/dbraw/zinc/09/66/29/352096629.db2.gz AEVCVTQSBFHHNA-AEJSXWLSSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)[NH3+] ZINC000638254865 352097993 /nfs/dbraw/zinc/09/79/93/352097993.db2.gz IZLVKFGUONKNCE-VHSXEESVSA-N 2 1 229.368 0.816 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638257361 352100725 /nfs/dbraw/zinc/10/07/25/352100725.db2.gz VDACOPLLZNTEQE-ZJUUUORDSA-N 2 1 238.335 0.858 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)Cn1c[nH+]cc1C ZINC000638259603 352101877 /nfs/dbraw/zinc/10/18/77/352101877.db2.gz RXUIBDXCYAOTPK-VIFPVBQESA-N 2 1 210.281 0.045 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH3+])C1 ZINC000638256231 352103810 /nfs/dbraw/zinc/10/38/10/352103810.db2.gz RPMFPPFCZXPDTA-WHXUTIOJSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960729 352105688 /nfs/dbraw/zinc/10/56/88/352105688.db2.gz JPOAFKIOIQYIOS-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638266630 352106225 /nfs/dbraw/zinc/10/62/25/352106225.db2.gz CORUJPBUUFUHSV-GHMZBOCLSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638269958 352107319 /nfs/dbraw/zinc/10/73/19/352107319.db2.gz VTYPRJIIXMOKOD-WDEREUQCSA-N 2 1 236.319 0.435 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638268102 352107854 /nfs/dbraw/zinc/10/78/54/352107854.db2.gz JGBLDGGDHUWYAA-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638268098 352108119 /nfs/dbraw/zinc/10/81/19/352108119.db2.gz JGBLDGGDHUWYAA-SRVKXCTJSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)C1 ZINC000638335095 352151022 /nfs/dbraw/zinc/15/10/22/352151022.db2.gz GIDMVCYARDUJHS-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638331948 352153952 /nfs/dbraw/zinc/15/39/52/352153952.db2.gz ABMJZVFRVYFXMR-SNVBAGLBSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638369169 352181858 /nfs/dbraw/zinc/18/18/58/352181858.db2.gz DYICWVBQACPEMJ-IUCAKERBSA-N 2 1 224.308 0.434 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncnn1C ZINC000638386248 352194517 /nfs/dbraw/zinc/19/45/17/352194517.db2.gz LPUGRJXAWIDXQA-UHFFFAOYSA-N 2 1 234.307 0.500 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000638312240 352138015 /nfs/dbraw/zinc/13/80/15/352138015.db2.gz FCRDSNJQNUMJJV-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000638313323 352139945 /nfs/dbraw/zinc/13/99/45/352139945.db2.gz UAEZXTVRPIBFLO-KGYLQXTDSA-N 2 1 249.358 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000638428608 352237309 /nfs/dbraw/zinc/23/73/09/352237309.db2.gz YSEIATJITAJWNB-UHFFFAOYSA-N 2 1 234.303 0.060 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638430772 352238616 /nfs/dbraw/zinc/23/86/16/352238616.db2.gz BBOYARLIWMSDOP-SNVBAGLBSA-N 2 1 229.368 0.688 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638396541 352203188 /nfs/dbraw/zinc/20/31/88/352203188.db2.gz KXHOIUDLNSKDJJ-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638399540 352203973 /nfs/dbraw/zinc/20/39/73/352203973.db2.gz ITFKJRIRYUYEON-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638432962 352241685 /nfs/dbraw/zinc/24/16/85/352241685.db2.gz OHXXCLDDAISLGQ-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000638438777 352245171 /nfs/dbraw/zinc/24/51/71/352245171.db2.gz CNLLQYNUBLSBCK-PWSUYJOCSA-N 2 1 225.336 0.196 20 0 BCADMP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CSC[NH2+]1 ZINC000638495640 352315407 /nfs/dbraw/zinc/31/54/07/352315407.db2.gz LIAQQORDXTVJSE-BDAKNGLRSA-N 2 1 241.360 0.050 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512646 352338645 /nfs/dbraw/zinc/33/86/45/352338645.db2.gz JNPAMFMFGVBIJN-NSHDSACASA-N 2 1 248.330 0.592 20 0 BCADMP C[NH+](C)CC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638544393 352375830 /nfs/dbraw/zinc/37/58/30/352375830.db2.gz VONQYZUTLMFNFC-UHFFFAOYSA-N 2 1 247.342 0.986 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638638249 352480101 /nfs/dbraw/zinc/48/01/01/352480101.db2.gz BSRFFITUOMFJRH-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638639703 352481702 /nfs/dbraw/zinc/48/17/02/352481702.db2.gz MTSPKMHUPPQDGE-KOLCDFICSA-N 2 1 236.319 0.448 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388767061 352555731 /nfs/dbraw/zinc/55/57/31/352555731.db2.gz SZOBYYBGDHKPFJ-FRRDWIJNSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040461753 352598173 /nfs/dbraw/zinc/59/81/73/352598173.db2.gz VZTOWHLXPQXBBP-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467841 352598568 /nfs/dbraw/zinc/59/85/68/352598568.db2.gz ZOSYSAXPUPXVDY-QWRGUYRKSA-N 2 1 223.320 0.045 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638727247 352585712 /nfs/dbraw/zinc/58/57/12/352585712.db2.gz DXIYGLWZSOITDZ-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531328 352654575 /nfs/dbraw/zinc/65/45/75/352654575.db2.gz MTQJOCFBGTUAOI-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531328 352654578 /nfs/dbraw/zinc/65/45/78/352654578.db2.gz MTQJOCFBGTUAOI-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638766524 352704083 /nfs/dbraw/zinc/70/40/83/352704083.db2.gz UDXZYSISWCGBOQ-HBNTYKKESA-N 2 1 225.336 0.195 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000393632170 352710336 /nfs/dbraw/zinc/71/03/36/352710336.db2.gz MZPQVWOUCGVGRF-TXEJJXNPSA-N 2 1 205.305 0.676 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000334182213 352770716 /nfs/dbraw/zinc/77/07/16/352770716.db2.gz FFIXPPCOEZLUIA-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000334182213 352770719 /nfs/dbraw/zinc/77/07/19/352770719.db2.gz FFIXPPCOEZLUIA-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000334182213 352770720 /nfs/dbraw/zinc/77/07/20/352770720.db2.gz FFIXPPCOEZLUIA-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000334221177 352824359 /nfs/dbraw/zinc/82/43/59/352824359.db2.gz WNHNYQWRJBERKU-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000334221177 352824363 /nfs/dbraw/zinc/82/43/63/352824363.db2.gz WNHNYQWRJBERKU-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000334198312 352790432 /nfs/dbraw/zinc/79/04/32/352790432.db2.gz LMBJPJXPTYNWAK-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334198312 352790435 /nfs/dbraw/zinc/79/04/35/352790435.db2.gz LMBJPJXPTYNWAK-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638804456 352978441 /nfs/dbraw/zinc/97/84/41/352978441.db2.gz AKJGSJUSCASODE-UHFFFAOYSA-N 2 1 249.314 0.432 20 0 BCADMP [NH3+][C@H]1CCCN(CCC[NH+]2CCOCC2)C1 ZINC000031993154 353042949 /nfs/dbraw/zinc/04/29/49/353042949.db2.gz VZKDQXGUQFJLED-LBPRGKRZSA-N 2 1 227.352 0.132 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919069 353083843 /nfs/dbraw/zinc/08/38/43/353083843.db2.gz XATXHBJRVFMGIC-QWRGUYRKSA-N 2 1 248.330 0.579 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638930780 353091972 /nfs/dbraw/zinc/09/19/72/353091972.db2.gz MDYWWFUADXGZIL-WCBMZHEXSA-N 2 1 222.292 0.140 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000638929101 353098608 /nfs/dbraw/zinc/09/86/08/353098608.db2.gz NQPYCKCNBDYROQ-CHWFTXMASA-N 2 1 225.336 0.275 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000019687680 188059190 /nfs/dbraw/zinc/05/91/90/188059190.db2.gz FRRADNXDVWWZBY-NSHDSACASA-N 2 1 227.352 0.522 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000638944074 353144632 /nfs/dbraw/zinc/14/46/32/353144632.db2.gz XVZTYOXRVYHLFN-GUBZILKMSA-N 2 1 243.376 0.283 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000357081445 188065934 /nfs/dbraw/zinc/06/59/34/188065934.db2.gz GWHNSGZFPYLPKB-VXGBXAGGSA-N 2 1 228.336 0.463 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CCNCC12CCCCC2 ZINC000357080923 188065946 /nfs/dbraw/zinc/06/59/46/188065946.db2.gz GDHOSDYUCBDQHC-UHFFFAOYSA-N 2 1 241.379 0.570 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCNCC12CCCCC2 ZINC000357080923 188065948 /nfs/dbraw/zinc/06/59/48/188065948.db2.gz GDHOSDYUCBDQHC-UHFFFAOYSA-N 2 1 241.379 0.570 20 0 BCADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125661706 353179947 /nfs/dbraw/zinc/17/99/47/353179947.db2.gz YQLQXKUOZMYIID-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@](O)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000381582835 538111276 /nfs/dbraw/zinc/11/12/76/538111276.db2.gz AYZSKMICEWQYPT-CIUDSAMLSA-N 2 1 238.253 0.451 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309792112 188169411 /nfs/dbraw/zinc/16/94/11/188169411.db2.gz PKEMBASMOAHNAM-ZYHUDNBSSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000236647828 188148530 /nfs/dbraw/zinc/14/85/30/188148530.db2.gz CRIJTGTZLGDVOB-SECBINFHSA-N 2 1 201.314 0.132 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000334634611 188178798 /nfs/dbraw/zinc/17/87/98/188178798.db2.gz VHKCNVPXOZBDHT-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000334634611 188178799 /nfs/dbraw/zinc/17/87/99/188178799.db2.gz VHKCNVPXOZBDHT-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000334634611 188178800 /nfs/dbraw/zinc/17/88/00/188178800.db2.gz VHKCNVPXOZBDHT-NWDGAFQWSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044751758 188216540 /nfs/dbraw/zinc/21/65/40/188216540.db2.gz QXKYGSKPOTVOCR-UHFFFAOYSA-N 2 1 227.352 0.524 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000128289962 188221596 /nfs/dbraw/zinc/22/15/96/188221596.db2.gz WFLKKKJHFAYEMH-ONGXEEELSA-N 2 1 222.336 0.898 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000250234545 353269773 /nfs/dbraw/zinc/26/97/73/353269773.db2.gz HBXIQPSTUIZWQX-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000165313491 353296727 /nfs/dbraw/zinc/29/67/27/353296727.db2.gz WBKFIERAGXUFFJ-ZJUUUORDSA-N 2 1 225.336 0.276 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1([NH3+])CC1 ZINC000165319194 353298697 /nfs/dbraw/zinc/29/86/97/353298697.db2.gz DOONSTRLXOKLLF-SNVBAGLBSA-N 2 1 225.336 0.278 20 0 BCADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049026 353339824 /nfs/dbraw/zinc/33/98/24/353339824.db2.gz GSMLYRXEBYMQCW-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049026 353339825 /nfs/dbraw/zinc/33/98/25/353339825.db2.gz GSMLYRXEBYMQCW-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049401 353343227 /nfs/dbraw/zinc/34/32/27/353343227.db2.gz QDVYKBZMAJNVSE-LBPRGKRZSA-N 2 1 244.404 0.786 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049401 353343231 /nfs/dbraw/zinc/34/32/31/353343231.db2.gz QDVYKBZMAJNVSE-LBPRGKRZSA-N 2 1 244.404 0.786 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639048823 353343560 /nfs/dbraw/zinc/34/35/60/353343560.db2.gz AFNPCWJVCDVLEZ-NWDGAFQWSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639048823 353343562 /nfs/dbraw/zinc/34/35/62/353343562.db2.gz AFNPCWJVCDVLEZ-NWDGAFQWSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CS1 ZINC000639049493 353344587 /nfs/dbraw/zinc/34/45/87/353344587.db2.gz SSUORSZBHNVHOC-OUAUKWLOSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CS1 ZINC000639049493 353344588 /nfs/dbraw/zinc/34/45/88/353344588.db2.gz SSUORSZBHNVHOC-OUAUKWLOSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000639049204 353347897 /nfs/dbraw/zinc/34/78/97/353347897.db2.gz KCCFKZNGLRVKGZ-LPEHRKFASA-N 2 1 234.290 0.686 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639049204 353347900 /nfs/dbraw/zinc/34/79/00/353347900.db2.gz KCCFKZNGLRVKGZ-LPEHRKFASA-N 2 1 234.290 0.686 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072788 353419358 /nfs/dbraw/zinc/41/93/58/353419358.db2.gz KOTFVZWGFHQFIP-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP CC(C)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178451 353579763 /nfs/dbraw/zinc/57/97/63/353579763.db2.gz UQJVOLQASMALMQ-NSHDSACASA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000193300689 353589790 /nfs/dbraw/zinc/58/97/90/353589790.db2.gz JZAVKZAMWUQQRZ-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193309249 353590066 /nfs/dbraw/zinc/59/00/66/353590066.db2.gz QKINOFYTZWYNRU-MNOVXSKESA-N 2 1 229.368 0.960 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112411 353550841 /nfs/dbraw/zinc/55/08/41/353550841.db2.gz QFFWTMABOORHKT-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000577866482 366091555 /nfs/dbraw/zinc/09/15/55/366091555.db2.gz RDZHNTOOVZWRKO-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC(F)(F)C[NH3+] ZINC000577883106 366095758 /nfs/dbraw/zinc/09/57/58/366095758.db2.gz MIRGHHMOMOFQNW-RNFRBKRXSA-N 2 1 223.267 0.213 20 0 BCADMP CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000231786580 353655155 /nfs/dbraw/zinc/65/51/55/353655155.db2.gz DOHPQRTUZYBHEC-WCQYABFASA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835296 353703119 /nfs/dbraw/zinc/70/31/19/353703119.db2.gz WGISDMCTKVQNQF-JTQLQIEISA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627096240 363253288 /nfs/dbraw/zinc/25/32/88/363253288.db2.gz SWIFHCUXDYBTIH-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000627096242 363253339 /nfs/dbraw/zinc/25/33/39/363253339.db2.gz SWIFHCUXDYBTIH-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP C[NH2+]CCC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000220341723 353831047 /nfs/dbraw/zinc/83/10/47/353831047.db2.gz HIYCCMAGYMTAFY-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP CO[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C2)C1 ZINC000343746572 353970849 /nfs/dbraw/zinc/97/08/49/353970849.db2.gz TUMXYZSLVHMPOV-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1CO ZINC000343755551 353973349 /nfs/dbraw/zinc/97/33/49/353973349.db2.gz XXZBPZVVFJMTCL-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1CO ZINC000343755551 353973350 /nfs/dbraw/zinc/97/33/50/353973350.db2.gz XXZBPZVVFJMTCL-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@@H]1CO ZINC000343755551 353973353 /nfs/dbraw/zinc/97/33/53/353973353.db2.gz XXZBPZVVFJMTCL-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@@H]1CO ZINC000343755551 353973356 /nfs/dbraw/zinc/97/33/56/353973356.db2.gz XXZBPZVVFJMTCL-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000343980350 354057321 /nfs/dbraw/zinc/05/73/21/354057321.db2.gz IVJJKYNOEMTROD-ZDUSSCGKSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H]1C[C@H](C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000344182374 354176338 /nfs/dbraw/zinc/17/63/38/354176338.db2.gz HKZXGRTXHIPVSQ-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588780 354216311 /nfs/dbraw/zinc/21/63/11/354216311.db2.gz XKCRJJJICXLCLX-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588780 354216313 /nfs/dbraw/zinc/21/63/13/354216313.db2.gz XKCRJJJICXLCLX-VXGBXAGGSA-N 3 1 211.353 0.799 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000344395221 354259716 /nfs/dbraw/zinc/25/97/16/354259716.db2.gz ZHZKBHUWSFTBRO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000344395221 354259718 /nfs/dbraw/zinc/25/97/18/354259718.db2.gz ZHZKBHUWSFTBRO-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627135348 363353819 /nfs/dbraw/zinc/35/38/19/363353819.db2.gz QZCIMYFBJQDNMF-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+](C)C ZINC000334652084 354445053 /nfs/dbraw/zinc/44/50/53/354445053.db2.gz QIJOUULMNUTBDF-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+](C)C ZINC000334652084 354445055 /nfs/dbraw/zinc/44/50/55/354445055.db2.gz QIJOUULMNUTBDF-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP COC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000578064711 366211612 /nfs/dbraw/zinc/21/16/12/366211612.db2.gz QBZHZFXVOSRSFW-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP CN(C(=O)C1([NH3+])CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334660378 354459210 /nfs/dbraw/zinc/45/92/10/354459210.db2.gz FLALZGRVSSMTLN-SNVBAGLBSA-N 2 1 223.320 0.173 20 0 BCADMP O=C(CCn1ccnc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000334710588 354506807 /nfs/dbraw/zinc/50/68/07/354506807.db2.gz ANESLGCWOUUCML-TXEJJXNPSA-N 2 1 248.330 0.626 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000393889937 354597316 /nfs/dbraw/zinc/59/73/16/354597316.db2.gz ZJRFOPVUHVIRCN-ZDUSSCGKSA-N 2 1 234.347 0.648 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000345326338 354611820 /nfs/dbraw/zinc/61/18/20/354611820.db2.gz SQAHYCFZXKIIOM-IJLUTSLNSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000622009936 370662334 /nfs/dbraw/zinc/66/23/34/370662334.db2.gz OZUDYQXDLYHQKT-HTAVTVPLSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000336101547 491068099 /nfs/dbraw/zinc/06/80/99/491068099.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 2 1 239.363 0.347 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000336101547 491068100 /nfs/dbraw/zinc/06/81/00/491068100.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 2 1 239.363 0.347 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000336101547 491068103 /nfs/dbraw/zinc/06/81/03/491068103.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 2 1 239.363 0.347 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000054128926 491069143 /nfs/dbraw/zinc/06/91/43/491069143.db2.gz PRWBUCIFROSIJK-UHFFFAOYSA-N 2 1 201.314 0.039 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220383 324537831 /nfs/dbraw/zinc/53/78/31/324537831.db2.gz NTCHYVXUWMFALA-RKDXNWHRSA-N 2 1 211.309 0.125 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686313 355012779 /nfs/dbraw/zinc/01/27/79/355012779.db2.gz UAOVNTWDFWGCSL-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686313 355012782 /nfs/dbraw/zinc/01/27/82/355012782.db2.gz UAOVNTWDFWGCSL-GHMZBOCLSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc2cnccn12 ZINC000346694908 355077177 /nfs/dbraw/zinc/07/71/77/355077177.db2.gz XFEJJDRHROGSPF-MNOVXSKESA-N 2 1 245.330 0.898 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2cnccn12 ZINC000346694908 355077180 /nfs/dbraw/zinc/07/71/80/355077180.db2.gz XFEJJDRHROGSPF-MNOVXSKESA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc2cnccn12 ZINC000346694910 355077193 /nfs/dbraw/zinc/07/71/93/355077193.db2.gz XFEJJDRHROGSPF-WDEREUQCSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2cnccn12 ZINC000346694910 355077196 /nfs/dbraw/zinc/07/71/96/355077196.db2.gz XFEJJDRHROGSPF-WDEREUQCSA-N 2 1 245.330 0.898 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830203 355128722 /nfs/dbraw/zinc/12/87/22/355128722.db2.gz KEFQTFQGADACJW-GHMZBOCLSA-N 2 1 226.320 0.481 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346832639 355129386 /nfs/dbraw/zinc/12/93/86/355129386.db2.gz RHZFAQMLXIOKQL-DLOVCJGASA-N 2 1 220.320 0.887 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346970820 355207523 /nfs/dbraw/zinc/20/75/23/355207523.db2.gz GGGUXUVCPDONRD-LLVKDONJSA-N 2 1 230.352 0.709 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347002293 355199603 /nfs/dbraw/zinc/19/96/03/355199603.db2.gz ITEJVSYYUJIXGT-NEPJUHHUSA-N 2 1 239.363 0.573 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516310 355233696 /nfs/dbraw/zinc/23/36/96/355233696.db2.gz WBPRUNYRVJXDHQ-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516310 355233697 /nfs/dbraw/zinc/23/36/97/355233697.db2.gz WBPRUNYRVJXDHQ-LLVKDONJSA-N 2 1 228.336 0.823 20 0 BCADMP CC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CC)C1 ZINC000413180651 191361099 /nfs/dbraw/zinc/36/10/99/191361099.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413180651 191361103 /nfs/dbraw/zinc/36/11/03/191361103.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413180651 191361104 /nfs/dbraw/zinc/36/11/04/191361104.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP COCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512946 355249101 /nfs/dbraw/zinc/24/91/01/355249101.db2.gz SSUWUFVAHQXIMD-NSHDSACASA-N 2 1 200.326 0.906 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000623226457 355291003 /nfs/dbraw/zinc/29/10/03/355291003.db2.gz BCDHLSGRHTZHJI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623226457 355291005 /nfs/dbraw/zinc/29/10/05/355291005.db2.gz BCDHLSGRHTZHJI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623226457 355291010 /nfs/dbraw/zinc/29/10/10/355291010.db2.gz BCDHLSGRHTZHJI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000583502551 355331666 /nfs/dbraw/zinc/33/16/66/355331666.db2.gz UXETWNLHXNSOAJ-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000261691634 181189133 /nfs/dbraw/zinc/18/91/33/181189133.db2.gz BHKJZALUHQYMAN-VIFPVBQESA-N 2 1 222.292 0.900 20 0 BCADMP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000166352638 355387303 /nfs/dbraw/zinc/38/73/03/355387303.db2.gz BGRRBABUWNUUHP-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000166352866 355387572 /nfs/dbraw/zinc/38/75/72/355387572.db2.gz HYAFWPUHZFKSDY-GHMZBOCLSA-N 2 1 227.352 0.570 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981681 191640315 /nfs/dbraw/zinc/64/03/15/191640315.db2.gz YGPVPQORQADGKX-QWHCGFSZSA-N 2 1 243.395 0.541 20 0 BCADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000639329214 355741997 /nfs/dbraw/zinc/74/19/97/355741997.db2.gz VSYMSKNIDSWPMF-VWYCJHECSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000639329214 355742002 /nfs/dbraw/zinc/74/20/02/355742002.db2.gz VSYMSKNIDSWPMF-VWYCJHECSA-N 2 1 212.337 0.972 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028959 134058034 /nfs/dbraw/zinc/05/80/34/134058034.db2.gz BKVYPCPCHMLVPT-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028959 134058035 /nfs/dbraw/zinc/05/80/35/134058035.db2.gz BKVYPCPCHMLVPT-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]12 ZINC000351488174 355999214 /nfs/dbraw/zinc/99/92/14/355999214.db2.gz DXWIAYJGXAXAPJ-GRYCIOLGSA-N 2 1 237.347 0.278 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]12 ZINC000351488175 355999263 /nfs/dbraw/zinc/99/92/63/355999263.db2.gz DXWIAYJGXAXAPJ-IJLUTSLNSA-N 2 1 237.347 0.278 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167198664 355968817 /nfs/dbraw/zinc/96/88/17/355968817.db2.gz UOOUDDNTGMASSD-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000617551741 356107836 /nfs/dbraw/zinc/10/78/36/356107836.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617551741 356107839 /nfs/dbraw/zinc/10/78/39/356107839.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000617551741 356107843 /nfs/dbraw/zinc/10/78/43/356107843.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000351861579 356099520 /nfs/dbraw/zinc/09/95/20/356099520.db2.gz KSPBIAGIJBQJNN-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000351867448 356102855 /nfs/dbraw/zinc/10/28/55/356102855.db2.gz YFJQZJHPBLVAFO-UHTWSYAYSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000351867448 356102859 /nfs/dbraw/zinc/10/28/59/356102859.db2.gz YFJQZJHPBLVAFO-UHTWSYAYSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000351904557 356176401 /nfs/dbraw/zinc/17/64/01/356176401.db2.gz CPDKQNDCYHINHO-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CC(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192631281 356275888 /nfs/dbraw/zinc/27/58/88/356275888.db2.gz DSHADHGVQFNCPG-YHWZYXNKSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420299504 192207373 /nfs/dbraw/zinc/20/73/73/192207373.db2.gz GQZNSHALIMJSTN-UHFFFAOYSA-N 2 1 211.353 0.764 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420297636 192204555 /nfs/dbraw/zinc/20/45/55/192204555.db2.gz YZDRKOKVEYJWOD-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420297636 192204557 /nfs/dbraw/zinc/20/45/57/192204557.db2.gz YZDRKOKVEYJWOD-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H]1CN(CC[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000420295942 192204856 /nfs/dbraw/zinc/20/48/56/192204856.db2.gz WIQKGIIFXFPQDE-LBPRGKRZSA-N 2 1 243.395 0.624 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000381300777 491089361 /nfs/dbraw/zinc/08/93/61/491089361.db2.gz DQHKVYWAUVRKAU-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000381300777 491089362 /nfs/dbraw/zinc/08/93/62/491089362.db2.gz DQHKVYWAUVRKAU-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420296237 192205071 /nfs/dbraw/zinc/20/50/71/192205071.db2.gz WWFOSMXLUJWVLR-GHMZBOCLSA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000381300777 491089363 /nfs/dbraw/zinc/08/93/63/491089363.db2.gz DQHKVYWAUVRKAU-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000381300777 491089364 /nfs/dbraw/zinc/08/93/64/491089364.db2.gz DQHKVYWAUVRKAU-RYUDHWBXSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420303130 192206881 /nfs/dbraw/zinc/20/68/81/192206881.db2.gz HCVVTUOMCYUUJS-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000420269248 192195993 /nfs/dbraw/zinc/19/59/93/192195993.db2.gz SYKAJQBRLKFLCU-BDAKNGLRSA-N 2 1 237.303 0.828 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000336126734 134093290 /nfs/dbraw/zinc/09/32/90/134093290.db2.gz GFNZYZZVCQAYMW-QWRGUYRKSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000336126734 134093291 /nfs/dbraw/zinc/09/32/91/134093291.db2.gz GFNZYZZVCQAYMW-QWRGUYRKSA-N 2 1 225.336 0.276 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302903 192206964 /nfs/dbraw/zinc/20/69/64/192206964.db2.gz MSQHGCDFYAWGPI-NEPJUHHUSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000617752994 356312291 /nfs/dbraw/zinc/31/22/91/356312291.db2.gz YOSZMPKBFUIBNS-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300966 192206709 /nfs/dbraw/zinc/20/67/09/192206709.db2.gz DLTWVAOJCKYCRS-MNOVXSKESA-N 2 1 240.347 0.999 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300962 192207226 /nfs/dbraw/zinc/20/72/26/192207226.db2.gz DLTWVAOJCKYCRS-GHMZBOCLSA-N 2 1 240.347 0.999 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420303127 192207279 /nfs/dbraw/zinc/20/72/79/192207279.db2.gz HCVVTUOMCYUUJS-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617762074 356319464 /nfs/dbraw/zinc/31/94/64/356319464.db2.gz GQVFNGBZWUNLBO-JTQLQIEISA-N 2 1 238.335 0.648 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000420294457 192203432 /nfs/dbraw/zinc/20/34/32/192203432.db2.gz OMKIYBHJKZQBNS-NSHDSACASA-N 2 1 228.336 0.869 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330487 192215152 /nfs/dbraw/zinc/21/51/52/192215152.db2.gz PVKLZYBLVIKFIK-TUAOUCFPSA-N 2 1 240.347 0.869 20 0 BCADMP C[N@H+](CCOc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000420350519 192218074 /nfs/dbraw/zinc/21/80/74/192218074.db2.gz HESJXQJVWDNLGJ-NSHDSACASA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000420350519 192218077 /nfs/dbraw/zinc/21/80/77/192218077.db2.gz HESJXQJVWDNLGJ-NSHDSACASA-N 2 1 242.294 0.456 20 0 BCADMP CC[N@@H+](CCC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420302822 192207915 /nfs/dbraw/zinc/20/79/15/192207915.db2.gz CBVSEJQHCOKSQB-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420311837 192210472 /nfs/dbraw/zinc/21/04/72/192210472.db2.gz IBDDTGRHPXMRQY-LBPRGKRZSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308172 192210604 /nfs/dbraw/zinc/21/06/04/192210604.db2.gz CNQZKXSIWBLTCI-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H](N)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308172 192210606 /nfs/dbraw/zinc/21/06/06/192210606.db2.gz CNQZKXSIWBLTCI-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H](N)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308172 192210608 /nfs/dbraw/zinc/21/06/08/192210608.db2.gz CNQZKXSIWBLTCI-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420308172 192210611 /nfs/dbraw/zinc/21/06/11/192210611.db2.gz CNQZKXSIWBLTCI-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308173 192211778 /nfs/dbraw/zinc/21/17/78/192211778.db2.gz CNQZKXSIWBLTCI-IJLUTSLNSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H](N)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308173 192211780 /nfs/dbraw/zinc/21/17/80/192211780.db2.gz CNQZKXSIWBLTCI-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H](N)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308173 192211782 /nfs/dbraw/zinc/21/17/82/192211782.db2.gz CNQZKXSIWBLTCI-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1[C@H]([NH3+])CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420308173 192211785 /nfs/dbraw/zinc/21/17/85/192211785.db2.gz CNQZKXSIWBLTCI-IJLUTSLNSA-N 2 1 211.353 0.798 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420316552 192212168 /nfs/dbraw/zinc/21/21/68/192212168.db2.gz YIYXZQIANOSCJS-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP COC(=O)CCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367613 192226384 /nfs/dbraw/zinc/22/63/84/192226384.db2.gz MXCSGUPECILSOI-HOSYDEDBSA-N 2 1 228.336 0.916 20 0 BCADMP COC(=O)CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367614 192226391 /nfs/dbraw/zinc/22/63/91/192226391.db2.gz MXCSGUPECILSOI-JBLDHEPKSA-N 2 1 228.336 0.916 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369781 192227819 /nfs/dbraw/zinc/22/78/19/192227819.db2.gz OMUSSEIZLJKAHE-MDZLAQPJSA-N 3 1 225.380 0.962 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420327068 192228880 /nfs/dbraw/zinc/22/88/80/192228880.db2.gz CSZYHVKVZOCBLP-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420327068 192228881 /nfs/dbraw/zinc/22/88/81/192228881.db2.gz CSZYHVKVZOCBLP-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1cccn1 ZINC000420372213 192230432 /nfs/dbraw/zinc/23/04/32/192230432.db2.gz QBHDIDKHAAURHM-IJLUTSLNSA-N 2 1 222.336 0.859 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420324327 192230582 /nfs/dbraw/zinc/23/05/82/192230582.db2.gz VJEHQQVNVDZHNP-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420326704 192230640 /nfs/dbraw/zinc/23/06/40/192230640.db2.gz KLWHEBHQVOCYHM-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420326704 192230641 /nfs/dbraw/zinc/23/06/41/192230641.db2.gz KLWHEBHQVOCYHM-UHFFFAOYSA-N 2 1 227.352 0.668 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCC1 ZINC000420324689 192230648 /nfs/dbraw/zinc/23/06/48/192230648.db2.gz HMWAXYABCKJCFL-NSHDSACASA-N 2 1 211.353 0.799 20 0 BCADMP CN(CC[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000420324689 192230649 /nfs/dbraw/zinc/23/06/49/192230649.db2.gz HMWAXYABCKJCFL-NSHDSACASA-N 2 1 211.353 0.799 20 0 BCADMP COCCOCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420357888 192220219 /nfs/dbraw/zinc/22/02/19/192220219.db2.gz DWARZCMYJHNDOC-SDDRHHMPSA-N 2 1 230.352 0.626 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420357032 192220369 /nfs/dbraw/zinc/22/03/69/192220369.db2.gz HJYSHGKAHPDBIQ-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420363673 192224114 /nfs/dbraw/zinc/22/41/14/192224114.db2.gz PTPUQRDOOWBGRS-BDAKNGLRSA-N 2 1 200.282 0.361 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420363673 192224116 /nfs/dbraw/zinc/22/41/16/192224116.db2.gz PTPUQRDOOWBGRS-BDAKNGLRSA-N 2 1 200.282 0.361 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1CCCC1=O ZINC000420373512 192232217 /nfs/dbraw/zinc/23/22/17/192232217.db2.gz RGAKHXGRAHSOFL-WZRBSPASSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379989 192232720 /nfs/dbraw/zinc/23/27/20/192232720.db2.gz BYDVGSCPTJIJLJ-STQMWFEESA-N 3 1 241.379 0.426 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379989 192232722 /nfs/dbraw/zinc/23/27/22/192232722.db2.gz BYDVGSCPTJIJLJ-STQMWFEESA-N 2 1 241.379 0.426 20 0 BCADMP C[C@H]1CC(=O)NCC[N@H+]1CCc1cncn1C ZINC000639552059 356439861 /nfs/dbraw/zinc/43/98/61/356439861.db2.gz XJIWPBDROYYGKH-JTQLQIEISA-N 2 1 236.319 0.173 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412420 356482981 /nfs/dbraw/zinc/48/29/81/356482981.db2.gz VDKMULDBZGUXMP-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CC(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000639569220 356492416 /nfs/dbraw/zinc/49/24/16/356492416.db2.gz UFQKGGAMCLSYFM-JTQLQIEISA-N 2 1 207.277 0.798 20 0 BCADMP CCN(CCc1c[nH+]cn1C)Cc1cn(C)nn1 ZINC000639597533 356516305 /nfs/dbraw/zinc/51/63/05/356516305.db2.gz LJDFXRFMIYBFAE-UHFFFAOYSA-N 2 1 248.334 0.613 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000639625682 356539780 /nfs/dbraw/zinc/53/97/80/356539780.db2.gz FAIPEQRUEAXCJX-NSHDSACASA-N 2 1 225.336 0.959 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000379918731 538462045 /nfs/dbraw/zinc/46/20/45/538462045.db2.gz FTQBBLKQBUQIQY-LLVKDONJSA-N 2 1 230.377 0.538 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)[C@H]1CCC[NH2+]1 ZINC000423061432 192556692 /nfs/dbraw/zinc/55/66/92/192556692.db2.gz KUHLFMOZTBGBTR-VLEAKVRGSA-N 2 1 212.337 0.876 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000423058941 192554586 /nfs/dbraw/zinc/55/45/86/192554586.db2.gz DJEITFCKYPJJHU-WDEREUQCSA-N 2 1 212.337 0.737 20 0 BCADMP CC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754924 356658312 /nfs/dbraw/zinc/65/83/12/356658312.db2.gz CKAAADSZFNBORL-UHFFFAOYSA-N 2 1 210.321 0.993 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000167768896 134153738 /nfs/dbraw/zinc/15/37/38/134153738.db2.gz YGDVMBHWLBSVPP-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000167768896 134153739 /nfs/dbraw/zinc/15/37/39/134153739.db2.gz YGDVMBHWLBSVPP-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP COCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764267 356689785 /nfs/dbraw/zinc/68/97/85/356689785.db2.gz ZOKADQJMOUEWEJ-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H](O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764019 356689984 /nfs/dbraw/zinc/68/99/84/356689984.db2.gz SEDUNWUFCVMQAY-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2(C)COC2)C1 ZINC000639762089 356681429 /nfs/dbraw/zinc/68/14/29/356681429.db2.gz KEJTXWZTQWFTBK-ZDUSSCGKSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2(C)COC2)C1 ZINC000639762089 356681432 /nfs/dbraw/zinc/68/14/32/356681432.db2.gz KEJTXWZTQWFTBK-ZDUSSCGKSA-N 2 1 242.363 0.411 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCCC[NH+](C)C ZINC000180006016 366352464 /nfs/dbraw/zinc/35/24/64/366352464.db2.gz RPNSKNZADVVCJH-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CO[C@@H](C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769297 356708578 /nfs/dbraw/zinc/70/85/78/356708578.db2.gz XNQCPFCVRHDSOY-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CO[C@@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639769297 356708579 /nfs/dbraw/zinc/70/85/79/356708579.db2.gz XNQCPFCVRHDSOY-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@H+]1C[C@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193720 366379368 /nfs/dbraw/zinc/37/93/68/366379368.db2.gz KRWWQJQZISOVAA-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@H](C)[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000578193720 366379377 /nfs/dbraw/zinc/37/93/77/366379377.db2.gz KRWWQJQZISOVAA-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@H](C)[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000578193720 366379383 /nfs/dbraw/zinc/37/93/83/366379383.db2.gz KRWWQJQZISOVAA-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000357245140 356820153 /nfs/dbraw/zinc/82/01/53/356820153.db2.gz UTHLTOQVBPLNMX-VXGBXAGGSA-N 2 1 241.379 0.675 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH2+]C ZINC000357240640 356820322 /nfs/dbraw/zinc/82/03/22/356820322.db2.gz MIJSVULKRYNKQJ-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCC[NH+](C)C ZINC000623369729 356873389 /nfs/dbraw/zinc/87/33/89/356873389.db2.gz OJTHJMNVSIZFFK-UHFFFAOYSA-N 2 1 224.308 0.259 20 0 BCADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH3+])C[C@@H]1C ZINC000423195279 192620812 /nfs/dbraw/zinc/62/08/12/192620812.db2.gz ZFOUDIMLRMTLIK-GARJFASQSA-N 2 1 228.336 0.903 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1C ZINC000156229107 538773736 /nfs/dbraw/zinc/77/37/36/538773736.db2.gz VGABKGIPKLHBBG-VXGBXAGGSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1C ZINC000156229519 538774338 /nfs/dbraw/zinc/77/43/38/538774338.db2.gz VGABKGIPKLHBBG-RYUDHWBXSA-N 2 1 242.363 0.600 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504656 357098706 /nfs/dbraw/zinc/09/87/06/357098706.db2.gz WKSOPJIYLHLNBS-SDDRHHMPSA-N 3 1 209.337 0.137 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504656 357098707 /nfs/dbraw/zinc/09/87/07/357098707.db2.gz WKSOPJIYLHLNBS-SDDRHHMPSA-N 3 1 209.337 0.137 20 0 BCADMP [NH3+]Cc1noc(CCC2CC[NH2+]CC2)n1 ZINC000381444957 357172938 /nfs/dbraw/zinc/17/29/38/357172938.db2.gz FOUWMUWTIICVBH-UHFFFAOYSA-N 2 1 210.281 0.461 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000583690073 357120584 /nfs/dbraw/zinc/12/05/84/357120584.db2.gz CCILBFTZRXJUSY-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000583690075 357121041 /nfs/dbraw/zinc/12/10/41/357121041.db2.gz CCILBFTZRXJUSY-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381271 538814540 /nfs/dbraw/zinc/81/45/40/538814540.db2.gz MXLRDVYYPUVTHL-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392840027 357245481 /nfs/dbraw/zinc/24/54/81/357245481.db2.gz RCLGNWFXNFAMLW-GFCCVEGCSA-N 2 1 237.347 0.507 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392877635 357261553 /nfs/dbraw/zinc/26/15/53/357261553.db2.gz MVEFROQSZZVHQU-JTQLQIEISA-N 2 1 211.309 0.102 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392958974 357264157 /nfs/dbraw/zinc/26/41/57/357264157.db2.gz OIUGOQPCXQTJKE-UHFFFAOYSA-N 2 1 225.336 0.364 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393983661 357313066 /nfs/dbraw/zinc/31/30/66/357313066.db2.gz VFMIMIPPFWPKEC-MNOVXSKESA-N 2 1 232.368 0.296 20 0 BCADMP OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000582546879 357331560 /nfs/dbraw/zinc/33/15/60/357331560.db2.gz QNMCRQQFCBCASX-TUAOUCFPSA-N 2 1 228.336 0.116 20 0 BCADMP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408515 357405671 /nfs/dbraw/zinc/40/56/71/357405671.db2.gz YVTXJHWIHXAAGY-NEPJUHHUSA-N 2 1 243.395 0.371 20 0 BCADMP Nc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000582846497 357415062 /nfs/dbraw/zinc/41/50/62/357415062.db2.gz QPCOSORCDOLZFG-ZDUSSCGKSA-N 2 1 235.331 0.818 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)O ZINC000395368760 357432760 /nfs/dbraw/zinc/43/27/60/357432760.db2.gz MLGIIGVHEHMXNT-JLLWLGSASA-N 2 1 230.352 0.191 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)O ZINC000395368760 357432765 /nfs/dbraw/zinc/43/27/65/357432765.db2.gz MLGIIGVHEHMXNT-JLLWLGSASA-N 2 1 230.352 0.191 20 0 BCADMP C[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000583041599 357462741 /nfs/dbraw/zinc/46/27/41/357462741.db2.gz LADOKRSHBFNJMZ-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000583091161 357478405 /nfs/dbraw/zinc/47/84/05/357478405.db2.gz JAZCRBKYMJFWSK-HTQZYQBOSA-N 2 1 235.278 0.227 20 0 BCADMP CCCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178300 357552712 /nfs/dbraw/zinc/55/27/12/357552712.db2.gz SOUIKMMBSMRBST-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC(C)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178484 357552953 /nfs/dbraw/zinc/55/29/53/357552953.db2.gz FUBNUMPKDRUQOG-GFCCVEGCSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@H](CCO)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397768986 357683255 /nfs/dbraw/zinc/68/32/55/357683255.db2.gz KJWBHORGWAMXBX-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CCO)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397768986 357683256 /nfs/dbraw/zinc/68/32/56/357683256.db2.gz KJWBHORGWAMXBX-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000583273626 357791788 /nfs/dbraw/zinc/79/17/88/357791788.db2.gz WIMCFCXPSJPELI-JOYOIKCWSA-N 2 1 225.336 0.147 20 0 BCADMP CC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000583273626 357791793 /nfs/dbraw/zinc/79/17/93/357791793.db2.gz WIMCFCXPSJPELI-JOYOIKCWSA-N 2 1 225.336 0.147 20 0 BCADMP COC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000234780477 357829348 /nfs/dbraw/zinc/82/93/48/357829348.db2.gz AFRWYXMFIYRWMM-LBPRGKRZSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170886 134224470 /nfs/dbraw/zinc/22/44/70/134224470.db2.gz ARMKGDSNDKKUJS-MNOVXSKESA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170886 134224471 /nfs/dbraw/zinc/22/44/71/134224471.db2.gz ARMKGDSNDKKUJS-MNOVXSKESA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170879 134224809 /nfs/dbraw/zinc/22/48/09/134224809.db2.gz ARMKGDSNDKKUJS-GHMZBOCLSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170879 134224810 /nfs/dbraw/zinc/22/48/10/134224810.db2.gz ARMKGDSNDKKUJS-GHMZBOCLSA-N 2 1 222.336 0.979 20 0 BCADMP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000235359668 357866804 /nfs/dbraw/zinc/86/68/04/357866804.db2.gz IXQMZZOYVCLSAY-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP O=C1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000168572281 134226919 /nfs/dbraw/zinc/22/69/19/134226919.db2.gz QHMAEPNGKSNXPF-LBPRGKRZSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[N@H+]1C ZINC000399068252 357895038 /nfs/dbraw/zinc/89/50/38/357895038.db2.gz MZBKUDXFLSFRLO-YUSALJHKSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@H](O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398468851 357886225 /nfs/dbraw/zinc/88/62/25/357886225.db2.gz DLGYQUNWVLEZID-QWHCGFSZSA-N 2 1 244.379 0.582 20 0 BCADMP CC[C@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398468851 357886228 /nfs/dbraw/zinc/88/62/28/357886228.db2.gz DLGYQUNWVLEZID-QWHCGFSZSA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000398645750 357889057 /nfs/dbraw/zinc/88/90/57/357889057.db2.gz WYLVDWMINFGXIN-NTZNESFSSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000398645750 357889059 /nfs/dbraw/zinc/88/90/59/357889059.db2.gz WYLVDWMINFGXIN-NTZNESFSSA-N 2 1 244.379 0.438 20 0 BCADMP CC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]C1 ZINC000399232686 357899668 /nfs/dbraw/zinc/89/96/68/357899668.db2.gz GNMFUAMGGQBELF-JTQLQIEISA-N 2 1 237.347 0.196 20 0 BCADMP [NH3+]CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322164 357904169 /nfs/dbraw/zinc/90/41/69/357904169.db2.gz WDCSESGFVNQUCB-LLVKDONJSA-N 3 1 227.352 0.023 20 0 BCADMP [NH3+]CCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322164 357904170 /nfs/dbraw/zinc/90/41/70/357904170.db2.gz WDCSESGFVNQUCB-LLVKDONJSA-N 2 1 227.352 0.023 20 0 BCADMP OC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000583747867 357933153 /nfs/dbraw/zinc/93/31/53/357933153.db2.gz HXQYZRBKWDTBPL-LLVKDONJSA-N 2 1 224.348 0.975 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000584533168 358042836 /nfs/dbraw/zinc/04/28/36/358042836.db2.gz SOPWICLELCBBSQ-NSHDSACASA-N 2 1 249.362 0.753 20 0 BCADMP CCC[N@H+](CC(=O)NC)C1CC[NH2+]CC1 ZINC000037469598 358070517 /nfs/dbraw/zinc/07/05/17/358070517.db2.gz VXVKXAHQKGHEHG-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C1CC[NH2+]CC1 ZINC000037469598 358070520 /nfs/dbraw/zinc/07/05/20/358070520.db2.gz VXVKXAHQKGHEHG-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[NH3+] ZINC000168927655 134248221 /nfs/dbraw/zinc/24/82/21/134248221.db2.gz IYHHZVCEUGEVAL-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CO[C@]1(C[NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000160323835 358076298 /nfs/dbraw/zinc/07/62/98/358076298.db2.gz ASUCCGIYZIJKOO-LBPRGKRZSA-N 2 1 239.319 0.587 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)NC)CC1 ZINC000640018284 358080351 /nfs/dbraw/zinc/08/03/51/358080351.db2.gz SSRJHUBOECJWID-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000086068377 358209181 /nfs/dbraw/zinc/20/91/81/358209181.db2.gz UVGQOIGIFNNDDD-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624537 358244674 /nfs/dbraw/zinc/24/46/74/358244674.db2.gz USAAKIFCVMZVJH-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000226635896 358342618 /nfs/dbraw/zinc/34/26/18/358342618.db2.gz SFSBBDOXYZOISZ-STQMWFEESA-N 2 1 241.379 0.248 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@@H]([NH3+])C1 ZINC000227089507 358348829 /nfs/dbraw/zinc/34/88/29/358348829.db2.gz UATBYGFJDWXRRU-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000044538749 358389290 /nfs/dbraw/zinc/38/92/90/358389290.db2.gz OGDTZUNTFXOYIE-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000044538749 358389291 /nfs/dbraw/zinc/38/92/91/358389291.db2.gz OGDTZUNTFXOYIE-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538971 358390773 /nfs/dbraw/zinc/39/07/73/358390773.db2.gz ORXBUXDQHXYJHM-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538929 358390979 /nfs/dbraw/zinc/39/09/79/358390979.db2.gz YRRBAEBKCVGKKH-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726850 358392315 /nfs/dbraw/zinc/39/23/15/358392315.db2.gz JDWJJYVBOWIYMG-NSHDSACASA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044752355 358393109 /nfs/dbraw/zinc/39/31/09/358393109.db2.gz PRLICXQLUJAGHF-JTQLQIEISA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948566 358412687 /nfs/dbraw/zinc/41/26/87/358412687.db2.gz XSZFDUMJWPOJSW-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948566 358412691 /nfs/dbraw/zinc/41/26/91/358412691.db2.gz XSZFDUMJWPOJSW-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CO[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991050 358420873 /nfs/dbraw/zinc/42/08/73/358420873.db2.gz CYVDYUQFNDELQS-OLZOCXBDSA-N 2 1 241.379 0.248 20 0 BCADMP COC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427570 358437159 /nfs/dbraw/zinc/43/71/59/358437159.db2.gz DFQKODREZNSWOO-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000086270765 358567117 /nfs/dbraw/zinc/56/71/17/358567117.db2.gz DWYSSELZBUHJKG-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC1(CNC(=O)[C@H]2CSC[NH2+]2)CC[NH2+]CC1 ZINC000129972652 358602931 /nfs/dbraw/zinc/60/29/31/358602931.db2.gz FJUYLKVAKUQMER-SECBINFHSA-N 2 1 243.376 0.155 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132930631 358740366 /nfs/dbraw/zinc/74/03/66/358740366.db2.gz BFDMCUGFKJVUTR-MXWKQRLJSA-N 2 1 227.352 0.713 20 0 BCADMP c1nc2n(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000578324147 366513142 /nfs/dbraw/zinc/51/31/42/366513142.db2.gz WKVHSJYGZLBXDF-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP c1nc2n(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000578324147 366513148 /nfs/dbraw/zinc/51/31/48/366513148.db2.gz WKVHSJYGZLBXDF-UHFFFAOYSA-N 2 1 235.335 0.483 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931449 358921539 /nfs/dbraw/zinc/92/15/39/358921539.db2.gz MQDDIDPOWSNXDI-ONGXEEELSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000379605833 359565699 /nfs/dbraw/zinc/56/56/99/359565699.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000379605833 359565702 /nfs/dbraw/zinc/56/57/02/359565702.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C ZINC000379605833 359565705 /nfs/dbraw/zinc/56/57/05/359565705.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000379605833 359565695 /nfs/dbraw/zinc/56/56/95/359565695.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CNC(=O)CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000580461899 359569008 /nfs/dbraw/zinc/56/90/08/359569008.db2.gz JGWREJAZYIZDBN-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP CNC(=O)CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000580461899 359569010 /nfs/dbraw/zinc/56/90/10/359569010.db2.gz JGWREJAZYIZDBN-UHFFFAOYSA-N 2 1 238.335 0.421 20 0 BCADMP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854437 202290622 /nfs/dbraw/zinc/29/06/22/202290622.db2.gz KLCNMKGAXSWLIT-CHWSQXEVSA-N 2 1 242.363 0.743 20 0 BCADMP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854437 202290626 /nfs/dbraw/zinc/29/06/26/202290626.db2.gz KLCNMKGAXSWLIT-CHWSQXEVSA-N 2 1 242.363 0.743 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCn1ccnc1 ZINC000087472569 366600517 /nfs/dbraw/zinc/60/05/17/366600517.db2.gz DOLAUWOSXROMMX-UHFFFAOYSA-N 2 1 210.325 0.815 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000578749970 366638209 /nfs/dbraw/zinc/63/82/09/366638209.db2.gz UUHSYAIZGIPWTP-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP O=C(C1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000517375045 259514794 /nfs/dbraw/zinc/51/47/94/259514794.db2.gz FUUWYSQAGDKKGN-SECBINFHSA-N 2 1 247.289 0.052 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006200 200825221 /nfs/dbraw/zinc/82/52/21/200825221.db2.gz PXYYWBVIHAAXGS-GMTAPVOTSA-N 2 1 242.367 0.458 20 0 BCADMP [NH3+]CCCOCC[NH2+]Cc1nccs1 ZINC000629398733 361048617 /nfs/dbraw/zinc/04/86/17/361048617.db2.gz HCDGWGYGSJLIKO-UHFFFAOYSA-N 2 1 215.322 0.598 20 0 BCADMP CCCN1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398257 361049146 /nfs/dbraw/zinc/04/91/46/361049146.db2.gz PVQVRRJYJBRVCU-UHFFFAOYSA-N 2 1 243.395 0.816 20 0 BCADMP CCC[NH+]1CCC(NCCOCCC[NH3+])CC1 ZINC000629398257 361049150 /nfs/dbraw/zinc/04/91/50/361049150.db2.gz PVQVRRJYJBRVCU-UHFFFAOYSA-N 2 1 243.395 0.816 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629405900 361053991 /nfs/dbraw/zinc/05/39/91/361053991.db2.gz XHNCYPJOWKGGDH-STQMWFEESA-N 3 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629405900 361053997 /nfs/dbraw/zinc/05/39/97/361053997.db2.gz XHNCYPJOWKGGDH-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629405900 361054001 /nfs/dbraw/zinc/05/40/01/361054001.db2.gz XHNCYPJOWKGGDH-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000629408894 361057650 /nfs/dbraw/zinc/05/76/50/361057650.db2.gz AXYINMFMNVBZLU-AXFHLTTASA-N 2 1 209.337 0.563 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000629408943 361058591 /nfs/dbraw/zinc/05/85/91/361058591.db2.gz DABCFPYVAVJJSH-UMNHJUIQSA-N 2 1 209.337 0.421 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[N@H+]2C1 ZINC000157432708 361082367 /nfs/dbraw/zinc/08/23/67/361082367.db2.gz OMHPFRBJLVWDAJ-QJPTWQEYSA-N 2 1 209.337 0.565 20 0 BCADMP Nc1ncccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000629511607 361105732 /nfs/dbraw/zinc/10/57/32/361105732.db2.gz KAXIMVXQVNCIOL-SECBINFHSA-N 2 1 206.293 0.444 20 0 BCADMP Nc1ncccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629511607 361105735 /nfs/dbraw/zinc/10/57/35/361105735.db2.gz KAXIMVXQVNCIOL-SECBINFHSA-N 2 1 206.293 0.444 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629510369 361108348 /nfs/dbraw/zinc/10/83/48/361108348.db2.gz RCALDACDJRCILH-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629510369 361108353 /nfs/dbraw/zinc/10/83/53/361108353.db2.gz RCALDACDJRCILH-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000629516445 361114146 /nfs/dbraw/zinc/11/41/46/361114146.db2.gz GAIXHRMQGPTNPY-GXSJLCMTSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000629516445 361114148 /nfs/dbraw/zinc/11/41/48/361114148.db2.gz GAIXHRMQGPTNPY-GXSJLCMTSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccnc1N ZINC000629516503 361114456 /nfs/dbraw/zinc/11/44/56/361114456.db2.gz ILZYWBZVCGVBII-ZJUUUORDSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000629516543 361115467 /nfs/dbraw/zinc/11/54/67/361115467.db2.gz JUOJRSAUIYVFKN-NWDGAFQWSA-N 2 1 242.363 0.851 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629528494 361137348 /nfs/dbraw/zinc/13/73/48/361137348.db2.gz AMYXYVDGDCGVHG-NWDGAFQWSA-N 3 1 229.368 0.295 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000629528494 361137351 /nfs/dbraw/zinc/13/73/51/361137351.db2.gz AMYXYVDGDCGVHG-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP [NH3+]C1(C(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000378200065 181324317 /nfs/dbraw/zinc/32/43/17/181324317.db2.gz CFEQRJCOHSBQIZ-UHFFFAOYSA-N 2 1 223.320 0.174 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)on1 ZINC000629530743 361145537 /nfs/dbraw/zinc/14/55/37/361145537.db2.gz POWKMQUYYMKOMQ-SNVBAGLBSA-N 2 1 227.308 0.870 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccnc2N)C1 ZINC000629530798 361145822 /nfs/dbraw/zinc/14/58/22/361145822.db2.gz ROOAACDFWGPCLQ-LBPRGKRZSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccnc2N)C1 ZINC000629530798 361145823 /nfs/dbraw/zinc/14/58/23/361145823.db2.gz ROOAACDFWGPCLQ-LBPRGKRZSA-N 2 1 220.320 0.835 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000629531362 361149233 /nfs/dbraw/zinc/14/92/33/361149233.db2.gz IIZSIOVCFMAWIK-NWDGAFQWSA-N 2 1 229.368 0.472 20 0 BCADMP C[NH2+]CCOCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629531362 361149236 /nfs/dbraw/zinc/14/92/36/361149236.db2.gz IIZSIOVCFMAWIK-NWDGAFQWSA-N 2 1 229.368 0.472 20 0 BCADMP O=c1ccc(C[NH2+]CCC[NH+]2CCC2)c[nH]1 ZINC000631105313 361151693 /nfs/dbraw/zinc/15/16/93/361151693.db2.gz SKWRSIWYRGPZMS-UHFFFAOYSA-N 2 1 221.304 0.973 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCC[NH2+]1 ZINC000629532625 361154757 /nfs/dbraw/zinc/15/47/57/361154757.db2.gz KDAJVOSNJMKJHV-UPJWGTAASA-N 2 1 241.379 0.437 20 0 BCADMP C[N@@H+](CCOC1CCOCC1)C1CC([NH3+])C1 ZINC000629532865 361155920 /nfs/dbraw/zinc/15/59/20/361155920.db2.gz WZJNJMVSRZOYAN-UHFFFAOYSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000158589355 361205198 /nfs/dbraw/zinc/20/51/98/361205198.db2.gz NFEATJYFRUDVGC-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637382 361206485 /nfs/dbraw/zinc/20/64/85/361206485.db2.gz RNIOBQQSIHGYID-TUAOUCFPSA-N 2 1 212.337 0.974 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000579111031 366713158 /nfs/dbraw/zinc/71/31/58/366713158.db2.gz QXFZPWWDMLSOGL-PWSUYJOCSA-N 2 1 241.335 0.425 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000067573567 370685334 /nfs/dbraw/zinc/68/53/34/370685334.db2.gz RBURLDRLOKYMDG-UHFFFAOYSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]([NH3+])CC[NH2+]C1CCN(C2CC2)CC1 ZINC000622044791 370674217 /nfs/dbraw/zinc/67/42/17/370674217.db2.gz SPDXQRKJYPXNSD-JTQLQIEISA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000622045391 370680063 /nfs/dbraw/zinc/68/00/63/370680063.db2.gz QYOVQNXLTALIMF-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000622045391 370680065 /nfs/dbraw/zinc/68/00/65/370680065.db2.gz QYOVQNXLTALIMF-TUAOUCFPSA-N 3 1 211.353 0.940 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000622045391 370680071 /nfs/dbraw/zinc/68/00/71/370680071.db2.gz QYOVQNXLTALIMF-TUAOUCFPSA-N 3 1 211.353 0.940 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC(C)(C)C[NH3+] ZINC000428915351 201050350 /nfs/dbraw/zinc/05/03/50/201050350.db2.gz JAKCLDPSKYAFQL-AOOOYVTPSA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000429132793 201070041 /nfs/dbraw/zinc/07/00/41/201070041.db2.gz FMIUTMAJBGWRJN-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCSCC1 ZINC000428955513 201052444 /nfs/dbraw/zinc/05/24/44/201052444.db2.gz KZKVFBLHWCRQFU-JTQLQIEISA-N 2 1 245.392 0.102 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429085518 201065666 /nfs/dbraw/zinc/06/56/66/201065666.db2.gz ZNONNEOFXVWFCN-AXFHLTTASA-N 2 1 225.336 0.419 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429167780 201077024 /nfs/dbraw/zinc/07/70/24/201077024.db2.gz YQRPDQRAKPQQSN-TUAOUCFPSA-N 2 1 241.379 0.959 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000429289534 201094076 /nfs/dbraw/zinc/09/40/76/201094076.db2.gz BZEWFNDIAVBHGW-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000429289533 201094879 /nfs/dbraw/zinc/09/48/79/201094879.db2.gz BZEWFNDIAVBHGW-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000429313931 201099927 /nfs/dbraw/zinc/09/99/27/201099927.db2.gz GYEMARYCCQKBSY-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429657903 201123116 /nfs/dbraw/zinc/12/31/16/201123116.db2.gz NCHPYLDGSDTYQC-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429650927 201123377 /nfs/dbraw/zinc/12/33/77/201123377.db2.gz QVCVOVFLWWTBPF-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629540165 361414138 /nfs/dbraw/zinc/41/41/38/361414138.db2.gz UULOKZPHONCQEM-NEPJUHHUSA-N 2 1 229.368 0.601 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000629540165 361414139 /nfs/dbraw/zinc/41/41/39/361414139.db2.gz UULOKZPHONCQEM-NEPJUHHUSA-N 2 1 229.368 0.601 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(C)(C)n1cncn1 ZINC000629544285 361420787 /nfs/dbraw/zinc/42/07/87/361420787.db2.gz IWVKOYPATGFSJA-GARJFASQSA-N 2 1 237.351 0.742 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579475457 366823882 /nfs/dbraw/zinc/82/38/82/366823882.db2.gz VTYPWSVMABGRHO-HBNTYKKESA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579475455 366823947 /nfs/dbraw/zinc/82/39/47/366823947.db2.gz VTYPWSVMABGRHO-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000629555062 361435538 /nfs/dbraw/zinc/43/55/38/361435538.db2.gz QTZFGUMLBZWQTJ-WISYIIOYSA-N 2 1 212.337 0.999 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000629555063 361435882 /nfs/dbraw/zinc/43/58/82/361435882.db2.gz QTZFGUMLBZWQTJ-WYUUTHIRSA-N 2 1 212.337 0.999 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541604 361416676 /nfs/dbraw/zinc/41/66/76/361416676.db2.gz RVJVSKZFMJTSRG-STQMWFEESA-N 3 1 243.395 0.672 20 0 BCADMP CCN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541604 361416679 /nfs/dbraw/zinc/41/66/79/361416679.db2.gz RVJVSKZFMJTSRG-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542118 361418049 /nfs/dbraw/zinc/41/80/49/361418049.db2.gz YPCNFOHLKGZUPQ-WHOHXGKFSA-N 2 1 211.353 0.667 20 0 BCADMP CCN(CC)C(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000629569081 361460446 /nfs/dbraw/zinc/46/04/46/361460446.db2.gz AFZUIAPEGDIVSS-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000629569081 361460452 /nfs/dbraw/zinc/46/04/52/361460452.db2.gz AFZUIAPEGDIVSS-UHFFFAOYSA-N 2 1 245.367 0.023 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1ccno1 ZINC000629571819 361463818 /nfs/dbraw/zinc/46/38/18/361463818.db2.gz RLVTWBABYNNUGK-UHFFFAOYSA-N 2 1 213.281 0.342 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccno1 ZINC000629571819 361463820 /nfs/dbraw/zinc/46/38/20/361463820.db2.gz RLVTWBABYNNUGK-UHFFFAOYSA-N 2 1 213.281 0.342 20 0 BCADMP O[C@H](C[NH2+]C1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000629576675 361468062 /nfs/dbraw/zinc/46/80/62/361468062.db2.gz VLSATMVWLHPVNC-SNVBAGLBSA-N 2 1 234.290 0.830 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430940647 201159385 /nfs/dbraw/zinc/15/93/85/201159385.db2.gz QELDXBAKVMEJLI-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594189 361485183 /nfs/dbraw/zinc/48/51/83/361485183.db2.gz MBVMIQWFWSPUAS-BETUJISGSA-N 2 1 239.363 0.396 20 0 BCADMP CC[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+](C)C ZINC000629612775 361499421 /nfs/dbraw/zinc/49/94/21/361499421.db2.gz HOSPDXQRSVPEDG-CMPLNLGQSA-N 2 1 245.342 0.487 20 0 BCADMP Cn1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000629649635 361545894 /nfs/dbraw/zinc/54/58/94/361545894.db2.gz XOLTVWGKGHZWRN-LBPRGKRZSA-N 2 1 223.320 0.493 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000629653792 361554171 /nfs/dbraw/zinc/55/41/71/361554171.db2.gz NRYGZPWKOPCJBP-GFCCVEGCSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000629653792 361554177 /nfs/dbraw/zinc/55/41/77/361554177.db2.gz NRYGZPWKOPCJBP-GFCCVEGCSA-N 2 1 229.368 0.154 20 0 BCADMP CC(C)n1cc(C[N@@H+](C)CCOCC[NH3+])cn1 ZINC000629664762 361595476 /nfs/dbraw/zinc/59/54/76/361595476.db2.gz RDXMIRJEHUBGBN-UHFFFAOYSA-N 2 1 240.351 0.871 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)COC ZINC000153798552 201251173 /nfs/dbraw/zinc/25/11/73/201251173.db2.gz GRUHGYLQFZYKMN-LLVKDONJSA-N 2 1 218.341 0.579 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241240 201256930 /nfs/dbraw/zinc/25/69/30/201256930.db2.gz SRMQPKNMVFHMRC-LBPRGKRZSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236783 201258217 /nfs/dbraw/zinc/25/82/17/201258217.db2.gz KRAQMWARQOSHDK-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCOC1 ZINC000154352446 201276196 /nfs/dbraw/zinc/27/61/96/201276196.db2.gz DKFPZIWBPCYLKN-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@H+](CC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435626787 201278775 /nfs/dbraw/zinc/27/87/75/201278775.db2.gz POOJHOZVJDIIEJ-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@@H+](CC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435626787 201278777 /nfs/dbraw/zinc/27/87/77/201278777.db2.gz POOJHOZVJDIIEJ-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000435879626 201291642 /nfs/dbraw/zinc/29/16/42/201291642.db2.gz DPWWMXARLULBEX-IUCAKERBSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000435879626 201291645 /nfs/dbraw/zinc/29/16/45/201291645.db2.gz DPWWMXARLULBEX-IUCAKERBSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000435879410 201292668 /nfs/dbraw/zinc/29/26/68/201292668.db2.gz KBUKRTKJQDUOSX-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CC[C@H]1CN(CCC[NH2+]C)CC[N@H+]1CCOC ZINC000435872543 201292833 /nfs/dbraw/zinc/29/28/33/201292833.db2.gz PIJHNPLQJANHSF-ZDUSSCGKSA-N 2 1 243.395 0.639 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000435881370 201293361 /nfs/dbraw/zinc/29/33/61/201293361.db2.gz USFBVLMCOOSGDQ-LLVKDONJSA-N 2 1 223.324 0.525 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000435881370 201293365 /nfs/dbraw/zinc/29/33/65/201293365.db2.gz USFBVLMCOOSGDQ-LLVKDONJSA-N 2 1 223.324 0.525 20 0 BCADMP CCCC(=O)N[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435874006 201293441 /nfs/dbraw/zinc/29/34/41/201293441.db2.gz YSJDXRPQENIHCZ-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CCCC(=O)N[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000435874006 201293444 /nfs/dbraw/zinc/29/34/44/201293444.db2.gz YSJDXRPQENIHCZ-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000435879888 201293669 /nfs/dbraw/zinc/29/36/69/201293669.db2.gz GCFXFLPIMPYKHZ-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]CCCN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000435879888 201293672 /nfs/dbraw/zinc/29/36/72/201293672.db2.gz GCFXFLPIMPYKHZ-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CCC[NH2+]C)C1 ZINC000435882897 201295016 /nfs/dbraw/zinc/29/50/16/201295016.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 2 1 213.369 0.870 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579482923 366827877 /nfs/dbraw/zinc/82/78/77/366827877.db2.gz KCYMSUUWPPUYEL-OUAUKWLOSA-N 2 1 232.393 0.783 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251445 363872967 /nfs/dbraw/zinc/87/29/67/363872967.db2.gz LCSALVYNLTUJQJ-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000094295251 487527758 /nfs/dbraw/zinc/52/77/58/487527758.db2.gz ZOMMHFKUKUVEOP-SNVBAGLBSA-N 2 1 237.347 0.611 20 0 BCADMP [NH3+]CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000083883656 181351447 /nfs/dbraw/zinc/35/14/47/181351447.db2.gz CYDVKLRTYKWPQD-UHFFFAOYSA-N 2 1 233.315 0.120 20 0 BCADMP [NH3+]CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000083883656 181351450 /nfs/dbraw/zinc/35/14/50/181351450.db2.gz CYDVKLRTYKWPQD-UHFFFAOYSA-N 2 1 233.315 0.120 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111937 541310213 /nfs/dbraw/zinc/31/02/13/541310213.db2.gz HBLHHICKVRLEQO-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332036625 181358203 /nfs/dbraw/zinc/35/82/03/181358203.db2.gz SUWZQBHLVDHWAC-IUCAKERBSA-N 2 1 221.295 0.830 20 0 BCADMP CC[NH+](CC)Cc1cn(C[C@H](C)[NH3+])nn1 ZINC000630591917 364306108 /nfs/dbraw/zinc/30/61/08/364306108.db2.gz KJKNRNMVBBXQOC-VIFPVBQESA-N 2 1 211.313 0.467 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398972658 364400848 /nfs/dbraw/zinc/40/08/48/364400848.db2.gz XELDRAKQWDYBJB-OUAUKWLOSA-N 2 1 200.326 0.999 20 0 BCADMP COC[C@H](C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398972660 364401130 /nfs/dbraw/zinc/40/11/30/364401130.db2.gz XELDRAKQWDYBJB-VWYCJHECSA-N 2 1 200.326 0.999 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000579540485 366849960 /nfs/dbraw/zinc/84/99/60/366849960.db2.gz YLSSVYRDZFJLPL-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000579540485 366849962 /nfs/dbraw/zinc/84/99/62/366849962.db2.gz YLSSVYRDZFJLPL-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000579540485 366849970 /nfs/dbraw/zinc/84/99/70/366849970.db2.gz YLSSVYRDZFJLPL-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)CC[N@H+]1C ZINC000630714837 364489654 /nfs/dbraw/zinc/48/96/54/364489654.db2.gz AZVDJUYMUDXORG-GRYCIOLGSA-N 2 1 241.379 0.783 20 0 BCADMP [NH3+]CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812715 181366443 /nfs/dbraw/zinc/36/64/43/181366443.db2.gz BTURQTDALOOOHM-JTQLQIEISA-N 2 1 211.309 0.032 20 0 BCADMP CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000615184433 364612756 /nfs/dbraw/zinc/61/27/56/364612756.db2.gz HTEVNUADDAVBFZ-QWRGUYRKSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000615184433 364612761 /nfs/dbraw/zinc/61/27/61/364612761.db2.gz HTEVNUADDAVBFZ-QWRGUYRKSA-N 2 1 237.347 0.243 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037023784 181368596 /nfs/dbraw/zinc/36/85/96/181368596.db2.gz MUROODXZZZXBHU-ZJUUUORDSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000615309115 364683754 /nfs/dbraw/zinc/68/37/54/364683754.db2.gz QJQISWSHBAUOTO-UTUOFQBUSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248135777 364627470 /nfs/dbraw/zinc/62/74/70/364627470.db2.gz PAQRGLIFFZRUPY-OUAUKWLOSA-N 2 1 200.326 0.830 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C(=O)CC(F)(F)C[NH3+] ZINC000573333840 364802306 /nfs/dbraw/zinc/80/23/06/364802306.db2.gz DVTNYXFAHISXRQ-MRVPVSSYSA-N 2 1 235.278 0.181 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000573499387 364848753 /nfs/dbraw/zinc/84/87/53/364848753.db2.gz TYYAWWDWFYKARQ-SRVKXCTJSA-N 3 1 229.368 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000573499387 364848756 /nfs/dbraw/zinc/84/87/56/364848756.db2.gz TYYAWWDWFYKARQ-SRVKXCTJSA-N 3 1 229.368 0.016 20 0 BCADMP [NH3+]Cc1noc([C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000573487706 364845511 /nfs/dbraw/zinc/84/55/11/364845511.db2.gz JUYWMRSDWOZLMD-SECBINFHSA-N 2 1 236.250 0.758 20 0 BCADMP COC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069730091 541386291 /nfs/dbraw/zinc/38/62/91/541386291.db2.gz VBCTXFZMPWCSAU-SECBINFHSA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1[NH3+] ZINC000328525603 364866301 /nfs/dbraw/zinc/86/63/01/364866301.db2.gz UAJRZGYJBNHKJC-NOOOWODRSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011764 541419535 /nfs/dbraw/zinc/41/95/35/541419535.db2.gz XZSIQTYFCCVSLF-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011764 541419539 /nfs/dbraw/zinc/41/95/39/541419539.db2.gz XZSIQTYFCCVSLF-AAEUAGOBSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000367966056 181377950 /nfs/dbraw/zinc/37/79/50/181377950.db2.gz XDZHFOMYGNAERF-NWDGAFQWSA-N 2 1 239.363 0.716 20 0 BCADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038399 364972407 /nfs/dbraw/zinc/97/24/07/364972407.db2.gz COGYRUHUXBZZOV-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168985870 365048245 /nfs/dbraw/zinc/04/82/45/365048245.db2.gz LOPRVBGGLHHJJQ-NXEZZACHSA-N 2 1 214.309 0.751 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC)C1 ZINC000574410801 365056275 /nfs/dbraw/zinc/05/62/75/365056275.db2.gz WEOLBUISWYKYIS-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC)C1 ZINC000574410801 365056282 /nfs/dbraw/zinc/05/62/82/365056282.db2.gz WEOLBUISWYKYIS-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(CC)C1 ZINC000574410801 365056287 /nfs/dbraw/zinc/05/62/87/365056287.db2.gz WEOLBUISWYKYIS-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(CC)C1 ZINC000574410801 365056294 /nfs/dbraw/zinc/05/62/94/365056294.db2.gz WEOLBUISWYKYIS-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000574281925 365027997 /nfs/dbraw/zinc/02/79/97/365027997.db2.gz YZYWPXZIPVMLGK-WISYIIOYSA-N 2 1 239.363 0.665 20 0 BCADMP [NH3+]CCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000094689017 181391718 /nfs/dbraw/zinc/39/17/18/181391718.db2.gz JRRIRHAGYLSNLM-UHFFFAOYSA-N 2 1 235.331 0.469 20 0 BCADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756804 365136896 /nfs/dbraw/zinc/13/68/96/365136896.db2.gz DKMJSQUARCHKIL-UPJWGTAASA-N 3 1 223.364 0.670 20 0 BCADMP C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756804 365136905 /nfs/dbraw/zinc/13/69/05/365136905.db2.gz DKMJSQUARCHKIL-UPJWGTAASA-N 2 1 223.364 0.670 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689500 365121481 /nfs/dbraw/zinc/12/14/81/365121481.db2.gz JVKNFRXJFDQDJP-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000574873419 365163762 /nfs/dbraw/zinc/16/37/62/365163762.db2.gz QTOZTPQYRMDMHK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444164619 193038186 /nfs/dbraw/zinc/03/81/86/193038186.db2.gz GDGSOMRTVARXLM-YPMHNXCESA-N 2 1 239.363 0.442 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000575069194 365187035 /nfs/dbraw/zinc/18/70/35/365187035.db2.gz QGQVUPQPJMZRGT-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000575069194 365187039 /nfs/dbraw/zinc/18/70/39/365187039.db2.gz QGQVUPQPJMZRGT-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000575069194 365187046 /nfs/dbraw/zinc/18/70/46/365187046.db2.gz QGQVUPQPJMZRGT-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000575069194 365187050 /nfs/dbraw/zinc/18/70/50/365187050.db2.gz QGQVUPQPJMZRGT-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000575069196 365187243 /nfs/dbraw/zinc/18/72/43/365187243.db2.gz QGQVUPQPJMZRGT-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000575069196 365187247 /nfs/dbraw/zinc/18/72/47/365187247.db2.gz QGQVUPQPJMZRGT-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000575069196 365187252 /nfs/dbraw/zinc/18/72/52/365187252.db2.gz QGQVUPQPJMZRGT-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000575069196 365187258 /nfs/dbraw/zinc/18/72/58/365187258.db2.gz QGQVUPQPJMZRGT-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP C[C@@H]1CCC[N@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000171378064 365194189 /nfs/dbraw/zinc/19/41/89/365194189.db2.gz SUAIQNJKABFRSS-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000171378064 365194196 /nfs/dbraw/zinc/19/41/96/365194196.db2.gz SUAIQNJKABFRSS-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444163830 193038882 /nfs/dbraw/zinc/03/88/82/193038882.db2.gz DOGWNCMLXLBPQZ-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000444172012 193039089 /nfs/dbraw/zinc/03/90/89/193039089.db2.gz YHJHWFQLSNPDQK-MWLCHTKSSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444179006 193039508 /nfs/dbraw/zinc/03/95/08/193039508.db2.gz CEOTZHNHRLMOPU-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444179006 193039511 /nfs/dbraw/zinc/03/95/11/193039511.db2.gz CEOTZHNHRLMOPU-MDZLAQPJSA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444188152 193040809 /nfs/dbraw/zinc/04/08/09/193040809.db2.gz KWYSITVMOPBUOV-SNVBAGLBSA-N 2 1 237.303 0.562 20 0 BCADMP CC[C@@H](CCO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379851733 365316933 /nfs/dbraw/zinc/31/69/33/365316933.db2.gz KNOMUHATHGGSFQ-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@@H](CCO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379851733 365316939 /nfs/dbraw/zinc/31/69/39/365316939.db2.gz KNOMUHATHGGSFQ-AAEUAGOBSA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@@H](CCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379851737 365317354 /nfs/dbraw/zinc/31/73/54/365317354.db2.gz KNOMUHATHGGSFQ-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379851737 365317355 /nfs/dbraw/zinc/31/73/55/365317355.db2.gz KNOMUHATHGGSFQ-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000575923540 365414961 /nfs/dbraw/zinc/41/49/61/365414961.db2.gz VLZIKTJCOHZRKN-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000575916361 365411825 /nfs/dbraw/zinc/41/18/25/365411825.db2.gz DVJQYVFIIZLJGA-QJPTWQEYSA-N 2 1 241.379 0.641 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989076 365436663 /nfs/dbraw/zinc/43/66/63/365436663.db2.gz NOONYBGDYKDEAC-NWDGAFQWSA-N 2 1 211.353 0.527 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602894 366901301 /nfs/dbraw/zinc/90/13/01/366901301.db2.gz XHGMVVNSVTXQRM-RYUDHWBXSA-N 3 1 229.368 0.018 20 0 BCADMP CC[C@]1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085027 541513632 /nfs/dbraw/zinc/51/36/32/541513632.db2.gz JWMVNTCQNAQVIO-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@]1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085027 541513634 /nfs/dbraw/zinc/51/36/34/541513634.db2.gz JWMVNTCQNAQVIO-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP COCCNCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000579733117 366997793 /nfs/dbraw/zinc/99/77/93/366997793.db2.gz FHELTUBREYSTPC-WDEREUQCSA-N 2 1 215.341 0.082 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CCCC[NH+](C)C ZINC000579769005 367003457 /nfs/dbraw/zinc/00/34/57/367003457.db2.gz GHDYLFBEQPXJBI-UHFFFAOYSA-N 2 1 229.368 0.786 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000579838408 367040632 /nfs/dbraw/zinc/04/06/32/367040632.db2.gz UWDMWCXBSKPXEB-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579838026 367041248 /nfs/dbraw/zinc/04/12/48/367041248.db2.gz DQAQLGPGDLKJOA-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579853767 367052810 /nfs/dbraw/zinc/05/28/10/367052810.db2.gz AKSXQTHWIKMLKA-RYUDHWBXSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000580841595 367185887 /nfs/dbraw/zinc/18/58/87/367185887.db2.gz UUXYYTYUFJYGRW-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000580841595 367185890 /nfs/dbraw/zinc/18/58/90/367185890.db2.gz UUXYYTYUFJYGRW-AGIUHOORSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000581012596 367235732 /nfs/dbraw/zinc/23/57/32/367235732.db2.gz ITKRTJJFOVWTLS-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](COC)C(C)C ZINC000380972279 367328675 /nfs/dbraw/zinc/32/86/75/367328675.db2.gz ATPJGMXCCCHBCY-NWDGAFQWSA-N 2 1 232.368 0.560 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](COC)C(C)C ZINC000380972279 367328677 /nfs/dbraw/zinc/32/86/77/367328677.db2.gz ATPJGMXCCCHBCY-NWDGAFQWSA-N 2 1 232.368 0.560 20 0 BCADMP C[C@@H](CCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381070509 367346627 /nfs/dbraw/zinc/34/66/27/367346627.db2.gz ODIMCRQERBDLPT-CMPLNLGQSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381070509 367346632 /nfs/dbraw/zinc/34/66/32/367346632.db2.gz ODIMCRQERBDLPT-CMPLNLGQSA-N 2 1 230.352 0.050 20 0 BCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000581190025 367288957 /nfs/dbraw/zinc/28/89/57/367288957.db2.gz PAIFZQHCBKOAJB-JSGCOSHPSA-N 2 1 249.358 0.364 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381209019 367364754 /nfs/dbraw/zinc/36/47/54/367364754.db2.gz GUXFKJSWXWHANX-PHIMTYICSA-N 2 1 226.320 0.479 20 0 BCADMP CC(C)OC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381209019 367364761 /nfs/dbraw/zinc/36/47/61/367364761.db2.gz GUXFKJSWXWHANX-PHIMTYICSA-N 2 1 226.320 0.479 20 0 BCADMP [NH3+]Cc1nc(C(=O)N[C@@H](C[NH3+])C2CC2)cs1 ZINC000581428269 367467165 /nfs/dbraw/zinc/46/71/65/367467165.db2.gz TXWITQPWSLVCOJ-ZETCQYMHSA-N 2 1 240.332 0.069 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719309 367449747 /nfs/dbraw/zinc/44/97/47/367449747.db2.gz LPLSZOFANWJADE-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719309 367449752 /nfs/dbraw/zinc/44/97/52/367449752.db2.gz LPLSZOFANWJADE-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)c1csc(C[NH3+])n1 ZINC000381746362 367453951 /nfs/dbraw/zinc/45/39/51/367453951.db2.gz QBBILPSIWIUZOB-LURJTMIESA-N 2 1 228.321 0.069 20 0 BCADMP COC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000382573798 367542436 /nfs/dbraw/zinc/54/24/36/367542436.db2.gz UALXQSMLZWWODP-ZDUSSCGKSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382965271 367575785 /nfs/dbraw/zinc/57/57/85/367575785.db2.gz PUVXNAKOQUIRLR-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000383302656 367612322 /nfs/dbraw/zinc/61/23/22/367612322.db2.gz HSQSWZAJXNQQNB-UWVGGRQHSA-N 2 1 239.363 0.726 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383301358 367612580 /nfs/dbraw/zinc/61/25/80/367612580.db2.gz HQKMKFLNNHYSPR-JQWIXIFHSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000383302658 367612717 /nfs/dbraw/zinc/61/27/17/367612717.db2.gz HSQSWZAJXNQQNB-ZJUUUORDSA-N 2 1 239.363 0.726 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383380113 367618649 /nfs/dbraw/zinc/61/86/49/367618649.db2.gz PQCFPKAZFCCEAV-SECBINFHSA-N 2 1 213.325 0.195 20 0 BCADMP CCOC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383794723 367654565 /nfs/dbraw/zinc/65/45/65/367654565.db2.gz RUGYSGSZCNZTCV-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CCOC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383794723 367654569 /nfs/dbraw/zinc/65/45/69/367654569.db2.gz RUGYSGSZCNZTCV-GFCCVEGCSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000384040516 367669696 /nfs/dbraw/zinc/66/96/96/367669696.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 1 246.395 0.903 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](C)CCCCO ZINC000384792933 367732945 /nfs/dbraw/zinc/73/29/45/367732945.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CCCCO ZINC000384792933 367732948 /nfs/dbraw/zinc/73/29/48/367732948.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCCO ZINC000384792933 367732954 /nfs/dbraw/zinc/73/29/54/367732954.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCO ZINC000384792933 367732960 /nfs/dbraw/zinc/73/29/60/367732960.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCCO ZINC000384792933 367732968 /nfs/dbraw/zinc/73/29/68/367732968.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCO ZINC000384792933 367732978 /nfs/dbraw/zinc/73/29/78/367732978.db2.gz YZCQEGKHUKFKTA-LLVKDONJSA-N 2 1 218.341 0.003 20 0 BCADMP CC/C=C/C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384824347 367737077 /nfs/dbraw/zinc/73/70/77/367737077.db2.gz FVFLVSVHVBNTJW-ZYOFXKKJSA-N 2 1 212.337 0.997 20 0 BCADMP CC/C=C/C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384824347 367737083 /nfs/dbraw/zinc/73/70/83/367737083.db2.gz FVFLVSVHVBNTJW-ZYOFXKKJSA-N 2 1 212.337 0.997 20 0 BCADMP CC/C=C\C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384824346 367737812 /nfs/dbraw/zinc/73/78/12/367737812.db2.gz FVFLVSVHVBNTJW-RXNFCKPNSA-N 2 1 212.337 0.997 20 0 BCADMP CC/C=C\C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384824346 367737819 /nfs/dbraw/zinc/73/78/19/367737819.db2.gz FVFLVSVHVBNTJW-RXNFCKPNSA-N 2 1 212.337 0.997 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000566206427 326005099 /nfs/dbraw/zinc/00/50/99/326005099.db2.gz KILIKXWBTUKCNF-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386094810 367911492 /nfs/dbraw/zinc/91/14/92/367911492.db2.gz ISMGDEBDQAKIJV-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)O ZINC000581892184 367882610 /nfs/dbraw/zinc/88/26/10/367882610.db2.gz DNEDZGLMHBOKQL-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)O ZINC000581892184 367882612 /nfs/dbraw/zinc/88/26/12/367882612.db2.gz DNEDZGLMHBOKQL-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000581892184 367882617 /nfs/dbraw/zinc/88/26/17/367882617.db2.gz DNEDZGLMHBOKQL-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000581892184 367882619 /nfs/dbraw/zinc/88/26/19/367882619.db2.gz DNEDZGLMHBOKQL-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386556140 367990840 /nfs/dbraw/zinc/99/08/40/367990840.db2.gz HYZRRFUERMGSIK-OPRDCNLKSA-N 2 1 213.325 0.371 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386482669 367980341 /nfs/dbraw/zinc/98/03/41/367980341.db2.gz SIHODQYCDHWVOF-XQQFMLRXSA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000386935715 368037117 /nfs/dbraw/zinc/03/71/17/368037117.db2.gz SNIDWNKOEMJOCO-SRVKXCTJSA-N 2 1 230.352 0.192 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000566351317 326036215 /nfs/dbraw/zinc/03/62/15/326036215.db2.gz TUTDEBUBODBALU-LBPRGKRZSA-N 2 1 242.363 0.459 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000566614113 326068090 /nfs/dbraw/zinc/06/80/90/326068090.db2.gz LGFHTRQDOOIWCB-TUAOUCFPSA-N 3 1 211.353 0.846 20 0 BCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)C1 ZINC000457128105 203009232 /nfs/dbraw/zinc/00/92/32/203009232.db2.gz SAAYVXKUUXSGRG-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)C1 ZINC000457128105 203009234 /nfs/dbraw/zinc/00/92/34/203009234.db2.gz SAAYVXKUUXSGRG-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(=O)NCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702787 368884094 /nfs/dbraw/zinc/88/40/94/368884094.db2.gz SZRKEZXHXNZYLA-UHFFFAOYSA-N 2 1 213.325 0.054 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631822334 368976154 /nfs/dbraw/zinc/97/61/54/368976154.db2.gz ZNWDNMJVARYKHA-OUAUKWLOSA-N 2 1 235.335 0.435 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000631822489 368978600 /nfs/dbraw/zinc/97/86/00/368978600.db2.gz FTWAOOVLEIHVTP-GXSJLCMTSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000631822489 368978605 /nfs/dbraw/zinc/97/86/05/368978605.db2.gz FTWAOOVLEIHVTP-GXSJLCMTSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000631822490 368979078 /nfs/dbraw/zinc/97/90/78/368979078.db2.gz FTWAOOVLEIHVTP-KOLCDFICSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000631822490 368979081 /nfs/dbraw/zinc/97/90/81/368979081.db2.gz FTWAOOVLEIHVTP-KOLCDFICSA-N 2 1 220.320 0.954 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823456 368982284 /nfs/dbraw/zinc/98/22/84/368982284.db2.gz FDFOJRNHSOAOMH-VXGBXAGGSA-N 2 1 249.362 0.839 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(N)s1 ZINC000309816884 326169649 /nfs/dbraw/zinc/16/96/49/326169649.db2.gz VKTQRAOGENWASG-JGVFFNPUSA-N 2 1 226.349 0.894 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623661815 369075813 /nfs/dbraw/zinc/07/58/13/369075813.db2.gz DRVICHOOIYLWGY-BJDJZHNGSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1C[NH3+] ZINC000631836999 369091439 /nfs/dbraw/zinc/09/14/39/369091439.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838041 369113244 /nfs/dbraw/zinc/11/32/44/369113244.db2.gz YVHGLLKMGYTBIX-MXWKQRLJSA-N 2 1 235.335 0.292 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000457747614 203097739 /nfs/dbraw/zinc/09/77/39/203097739.db2.gz VLWXWCKGZCDFEN-ZYHUDNBSSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000457747614 203097743 /nfs/dbraw/zinc/09/77/43/203097743.db2.gz VLWXWCKGZCDFEN-ZYHUDNBSSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631839733 369170432 /nfs/dbraw/zinc/17/04/32/369170432.db2.gz KEYOGEJKPGWXBZ-IJLUTSLNSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567613697 326229440 /nfs/dbraw/zinc/22/94/40/326229440.db2.gz JKZFIBJCTNAFAP-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567613697 326229443 /nfs/dbraw/zinc/22/94/43/326229443.db2.gz JKZFIBJCTNAFAP-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567613695 326229580 /nfs/dbraw/zinc/22/95/80/326229580.db2.gz JKZFIBJCTNAFAP-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567613695 326229582 /nfs/dbraw/zinc/22/95/82/326229582.db2.gz JKZFIBJCTNAFAP-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000631862268 369486073 /nfs/dbraw/zinc/48/60/73/369486073.db2.gz NMCJLPGFWAYSFK-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000631862268 369486074 /nfs/dbraw/zinc/48/60/74/369486074.db2.gz NMCJLPGFWAYSFK-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863396 369611333 /nfs/dbraw/zinc/61/13/33/369611333.db2.gz ZTUOPGBQOUEMBA-LPWJVIDDSA-N 2 1 239.363 0.271 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000631863396 369611334 /nfs/dbraw/zinc/61/13/34/369611334.db2.gz ZTUOPGBQOUEMBA-LPWJVIDDSA-N 2 1 239.363 0.271 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000619905057 369635474 /nfs/dbraw/zinc/63/54/74/369635474.db2.gz PUBPOVWZQFERCJ-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000619905057 369635475 /nfs/dbraw/zinc/63/54/75/369635475.db2.gz PUBPOVWZQFERCJ-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000567990592 326292720 /nfs/dbraw/zinc/29/27/20/326292720.db2.gz LQHSCEGQQQPWBA-LLVKDONJSA-N 2 1 222.336 0.948 20 0 BCADMP C[C@H](NC(=O)C1(N(C)C)CC1)c1nccn1C ZINC000620606975 369955924 /nfs/dbraw/zinc/95/59/24/369955924.db2.gz CJUXFRCESDQZHB-VIFPVBQESA-N 2 1 236.319 0.692 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH+](C)C ZINC000620624469 369967980 /nfs/dbraw/zinc/96/79/80/369967980.db2.gz WMFMPDDJLOWWPU-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453469 370045595 /nfs/dbraw/zinc/04/55/95/370045595.db2.gz LESSLMFHVHOEKD-SRVKXCTJSA-N 2 1 239.363 0.395 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697240 370117639 /nfs/dbraw/zinc/11/76/39/370117639.db2.gz GETTWJGLPJCIFQ-WHOHXGKFSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697240 370117641 /nfs/dbraw/zinc/11/76/41/370117641.db2.gz GETTWJGLPJCIFQ-WHOHXGKFSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH2+]1 ZINC000620903294 370050433 /nfs/dbraw/zinc/05/04/33/370050433.db2.gz LQNILUPVPFQVRJ-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843654 370135780 /nfs/dbraw/zinc/13/57/80/370135780.db2.gz DFDJBXITIMRTCS-RWMBFGLXSA-N 2 1 242.363 0.709 20 0 BCADMP Nc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000309551008 370225934 /nfs/dbraw/zinc/22/59/34/370225934.db2.gz KCXNQQVPDUGVQO-PHIMTYICSA-N 2 1 218.304 0.315 20 0 BCADMP Nc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000309551008 370225941 /nfs/dbraw/zinc/22/59/41/370225941.db2.gz KCXNQQVPDUGVQO-PHIMTYICSA-N 2 1 218.304 0.315 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621680654 370430033 /nfs/dbraw/zinc/43/00/33/370430033.db2.gz GHWNIJCBKTVENS-PSASIEDQSA-N 2 1 247.289 0.310 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690154 370439192 /nfs/dbraw/zinc/43/91/92/370439192.db2.gz QFQRTKJRZCUBLI-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784792 370537166 /nfs/dbraw/zinc/53/71/66/370537166.db2.gz VEIQCZOPVKQZQT-GMXVVIOVSA-N 2 1 237.347 0.420 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784792 370537170 /nfs/dbraw/zinc/53/71/70/370537170.db2.gz VEIQCZOPVKQZQT-GMXVVIOVSA-N 2 1 237.347 0.420 20 0 BCADMP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000313115363 370568133 /nfs/dbraw/zinc/56/81/33/370568133.db2.gz PRVOQQKMOLFPLU-AVGNSLFASA-N 2 1 244.379 0.581 20 0 BCADMP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000313115363 370568136 /nfs/dbraw/zinc/56/81/36/370568136.db2.gz PRVOQQKMOLFPLU-AVGNSLFASA-N 2 1 244.379 0.581 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000568528832 326363416 /nfs/dbraw/zinc/36/34/16/326363416.db2.gz VFNBDBKFEKWVAZ-NSHDSACASA-N 2 1 232.368 0.249 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000568528832 326363417 /nfs/dbraw/zinc/36/34/17/326363417.db2.gz VFNBDBKFEKWVAZ-NSHDSACASA-N 2 1 232.368 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)CO ZINC000568528832 326363419 /nfs/dbraw/zinc/36/34/19/326363419.db2.gz VFNBDBKFEKWVAZ-NSHDSACASA-N 2 1 232.368 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000568528832 326363422 /nfs/dbraw/zinc/36/34/22/326363422.db2.gz VFNBDBKFEKWVAZ-NSHDSACASA-N 2 1 232.368 0.249 20 0 BCADMP Cc1cccc(N2CCCO[C@@H](C[NH3+])C2)[nH+]1 ZINC000313388864 370583480 /nfs/dbraw/zinc/58/34/80/370583480.db2.gz TWVUNHOJIBTXPP-NSHDSACASA-N 2 1 221.304 0.944 20 0 BCADMP c1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082416893 370993824 /nfs/dbraw/zinc/99/38/24/370993824.db2.gz SWBNXZYDWIYTTP-TXEJJXNPSA-N 2 1 217.316 0.775 20 0 BCADMP CN(Cc1cnc[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000568782633 326377349 /nfs/dbraw/zinc/37/73/49/326377349.db2.gz WHMHKFOGEWJODJ-NSHDSACASA-N 2 1 208.309 0.841 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649216 371807918 /nfs/dbraw/zinc/80/79/18/371807918.db2.gz NVMGJNBNUSOCDH-PJXYFTJBSA-N 2 1 239.363 0.345 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631271312 372270265 /nfs/dbraw/zinc/27/02/65/372270265.db2.gz AEJMQCVBLPTIQD-YVECIDJPSA-N 2 1 240.347 0.353 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631271312 372270266 /nfs/dbraw/zinc/27/02/66/372270266.db2.gz AEJMQCVBLPTIQD-YVECIDJPSA-N 2 1 240.347 0.353 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000631823483 372600761 /nfs/dbraw/zinc/60/07/61/372600761.db2.gz FRPYSFNQNFVJGD-DCAQKATOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000631823483 372600766 /nfs/dbraw/zinc/60/07/66/372600766.db2.gz FRPYSFNQNFVJGD-DCAQKATOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)CCO1 ZINC000631823217 372600867 /nfs/dbraw/zinc/60/08/67/372600867.db2.gz ZAHDGMRYIWLAAQ-USZNOCQGSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)CCO1 ZINC000631823217 372600873 /nfs/dbraw/zinc/60/08/73/372600873.db2.gz ZAHDGMRYIWLAAQ-USZNOCQGSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631823508 372602173 /nfs/dbraw/zinc/60/21/73/372602173.db2.gz GIOJSSSNXMXXOV-DCAQKATOSA-N 2 1 235.335 0.435 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631824065 372589086 /nfs/dbraw/zinc/58/90/86/372589086.db2.gz VDIDRTMDJUPMAL-ONGXEEELSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631824065 372589094 /nfs/dbraw/zinc/58/90/94/372589094.db2.gz VDIDRTMDJUPMAL-ONGXEEELSA-N 2 1 220.320 0.954 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821148 372594591 /nfs/dbraw/zinc/59/45/91/372594591.db2.gz QHQIJVNBDSIJPD-VXGBXAGGSA-N 2 1 249.362 0.697 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631828818 372608974 /nfs/dbraw/zinc/60/89/74/372608974.db2.gz ZBQAKURCDQBBTH-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631828817 372609310 /nfs/dbraw/zinc/60/93/10/372609310.db2.gz ZBQAKURCDQBBTH-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631829316 372610296 /nfs/dbraw/zinc/61/02/96/372610296.db2.gz NFSVYCUHWOWEIH-OUAUKWLOSA-N 2 1 235.335 0.577 20 0 BCADMP C[N@H+](C[C@H]1CCc2ncnn21)CC(C)(C)[NH3+] ZINC000631829607 372610406 /nfs/dbraw/zinc/61/04/06/372610406.db2.gz VYPGZABJINOSHG-SECBINFHSA-N 2 1 223.324 0.435 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)CC(C)(C)[NH3+] ZINC000631829607 372610414 /nfs/dbraw/zinc/61/04/14/372610414.db2.gz VYPGZABJINOSHG-SECBINFHSA-N 2 1 223.324 0.435 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631829317 372611035 /nfs/dbraw/zinc/61/10/35/372611035.db2.gz NFSVYCUHWOWEIH-VWYCJHECSA-N 2 1 235.335 0.577 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC000631830407 372612788 /nfs/dbraw/zinc/61/27/88/372612788.db2.gz RCQCHTWVJSBFIX-LOWVWBTDSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000631830407 372612792 /nfs/dbraw/zinc/61/27/92/372612792.db2.gz RCQCHTWVJSBFIX-LOWVWBTDSA-N 2 1 247.346 0.579 20 0 BCADMP C[C@H]1C[C@@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859524 372658134 /nfs/dbraw/zinc/65/81/34/372658134.db2.gz BMTVRKKUNFICRQ-CMPLNLGQSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859524 372658138 /nfs/dbraw/zinc/65/81/38/372658138.db2.gz BMTVRKKUNFICRQ-CMPLNLGQSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859524 372658142 /nfs/dbraw/zinc/65/81/42/372658142.db2.gz BMTVRKKUNFICRQ-CMPLNLGQSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC000631859524 372658146 /nfs/dbraw/zinc/65/81/46/372658146.db2.gz BMTVRKKUNFICRQ-CMPLNLGQSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631837011 372625154 /nfs/dbraw/zinc/62/51/54/372625154.db2.gz LMGQVIOSZUEUMK-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836949 372625594 /nfs/dbraw/zinc/62/55/94/372625594.db2.gz KCDNXTGIEVPUGD-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840781 372638362 /nfs/dbraw/zinc/63/83/62/372638362.db2.gz DUXFULDTKKPYMU-RAIGVLPGSA-N 2 1 247.342 0.740 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840781 372638368 /nfs/dbraw/zinc/63/83/68/372638368.db2.gz DUXFULDTKKPYMU-RAIGVLPGSA-N 2 1 247.342 0.740 20 0 BCADMP C[C@H]1C[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000631841111 372638583 /nfs/dbraw/zinc/63/85/83/372638583.db2.gz YBICLHDWAHARBK-VHSXEESVSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000631841111 372638586 /nfs/dbraw/zinc/63/85/86/372638586.db2.gz YBICLHDWAHARBK-VHSXEESVSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852596 372652491 /nfs/dbraw/zinc/65/24/91/372652491.db2.gz XFCOCJFYSWSDTC-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP COC[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862366 372663201 /nfs/dbraw/zinc/66/32/01/372663201.db2.gz OOQAONCKXMRDHN-JTQLQIEISA-N 2 1 216.325 0.068 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890548 372686117 /nfs/dbraw/zinc/68/61/17/372686117.db2.gz QHFOHYLJZYIZOE-AGIUHOORSA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC ZINC000631890552 372686424 /nfs/dbraw/zinc/68/64/24/372686424.db2.gz QHFOHYLJZYIZOE-RWMBFGLXSA-N 2 1 242.363 0.722 20 0 BCADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000042170233 182026812 /nfs/dbraw/zinc/02/68/12/182026812.db2.gz CZJAVFMWBAHKMF-LLVKDONJSA-N 2 1 237.347 0.435 20 0 BCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[NH+](C)C ZINC000245397757 373274712 /nfs/dbraw/zinc/27/47/12/373274712.db2.gz QHLXFNIOFVZSIA-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C[NH+](C)C ZINC000245397757 373274721 /nfs/dbraw/zinc/27/47/21/373274721.db2.gz QHLXFNIOFVZSIA-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000381208038 374029225 /nfs/dbraw/zinc/02/92/25/374029225.db2.gz GPLOZHFOSNSRHH-SNVBAGLBSA-N 2 1 220.320 0.984 20 0 BCADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000381208038 374029231 /nfs/dbraw/zinc/02/92/31/374029231.db2.gz GPLOZHFOSNSRHH-SNVBAGLBSA-N 2 1 220.320 0.984 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634301012 374128831 /nfs/dbraw/zinc/12/88/31/374128831.db2.gz UCHAWUSODNOYIG-WDEREUQCSA-N 2 1 227.352 0.393 20 0 BCADMP COCCCOCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220392525 134306354 /nfs/dbraw/zinc/30/63/54/134306354.db2.gz WEKCQDJEPPBUAI-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCO)C[C@H]1C ZINC000336670371 170009481 /nfs/dbraw/zinc/00/94/81/170009481.db2.gz GJAIFTYDOFSICW-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCO)C[C@H]1C ZINC000336670371 170009482 /nfs/dbraw/zinc/00/94/82/170009482.db2.gz GJAIFTYDOFSICW-GHMZBOCLSA-N 2 1 200.326 0.783 20 0 BCADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(N)=O ZINC000173620824 206005634 /nfs/dbraw/zinc/00/56/34/206005634.db2.gz KUTWPCZNWXOBDA-NSHDSACASA-N 2 1 227.352 0.713 20 0 BCADMP O=C(NCc1cnc[nH]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353818476 182270032 /nfs/dbraw/zinc/27/00/32/182270032.db2.gz VUSIANPIOLUUKY-NWDGAFQWSA-N 2 1 248.330 0.662 20 0 BCADMP O=C(NCc1c[nH]cn1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354454377 182270143 /nfs/dbraw/zinc/27/01/43/182270143.db2.gz NIBMGQRGBCKPEI-JTQLQIEISA-N 2 1 245.286 0.800 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC000246678635 374285751 /nfs/dbraw/zinc/28/57/51/374285751.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000424129665 206033169 /nfs/dbraw/zinc/03/31/69/206033169.db2.gz GJVGWLNDALQWTP-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424381572 206038879 /nfs/dbraw/zinc/03/88/79/206038879.db2.gz RABJBWKWGFMBTL-VHSXEESVSA-N 3 1 235.322 0.948 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000044726730 182334146 /nfs/dbraw/zinc/33/41/46/182334146.db2.gz MNRZXWQSIHQOMO-GXSJLCMTSA-N 2 1 223.320 0.091 20 0 BCADMP OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360911591 183076841 /nfs/dbraw/zinc/07/68/41/183076841.db2.gz DRXOGGAONBCDEU-GRYCIOLGSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360911591 183076844 /nfs/dbraw/zinc/07/68/44/183076844.db2.gz DRXOGGAONBCDEU-GRYCIOLGSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360911591 183076846 /nfs/dbraw/zinc/07/68/46/183076846.db2.gz DRXOGGAONBCDEU-GRYCIOLGSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360911594 183077151 /nfs/dbraw/zinc/07/71/51/183077151.db2.gz DRXOGGAONBCDEU-WOPDTQHZSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360911594 183077152 /nfs/dbraw/zinc/07/71/52/183077152.db2.gz DRXOGGAONBCDEU-WOPDTQHZSA-N 2 1 210.321 0.395 20 0 BCADMP OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360911594 183077153 /nfs/dbraw/zinc/07/71/53/183077153.db2.gz DRXOGGAONBCDEU-WOPDTQHZSA-N 2 1 210.321 0.395 20 0 BCADMP OC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359225406 183125599 /nfs/dbraw/zinc/12/55/99/183125599.db2.gz SWNTWNQATIFRGL-LBPRGKRZSA-N 2 1 228.336 0.069 20 0 BCADMP O[C@@H](C[NH2+]Cc1cc[nH]c1)C[NH+]1CCCC1 ZINC000086251637 183179753 /nfs/dbraw/zinc/17/97/53/183179753.db2.gz XMBDZJOTAVLBFH-LBPRGKRZSA-N 2 1 223.320 0.561 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360816547 169068274 /nfs/dbraw/zinc/06/82/74/169068274.db2.gz HPMPJRPTZNDHGL-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360816546 169068494 /nfs/dbraw/zinc/06/84/94/169068494.db2.gz HPMPJRPTZNDHGL-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000336648617 169071189 /nfs/dbraw/zinc/07/11/89/169071189.db2.gz CSDBLAHNRKRJCY-VIFPVBQESA-N 2 1 201.314 0.039 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000309525239 169071617 /nfs/dbraw/zinc/07/16/17/169071617.db2.gz CJWXJHWILYMLLY-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341310603 169073075 /nfs/dbraw/zinc/07/30/75/169073075.db2.gz ZLFQUZRCIUOQGG-NSHDSACASA-N 2 1 229.368 0.642 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000359254188 169073116 /nfs/dbraw/zinc/07/31/16/169073116.db2.gz SPDHKLVJAWEIJR-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357421223 169076768 /nfs/dbraw/zinc/07/67/68/169076768.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357421223 169076770 /nfs/dbraw/zinc/07/67/70/169076770.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357421223 169076772 /nfs/dbraw/zinc/07/67/72/169076772.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000356888837 169066817 /nfs/dbraw/zinc/06/68/17/169066817.db2.gz UZLHTDRCGHBLDC-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000356888837 169066818 /nfs/dbraw/zinc/06/68/18/169066818.db2.gz UZLHTDRCGHBLDC-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356888837 169066820 /nfs/dbraw/zinc/06/68/20/169066820.db2.gz UZLHTDRCGHBLDC-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356888837 169066821 /nfs/dbraw/zinc/06/68/21/169066821.db2.gz UZLHTDRCGHBLDC-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC000127319748 169078597 /nfs/dbraw/zinc/07/85/97/169078597.db2.gz XRQJSPVWVNZYLG-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127319748 169078599 /nfs/dbraw/zinc/07/85/99/169078599.db2.gz XRQJSPVWVNZYLG-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127319748 169078601 /nfs/dbraw/zinc/07/86/01/169078601.db2.gz XRQJSPVWVNZYLG-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236764429 169078964 /nfs/dbraw/zinc/07/89/64/169078964.db2.gz NBOBLMAOBPJGEJ-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP CCC[N@H+](CC(=O)NCC)C1CC[NH2+]CC1 ZINC000037469627 169096427 /nfs/dbraw/zinc/09/64/27/169096427.db2.gz XIPGGBZCPTZEQH-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP CCC[N@@H+](CC(=O)NCC)C1CC[NH2+]CC1 ZINC000037469627 169096430 /nfs/dbraw/zinc/09/64/30/169096430.db2.gz XIPGGBZCPTZEQH-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP O[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000337976751 183238518 /nfs/dbraw/zinc/23/85/18/183238518.db2.gz LZTRLJHYTXWCAK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](O)C2)C1 ZINC000337976751 183238520 /nfs/dbraw/zinc/23/85/20/183238520.db2.gz LZTRLJHYTXWCAK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](O)C2)C1 ZINC000337976751 183238522 /nfs/dbraw/zinc/23/85/22/183238522.db2.gz LZTRLJHYTXWCAK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)C[NH2+]C ZINC000226407575 169119972 /nfs/dbraw/zinc/11/99/72/169119972.db2.gz NZHQCIWOAQHQAJ-LLVKDONJSA-N 2 1 229.368 0.690 20 0 BCADMP CCC[N@@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298573 169120560 /nfs/dbraw/zinc/12/05/60/169120560.db2.gz HQIQFNPPMXTCCZ-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000053298577 169138632 /nfs/dbraw/zinc/13/86/32/169138632.db2.gz HOZZLUXTDIMJNK-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248048 169141227 /nfs/dbraw/zinc/14/12/27/169141227.db2.gz RMOGMTTZVOSXPZ-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248048 169141228 /nfs/dbraw/zinc/14/12/28/169141228.db2.gz RMOGMTTZVOSXPZ-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)NC ZINC000042405120 169153723 /nfs/dbraw/zinc/15/37/23/169153723.db2.gz NVQSUXXNSMCPJR-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP CCCN(CC[NH+]1CCCC1)C(=O)C[NH+](C)C ZINC000342190807 169158440 /nfs/dbraw/zinc/15/84/40/169158440.db2.gz IPYSEMRARWRLNB-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@H+](CCO)CCn1cc[nH+]c1C ZINC000050106371 169165248 /nfs/dbraw/zinc/16/52/48/169165248.db2.gz ZFWSGZJLVQOXKJ-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP CCC[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000050106371 169165249 /nfs/dbraw/zinc/16/52/49/169165249.db2.gz ZFWSGZJLVQOXKJ-UHFFFAOYSA-N 2 1 211.309 0.896 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000367650972 169192312 /nfs/dbraw/zinc/19/23/12/169192312.db2.gz MHEILCNJWZICJA-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000373799138 169192858 /nfs/dbraw/zinc/19/28/58/169192858.db2.gz HGEUDIAFGWLZTP-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134898 169194229 /nfs/dbraw/zinc/19/42/29/169194229.db2.gz KKPAKTYDPUGOCM-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178698 169195096 /nfs/dbraw/zinc/19/50/96/169195096.db2.gz MYUDBONJRGQXEA-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134900 169196058 /nfs/dbraw/zinc/19/60/58/169196058.db2.gz KKPAKTYDPUGOCM-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000353986955 169197111 /nfs/dbraw/zinc/19/71/11/169197111.db2.gz LSMVZXBLDDNLSV-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000353986955 169197113 /nfs/dbraw/zinc/19/71/13/169197113.db2.gz LSMVZXBLDDNLSV-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000338273496 169201640 /nfs/dbraw/zinc/20/16/40/169201640.db2.gz FWAWOLUDIGJHRX-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988580 169223286 /nfs/dbraw/zinc/22/32/86/169223286.db2.gz MFXAQKBBFSEAQD-QWRGUYRKSA-N 2 1 227.352 0.429 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988580 169223287 /nfs/dbraw/zinc/22/32/87/169223287.db2.gz MFXAQKBBFSEAQD-QWRGUYRKSA-N 2 1 227.352 0.429 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751242 169208430 /nfs/dbraw/zinc/20/84/30/169208430.db2.gz CESKDRMLDRUDRE-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651018 169209047 /nfs/dbraw/zinc/20/90/47/169209047.db2.gz YEBJHPPRVQWTDQ-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112801254 169210921 /nfs/dbraw/zinc/21/09/21/169210921.db2.gz IANYMEOCBPTUNO-GHMZBOCLSA-N 2 1 240.351 0.374 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626478 169220311 /nfs/dbraw/zinc/22/03/11/169220311.db2.gz WGGDVFWYOHILFK-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC000338231221 169258428 /nfs/dbraw/zinc/25/84/28/169258428.db2.gz WNKRHZZRXLWFGW-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP c1cc2c(cc1CC[NH2+][C@H]1CC[NH2+]C1)OCCO2 ZINC000094074311 183368545 /nfs/dbraw/zinc/36/85/45/183368545.db2.gz SZMMFOWGCQUEAZ-LBPRGKRZSA-N 2 1 248.326 0.952 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000272445839 169389000 /nfs/dbraw/zinc/38/90/00/169389000.db2.gz LWFQCMHOLSSUIZ-SNVBAGLBSA-N 2 1 224.308 0.435 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000223989734 134343976 /nfs/dbraw/zinc/34/39/76/134343976.db2.gz ACSZCFDDFHQTAF-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226086343 134358583 /nfs/dbraw/zinc/35/85/83/134358583.db2.gz YRGDUHRTSZKUQO-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226538428 134366026 /nfs/dbraw/zinc/36/60/26/134366026.db2.gz HFXGTXOXRDXOJM-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226538428 134366027 /nfs/dbraw/zinc/36/60/27/134366027.db2.gz HFXGTXOXRDXOJM-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831103 134369816 /nfs/dbraw/zinc/36/98/16/134369816.db2.gz PJQSMFZWGLWATL-JHJVBQTASA-N 2 1 224.348 0.974 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124606 383841051 /nfs/dbraw/zinc/84/10/51/383841051.db2.gz AAOWLZRTOJKGFQ-OPRDCNLKSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CCC[N@@H+](C)CC1 ZINC000069838987 383847208 /nfs/dbraw/zinc/84/72/08/383847208.db2.gz HVYSIIUPNVSRLO-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840199 383849425 /nfs/dbraw/zinc/84/94/25/383849425.db2.gz BVGYKMXXKPSMJW-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1([NH3+])CC1 ZINC000237077936 383864719 /nfs/dbraw/zinc/86/47/19/383864719.db2.gz ZMGBVNUTIVDJEY-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP COCC[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000301048522 383878026 /nfs/dbraw/zinc/87/80/26/383878026.db2.gz QPGWCTVQESMWES-SNVBAGLBSA-N 2 1 204.314 0.319 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CCCc1c[nH+]cn1C ZINC000315044123 383921980 /nfs/dbraw/zinc/92/19/80/383921980.db2.gz XWFREJXTRLVAHX-GHMZBOCLSA-N 2 1 222.336 0.774 20 0 BCADMP CC[C@@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+](C)C ZINC000357620015 383889695 /nfs/dbraw/zinc/88/96/95/383889695.db2.gz JZYGKARAVNTILC-LBPRGKRZSA-N 2 1 239.363 0.705 20 0 BCADMP CC[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+](C)C ZINC000357620015 383889699 /nfs/dbraw/zinc/88/96/99/383889699.db2.gz JZYGKARAVNTILC-LBPRGKRZSA-N 2 1 239.363 0.705 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCC[N@H+]1C ZINC000646876263 383894132 /nfs/dbraw/zinc/89/41/32/383894132.db2.gz WOWZXNVODQWFOR-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](C)[NH3+] ZINC000394296557 383968899 /nfs/dbraw/zinc/96/88/99/383968899.db2.gz QPVMHNRUQIBAEF-UTUOFQBUSA-N 2 1 211.353 0.892 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186830257 384026296 /nfs/dbraw/zinc/02/62/96/384026296.db2.gz RUCUIRFNAMFXMQ-GHMZBOCLSA-N 2 1 227.352 0.441 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000234832854 134389414 /nfs/dbraw/zinc/38/94/14/134389414.db2.gz TUHPYHRGOOUECY-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000234832854 134389416 /nfs/dbraw/zinc/38/94/16/134389416.db2.gz TUHPYHRGOOUECY-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000648128832 384073175 /nfs/dbraw/zinc/07/31/75/384073175.db2.gz SVLNFRIAJOKTDW-IRCOFANPSA-N 2 1 239.363 0.583 20 0 BCADMP O=C([C@H]1CC[NH2+]C1)N1CC[NH2+]Cc2ccccc21 ZINC000294927256 384094643 /nfs/dbraw/zinc/09/46/43/384094643.db2.gz CZARECSOCFKZOA-LBPRGKRZSA-N 2 1 245.326 0.732 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000569503221 384134896 /nfs/dbraw/zinc/13/48/96/384134896.db2.gz WXTUGHXPIPHWIY-LLVKDONJSA-N 2 1 236.319 0.302 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000569503221 384134899 /nfs/dbraw/zinc/13/48/99/384134899.db2.gz WXTUGHXPIPHWIY-LLVKDONJSA-N 2 1 236.319 0.302 20 0 BCADMP C[C@@H](CNC(=O)CCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401048 384171854 /nfs/dbraw/zinc/17/18/54/384171854.db2.gz NBMFEWJSHFTDPK-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000237402574 384173789 /nfs/dbraw/zinc/17/37/89/384173789.db2.gz KFLZNSYHAZXXHT-LLVKDONJSA-N 2 1 235.331 0.582 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000648138538 384162514 /nfs/dbraw/zinc/16/25/14/384162514.db2.gz KBNHOUGOCKSAHB-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000132917931 384214619 /nfs/dbraw/zinc/21/46/19/384214619.db2.gz TYCFHPUPRDKBDP-RKDXNWHRSA-N 2 1 211.309 0.077 20 0 BCADMP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395764 384215831 /nfs/dbraw/zinc/21/58/31/384215831.db2.gz MQOAUEWEEMPEBI-GHMZBOCLSA-N 2 1 200.326 0.905 20 0 BCADMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000082432940 384228769 /nfs/dbraw/zinc/22/87/69/384228769.db2.gz JZVWCANOQKQXDX-VXGBXAGGSA-N 2 1 210.321 0.849 20 0 BCADMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000082432940 384228772 /nfs/dbraw/zinc/22/87/72/384228772.db2.gz JZVWCANOQKQXDX-VXGBXAGGSA-N 2 1 210.321 0.849 20 0 BCADMP CN(C)c1[nH+]cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000644902447 384243025 /nfs/dbraw/zinc/24/30/25/384243025.db2.gz MVVRSCMLBCSUFS-GHMZBOCLSA-N 2 1 249.362 0.137 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000069626390 384246716 /nfs/dbraw/zinc/24/67/16/384246716.db2.gz MBIWMJAKOCJDIU-LBPRGKRZSA-N 2 1 222.336 0.944 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626357 384247028 /nfs/dbraw/zinc/24/70/28/384247028.db2.gz YDPMESOZXZCGDM-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH+](CC)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988516 384271549 /nfs/dbraw/zinc/27/15/49/384271549.db2.gz KSKGLUQHYORWCG-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000168752772 384311518 /nfs/dbraw/zinc/31/15/18/384311518.db2.gz AJAIETYPBASZIS-NWDGAFQWSA-N 2 1 249.358 0.970 20 0 BCADMP c1cn(CC[N@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000133750604 384311755 /nfs/dbraw/zinc/31/17/55/384311755.db2.gz OIXRQIZTCQHAKD-LBPRGKRZSA-N 2 1 221.304 0.994 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401933848 384313346 /nfs/dbraw/zinc/31/33/46/384313346.db2.gz YXFGIMFCJZDVAQ-MWLCHTKSSA-N 2 1 209.293 0.959 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401933849 384313976 /nfs/dbraw/zinc/31/39/76/384313976.db2.gz YXFGIMFCJZDVAQ-ONGXEEELSA-N 2 1 209.293 0.959 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507243 384314733 /nfs/dbraw/zinc/31/47/33/384314733.db2.gz MHKVOUOOVQLBRA-PWSUYJOCSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000647507243 384314740 /nfs/dbraw/zinc/31/47/40/384314740.db2.gz MHKVOUOOVQLBRA-PWSUYJOCSA-N 3 1 227.352 0.034 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(CC(C)(C)O)C1CC1 ZINC000569588961 384290794 /nfs/dbraw/zinc/29/07/94/384290794.db2.gz VGADVISDKNQWTJ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000569588961 384290803 /nfs/dbraw/zinc/29/08/03/384290803.db2.gz VGADVISDKNQWTJ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000569588961 384290806 /nfs/dbraw/zinc/29/08/06/384290806.db2.gz VGADVISDKNQWTJ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000569588961 384290809 /nfs/dbraw/zinc/29/08/09/384290809.db2.gz VGADVISDKNQWTJ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000569588961 384290814 /nfs/dbraw/zinc/29/08/14/384290814.db2.gz VGADVISDKNQWTJ-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000237586725 384295063 /nfs/dbraw/zinc/29/50/63/384295063.db2.gz WHZSDBVROJKIBV-BDAKNGLRSA-N 2 1 223.320 0.219 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773197 384295870 /nfs/dbraw/zinc/29/58/70/384295870.db2.gz NAVSNAVGFMAKOW-NOOOWODRSA-N 2 1 237.347 0.276 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363157 /nfs/dbraw/zinc/36/31/57/384363157.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363161 /nfs/dbraw/zinc/36/31/61/384363161.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363163 /nfs/dbraw/zinc/36/31/63/384363163.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000248875150 384392447 /nfs/dbraw/zinc/39/24/47/384392447.db2.gz QKINOFYTZWYNRU-WDEREUQCSA-N 2 1 229.368 0.960 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676992 384403380 /nfs/dbraw/zinc/40/33/80/384403380.db2.gz SUIYMEZWKVNYPX-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP c1cnc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000403044771 384422705 /nfs/dbraw/zinc/42/27/05/384422705.db2.gz GTBDDVNVALCLOA-QWRGUYRKSA-N 2 1 218.304 0.170 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605245 384375941 /nfs/dbraw/zinc/37/59/41/384375941.db2.gz HTQPASBDBAWNGE-ZYHUDNBSSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000069839586 384387546 /nfs/dbraw/zinc/38/75/46/384387546.db2.gz VEGWWZDNEQHGDJ-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000361395400 384465933 /nfs/dbraw/zinc/46/59/33/384465933.db2.gz NVWJUFGCALOZQQ-IJLUTSLNSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)CC1 ZINC000361395400 384465938 /nfs/dbraw/zinc/46/59/38/384465938.db2.gz NVWJUFGCALOZQQ-IJLUTSLNSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397317368 384473159 /nfs/dbraw/zinc/47/31/59/384473159.db2.gz LRPOOXYWNDYJPB-VWYCJHECSA-N 2 1 227.352 0.380 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397317364 384473471 /nfs/dbraw/zinc/47/34/71/384473471.db2.gz LRPOOXYWNDYJPB-MXWKQRLJSA-N 2 1 227.352 0.380 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](F)C1)C1CC1 ZINC000518759968 384480234 /nfs/dbraw/zinc/48/02/34/384480234.db2.gz GEDXINKVDYOEQV-JBLDHEPKSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](F)C1)C1CC1 ZINC000518759968 384480240 /nfs/dbraw/zinc/48/02/40/384480240.db2.gz GEDXINKVDYOEQV-JBLDHEPKSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](F)C1)C1CC1 ZINC000518759967 384481116 /nfs/dbraw/zinc/48/11/16/384481116.db2.gz GEDXINKVDYOEQV-HOSYDEDBSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](F)C1)C1CC1 ZINC000518759967 384481124 /nfs/dbraw/zinc/48/11/24/384481124.db2.gz GEDXINKVDYOEQV-HOSYDEDBSA-N 2 1 230.327 0.922 20 0 BCADMP C[N@@H+](CCOCCO)C[C@@H]1CCC[NH+](C)C1 ZINC000172585165 384498987 /nfs/dbraw/zinc/49/89/87/384498987.db2.gz NCCCRPQOBZKFQA-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP C[NH+](CCOCCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000172585165 384498990 /nfs/dbraw/zinc/49/89/90/384498990.db2.gz NCCCRPQOBZKFQA-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP C[NH+](CCOCCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172585165 384498994 /nfs/dbraw/zinc/49/89/94/384498994.db2.gz NCCCRPQOBZKFQA-GFCCVEGCSA-N 2 1 230.352 0.269 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540490 384534253 /nfs/dbraw/zinc/53/42/53/384534253.db2.gz TXRIKDYBCNJQBU-TXEJJXNPSA-N 2 1 210.321 0.849 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817802 384515002 /nfs/dbraw/zinc/51/50/02/384515002.db2.gz AODAREHLHLHWPK-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](O)C1 ZINC000085418196 384520662 /nfs/dbraw/zinc/52/06/62/384520662.db2.gz JUYYVNBMQRTNNE-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](O)C1 ZINC000085418196 384520667 /nfs/dbraw/zinc/52/06/67/384520667.db2.gz JUYYVNBMQRTNNE-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](O)C1 ZINC000085418196 384520672 /nfs/dbraw/zinc/52/06/72/384520672.db2.gz JUYYVNBMQRTNNE-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000569605691 384524901 /nfs/dbraw/zinc/52/49/01/384524901.db2.gz PFENRCJMIBRCSD-WISYIIOYSA-N 3 1 211.353 0.986 20 0 BCADMP C[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000569609569 384550027 /nfs/dbraw/zinc/55/00/27/384550027.db2.gz SJOQDNSMRJCSGU-NSHDSACASA-N 2 1 242.363 0.194 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696038 384561727 /nfs/dbraw/zinc/56/17/27/384561727.db2.gz GBCWWCCMHKRVIB-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696038 384561734 /nfs/dbraw/zinc/56/17/34/384561734.db2.gz GBCWWCCMHKRVIB-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624254 384588338 /nfs/dbraw/zinc/58/83/38/384588338.db2.gz QNVKRXAFSLDOOI-RYUDHWBXSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079579 384619858 /nfs/dbraw/zinc/61/98/58/384619858.db2.gz IQTXGGXZOXQELM-YPMHNXCESA-N 2 1 249.358 0.802 20 0 BCADMP Cc1n[nH]cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000556939121 384664679 /nfs/dbraw/zinc/66/46/79/384664679.db2.gz HEBCULJMJNANAM-LLVKDONJSA-N 2 1 208.309 0.950 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000556937588 384666555 /nfs/dbraw/zinc/66/65/55/384666555.db2.gz UOHFJFANBOOQPF-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538497 384668435 /nfs/dbraw/zinc/66/84/35/384668435.db2.gz VNUKFGKOJBGBLN-NEPJUHHUSA-N 2 1 235.335 0.525 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000357038843 384670676 /nfs/dbraw/zinc/67/06/76/384670676.db2.gz ACXJBHZRHXXJBG-AVGNSLFASA-N 2 1 224.348 0.954 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220576366 384657327 /nfs/dbraw/zinc/65/73/27/384657327.db2.gz QYEHHQLOQSTPFQ-CABZTGNLSA-N 2 1 222.336 0.898 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220576366 384657337 /nfs/dbraw/zinc/65/73/37/384657337.db2.gz QYEHHQLOQSTPFQ-CABZTGNLSA-N 2 1 222.336 0.898 20 0 BCADMP C[NH2+]CCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932191 384723100 /nfs/dbraw/zinc/72/31/00/384723100.db2.gz QDCJJUHYKONMBA-NWDGAFQWSA-N 2 1 211.353 0.764 20 0 BCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc[nH]c1 ZINC000125905497 384718806 /nfs/dbraw/zinc/71/88/06/384718806.db2.gz ULZZWMIDBFPMJL-NSHDSACASA-N 2 1 211.309 0.417 20 0 BCADMP CC(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308512114 384773762 /nfs/dbraw/zinc/77/37/62/384773762.db2.gz LJICAFWXPROJDH-QWRGUYRKSA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308512114 384773773 /nfs/dbraw/zinc/77/37/73/384773773.db2.gz LJICAFWXPROJDH-QWRGUYRKSA-N 2 1 200.326 0.687 20 0 BCADMP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546417 384729968 /nfs/dbraw/zinc/72/99/68/384729968.db2.gz JLEPFRWRSXTKPY-LOWDOPEQSA-N 2 1 223.364 0.716 20 0 BCADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000647546513 384730393 /nfs/dbraw/zinc/73/03/93/384730393.db2.gz NFZWMENQISMSLJ-HNGCFSAESA-N 3 1 223.364 0.859 20 0 BCADMP CCCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546973 384732680 /nfs/dbraw/zinc/73/26/80/384732680.db2.gz IPRGBBRYBXFALX-RWMBFGLXSA-N 2 1 225.380 0.964 20 0 BCADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC000647546845 384733005 /nfs/dbraw/zinc/73/30/05/384733005.db2.gz DHLZCDWZJQAELI-UMSGYPCISA-N 3 1 223.364 0.716 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000054133237 384733453 /nfs/dbraw/zinc/73/34/53/384733453.db2.gz YTPYIMIZABZRHA-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547167 384737735 /nfs/dbraw/zinc/73/77/35/384737735.db2.gz PNNCVWSJFODZFI-WHOHXGKFSA-N 2 1 211.353 0.701 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037453 384779601 /nfs/dbraw/zinc/77/96/01/384779601.db2.gz IBDJMHLHEWONKD-MNOVXSKESA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548077 384751287 /nfs/dbraw/zinc/75/12/87/384751287.db2.gz USRXDWRQKSGOIO-IRCOFANPSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037454 384780096 /nfs/dbraw/zinc/78/00/96/384780096.db2.gz IBDJMHLHEWONKD-QWRGUYRKSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+]CCC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000074415198 384767764 /nfs/dbraw/zinc/76/77/64/384767764.db2.gz CCNZPJJDFLRSOX-UHFFFAOYSA-N 2 1 235.331 0.863 20 0 BCADMP COCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400602954 533086672 /nfs/dbraw/zinc/08/66/72/533086672.db2.gz XBLMGNOLWPDYQT-MNOVXSKESA-N 2 1 216.325 0.380 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449650277 384815457 /nfs/dbraw/zinc/81/54/57/384815457.db2.gz TYMPHHLKUBWCEI-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000042519555 384819166 /nfs/dbraw/zinc/81/91/66/384819166.db2.gz LGAHHTZNBZUHNR-SNVBAGLBSA-N 2 1 200.326 0.953 20 0 BCADMP CCSCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308588238 384826681 /nfs/dbraw/zinc/82/66/81/384826681.db2.gz JHBMNPOJRXZIJM-SNVBAGLBSA-N 2 1 218.366 0.396 20 0 BCADMP CCSCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308588238 384826686 /nfs/dbraw/zinc/82/66/86/384826686.db2.gz JHBMNPOJRXZIJM-SNVBAGLBSA-N 2 1 218.366 0.396 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335064453 384788514 /nfs/dbraw/zinc/78/85/14/384788514.db2.gz DIIBCGGPTSQYAJ-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086271854 384870303 /nfs/dbraw/zinc/87/03/03/384870303.db2.gz JYLYXHZQSDMBBJ-MNOVXSKESA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)CO ZINC000336674348 384876176 /nfs/dbraw/zinc/87/61/76/384876176.db2.gz BCUSZCOLPBSNFQ-QMMMGPOBSA-N 2 1 210.268 0.721 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850087 /nfs/dbraw/zinc/85/00/87/384850087.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850092 /nfs/dbraw/zinc/85/00/92/384850092.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850097 /nfs/dbraw/zinc/85/00/97/384850097.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000557466883 384957257 /nfs/dbraw/zinc/95/72/57/384957257.db2.gz BIWIICGPPHSUMI-GHMZBOCLSA-N 2 1 227.352 0.252 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC000101956871 384900635 /nfs/dbraw/zinc/90/06/35/384900635.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC000101956871 384900637 /nfs/dbraw/zinc/90/06/37/384900637.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000101956871 384900639 /nfs/dbraw/zinc/90/06/39/384900639.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000083825849 384903032 /nfs/dbraw/zinc/90/30/32/384903032.db2.gz UMACXFDMVHHELO-VXGBXAGGSA-N 2 1 203.289 0.733 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654490 384906707 /nfs/dbraw/zinc/90/67/07/384906707.db2.gz BYHFSAHWZBPQAD-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP O[C@@H]1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000156628496 384911416 /nfs/dbraw/zinc/91/14/16/384911416.db2.gz QYUWWSZHDZZYIO-RWMBFGLXSA-N 2 1 224.348 0.689 20 0 BCADMP NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250881325 384911642 /nfs/dbraw/zinc/91/16/42/384911642.db2.gz VLPOWHDFERRLOT-NXEZZACHSA-N 2 1 211.309 0.078 20 0 BCADMP NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250881325 384911649 /nfs/dbraw/zinc/91/16/49/384911649.db2.gz VLPOWHDFERRLOT-NXEZZACHSA-N 2 1 211.309 0.078 20 0 BCADMP O[C@@H]1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000156628764 384912635 /nfs/dbraw/zinc/91/26/35/384912635.db2.gz QYUWWSZHDZZYIO-YNEHKIRRSA-N 2 1 224.348 0.689 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000257362137 384923073 /nfs/dbraw/zinc/92/30/73/384923073.db2.gz JDVNFTZJPCEBFT-OUAUKWLOSA-N 2 1 223.320 0.030 20 0 BCADMP CC(C)[C@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257773222 384928234 /nfs/dbraw/zinc/92/82/34/384928234.db2.gz DSKSEXCKEKXRMT-QWHCGFSZSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000257773222 384928235 /nfs/dbraw/zinc/92/82/35/384928235.db2.gz DSKSEXCKEKXRMT-QWHCGFSZSA-N 2 1 225.380 0.916 20 0 BCADMP COC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310259340 384930486 /nfs/dbraw/zinc/93/04/86/384930486.db2.gz HJMIAYLXPKZZQX-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310259340 384930491 /nfs/dbraw/zinc/93/04/91/384930491.db2.gz HJMIAYLXPKZZQX-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310259340 384930494 /nfs/dbraw/zinc/93/04/94/384930494.db2.gz HJMIAYLXPKZZQX-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310259340 384930501 /nfs/dbraw/zinc/93/05/01/384930501.db2.gz HJMIAYLXPKZZQX-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)C1C[NH2+]C1 ZINC000226078103 384938792 /nfs/dbraw/zinc/93/87/92/384938792.db2.gz DHXDSSZUGFKCSQ-MWLCHTKSSA-N 2 1 225.336 0.052 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)C1C[NH2+]C1 ZINC000226078093 384939288 /nfs/dbraw/zinc/93/92/88/384939288.db2.gz DHXDSSZUGFKCSQ-ONGXEEELSA-N 2 1 225.336 0.052 20 0 BCADMP CC[N@@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000302046481 384941882 /nfs/dbraw/zinc/94/18/82/384941882.db2.gz UXEUMJHNIMPSOM-UHFFFAOYSA-N 2 1 222.292 0.544 20 0 BCADMP C[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000129441275 384994189 /nfs/dbraw/zinc/99/41/89/384994189.db2.gz UPXNNKPMEBNTSS-UWVGGRQHSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000648148572 385001749 /nfs/dbraw/zinc/00/17/49/385001749.db2.gz PNJFAKWKLFDGNI-WRWGMCAJSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000309091937 385005241 /nfs/dbraw/zinc/00/52/41/385005241.db2.gz FAKNSMKMHLKODW-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000309091937 385005245 /nfs/dbraw/zinc/00/52/45/385005245.db2.gz FAKNSMKMHLKODW-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP CC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000226397595 385008620 /nfs/dbraw/zinc/00/86/20/385008620.db2.gz MSJCKKLKKPLCKP-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402865 385011153 /nfs/dbraw/zinc/01/11/53/385011153.db2.gz VUNBLXXOWZGTSM-CMPLNLGQSA-N 2 1 227.352 0.666 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402865 385011158 /nfs/dbraw/zinc/01/11/58/385011158.db2.gz VUNBLXXOWZGTSM-CMPLNLGQSA-N 2 1 227.352 0.666 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423520754 385012739 /nfs/dbraw/zinc/01/27/39/385012739.db2.gz QFQWHIFPRUZXAA-UPJWGTAASA-N 2 1 223.364 0.668 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304652270 385018805 /nfs/dbraw/zinc/01/88/05/385018805.db2.gz YMRPGZHHAISFQX-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc1F ZINC000259196532 384962901 /nfs/dbraw/zinc/96/29/01/384962901.db2.gz WSAOHXFXKHDQPS-NSHDSACASA-N 2 1 226.295 0.886 20 0 BCADMP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc1F ZINC000259196532 384962907 /nfs/dbraw/zinc/96/29/07/384962907.db2.gz WSAOHXFXKHDQPS-NSHDSACASA-N 2 1 226.295 0.886 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404758699 385051689 /nfs/dbraw/zinc/05/16/89/385051689.db2.gz AZSLQOBWEXZTDR-AXFHLTTASA-N 2 1 241.379 0.863 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646979380 385108485 /nfs/dbraw/zinc/10/84/85/385108485.db2.gz GIHAZFCKDOPUFG-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP O=C([C@H]1CCCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000157253391 385117005 /nfs/dbraw/zinc/11/70/05/385117005.db2.gz RTISIMNQMCYPQL-NWDGAFQWSA-N 2 1 237.347 0.435 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000345842225 385135832 /nfs/dbraw/zinc/13/58/32/385135832.db2.gz SXBSNNQHIGPPJB-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000345842225 385135837 /nfs/dbraw/zinc/13/58/37/385135837.db2.gz SXBSNNQHIGPPJB-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000345842225 385135841 /nfs/dbraw/zinc/13/58/41/385135841.db2.gz SXBSNNQHIGPPJB-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000345842225 385135846 /nfs/dbraw/zinc/13/58/46/385135846.db2.gz SXBSNNQHIGPPJB-PWSUYJOCSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000345842224 385136169 /nfs/dbraw/zinc/13/61/69/385136169.db2.gz SXBSNNQHIGPPJB-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000345842224 385136176 /nfs/dbraw/zinc/13/61/76/385136176.db2.gz SXBSNNQHIGPPJB-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000345842224 385136178 /nfs/dbraw/zinc/13/61/78/385136178.db2.gz SXBSNNQHIGPPJB-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000345842224 385136185 /nfs/dbraw/zinc/13/61/85/385136185.db2.gz SXBSNNQHIGPPJB-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669055 385086439 /nfs/dbraw/zinc/08/64/39/385086439.db2.gz GBURKBASCGYWBD-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404830579 385096804 /nfs/dbraw/zinc/09/68/04/385096804.db2.gz IDWMFJVXEMXTCE-VHSXEESVSA-N 2 1 208.309 0.636 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310506201 385098471 /nfs/dbraw/zinc/09/84/71/385098471.db2.gz JDYTXTDNZPHRSB-JHJVBQTASA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H](O)C[NH3+] ZINC000310825079 385185200 /nfs/dbraw/zinc/18/52/00/385185200.db2.gz KMZZZBDZVRHGHH-ZDUSSCGKSA-N 2 1 245.326 0.986 20 0 BCADMP C[N@H+](Cc1cnc2ccccc2c1)C[C@@H](O)C[NH3+] ZINC000310825079 385185209 /nfs/dbraw/zinc/18/52/09/385185209.db2.gz KMZZZBDZVRHGHH-ZDUSSCGKSA-N 2 1 245.326 0.986 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000647030378 385163099 /nfs/dbraw/zinc/16/30/99/385163099.db2.gz UZQANVMBXGCBNY-DGCLKSJQSA-N 2 1 239.363 0.668 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795863 385173086 /nfs/dbraw/zinc/17/30/86/385173086.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 2 1 239.363 0.348 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427795863 385173094 /nfs/dbraw/zinc/17/30/94/385173094.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 2 1 239.363 0.348 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427795863 385173101 /nfs/dbraw/zinc/17/31/01/385173101.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000647064815 385208802 /nfs/dbraw/zinc/20/88/02/385208802.db2.gz HMSNYCOUFKMTPP-ZYHUDNBSSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000647064814 385209106 /nfs/dbraw/zinc/20/91/06/385209106.db2.gz HMSNYCOUFKMTPP-PWSUYJOCSA-N 2 1 243.326 0.146 20 0 BCADMP CC(C)CCOCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000308855801 385216578 /nfs/dbraw/zinc/21/65/78/385216578.db2.gz PWDMGPXWQRSNHI-NSHDSACASA-N 2 1 218.341 0.301 20 0 BCADMP CC(C)CCOCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000308855801 385216584 /nfs/dbraw/zinc/21/65/84/385216584.db2.gz PWDMGPXWQRSNHI-NSHDSACASA-N 2 1 218.341 0.301 20 0 BCADMP CC[N@@H+](CCCO)C[C@]1(C)CC[NH2+]C1 ZINC000308856307 385218546 /nfs/dbraw/zinc/21/85/46/385218546.db2.gz PDWHBOIJAZJQFJ-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164667856 385223986 /nfs/dbraw/zinc/22/39/86/385223986.db2.gz MFXAQKBBFSEAQD-WDEREUQCSA-N 2 1 227.352 0.429 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164667856 385223992 /nfs/dbraw/zinc/22/39/92/385223992.db2.gz MFXAQKBBFSEAQD-WDEREUQCSA-N 2 1 227.352 0.429 20 0 BCADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252717077 385228066 /nfs/dbraw/zinc/22/80/66/385228066.db2.gz ZSFLLMWVKGXAGJ-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157641243 385236992 /nfs/dbraw/zinc/23/69/92/385236992.db2.gz DOHIBUUHHBWMCR-UTUOFQBUSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178672851 385316761 /nfs/dbraw/zinc/31/67/61/385316761.db2.gz NIAAGMRMKYLWMC-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000308965154 385317115 /nfs/dbraw/zinc/31/71/15/385317115.db2.gz UYKFYRWOCVEBEN-KXNHARMFSA-N 2 1 212.337 0.830 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000308965948 385318820 /nfs/dbraw/zinc/31/88/20/385318820.db2.gz VPNSDUZXPUMSRP-UWVGGRQHSA-N 2 1 218.341 0.312 20 0 BCADMP CC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178512797 385294846 /nfs/dbraw/zinc/29/48/46/385294846.db2.gz QWEUZROERBYIPV-CMPLNLGQSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000164989986 385333443 /nfs/dbraw/zinc/33/34/43/385333443.db2.gz HRFNAELRMPNEAW-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000299962230 385358498 /nfs/dbraw/zinc/35/84/98/385358498.db2.gz SVZJUDGDKRFLAY-CMPLNLGQSA-N 2 1 222.336 0.632 20 0 BCADMP CC[NH+](CC)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309040631 385377498 /nfs/dbraw/zinc/37/74/98/385377498.db2.gz KZYKSHFBPYXIFQ-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151185 385327323 /nfs/dbraw/zinc/32/73/23/385327323.db2.gz QKQGKGQFUKMCMH-TUAOUCFPSA-N 2 1 210.321 0.563 20 0 BCADMP Cn1nnc2cc(C[N@@H+](C)CCC[NH3+])ccc21 ZINC000647497605 385410300 /nfs/dbraw/zinc/41/03/00/385410300.db2.gz NRLOIEHQBWGLTB-UHFFFAOYSA-N 2 1 233.319 0.749 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405254948 385412078 /nfs/dbraw/zinc/41/20/78/385412078.db2.gz LRZXVGLWXGPEHA-DTWKUNHWSA-N 2 1 227.352 0.617 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405254950 385412253 /nfs/dbraw/zinc/41/22/53/385412253.db2.gz LRZXVGLWXGPEHA-RKDXNWHRSA-N 2 1 227.352 0.617 20 0 BCADMP [NH3+]Cc1nc(COc2ccccc2C[NH3+])no1 ZINC000647689544 385421389 /nfs/dbraw/zinc/42/13/89/385421389.db2.gz WEKIAQKVIRYYKP-UHFFFAOYSA-N 2 1 234.259 0.566 20 0 BCADMP CCN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309102855 385423428 /nfs/dbraw/zinc/42/34/28/385423428.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309102855 385423437 /nfs/dbraw/zinc/42/34/37/385423437.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309102855 385423440 /nfs/dbraw/zinc/42/34/40/385423440.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309102855 385423442 /nfs/dbraw/zinc/42/34/42/385423442.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309102855 385423444 /nfs/dbraw/zinc/42/34/44/385423444.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309102855 385423446 /nfs/dbraw/zinc/42/34/46/385423446.db2.gz KDRLBWGZUZIUDM-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@H+]1C ZINC000156296699 385444250 /nfs/dbraw/zinc/44/42/50/385444250.db2.gz JVTARRACACTBAJ-UWVGGRQHSA-N 2 1 200.326 0.830 20 0 BCADMP c1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000275702676 385475734 /nfs/dbraw/zinc/47/57/34/385475734.db2.gz XSLCJFZFCOEFPA-SNVBAGLBSA-N 2 1 231.303 0.958 20 0 BCADMP c1ncc(CN2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000179688875 385484462 /nfs/dbraw/zinc/48/44/62/385484462.db2.gz JCTUGPABVODBNM-UHFFFAOYSA-N 2 1 220.320 0.937 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000257736220 385490634 /nfs/dbraw/zinc/49/06/34/385490634.db2.gz VZLWIEPEMPPYMQ-LBPRGKRZSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257685954 385493285 /nfs/dbraw/zinc/49/32/85/385493285.db2.gz KIUXLTNZJTVBRB-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000257753626 385496687 /nfs/dbraw/zinc/49/66/87/385496687.db2.gz ZJJNCMUDZBDKDS-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755776 385498101 /nfs/dbraw/zinc/49/81/01/385498101.db2.gz WGHHMMVDHIXNAN-CQSZACIVSA-N 2 1 248.374 0.505 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309259294 385504080 /nfs/dbraw/zinc/50/40/80/385504080.db2.gz CYRANKPDDBFXBP-QMMMGPOBSA-N 2 1 237.294 0.425 20 0 BCADMP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000644811861 385516504 /nfs/dbraw/zinc/51/65/04/385516504.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000644811861 385516508 /nfs/dbraw/zinc/51/65/08/385516508.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000644811861 385516513 /nfs/dbraw/zinc/51/65/13/385516513.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000644811873 385517336 /nfs/dbraw/zinc/51/73/36/385517336.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000644811873 385517338 /nfs/dbraw/zinc/51/73/38/385517338.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 2 1 237.347 0.101 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000644811873 385517339 /nfs/dbraw/zinc/51/73/39/385517339.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 2 1 237.347 0.101 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647669508 385537824 /nfs/dbraw/zinc/53/78/24/385537824.db2.gz VHPGZAFDBAYMAK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309351862 385543710 /nfs/dbraw/zinc/54/37/10/385543710.db2.gz NGVCLGCUWNVVQE-VXGBXAGGSA-N 2 1 228.336 0.021 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309351857 385544179 /nfs/dbraw/zinc/54/41/79/385544179.db2.gz NGVCLGCUWNVVQE-NWDGAFQWSA-N 2 1 228.336 0.021 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364990977 385557394 /nfs/dbraw/zinc/55/73/94/385557394.db2.gz XIVRUYOSRKRUJG-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000054075285 385595151 /nfs/dbraw/zinc/59/51/51/385595151.db2.gz GASCUFAAAFRNBS-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178678 385606297 /nfs/dbraw/zinc/60/62/97/385606297.db2.gz XOMWUMYBTBASFB-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336676655 385604100 /nfs/dbraw/zinc/60/41/00/385604100.db2.gz PXUFASQDLQVTBI-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336676655 385604105 /nfs/dbraw/zinc/60/41/05/385604105.db2.gz PXUFASQDLQVTBI-MNOVXSKESA-N 2 1 226.320 0.623 20 0 BCADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000309455999 385588673 /nfs/dbraw/zinc/58/86/73/385588673.db2.gz NPXLWGQOYRKUJH-MNOVXSKESA-N 2 1 223.320 0.977 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495167 385615463 /nfs/dbraw/zinc/61/54/63/385615463.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495167 385615468 /nfs/dbraw/zinc/61/54/68/385615468.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495167 385615474 /nfs/dbraw/zinc/61/54/74/385615474.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000309488926 385618123 /nfs/dbraw/zinc/61/81/23/385618123.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000309488926 385618128 /nfs/dbraw/zinc/61/81/28/385618128.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)CC(C)(C)O)C1CC1 ZINC000309488926 385618132 /nfs/dbraw/zinc/61/81/32/385618132.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)CC(C)(C)O)C1CC1 ZINC000309488926 385618136 /nfs/dbraw/zinc/61/81/36/385618136.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000309488926 385618142 /nfs/dbraw/zinc/61/81/42/385618142.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000309488926 385618145 /nfs/dbraw/zinc/61/81/45/385618145.db2.gz XTBHYFMUMDRGNZ-LLVKDONJSA-N 2 1 230.352 0.144 20 0 BCADMP C(C[N@H+]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000108326170 385625573 /nfs/dbraw/zinc/62/55/73/385625573.db2.gz QNMYITYWEYORRO-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP C(CN1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000108326170 385625578 /nfs/dbraw/zinc/62/55/78/385625578.db2.gz QNMYITYWEYORRO-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@@H+]1CCCNCC1)C1CC[NH2+]CC1 ZINC000108326170 385625579 /nfs/dbraw/zinc/62/55/79/385625579.db2.gz QNMYITYWEYORRO-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP C(C[N@H+]1CCCNCC1)C1CC[NH2+]CC1 ZINC000108326170 385625585 /nfs/dbraw/zinc/62/55/85/385625585.db2.gz QNMYITYWEYORRO-UHFFFAOYSA-N 2 1 211.353 0.671 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654320 385629130 /nfs/dbraw/zinc/62/91/30/385629130.db2.gz PYCBMKICMRWVHG-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CCOC(=O)C[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000309500789 385636990 /nfs/dbraw/zinc/63/69/90/385636990.db2.gz UXUNNTYWAHBXJY-VIFPVBQESA-N 2 1 216.325 0.997 20 0 BCADMP CCOC(=O)C[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000309500789 385636996 /nfs/dbraw/zinc/63/69/96/385636996.db2.gz UXUNNTYWAHBXJY-VIFPVBQESA-N 2 1 216.325 0.997 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054293015 385612289 /nfs/dbraw/zinc/61/22/89/385612289.db2.gz MBMVZPRGMOBATL-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000336734581 385664962 /nfs/dbraw/zinc/66/49/62/385664962.db2.gz NIWLNNBLPKQHLY-RYUDHWBXSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000336734581 385664967 /nfs/dbraw/zinc/66/49/67/385664967.db2.gz NIWLNNBLPKQHLY-RYUDHWBXSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000309514714 385654633 /nfs/dbraw/zinc/65/46/33/385654633.db2.gz YIHHLKSWYPLWHM-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](CCOCCO)CCn1ccnc1 ZINC000281939800 385716290 /nfs/dbraw/zinc/71/62/90/385716290.db2.gz DWRZHPOOKUHIKP-UHFFFAOYSA-N 2 1 227.308 0.214 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000336693281 385737056 /nfs/dbraw/zinc/73/70/56/385737056.db2.gz RCNOVXRRIBGWJP-VHSXEESVSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C)[C@H](C)C1 ZINC000414859816 385739267 /nfs/dbraw/zinc/73/92/67/385739267.db2.gz NXGOWGFHKOAHSV-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C)[C@H](C)C1 ZINC000414859816 385739270 /nfs/dbraw/zinc/73/92/70/385739270.db2.gz NXGOWGFHKOAHSV-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C)[C@H](C)C1 ZINC000414859816 385739272 /nfs/dbraw/zinc/73/92/72/385739272.db2.gz NXGOWGFHKOAHSV-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336703442 385776300 /nfs/dbraw/zinc/77/63/00/385776300.db2.gz KOKBWZQZVNYIMO-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336703442 385776304 /nfs/dbraw/zinc/77/63/04/385776304.db2.gz KOKBWZQZVNYIMO-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336703442 385776308 /nfs/dbraw/zinc/77/63/08/385776308.db2.gz KOKBWZQZVNYIMO-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[NH+](C)CCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000271340218 385819894 /nfs/dbraw/zinc/81/98/94/385819894.db2.gz CPJLNTVRSUFVEP-UHFFFAOYSA-N 2 1 247.306 0.218 20 0 BCADMP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336718877 385845872 /nfs/dbraw/zinc/84/58/72/385845872.db2.gz RGWSAWSEUINWHX-CYZMBNFOSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336718877 385845875 /nfs/dbraw/zinc/84/58/75/385845875.db2.gz RGWSAWSEUINWHX-CYZMBNFOSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC(=O)N1CCC1 ZINC000271692143 385846228 /nfs/dbraw/zinc/84/62/28/385846228.db2.gz LYGDYDHFOIKPQY-UHFFFAOYSA-N 2 1 236.319 0.437 20 0 BCADMP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336718880 385846272 /nfs/dbraw/zinc/84/62/72/385846272.db2.gz RGWSAWSEUINWHX-UHTWSYAYSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336718880 385846273 /nfs/dbraw/zinc/84/62/73/385846273.db2.gz RGWSAWSEUINWHX-UHTWSYAYSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414867020 385794056 /nfs/dbraw/zinc/79/40/56/385794056.db2.gz NUGOSWHTALOCLQ-GRYCIOLGSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845304 385885666 /nfs/dbraw/zinc/88/56/66/385885666.db2.gz USNMXVBPQDOXNY-WCQYABFASA-N 2 1 249.358 0.945 20 0 BCADMP C[N@@H+](CCC[NH3+])CCC(=O)NC1CCCC1 ZINC000647848399 385898273 /nfs/dbraw/zinc/89/82/73/385898273.db2.gz QBGQCQCIIZHECL-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCC[NH3+] ZINC000647849468 385900656 /nfs/dbraw/zinc/90/06/56/385900656.db2.gz UYLRCPHYGHQKIT-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCC[NH3+] ZINC000647849468 385900658 /nfs/dbraw/zinc/90/06/58/385900658.db2.gz UYLRCPHYGHQKIT-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP CO[C@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)C1 ZINC000285373005 385920517 /nfs/dbraw/zinc/92/05/17/385920517.db2.gz MOQTXGAGYWJCJW-PHIMTYICSA-N 2 1 209.293 0.992 20 0 BCADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338233250 385921214 /nfs/dbraw/zinc/92/12/14/385921214.db2.gz IHCRJRVEFJZWMV-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338233250 385921219 /nfs/dbraw/zinc/92/12/19/385921219.db2.gz IHCRJRVEFJZWMV-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@H+]1C ZINC000647817011 385870401 /nfs/dbraw/zinc/87/04/01/385870401.db2.gz YKRDRHOZAALQEW-DDHJBXDOSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647828483 385877018 /nfs/dbraw/zinc/87/70/18/385877018.db2.gz WJXUFCUCYALQHK-NQBHXWOUSA-N 2 1 241.379 0.816 20 0 BCADMP Cc1noc(CCC[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000647829682 385878077 /nfs/dbraw/zinc/87/80/77/385878077.db2.gz LPXBIKXHUCMCLO-SNVBAGLBSA-N 2 1 224.308 0.591 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(N)c1 ZINC000647835795 385879786 /nfs/dbraw/zinc/87/97/86/385879786.db2.gz OQNKVIUXCFUEKN-UHFFFAOYSA-N 2 1 248.374 0.606 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647836744 385880791 /nfs/dbraw/zinc/88/07/91/385880791.db2.gz VHZFJCAKAPXWCP-GFCCVEGCSA-N 2 1 235.331 0.427 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417450344 385975442 /nfs/dbraw/zinc/97/54/42/385975442.db2.gz ZYNWIVABNMZGEH-WDEREUQCSA-N 2 1 244.383 0.611 20 0 BCADMP C[C@H](C[NH3+])C[NH2+]Cc1c(Cl)cnn1C ZINC000414881165 385987073 /nfs/dbraw/zinc/98/70/73/385987073.db2.gz SBHFNABRIRTOJW-SSDOTTSWSA-N 2 1 216.716 0.758 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144929 385992833 /nfs/dbraw/zinc/99/28/33/385992833.db2.gz UGEQQOJIGQJWSP-WISYIIOYSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414144929 385992838 /nfs/dbraw/zinc/99/28/38/385992838.db2.gz UGEQQOJIGQJWSP-WISYIIOYSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cn[nH]c1 ZINC000309012985 385936856 /nfs/dbraw/zinc/93/68/56/385936856.db2.gz PTJIZVFODFHWHR-ONGXEEELSA-N 2 1 208.309 0.764 20 0 BCADMP C[C@H](CO)[NH+](C)CCC[N@H+](C)[C@H](C)CO ZINC000342086828 385937660 /nfs/dbraw/zinc/93/76/60/385937660.db2.gz HVQCIFWIVHERCR-GHMZBOCLSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH2+]CCNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000417446469 385955208 /nfs/dbraw/zinc/95/52/08/385955208.db2.gz LNNBUGBZQSAXMY-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP C1CCC([N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)C1 ZINC000335058158 385959073 /nfs/dbraw/zinc/95/90/73/385959073.db2.gz YPNSKDRDEDDUDI-NEPJUHHUSA-N 2 1 223.364 0.955 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251247866 385960762 /nfs/dbraw/zinc/96/07/62/385960762.db2.gz BKXQUSIPXXHKRM-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865397 385994470 /nfs/dbraw/zinc/99/44/70/385994470.db2.gz IETFVQRKWSDKRB-SDDRHHMPSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865397 385994476 /nfs/dbraw/zinc/99/44/76/385994476.db2.gz IETFVQRKWSDKRB-SDDRHHMPSA-N 3 1 227.352 0.034 20 0 BCADMP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336721882 386000410 /nfs/dbraw/zinc/00/04/10/386000410.db2.gz SOLDCGTVXPAENW-VXNVDRBHSA-N 2 1 247.289 0.322 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC000338454820 386009617 /nfs/dbraw/zinc/00/96/17/386009617.db2.gz JCSCEABDYUQRJV-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+]CCNC(=O)NCC[N@@H+](CC)C(C)C ZINC000417458810 386010072 /nfs/dbraw/zinc/01/00/72/386010072.db2.gz INIKYBIGHKURBC-UHFFFAOYSA-N 2 1 244.383 0.625 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417460643 386014758 /nfs/dbraw/zinc/01/47/58/386014758.db2.gz KDIMRYFGGRJQQK-MNOVXSKESA-N 2 1 244.383 0.752 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000417460644 386015265 /nfs/dbraw/zinc/01/52/65/386015265.db2.gz KDIMRYFGGRJQQK-QWRGUYRKSA-N 2 1 244.383 0.752 20 0 BCADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977919 386036200 /nfs/dbraw/zinc/03/62/00/386036200.db2.gz QZZOXOKTGLTXQU-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000129027523 386044445 /nfs/dbraw/zinc/04/44/45/386044445.db2.gz VZDTXFMGPQDRBH-GFCCVEGCSA-N 2 1 227.352 0.587 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133681 386110214 /nfs/dbraw/zinc/11/02/14/386110214.db2.gz KRKLMZNOTKSVBV-LBPRGKRZSA-N 2 1 229.368 0.960 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054340064 386121088 /nfs/dbraw/zinc/12/10/88/386121088.db2.gz FKQVBFHBTKYWDD-UWVGGRQHSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414652794 386074998 /nfs/dbraw/zinc/07/49/98/386074998.db2.gz HJNXDOKASDHYMI-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414652794 386075003 /nfs/dbraw/zinc/07/50/03/386075003.db2.gz HJNXDOKASDHYMI-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000345293100 386094138 /nfs/dbraw/zinc/09/41/38/386094138.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000345293100 386094142 /nfs/dbraw/zinc/09/41/42/386094142.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000345293100 386094147 /nfs/dbraw/zinc/09/41/47/386094147.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000414663484 386100057 /nfs/dbraw/zinc/10/00/57/386100057.db2.gz SEYJFWKIFNNAFW-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@@H](CN2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000414663484 386100062 /nfs/dbraw/zinc/10/00/62/386100062.db2.gz SEYJFWKIFNNAFW-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353182744 386154623 /nfs/dbraw/zinc/15/46/23/386154623.db2.gz KNABFWFWOCHZEE-ZMLRMANQSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353182742 386155387 /nfs/dbraw/zinc/15/53/87/386155387.db2.gz KNABFWFWOCHZEE-DLOVCJGASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C2CC2)CC[N@H+]1C ZINC000647756197 386157686 /nfs/dbraw/zinc/15/76/86/386157686.db2.gz ZVJGGXQRNPGGTA-MWLCHTKSSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414693524 386190443 /nfs/dbraw/zinc/19/04/43/386190443.db2.gz BZGCOAYYAFIDHY-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681592 386165206 /nfs/dbraw/zinc/16/52/06/386165206.db2.gz PMYFCGIKIUYOHZ-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000310257614 386166370 /nfs/dbraw/zinc/16/63/70/386166370.db2.gz YOBDNTJMYWPKAW-NSHDSACASA-N 2 1 236.319 0.450 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H](C)C[NH+](C)C)C1CC1 ZINC000346238001 386178601 /nfs/dbraw/zinc/17/86/01/386178601.db2.gz ZJYFDDFYTANHRQ-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879497 386178952 /nfs/dbraw/zinc/17/89/52/386178952.db2.gz BGYNTVGAOPYYPK-JQWIXIFHSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879497 386178957 /nfs/dbraw/zinc/17/89/57/386178957.db2.gz BGYNTVGAOPYYPK-JQWIXIFHSA-N 2 1 237.347 0.339 20 0 BCADMP COc1ccccc1C[N@H+](CCO)CCC[NH3+] ZINC000414691730 386188996 /nfs/dbraw/zinc/18/89/96/386188996.db2.gz AIRTWBKMGZXFFP-UHFFFAOYSA-N 2 1 238.331 0.838 20 0 BCADMP COc1ccccc1C[N@@H+](CCO)CCC[NH3+] ZINC000414691730 386189000 /nfs/dbraw/zinc/18/90/00/386189000.db2.gz AIRTWBKMGZXFFP-UHFFFAOYSA-N 2 1 238.331 0.838 20 0 BCADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393458189 386128789 /nfs/dbraw/zinc/12/87/89/386128789.db2.gz FRKAQTZRFUGHEK-WRWGMCAJSA-N 2 1 210.321 0.726 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414669470 386128967 /nfs/dbraw/zinc/12/89/67/386128967.db2.gz BKRFUSNCIMTXQO-IJLUTSLNSA-N 2 1 240.347 0.869 20 0 BCADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@H]12 ZINC000414891761 386142231 /nfs/dbraw/zinc/14/22/31/386142231.db2.gz WYLODCWLDMEPTI-WRWGMCAJSA-N 2 1 222.332 0.896 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCCC[NH3+])C1CC1 ZINC000417490613 386143822 /nfs/dbraw/zinc/14/38/22/386143822.db2.gz RPZHLUHDBGLOOF-UHFFFAOYSA-N 2 1 242.367 0.509 20 0 BCADMP Cn1nnc2cc(C[NH2+]C[C@H]([NH3+])C3CC3)ccc21 ZINC000414896352 386200644 /nfs/dbraw/zinc/20/06/44/386200644.db2.gz OSCORXKHZSFZQH-NSHDSACASA-N 2 1 245.330 0.795 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697232 386201863 /nfs/dbraw/zinc/20/18/63/386201863.db2.gz IHDABBOUCXOPNV-VXGBXAGGSA-N 2 1 244.379 0.297 20 0 BCADMP COCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414699318 386202116 /nfs/dbraw/zinc/20/21/16/386202116.db2.gz SXEYOOPEIPSINP-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@@H+](CCNC(=O)NCCC[NH3+])C1CCCC1 ZINC000417506760 386206093 /nfs/dbraw/zinc/20/60/93/386206093.db2.gz MOHKNWBPRIFKMT-UHFFFAOYSA-N 2 1 242.367 0.509 20 0 BCADMP c1n[nH]cc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310567529 386206425 /nfs/dbraw/zinc/20/64/25/386206425.db2.gz MQPYNAMKBYMZRK-BETUJISGSA-N 2 1 234.347 0.884 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000414702488 386207737 /nfs/dbraw/zinc/20/77/37/386207737.db2.gz XLEAKMISVXGPNY-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700657 386207802 /nfs/dbraw/zinc/20/78/02/386207802.db2.gz ZQAYSWPENXAVQV-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH3+])C1 ZINC000414702628 386211000 /nfs/dbraw/zinc/21/10/00/386211000.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 2 1 213.369 0.999 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131738542 386214312 /nfs/dbraw/zinc/21/43/12/386214312.db2.gz DSUPUTNNAVTPDQ-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131738542 386214315 /nfs/dbraw/zinc/21/43/15/386214315.db2.gz DSUPUTNNAVTPDQ-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647881520 386216169 /nfs/dbraw/zinc/21/61/69/386216169.db2.gz BIQOPQHODQSWCJ-OLZOCXBDSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131790513 386221292 /nfs/dbraw/zinc/22/12/92/386221292.db2.gz ZPKKIYLHSNPHGK-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131790513 386221300 /nfs/dbraw/zinc/22/13/00/386221300.db2.gz ZPKKIYLHSNPHGK-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215331867 386230430 /nfs/dbraw/zinc/23/04/30/386230430.db2.gz YPUJTFHQTRMJIL-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP CN(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347048023 386232215 /nfs/dbraw/zinc/23/22/15/386232215.db2.gz PKDSGYRNIRFBRQ-SECBINFHSA-N 2 1 240.376 0.990 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347048023 386232219 /nfs/dbraw/zinc/23/22/19/386232219.db2.gz PKDSGYRNIRFBRQ-SECBINFHSA-N 2 1 240.376 0.990 20 0 BCADMP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882720 386236731 /nfs/dbraw/zinc/23/67/31/386236731.db2.gz VNBPFCWZYDOAEH-NWDGAFQWSA-N 2 1 239.363 0.573 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CO)C1 ZINC000414696738 386196391 /nfs/dbraw/zinc/19/63/91/386196391.db2.gz QFJXZLQQGGPFJG-WDEREUQCSA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](CO)C1 ZINC000414696738 386196397 /nfs/dbraw/zinc/19/63/97/386196397.db2.gz QFJXZLQQGGPFJG-WDEREUQCSA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CO)C1 ZINC000414696735 386197199 /nfs/dbraw/zinc/19/71/99/386197199.db2.gz QFJXZLQQGGPFJG-MNOVXSKESA-N 2 1 200.326 0.674 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](CO)C1 ZINC000414696735 386197206 /nfs/dbraw/zinc/19/72/06/386197206.db2.gz QFJXZLQQGGPFJG-MNOVXSKESA-N 2 1 200.326 0.674 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695139 386198330 /nfs/dbraw/zinc/19/83/30/386198330.db2.gz OEBDJPSKICXIGC-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@]1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900869 386289067 /nfs/dbraw/zinc/28/90/67/386289067.db2.gz FIUYZBLTJDBIIX-OLZOCXBDSA-N 3 1 225.380 0.965 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647988105 386293055 /nfs/dbraw/zinc/29/30/55/386293055.db2.gz OKJMFVOEDKWDLO-QWRGUYRKSA-N 3 1 211.353 0.574 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647988103 386294215 /nfs/dbraw/zinc/29/42/15/386294215.db2.gz OKJMFVOEDKWDLO-GHMZBOCLSA-N 3 1 211.353 0.574 20 0 BCADMP CC[NH+](CC)CCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347294066 386294273 /nfs/dbraw/zinc/29/42/73/386294273.db2.gz QHNAWDOFTDVWAJ-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP [NH3+]C1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000335266638 386304975 /nfs/dbraw/zinc/30/49/75/386304975.db2.gz BWQWFPBVRYCUDQ-HTAVTVPLSA-N 2 1 211.353 0.988 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645396077 386305672 /nfs/dbraw/zinc/30/56/72/386305672.db2.gz VDCRZTKGNCLZEV-NSHDSACASA-N 2 1 239.363 0.537 20 0 BCADMP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC[NH3+] ZINC000414737238 386307050 /nfs/dbraw/zinc/30/70/50/386307050.db2.gz AHSBAZZEPULCAB-DCAQKATOSA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC[NH3+] ZINC000414737238 386307056 /nfs/dbraw/zinc/30/70/56/386307056.db2.gz AHSBAZZEPULCAB-DCAQKATOSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336670419 386314726 /nfs/dbraw/zinc/31/47/26/386314726.db2.gz GQCHMTOWOYCCJO-WDEREUQCSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH2+]CCNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417538670 386315595 /nfs/dbraw/zinc/31/55/95/386315595.db2.gz DPJBNLPMCOUEEG-JTQLQIEISA-N 2 1 242.367 0.378 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739967 386315859 /nfs/dbraw/zinc/31/58/59/386315859.db2.gz CNUMLXHXAJGXRF-WZRBSPASSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236822791 386317418 /nfs/dbraw/zinc/31/74/18/386317418.db2.gz MJFXBZRHHJFLIK-NSHDSACASA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC(F)(F)CN ZINC000190280860 386262526 /nfs/dbraw/zinc/26/25/26/386262526.db2.gz JEYROQFYRORZTJ-UHFFFAOYSA-N 2 1 223.267 0.037 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NCC(F)(F)C[NH3+] ZINC000190280860 386262528 /nfs/dbraw/zinc/26/25/28/386262528.db2.gz JEYROQFYRORZTJ-UHFFFAOYSA-N 2 1 223.267 0.037 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336652090 386267052 /nfs/dbraw/zinc/26/70/52/386267052.db2.gz WJIQEXLHWPHMFP-NEPJUHHUSA-N 2 1 212.337 0.906 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308440 386270646 /nfs/dbraw/zinc/27/06/46/386270646.db2.gz QPQMTSFRJVEXPT-MNOVXSKESA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746205 386343116 /nfs/dbraw/zinc/34/31/16/386343116.db2.gz RUTQQCRPDHRZJG-UTUOFQBUSA-N 2 1 224.348 0.831 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000647989573 386357800 /nfs/dbraw/zinc/35/78/00/386357800.db2.gz GHFFJLVUCBSAOA-SNVBAGLBSA-N 2 1 209.297 0.134 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000647989573 386357806 /nfs/dbraw/zinc/35/78/06/386357806.db2.gz GHFFJLVUCBSAOA-SNVBAGLBSA-N 2 1 209.297 0.134 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)N(C)[C@H](C)C2)CC[NH2+]1 ZINC000414748844 386362610 /nfs/dbraw/zinc/36/26/10/386362610.db2.gz XIWKLLIMKZNRCC-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000417550812 386375802 /nfs/dbraw/zinc/37/58/02/386375802.db2.gz MJOLDJPKBULCTI-VHSXEESVSA-N 2 1 240.351 0.212 20 0 BCADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000647890767 386382415 /nfs/dbraw/zinc/38/24/15/386382415.db2.gz OWULAXWFULPPJS-ZDUSSCGKSA-N 2 1 239.363 0.004 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414742997 386331879 /nfs/dbraw/zinc/33/18/79/386331879.db2.gz GUOSIPNSVBUAAF-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414743556 386335177 /nfs/dbraw/zinc/33/51/77/386335177.db2.gz HIDLTOBFFYLGOG-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417134111 386452636 /nfs/dbraw/zinc/45/26/36/386452636.db2.gz IFCKSPWQCDFMBE-GMTAPVOTSA-N 2 1 240.351 0.260 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417605717 386439215 /nfs/dbraw/zinc/43/92/15/386439215.db2.gz BZYCUHRYRXEFPR-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417607984 386441408 /nfs/dbraw/zinc/44/14/08/386441408.db2.gz HXVSJRKXPWPTKG-LLVKDONJSA-N 2 1 242.367 0.461 20 0 BCADMP CC[N@@H+](CCn1ccnc1)[C@H]1CCOC1 ZINC000336704878 386395626 /nfs/dbraw/zinc/39/56/26/386395626.db2.gz QUSCVGBRRBPUGO-NSHDSACASA-N 2 1 209.293 0.994 20 0 BCADMP C[C@@H](CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336732723 386404686 /nfs/dbraw/zinc/40/46/86/386404686.db2.gz GBADISIQFBZEGS-SECBINFHSA-N 2 1 243.376 0.923 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417134113 386451701 /nfs/dbraw/zinc/45/17/01/386451701.db2.gz IFCKSPWQCDFMBE-HBNTYKKESA-N 2 1 240.351 0.260 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583694 386412673 /nfs/dbraw/zinc/41/26/73/386412673.db2.gz LILPPBQMZNCHQV-GHMZBOCLSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCCC[NH+](C)C ZINC000166088225 386417925 /nfs/dbraw/zinc/41/79/25/386417925.db2.gz MUAZWAJHSFOMFR-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336708714 386418488 /nfs/dbraw/zinc/41/84/88/386418488.db2.gz IWJAQRAYCBGSRY-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@@H](O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000336708714 386418491 /nfs/dbraw/zinc/41/84/91/386418491.db2.gz IWJAQRAYCBGSRY-GFCCVEGCSA-N 2 1 244.379 0.536 20 0 BCADMP CN(C)c1nc(N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000347415837 386418753 /nfs/dbraw/zinc/41/87/53/386418753.db2.gz OBIYRWMMFQEHCZ-UHFFFAOYSA-N 2 1 221.308 0.293 20 0 BCADMP FC(F)CN1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647991282 386420243 /nfs/dbraw/zinc/42/02/43/386420243.db2.gz VISZZPSQPZDHMW-LLVKDONJSA-N 2 1 247.333 0.869 20 0 BCADMP FC(F)CN1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647991282 386420248 /nfs/dbraw/zinc/42/02/48/386420248.db2.gz VISZZPSQPZDHMW-LLVKDONJSA-N 2 1 247.333 0.869 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134490673 386422202 /nfs/dbraw/zinc/42/22/02/386422202.db2.gz ZOAQPIYVHBSBAY-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417134119 386452452 /nfs/dbraw/zinc/45/24/52/386452452.db2.gz IFCKSPWQCDFMBE-VWYCJHECSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417629111 386473799 /nfs/dbraw/zinc/47/37/99/386473799.db2.gz RPKJEGMZTJKBLO-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])c[nH]1 ZINC000415010694 386477292 /nfs/dbraw/zinc/47/72/92/386477292.db2.gz PTJDGRMSRMHAJA-JGVFFNPUSA-N 2 1 225.292 0.627 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290765 386478474 /nfs/dbraw/zinc/47/84/74/386478474.db2.gz YSASGJZKTZSDIQ-SECBINFHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]1 ZINC000417634499 386479370 /nfs/dbraw/zinc/47/93/70/386479370.db2.gz ZAOMSXHSWQJGMO-SNVBAGLBSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH2+]C[C@](C)(O)CN1CCC(C[NH+](C)C)CC1 ZINC000519544393 386481514 /nfs/dbraw/zinc/48/15/14/386481514.db2.gz JGTKUIBSOAVGNM-ZDUSSCGKSA-N 2 1 243.395 0.230 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335432890 386491558 /nfs/dbraw/zinc/49/15/58/386491558.db2.gz FEQXBBBEZXQELS-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP COC(=O)c1cc(C[N@H+](C)C2CC([NH3+])C2)c[nH]1 ZINC000414780243 386495299 /nfs/dbraw/zinc/49/52/99/386495299.db2.gz SLKWHTAOIPCTQA-UHFFFAOYSA-N 2 1 237.303 0.723 20 0 BCADMP COC(=O)c1cc(C[N@@H+](C)C2CC([NH3+])C2)c[nH]1 ZINC000414780243 386495306 /nfs/dbraw/zinc/49/53/06/386495306.db2.gz SLKWHTAOIPCTQA-UHFFFAOYSA-N 2 1 237.303 0.723 20 0 BCADMP CN(Cc1nc(C(C)(C)N)no1)[C@@H]1CCOC1 ZINC000135265135 386500344 /nfs/dbraw/zinc/50/03/44/386500344.db2.gz UCVGDIHJOXDKDD-MRVPVSSYSA-N 2 1 240.307 0.484 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000519606853 386502902 /nfs/dbraw/zinc/50/29/02/386502902.db2.gz OGYFCTCJUUXSKL-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000519606853 386502906 /nfs/dbraw/zinc/50/29/06/386502906.db2.gz OGYFCTCJUUXSKL-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415019903 386509581 /nfs/dbraw/zinc/50/95/81/386509581.db2.gz ADRPMTSBMIRLIQ-YABSGUDNSA-N 2 1 242.326 0.950 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513892 /nfs/dbraw/zinc/51/38/92/386513892.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513898 /nfs/dbraw/zinc/51/38/98/386513898.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514858 /nfs/dbraw/zinc/51/48/58/386514858.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514865 /nfs/dbraw/zinc/51/48/65/386514865.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517236 /nfs/dbraw/zinc/51/72/36/386517236.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 1 208.309 0.887 20 0 BCADMP COC(=O)c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c[nH]1 ZINC000415038773 386524132 /nfs/dbraw/zinc/52/41/32/386524132.db2.gz OJZQDNXJGVJDQC-JZYVYDRUSA-N 2 1 235.287 0.109 20 0 BCADMP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417143373 386455664 /nfs/dbraw/zinc/45/56/64/386455664.db2.gz UJDXYTHGUNMPPW-QWRGUYRKSA-N 2 1 240.351 0.132 20 0 BCADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[NH3+] ZINC000347662153 386460101 /nfs/dbraw/zinc/46/01/01/386460101.db2.gz ZAIZUMLYDRRWMH-SNVBAGLBSA-N 2 1 238.335 0.860 20 0 BCADMP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000417625431 386463017 /nfs/dbraw/zinc/46/30/17/386463017.db2.gz MCSCAFBWUVXSPC-VIFPVBQESA-N 2 1 228.340 0.069 20 0 BCADMP C[N@@H+]1CC[C@@H](CSc2nc(N)cc(N)[nH+]2)C1 ZINC000187665071 386579479 /nfs/dbraw/zinc/57/94/79/386579479.db2.gz UVCAXOIAAVWBLS-SSDOTTSWSA-N 2 1 239.348 0.685 20 0 BCADMP C[N@H+]1CC[C@@H](CSc2nc(N)cc(N)[nH+]2)C1 ZINC000187665071 386579484 /nfs/dbraw/zinc/57/94/84/386579484.db2.gz UVCAXOIAAVWBLS-SSDOTTSWSA-N 2 1 239.348 0.685 20 0 BCADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923596 386580260 /nfs/dbraw/zinc/58/02/60/386580260.db2.gz IQDJYAFHEQOWEL-UTUOFQBUSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923597 386580657 /nfs/dbraw/zinc/58/06/57/386580657.db2.gz IQDJYAFHEQOWEL-WOPDTQHZSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905024 386585060 /nfs/dbraw/zinc/58/50/60/386585060.db2.gz LLTMALKATFMWDJ-WOPDTQHZSA-N 2 1 211.353 0.655 20 0 BCADMP CC(C)(C)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178315 386541608 /nfs/dbraw/zinc/54/16/08/386541608.db2.gz LKUJTPUVQUSPFM-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647973991 386545130 /nfs/dbraw/zinc/54/51/30/386545130.db2.gz QZEJRFRUNBYDLC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647973991 386545137 /nfs/dbraw/zinc/54/51/37/386545137.db2.gz QZEJRFRUNBYDLC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc1C ZINC000415069576 386551144 /nfs/dbraw/zinc/55/11/44/386551144.db2.gz PCGZAKJPFCWUML-LBPRGKRZSA-N 2 1 238.331 0.755 20 0 BCADMP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc1C ZINC000415069576 386551148 /nfs/dbraw/zinc/55/11/48/386551148.db2.gz PCGZAKJPFCWUML-LBPRGKRZSA-N 2 1 238.331 0.755 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@@H+](C)C1CC1 ZINC000062010204 386558216 /nfs/dbraw/zinc/55/82/16/386558216.db2.gz LZRPOSQSDBVUOJ-UHFFFAOYSA-N 2 1 213.325 0.196 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904261 386655759 /nfs/dbraw/zinc/65/57/59/386655759.db2.gz MRDQLRKOBNALTA-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000520269116 386635661 /nfs/dbraw/zinc/63/56/61/386635661.db2.gz BVNMDPATBBTYAA-SRVKXCTJSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000335506168 386636517 /nfs/dbraw/zinc/63/65/17/386636517.db2.gz WOQZZGAYYSXNNC-UWVGGRQHSA-N 2 1 213.325 0.275 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647937766 386646289 /nfs/dbraw/zinc/64/62/89/386646289.db2.gz ATDXIXUVMQHJAT-OLZOCXBDSA-N 2 1 249.358 0.945 20 0 BCADMP C(CC1CC[NH2+]CC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647949422 386648571 /nfs/dbraw/zinc/64/85/71/386648571.db2.gz XXIICJIAWICDSU-OKILXGFUSA-N 3 1 237.391 0.917 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335520509 386659319 /nfs/dbraw/zinc/65/93/19/386659319.db2.gz FJEFBDXMHUYBQV-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000335522460 386663441 /nfs/dbraw/zinc/66/34/41/386663441.db2.gz VKLUHRZUJUCVAB-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414926857 386672672 /nfs/dbraw/zinc/67/26/72/386672672.db2.gz NUGOSWHTALOCLQ-SDDRHHMPSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647954462 386681120 /nfs/dbraw/zinc/68/11/20/386681120.db2.gz NJPMBAYDXCVFEE-CHWSQXEVSA-N 2 1 242.363 0.853 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357081531 386709283 /nfs/dbraw/zinc/70/92/83/386709283.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 2 1 229.368 0.235 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357081531 386709293 /nfs/dbraw/zinc/70/92/93/386709293.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357081531 386709297 /nfs/dbraw/zinc/70/92/97/386709297.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357081531 386709306 /nfs/dbraw/zinc/70/93/06/386709306.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357081531 386709313 /nfs/dbraw/zinc/70/93/13/386709313.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 3 1 229.368 0.235 20 0 BCADMP CCn1cc(C[NH2+]C[C@H](C)C[NH2+]C)cn1 ZINC000414830752 386710338 /nfs/dbraw/zinc/71/03/38/386710338.db2.gz CJZWLFFSRRDPDP-SNVBAGLBSA-N 2 1 210.325 0.848 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357079453 386710557 /nfs/dbraw/zinc/71/05/57/386710557.db2.gz SOEABGVXJISFDC-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357079453 386710565 /nfs/dbraw/zinc/71/05/65/386710565.db2.gz SOEABGVXJISFDC-ZDUSSCGKSA-N 3 1 243.395 0.625 20 0 BCADMP CC(C)C[C@@H]([NH3+])CNCC(F)(F)C[NH3+] ZINC000414926974 386685262 /nfs/dbraw/zinc/68/52/62/386685262.db2.gz KMEXOFUGXUAAOG-MRVPVSSYSA-N 2 1 209.284 0.543 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335468280 386686206 /nfs/dbraw/zinc/68/62/06/386686206.db2.gz PEFRSPAUDQDPCT-MNOVXSKESA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335468280 386686211 /nfs/dbraw/zinc/68/62/11/386686211.db2.gz PEFRSPAUDQDPCT-MNOVXSKESA-N 2 1 225.336 0.147 20 0 BCADMP CC[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414926968 386686402 /nfs/dbraw/zinc/68/64/02/386686402.db2.gz KLSWQFHHNBAZSP-UHFFFAOYSA-N 2 1 221.295 0.654 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335468277 386687090 /nfs/dbraw/zinc/68/70/90/386687090.db2.gz PEFRSPAUDQDPCT-GHMZBOCLSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335468277 386687092 /nfs/dbraw/zinc/68/70/92/386687092.db2.gz PEFRSPAUDQDPCT-GHMZBOCLSA-N 2 1 225.336 0.147 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000357069907 386711747 /nfs/dbraw/zinc/71/17/47/386711747.db2.gz HXYSKWVNQITLBO-LBPRGKRZSA-N 2 1 238.335 0.495 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](C)[NH3+] ZINC000335478235 386703253 /nfs/dbraw/zinc/70/32/53/386703253.db2.gz QXNKQSPHRKTEBP-MNOVXSKESA-N 2 1 227.352 0.522 20 0 BCADMP CCOC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357082360 386713435 /nfs/dbraw/zinc/71/34/35/386713435.db2.gz WOTSQFKZNDSPMF-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CCn2ccnc2)C1 ZINC000330510296 386746284 /nfs/dbraw/zinc/74/62/84/386746284.db2.gz AOPZFTOTQXLRKE-UWVGGRQHSA-N 2 1 238.291 0.508 20 0 BCADMP Cn1cc(CC[NH+]2CCC3(CC[NH2+]3)CC2)cn1 ZINC000335539606 386748357 /nfs/dbraw/zinc/74/83/57/386748357.db2.gz QAYPBFRPPKRAEH-UHFFFAOYSA-N 2 1 234.347 0.791 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254081 386748663 /nfs/dbraw/zinc/74/86/63/386748663.db2.gz YQTHLZPKDBWYJU-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269263030 386769445 /nfs/dbraw/zinc/76/94/45/386769445.db2.gz NQXXTCUQEHWWHE-VIFPVBQESA-N 2 1 222.292 0.823 20 0 BCADMP [NH3+]CCOCC[N@@H+](CCCCO)C1CC1 ZINC000336663671 386759012 /nfs/dbraw/zinc/75/90/12/386759012.db2.gz KWLYCIJDMVKKKE-UHFFFAOYSA-N 2 1 216.325 0.199 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537482 386770141 /nfs/dbraw/zinc/77/01/41/386770141.db2.gz YIYDBGYHPBAKIH-NEPJUHHUSA-N 2 1 244.404 0.738 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1=O ZINC000647908298 386744273 /nfs/dbraw/zinc/74/42/73/386744273.db2.gz MGSWZHWULZTTGB-AWEZNQCLSA-N 2 1 247.342 0.571 20 0 BCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCO)C1 ZINC000340861225 386790184 /nfs/dbraw/zinc/79/01/84/386790184.db2.gz BYXSDIRJLWOYEA-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000394992535 386792876 /nfs/dbraw/zinc/79/28/76/386792876.db2.gz GDHYOZIBNPVHDZ-VOAKCMCISA-N 2 1 242.363 0.456 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537485 386771313 /nfs/dbraw/zinc/77/13/13/386771313.db2.gz YIYDBGYHPBAKIH-VXGBXAGGSA-N 2 1 244.404 0.738 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396581302 386777304 /nfs/dbraw/zinc/77/73/04/386777304.db2.gz FNGKJKFYVJINSR-GMTAPVOTSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000340814217 386780308 /nfs/dbraw/zinc/78/03/08/386780308.db2.gz HJCGZEVSFMLLOW-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000340814217 386780318 /nfs/dbraw/zinc/78/03/18/386780318.db2.gz HJCGZEVSFMLLOW-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000340814217 386780323 /nfs/dbraw/zinc/78/03/23/386780323.db2.gz HJCGZEVSFMLLOW-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C1CC1 ZINC000340814213 386780533 /nfs/dbraw/zinc/78/05/33/386780533.db2.gz HJCGZEVSFMLLOW-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)C1CC1 ZINC000340814213 386780536 /nfs/dbraw/zinc/78/05/36/386780536.db2.gz HJCGZEVSFMLLOW-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000340814213 386780543 /nfs/dbraw/zinc/78/05/43/386780543.db2.gz HJCGZEVSFMLLOW-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@H+]1C1CC1 ZINC000417859697 386805080 /nfs/dbraw/zinc/80/50/80/386805080.db2.gz SKEBKSSPYCZGOR-UWVGGRQHSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993827 386809460 /nfs/dbraw/zinc/80/94/60/386809460.db2.gz BBMYQEVVBLNDOX-GARJFASQSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993830 386809938 /nfs/dbraw/zinc/80/99/38/386809938.db2.gz BBMYQEVVBLNDOX-MXWKQRLJSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000417993718 386809973 /nfs/dbraw/zinc/80/99/73/386809973.db2.gz BAKRDTIDCZEWMW-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@H+]1C ZINC000417993826 386810577 /nfs/dbraw/zinc/81/05/77/386810577.db2.gz BBMYQEVVBLNDOX-DCAQKATOSA-N 2 1 240.351 0.212 20 0 BCADMP Cc1cc(NCC[N@H+]2CCOC[C@H]2C)cc[nH+]1 ZINC000357685451 386827637 /nfs/dbraw/zinc/82/76/37/386827637.db2.gz DSYLHMMBLPIFRL-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)cc[nH+]1 ZINC000357685451 386827641 /nfs/dbraw/zinc/82/76/41/386827641.db2.gz DSYLHMMBLPIFRL-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414847234 386829883 /nfs/dbraw/zinc/82/98/83/386829883.db2.gz VSSJNFVKTSKYIH-SECBINFHSA-N 2 1 239.319 0.746 20 0 BCADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[NH3+])n1 ZINC000414936232 386835717 /nfs/dbraw/zinc/83/57/17/386835717.db2.gz BTSGSCSKPZQHJO-ZJUUUORDSA-N 2 1 223.320 0.958 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NCCC[NH3+])CCC[N@H+]1C ZINC000418004222 386847344 /nfs/dbraw/zinc/84/73/44/386847344.db2.gz NXLOJYNCPFRLIR-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000331375800 386848193 /nfs/dbraw/zinc/84/81/93/386848193.db2.gz HXJNDXMKZFHGTK-HBNTYKKESA-N 2 1 240.351 0.069 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000331375799 386848419 /nfs/dbraw/zinc/84/84/19/386848419.db2.gz HXJNDXMKZFHGTK-GARJFASQSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331409964 386850548 /nfs/dbraw/zinc/85/05/48/386850548.db2.gz BWURPFWAVOFQRB-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000418010797 386892163 /nfs/dbraw/zinc/89/21/63/386892163.db2.gz WEACIKKTWJJNHL-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331556064 386869417 /nfs/dbraw/zinc/86/94/17/386869417.db2.gz XMTRULQQYXNGSZ-SNVBAGLBSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331556057 386869770 /nfs/dbraw/zinc/86/97/70/386869770.db2.gz XMTRULQQYXNGSZ-JTQLQIEISA-N 2 1 240.351 0.071 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418009987 386884956 /nfs/dbraw/zinc/88/49/56/386884956.db2.gz VDWDIVQXIIPOAZ-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418011571 386898846 /nfs/dbraw/zinc/89/88/46/386898846.db2.gz XADZEOQSPWNBHA-MMWGEVLESA-N 2 1 242.367 0.504 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418011574 386899881 /nfs/dbraw/zinc/89/98/81/386899881.db2.gz XADZEOQSPWNBHA-XWLWVQCSSA-N 2 1 242.367 0.504 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418012775 386907298 /nfs/dbraw/zinc/90/72/98/386907298.db2.gz YKNSVOBQXYXWLB-GUBZILKMSA-N 2 1 228.340 0.116 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000358257770 386920821 /nfs/dbraw/zinc/92/08/21/386920821.db2.gz SJUDUDAIVGXOPA-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000358257770 386920823 /nfs/dbraw/zinc/92/08/23/386920823.db2.gz SJUDUDAIVGXOPA-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000358264039 386922938 /nfs/dbraw/zinc/92/29/38/386922938.db2.gz YBUAZZRSTFDXJM-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000358264039 386922944 /nfs/dbraw/zinc/92/29/44/386922944.db2.gz YBUAZZRSTFDXJM-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000367976961 386924288 /nfs/dbraw/zinc/92/42/88/386924288.db2.gz NZLDJEMJJAIYNG-RKDXNWHRSA-N 2 1 249.305 0.331 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869596 386928371 /nfs/dbraw/zinc/92/83/71/386928371.db2.gz PMMKNUPFXMQKMH-QYNFOATHSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869596 386928373 /nfs/dbraw/zinc/92/83/73/386928373.db2.gz PMMKNUPFXMQKMH-QYNFOATHSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC(N)C2)CC[NH2+]1 ZINC000334869596 386928378 /nfs/dbraw/zinc/92/83/78/386928378.db2.gz PMMKNUPFXMQKMH-QYNFOATHSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871699 386932548 /nfs/dbraw/zinc/93/25/48/386932548.db2.gz ZPOJTERPCMMQRE-JYBOHDQNSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)[C@H]1CCCC[NH2+]1 ZINC000333346465 387030272 /nfs/dbraw/zinc/03/02/72/387030272.db2.gz ZIGXACVIHGGJSJ-GRYCIOLGSA-N 2 1 249.362 0.713 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228078128 387066351 /nfs/dbraw/zinc/06/63/51/387066351.db2.gz LMYACUBMOAPZPS-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334955431 387034593 /nfs/dbraw/zinc/03/45/93/387034593.db2.gz HKKKUMSLGKGDEF-GHMZBOCLSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[N@@H+](C)C1CC1 ZINC000398996792 387036896 /nfs/dbraw/zinc/03/68/96/387036896.db2.gz PXYWFGSBMVYGOP-JOYOIKCWSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[N@@H+](C)C1CC1 ZINC000398996790 387037657 /nfs/dbraw/zinc/03/76/57/387037657.db2.gz PXYWFGSBMVYGOP-BXKDBHETSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399005909 387037958 /nfs/dbraw/zinc/03/79/58/387037958.db2.gz YBHJFGPEEJUSSM-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334960701 387041544 /nfs/dbraw/zinc/04/15/44/387041544.db2.gz XFGGIWQHQNKIED-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334960701 387041547 /nfs/dbraw/zinc/04/15/47/387041547.db2.gz XFGGIWQHQNKIED-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334960701 387041550 /nfs/dbraw/zinc/04/15/50/387041550.db2.gz XFGGIWQHQNKIED-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074083 387043532 /nfs/dbraw/zinc/04/35/32/387043532.db2.gz YMFDTEFPNHWBKD-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)C(C)C ZINC000359214407 387067122 /nfs/dbraw/zinc/06/71/22/387067122.db2.gz DMNNINOHHDTPDB-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079623 387055356 /nfs/dbraw/zinc/05/53/56/387055356.db2.gz RGBJSPIUJZSCNR-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCc1c[nH]cn1 ZINC000359131062 387056985 /nfs/dbraw/zinc/05/69/85/387056985.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 1 210.281 0.366 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NCc1cnc[nH]1 ZINC000359131062 387056992 /nfs/dbraw/zinc/05/69/92/387056992.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 1 210.281 0.366 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCc1cnc[nH]1 ZINC000359131062 387056999 /nfs/dbraw/zinc/05/69/99/387056999.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 1 210.281 0.366 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418021422 387015751 /nfs/dbraw/zinc/01/57/51/387015751.db2.gz JIXZSNUXXAGTOL-NSHDSACASA-N 2 1 240.351 0.285 20 0 BCADMP C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000333339489 387028085 /nfs/dbraw/zinc/02/80/85/387028085.db2.gz XSYRGSXXDUDTIY-GVXVVHGQSA-N 2 1 239.363 0.775 20 0 BCADMP COCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766335 387071599 /nfs/dbraw/zinc/07/15/99/387071599.db2.gz MNSXCAKJBUWYJG-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427478 387090273 /nfs/dbraw/zinc/09/02/73/387090273.db2.gz JCUVMXKRIYZZJO-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C[NH+](C)C ZINC000186331160 387091066 /nfs/dbraw/zinc/09/10/66/387091066.db2.gz ACPKGECYAKRJGQ-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C[NH+](C)C ZINC000186331176 387091286 /nfs/dbraw/zinc/09/12/86/387091286.db2.gz ACPKGECYAKRJGQ-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000228451321 387094011 /nfs/dbraw/zinc/09/40/11/387094011.db2.gz MIVYOKMNSPYMCG-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071377517 387102479 /nfs/dbraw/zinc/10/24/79/387102479.db2.gz VNNOVGLLTQRPDB-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000334946375 387108796 /nfs/dbraw/zinc/10/87/96/387108796.db2.gz WUNYXDADIJLCRZ-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335029411 387125254 /nfs/dbraw/zinc/12/52/54/387125254.db2.gz KBZJHBRAPXRMTG-RYUDHWBXSA-N 2 1 223.364 0.812 20 0 BCADMP OCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000571807553 387173275 /nfs/dbraw/zinc/17/32/75/387173275.db2.gz XMOSVUXKFIDUQB-UHFFFAOYSA-N 2 1 242.363 0.195 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423333349 387180353 /nfs/dbraw/zinc/18/03/53/387180353.db2.gz FEPTWMQTNLBAGO-BDAKNGLRSA-N 2 1 221.295 0.701 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261913 387184462 /nfs/dbraw/zinc/18/44/62/387184462.db2.gz FNTMVNVSWPHLPU-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000229725686 387193948 /nfs/dbraw/zinc/19/39/48/387193948.db2.gz ODHYGMAEVONLSZ-GFCCVEGCSA-N 2 1 239.363 0.680 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000229622993 387186014 /nfs/dbraw/zinc/18/60/14/387186014.db2.gz KZWXRZVASBCJIO-IVZWLZJFSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000229622993 387186016 /nfs/dbraw/zinc/18/60/16/387186016.db2.gz KZWXRZVASBCJIO-IVZWLZJFSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000229622976 387186366 /nfs/dbraw/zinc/18/63/66/387186366.db2.gz KZWXRZVASBCJIO-OPRDCNLKSA-N 2 1 234.290 0.829 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000229622976 387186372 /nfs/dbraw/zinc/18/63/72/387186372.db2.gz KZWXRZVASBCJIO-OPRDCNLKSA-N 2 1 234.290 0.829 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCO ZINC000371295804 387186904 /nfs/dbraw/zinc/18/69/04/387186904.db2.gz VEHGALUOJVWTFZ-AGIUHOORSA-N 2 1 242.363 0.552 20 0 BCADMP COCC[NH2+]CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423339236 387187680 /nfs/dbraw/zinc/18/76/80/387187680.db2.gz SESUAPDNPKRHAD-NEPJUHHUSA-N 2 1 241.379 0.437 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338974 387187945 /nfs/dbraw/zinc/18/79/45/387187945.db2.gz BGHWNTDNCVIELS-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942812 387188188 /nfs/dbraw/zinc/18/81/88/387188188.db2.gz YTHSOZORAFRGBW-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000571909138 387189418 /nfs/dbraw/zinc/18/94/18/387189418.db2.gz ZXZACLWZQSHTSE-ZYHUDNBSSA-N 2 1 248.330 0.149 20 0 BCADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000571908116 387190054 /nfs/dbraw/zinc/19/00/54/387190054.db2.gz FHKKTKZKPYHQGC-GRYCIOLGSA-N 2 1 209.337 0.421 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000643494837 387138343 /nfs/dbraw/zinc/13/83/43/387138343.db2.gz OQVNVLJWVYIVCK-GRYCIOLGSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1CCCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000643494843 387138419 /nfs/dbraw/zinc/13/84/19/387138419.db2.gz OQVNVLJWVYIVCK-UTUOFQBUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H](NCC(F)(F)C[NH3+])[C@H]1CCC[NH2+]1 ZINC000423350588 387202591 /nfs/dbraw/zinc/20/25/91/387202591.db2.gz ZUQTYGBNEVJGSZ-HTQZYQBOSA-N 2 1 207.268 0.311 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCOC1 ZINC000423353004 387205255 /nfs/dbraw/zinc/20/52/55/387205255.db2.gz AWILBEFWTGDDIJ-KKOKHZNYSA-N 2 1 212.337 0.999 20 0 BCADMP COC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423426669 387252788 /nfs/dbraw/zinc/25/27/88/387252788.db2.gz NHBXVZFXCKLBOG-QWHCGFSZSA-N 2 1 242.363 0.770 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361225 387212177 /nfs/dbraw/zinc/21/21/77/387212177.db2.gz RIFYWLYSTIMCIR-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000423361700 387212294 /nfs/dbraw/zinc/21/22/94/387212294.db2.gz MMICHEJUQDNEQJ-WHOHXGKFSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@H+]1C1CC1 ZINC000423425024 387252813 /nfs/dbraw/zinc/25/28/13/387252813.db2.gz GIMQLTKHBLGZIO-DTPMLBFTSA-N 2 1 221.348 0.419 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418192968 387213550 /nfs/dbraw/zinc/21/35/50/387213550.db2.gz BCKMOIDLTUGQHD-GARJFASQSA-N 2 1 244.383 0.750 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418203877 387217658 /nfs/dbraw/zinc/21/76/58/387217658.db2.gz WLTJZCVFPDZUGK-WDEREUQCSA-N 2 1 244.383 0.752 20 0 BCADMP CC(C)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120314588 387231609 /nfs/dbraw/zinc/23/16/09/387231609.db2.gz DENUVDSPKWWZGM-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423404792 387239524 /nfs/dbraw/zinc/23/95/24/387239524.db2.gz XRSVRECOZNKURN-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406598 387242736 /nfs/dbraw/zinc/24/27/36/387242736.db2.gz UWSRNFDRNCLUCI-WISYIIOYSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406598 387242741 /nfs/dbraw/zinc/24/27/41/387242741.db2.gz UWSRNFDRNCLUCI-WISYIIOYSA-N 2 1 211.353 0.524 20 0 BCADMP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CCC[NH2+]1 ZINC000423416508 387249237 /nfs/dbraw/zinc/24/92/37/387249237.db2.gz QTLFZUYTCRRDNM-WUHRBBMRSA-N 2 1 242.363 0.911 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000571893820 387194597 /nfs/dbraw/zinc/19/45/97/387194597.db2.gz FBNBFCMPIXWHRQ-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000423348142 387196491 /nfs/dbraw/zinc/19/64/91/387196491.db2.gz SSVZHTLTYZSHCT-SDDRHHMPSA-N 2 1 211.353 0.526 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000423348142 387196496 /nfs/dbraw/zinc/19/64/96/387196496.db2.gz SSVZHTLTYZSHCT-SDDRHHMPSA-N 2 1 211.353 0.526 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336369858 387200508 /nfs/dbraw/zinc/20/05/08/387200508.db2.gz MRNUSPHKVWQPNK-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336369858 387200513 /nfs/dbraw/zinc/20/05/13/387200513.db2.gz MRNUSPHKVWQPNK-MNOVXSKESA-N 2 1 225.336 0.243 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378699 387260876 /nfs/dbraw/zinc/26/08/76/387260876.db2.gz MQOIIVXBHODTLL-DDHJBXDOSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378699 387260880 /nfs/dbraw/zinc/26/08/80/387260880.db2.gz MQOIIVXBHODTLL-DDHJBXDOSA-N 2 1 211.353 0.667 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423383511 387267645 /nfs/dbraw/zinc/26/76/45/387267645.db2.gz JLQWGEOMDXZJOZ-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000423386496 387271390 /nfs/dbraw/zinc/27/13/90/387271390.db2.gz RZIGEIQICZLSKZ-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423388014 387272733 /nfs/dbraw/zinc/27/27/33/387272733.db2.gz MMKMVPUHOQDARR-NXEZZACHSA-N 2 1 227.352 0.618 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423388017 387274512 /nfs/dbraw/zinc/27/45/12/387274512.db2.gz MMKMVPUHOQDARR-ZJUUUORDSA-N 2 1 227.352 0.618 20 0 BCADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH3+])CO2 ZINC000423390783 387276542 /nfs/dbraw/zinc/27/65/42/387276542.db2.gz KMACUMBESZFMGM-ONGXEEELSA-N 2 1 236.315 0.936 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732456 387282510 /nfs/dbraw/zinc/28/25/10/387282510.db2.gz IWSUGQBQVVRXMS-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435039 387286520 /nfs/dbraw/zinc/28/65/20/387286520.db2.gz OLJANQUZSCCDLX-SCUASFONSA-N 3 1 237.391 0.962 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435039 387286526 /nfs/dbraw/zinc/28/65/26/387286526.db2.gz OLJANQUZSCCDLX-SCUASFONSA-N 2 1 237.391 0.962 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000572257670 387287234 /nfs/dbraw/zinc/28/72/34/387287234.db2.gz ZUMGEDRHPCNBAR-AGIUHOORSA-N 3 1 241.379 0.303 20 0 BCADMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000643500081 387318733 /nfs/dbraw/zinc/31/87/33/387318733.db2.gz WUIYQTRPSITXKX-SNVBAGLBSA-N 2 1 237.303 0.362 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502090 387357044 /nfs/dbraw/zinc/35/70/44/387357044.db2.gz XFFOKQRVZSBIKP-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000423530855 387357787 /nfs/dbraw/zinc/35/77/87/387357787.db2.gz XJICVMBAUYHZIN-WXHSDQCUSA-N 2 1 239.363 0.047 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000423554194 387372146 /nfs/dbraw/zinc/37/21/46/387372146.db2.gz LKRNSWLWSGEORK-DGCLKSJQSA-N 2 1 241.379 0.485 20 0 BCADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423568534 387378038 /nfs/dbraw/zinc/37/80/38/387378038.db2.gz VLYXFQUFGRFHEL-ZYHUDNBSSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000162076726 387382508 /nfs/dbraw/zinc/38/25/08/387382508.db2.gz IZJXGHMOMGFQOI-MRVPVSSYSA-N 2 1 204.277 1.000 20 0 BCADMP CC[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423479936 387326484 /nfs/dbraw/zinc/32/64/84/387326484.db2.gz VQCVKAFCXLSNMC-SCVCMEIPSA-N 2 1 211.353 0.796 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396672015 387383084 /nfs/dbraw/zinc/38/30/84/387383084.db2.gz RTEUDFRQKHRXLM-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423494392 387337785 /nfs/dbraw/zinc/33/77/85/387337785.db2.gz DDBSQFIOVVPFCR-KKOKHZNYSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000354156110 387337901 /nfs/dbraw/zinc/33/79/01/387337901.db2.gz VPSKSYROLJBGEQ-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1(C)CC1 ZINC000423509760 387345342 /nfs/dbraw/zinc/34/53/42/387345342.db2.gz JFKSSZPCZWEZKE-MNOVXSKESA-N 2 1 211.353 0.668 20 0 BCADMP c1ncn(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000374188444 387429746 /nfs/dbraw/zinc/42/97/46/387429746.db2.gz WYWMVENXWXUVRB-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP c1ncn(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000374188444 387429749 /nfs/dbraw/zinc/42/97/49/387429749.db2.gz WYWMVENXWXUVRB-CYBMUJFWSA-N 2 1 249.362 0.696 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423845212 387433669 /nfs/dbraw/zinc/43/36/69/387433669.db2.gz KDAPGKCKIJEDCF-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000423844578 387434873 /nfs/dbraw/zinc/43/48/73/387434873.db2.gz JDQPQCHMQXOTHW-ZJUUUORDSA-N 2 1 227.352 0.522 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000423845655 387435067 /nfs/dbraw/zinc/43/50/67/387435067.db2.gz KNTLADRVHUEUBZ-CYBMUJFWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1[NH3+] ZINC000423953953 387457834 /nfs/dbraw/zinc/45/78/34/387457834.db2.gz BOTMFMDABYTRBP-WISYIIOYSA-N 2 1 239.363 0.665 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423640254 387392004 /nfs/dbraw/zinc/39/20/04/387392004.db2.gz GLMRBGOWCOBXRW-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP CC[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000361091080 387401354 /nfs/dbraw/zinc/40/13/54/387401354.db2.gz IYNJUDDDWMRXBX-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000423752407 387409957 /nfs/dbraw/zinc/40/99/57/387409957.db2.gz APILGYWGGNMPBS-VHSXEESVSA-N 2 1 215.341 0.570 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000336585706 387413027 /nfs/dbraw/zinc/41/30/27/387413027.db2.gz PSMFANRZXSZZRD-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000423769240 387417890 /nfs/dbraw/zinc/41/78/90/387417890.db2.gz GAZDSRMHUALZBO-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH3+] ZINC000423772757 387419845 /nfs/dbraw/zinc/41/98/45/387419845.db2.gz LNQYQQCSCUFICP-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423778012 387423331 /nfs/dbraw/zinc/42/33/31/387423331.db2.gz SHYPKSZCTXHWTL-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304648800 387498380 /nfs/dbraw/zinc/49/83/80/387498380.db2.gz YCDHOIQHHSSEFQ-JQWIXIFHSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304648800 387498385 /nfs/dbraw/zinc/49/83/85/387498385.db2.gz YCDHOIQHHSSEFQ-JQWIXIFHSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000424016063 387466807 /nfs/dbraw/zinc/46/68/07/387466807.db2.gz BBOGDXFGXBTXEF-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000114072916 387470583 /nfs/dbraw/zinc/47/05/83/387470583.db2.gz CURNRDSNYPDDFM-LBPRGKRZSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[C@@H](NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000643507032 387475506 /nfs/dbraw/zinc/47/55/06/387475506.db2.gz QHDRALUKWTWPNE-CMPLNLGQSA-N 2 1 223.364 0.953 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304487090 387488778 /nfs/dbraw/zinc/48/87/78/387488778.db2.gz HJGRVBHQOWMSTD-LBPRGKRZSA-N 2 1 226.320 0.625 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304487090 387488779 /nfs/dbraw/zinc/48/87/79/387488779.db2.gz HJGRVBHQOWMSTD-LBPRGKRZSA-N 2 1 226.320 0.625 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000362182204 387582839 /nfs/dbraw/zinc/58/28/39/387582839.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362182204 387582844 /nfs/dbraw/zinc/58/28/44/387582844.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362182204 387582847 /nfs/dbraw/zinc/58/28/47/387582847.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 2 1 244.379 0.798 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000375852739 387587846 /nfs/dbraw/zinc/58/78/46/387587846.db2.gz VBWBZBCTJAYUKF-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000375912752 387591915 /nfs/dbraw/zinc/59/19/15/387591915.db2.gz QYUFKTBRTSSEFQ-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)(N)c1noc(CN(CCO)C2CC2)n1 ZINC000430592632 387629832 /nfs/dbraw/zinc/62/98/32/387629832.db2.gz CKKGRAPITDESBI-UHFFFAOYSA-N 2 1 240.307 0.220 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422712261 387626367 /nfs/dbraw/zinc/62/63/67/387626367.db2.gz NUDKDOZLQUYEDE-UPJWGTAASA-N 2 1 241.379 0.567 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422712261 387626372 /nfs/dbraw/zinc/62/63/72/387626372.db2.gz NUDKDOZLQUYEDE-UPJWGTAASA-N 2 1 241.379 0.567 20 0 BCADMP C[C@H](O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305688378 387626428 /nfs/dbraw/zinc/62/64/28/387626428.db2.gz QSDGZZGQADSNHY-ZDUSSCGKSA-N 2 1 243.395 0.327 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000305112188 387555457 /nfs/dbraw/zinc/55/54/57/387555457.db2.gz GJDBWGMLTWNBCZ-MNOVXSKESA-N 2 1 244.379 0.845 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCOCC1 ZINC000430553023 387627301 /nfs/dbraw/zinc/62/73/01/387627301.db2.gz SOJCRXHDRWPZQB-GFCCVEGCSA-N 2 1 229.368 0.282 20 0 BCADMP CC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305685277 387627424 /nfs/dbraw/zinc/62/74/24/387627424.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000305685277 387627427 /nfs/dbraw/zinc/62/74/27/387627427.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000305685277 387627430 /nfs/dbraw/zinc/62/74/30/387627430.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375723332 387573043 /nfs/dbraw/zinc/57/30/43/387573043.db2.gz PEULXZVUCNJAJA-GARJFASQSA-N 2 1 226.320 0.289 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CCCN1CCOCC1)C1CC1 ZINC000430583137 387630566 /nfs/dbraw/zinc/63/05/66/387630566.db2.gz MEUAINKKWDURFJ-ZDUSSCGKSA-N 2 1 241.379 0.426 20 0 BCADMP CCCC[N@@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691492 387633874 /nfs/dbraw/zinc/63/38/74/387633874.db2.gz FZVWIVFOJORUFR-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422734823 387642482 /nfs/dbraw/zinc/64/24/82/387642482.db2.gz CZZGNRMMELYPSI-UTUOFQBUSA-N 2 1 213.369 0.914 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H]2CC[NH2+]C2)[nH+]1 ZINC000430720834 387645061 /nfs/dbraw/zinc/64/50/61/387645061.db2.gz NJKMPBFNTLLDMI-NSHDSACASA-N 2 1 248.330 0.528 20 0 BCADMP C[C@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCCC[C@@H]1C ZINC000430742264 387647442 /nfs/dbraw/zinc/64/74/42/387647442.db2.gz LESPMRXLXYXVSP-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000430795660 387651774 /nfs/dbraw/zinc/65/17/74/387651774.db2.gz WCIRAYJDQUIMRG-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[C@H]([NH2+]CC1(C(N)=O)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422748143 387654178 /nfs/dbraw/zinc/65/41/78/387654178.db2.gz SDZWAEMHVQJBME-QWRGUYRKSA-N 2 1 239.363 0.762 20 0 BCADMP CC[C@@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422749860 387655107 /nfs/dbraw/zinc/65/51/07/387655107.db2.gz BEEFMYFAMNAUDY-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000430901307 387658978 /nfs/dbraw/zinc/65/89/78/387658978.db2.gz UEXFMSQOLDKMQG-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430920483 387661203 /nfs/dbraw/zinc/66/12/03/387661203.db2.gz PFQOVQKIFFPYQQ-WOPDTQHZSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430920483 387661205 /nfs/dbraw/zinc/66/12/05/387661205.db2.gz PFQOVQKIFFPYQQ-WOPDTQHZSA-N 2 1 241.379 0.911 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000527653824 387661780 /nfs/dbraw/zinc/66/17/80/387661780.db2.gz RUHDFNAHDKDEDW-UHFFFAOYSA-N 2 1 236.319 0.356 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+](C)CC1 ZINC000527653824 387661784 /nfs/dbraw/zinc/66/17/84/387661784.db2.gz RUHDFNAHDKDEDW-UHFFFAOYSA-N 2 1 236.319 0.356 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932886 387663073 /nfs/dbraw/zinc/66/30/73/387663073.db2.gz GRRUMFLVXGIYCF-UTUOFQBUSA-N 2 1 239.363 0.665 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932886 387663077 /nfs/dbraw/zinc/66/30/77/387663077.db2.gz GRRUMFLVXGIYCF-UTUOFQBUSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958872 387663278 /nfs/dbraw/zinc/66/32/78/387663278.db2.gz ZNGOGAKEFWLHEE-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000430958872 387663281 /nfs/dbraw/zinc/66/32/81/387663281.db2.gz ZNGOGAKEFWLHEE-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[NH3+] ZINC000431010872 387669888 /nfs/dbraw/zinc/66/98/88/387669888.db2.gz SFQLKKHXDQNPJN-SNVBAGLBSA-N 2 1 222.292 0.141 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025369 387669980 /nfs/dbraw/zinc/66/99/80/387669980.db2.gz YZKCFKPIIMPVKR-FOGDFJRCSA-N 2 1 237.347 0.195 20 0 BCADMP Cc1noc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431036910 387672017 /nfs/dbraw/zinc/67/20/17/387672017.db2.gz HLHTZEWHVOBARD-UHFFFAOYSA-N 2 1 236.319 0.954 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])C1CC[NH+](C)CC1 ZINC000643519933 387672312 /nfs/dbraw/zinc/67/23/12/387672312.db2.gz JAHGZQPLOANVLP-VIFPVBQESA-N 2 1 235.322 0.900 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424138563 387673128 /nfs/dbraw/zinc/67/31/28/387673128.db2.gz DGCJQGRONRICKW-MMWGEVLESA-N 2 1 225.336 0.275 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422777188 387675843 /nfs/dbraw/zinc/67/58/43/387675843.db2.gz FQJLDNMVRDCVCW-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422743141 387688808 /nfs/dbraw/zinc/68/88/08/387688808.db2.gz HZRHXBWSIYJMEF-QWHCGFSZSA-N 2 1 241.379 0.295 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422743158 387690615 /nfs/dbraw/zinc/69/06/15/387690615.db2.gz IBPARIMWEBVKGU-WDEREUQCSA-N 2 1 239.363 0.620 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCC(=O)NC1)[C@@H]1CCCC[NH2+]1 ZINC000422743729 387691437 /nfs/dbraw/zinc/69/14/37/387691437.db2.gz JCSGDWIRKJMUCG-SRVKXCTJSA-N 2 1 239.363 0.775 20 0 BCADMP CC[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422871469 387748556 /nfs/dbraw/zinc/74/85/56/387748556.db2.gz YZPFMBUKCOGNLH-QJPTWQEYSA-N 2 1 214.353 0.983 20 0 BCADMP CC[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000422875910 387752910 /nfs/dbraw/zinc/75/29/10/387752910.db2.gz DKYISKXJWZSAJT-NEPJUHHUSA-N 2 1 211.353 0.940 20 0 BCADMP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367811726 387754150 /nfs/dbraw/zinc/75/41/50/387754150.db2.gz VJVQCEKBSSDBPS-AVGNSLFASA-N 2 1 249.358 0.149 20 0 BCADMP C[NH+](C/C=C\C[N@@H+](C)CCCO)CCCO ZINC000440955774 387717793 /nfs/dbraw/zinc/71/77/93/387717793.db2.gz YECRMHMVODMPJQ-ARJAWSKDSA-N 2 1 230.352 0.171 20 0 BCADMP CN(C)[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828083 387722714 /nfs/dbraw/zinc/72/27/14/387722714.db2.gz SSDFZLGQSLSLBZ-SRVKXCTJSA-N 2 1 243.420 0.893 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422840737 387732818 /nfs/dbraw/zinc/73/28/18/387732818.db2.gz CAFYVSAESPHKPC-VXGBXAGGSA-N 2 1 231.384 0.670 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422840737 387732825 /nfs/dbraw/zinc/73/28/25/387732825.db2.gz CAFYVSAESPHKPC-VXGBXAGGSA-N 3 1 231.384 0.670 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422840737 387732831 /nfs/dbraw/zinc/73/28/31/387732831.db2.gz CAFYVSAESPHKPC-VXGBXAGGSA-N 3 1 231.384 0.670 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422841396 387732994 /nfs/dbraw/zinc/73/29/94/387732994.db2.gz CWOQYDVKLSURRM-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422841396 387733001 /nfs/dbraw/zinc/73/30/01/387733001.db2.gz CWOQYDVKLSURRM-QWHCGFSZSA-N 3 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422841396 387733005 /nfs/dbraw/zinc/73/30/05/387733005.db2.gz CWOQYDVKLSURRM-QWHCGFSZSA-N 3 1 243.395 0.672 20 0 BCADMP COCCN(C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422841396 387733008 /nfs/dbraw/zinc/73/30/08/387733008.db2.gz CWOQYDVKLSURRM-QWHCGFSZSA-N 2 1 243.395 0.672 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000128063941 387733826 /nfs/dbraw/zinc/73/38/26/387733826.db2.gz XZMRGPZWUMIJBC-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422847921 387734900 /nfs/dbraw/zinc/73/49/00/387734900.db2.gz AEOZRPTVKQNIIK-MROQNXINSA-N 2 1 242.363 0.911 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424142532 387734894 /nfs/dbraw/zinc/73/48/94/387734894.db2.gz YKHXNEBCUBMROU-ZRUFSTJUSA-N 2 1 223.320 0.077 20 0 BCADMP CC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128123064 387736886 /nfs/dbraw/zinc/73/68/86/387736886.db2.gz IFSBFPZPGZIWMU-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892905 387763677 /nfs/dbraw/zinc/76/36/77/387763677.db2.gz ZSDWLCWJDGTOBS-RWMBFGLXSA-N 2 1 241.379 0.437 20 0 BCADMP CO[C@H](C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422908129 387768506 /nfs/dbraw/zinc/76/85/06/387768506.db2.gz YEZOYEGRLXVDIG-MXWKQRLJSA-N 2 1 200.326 0.999 20 0 BCADMP CO[C@H](C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422908127 387769380 /nfs/dbraw/zinc/76/93/80/387769380.db2.gz YEZOYEGRLXVDIG-GMTAPVOTSA-N 2 1 200.326 0.999 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422912880 387771741 /nfs/dbraw/zinc/77/17/41/387771741.db2.gz XFUKMAGYOADBTD-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422912880 387771745 /nfs/dbraw/zinc/77/17/45/387771745.db2.gz XFUKMAGYOADBTD-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912879 387772100 /nfs/dbraw/zinc/77/21/00/387772100.db2.gz XFUKMAGYOADBTD-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912879 387772105 /nfs/dbraw/zinc/77/21/05/387772105.db2.gz XFUKMAGYOADBTD-CHWSQXEVSA-N 2 1 243.395 0.814 20 0 BCADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[NH3+])CO2 ZINC000643529579 387776432 /nfs/dbraw/zinc/77/64/32/387776432.db2.gz CHGWUEBNYAJFKF-ONGXEEELSA-N 2 1 236.315 0.936 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)CO ZINC000309442165 387779196 /nfs/dbraw/zinc/77/91/96/387779196.db2.gz OHLUASQZHHDBDK-CKYFFXLPSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)CO ZINC000309442165 387779202 /nfs/dbraw/zinc/77/92/02/387779202.db2.gz OHLUASQZHHDBDK-CKYFFXLPSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)C)C1 ZINC000564049965 387812441 /nfs/dbraw/zinc/81/24/41/387812441.db2.gz VSZQAJWBWPZACB-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[NH2+]1 ZINC000422937333 387782625 /nfs/dbraw/zinc/78/26/25/387782625.db2.gz JMOGOXICZLBAEU-DLOVCJGASA-N 2 1 234.347 0.997 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CCSC1)[C@H]1CCC[NH2+]1 ZINC000422989667 387798970 /nfs/dbraw/zinc/79/89/70/387798970.db2.gz BAOXZNSLGUJVMU-GMTAPVOTSA-N 2 1 230.377 0.585 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424152818 387799868 /nfs/dbraw/zinc/79/98/68/387799868.db2.gz JAHLMJWPLRLBRG-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422991365 387800888 /nfs/dbraw/zinc/80/08/88/387800888.db2.gz PMVUFIRJMVUZMH-GARJFASQSA-N 2 1 200.326 0.591 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997927 387805033 /nfs/dbraw/zinc/80/50/33/387805033.db2.gz VOIABIILGZDGOS-VWYCJHECSA-N 2 1 200.326 0.733 20 0 BCADMP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442659453 387810971 /nfs/dbraw/zinc/81/09/71/387810971.db2.gz KPHUXKYOXBFVOC-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442659453 387810974 /nfs/dbraw/zinc/81/09/74/387810974.db2.gz KPHUXKYOXBFVOC-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422886971 387761144 /nfs/dbraw/zinc/76/11/44/387761144.db2.gz AFYJFHSQWKJCBV-VWYCJHECSA-N 2 1 200.326 0.735 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422973606 387823776 /nfs/dbraw/zinc/82/37/76/387823776.db2.gz CGXXISWLLRKCGK-CHWFTXMASA-N 2 1 232.393 0.829 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH2+]C)C[C@H]1C ZINC000418324177 387830149 /nfs/dbraw/zinc/83/01/49/387830149.db2.gz HGXBTCBCRMQIKL-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1COC1 ZINC000528026865 387831747 /nfs/dbraw/zinc/83/17/47/387831747.db2.gz REUAJOCJXHCRLE-JFGNBEQYSA-N 2 1 212.337 0.951 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442794561 387840733 /nfs/dbraw/zinc/84/07/33/387840733.db2.gz TZBCZGSHPODVQO-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000442792519 387840780 /nfs/dbraw/zinc/84/07/80/387840780.db2.gz QHVSIVAYKQVARA-SRVKXCTJSA-N 2 1 239.363 0.665 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423031333 387845370 /nfs/dbraw/zinc/84/53/70/387845370.db2.gz XBXKOAXTRXBXPO-WISYIIOYSA-N 2 1 239.363 0.489 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423031563 387846534 /nfs/dbraw/zinc/84/65/34/387846534.db2.gz XCUPJSCVPNYDNV-WYUUTHIRSA-N 2 1 239.363 0.631 20 0 BCADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423036930 387850601 /nfs/dbraw/zinc/85/06/01/387850601.db2.gz LZCRFEWRGHMBJQ-MROQNXINSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@H]1[C@H](NC2CC[NH2+]CC2)CCC[N@H+]1C ZINC000423036410 387851332 /nfs/dbraw/zinc/85/13/32/387851332.db2.gz TZOWDYWYQQUECS-CMPLNLGQSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H]1[C@H]([NH2+]C2CC[NH2+]CC2)CCCN1C ZINC000423036410 387851335 /nfs/dbraw/zinc/85/13/35/387851335.db2.gz TZOWDYWYQQUECS-CMPLNLGQSA-N 2 1 211.353 0.811 20 0 BCADMP CC1=CC[N@@H+](CCN[C@@H](C)C2C[NH2+]C2)CC1 ZINC000423041899 387856166 /nfs/dbraw/zinc/85/61/66/387856166.db2.gz YBEWBIQPPVUBSC-LBPRGKRZSA-N 2 1 223.364 0.836 20 0 BCADMP CC1=CCN(CC[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000423041899 387856168 /nfs/dbraw/zinc/85/61/68/387856168.db2.gz YBEWBIQPPVUBSC-LBPRGKRZSA-N 2 1 223.364 0.836 20 0 BCADMP CC(C)NC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613772 387857647 /nfs/dbraw/zinc/85/76/47/387857647.db2.gz BSBVKQVJZWYBPT-TXEJJXNPSA-N 2 1 239.363 0.395 20 0 BCADMP CC(C)NC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193613772 387857652 /nfs/dbraw/zinc/85/76/52/387857652.db2.gz BSBVKQVJZWYBPT-TXEJJXNPSA-N 2 1 239.363 0.395 20 0 BCADMP Cn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC000193611538 387857832 /nfs/dbraw/zinc/85/78/32/387857832.db2.gz JYGWKJJXGNYARW-TXEJJXNPSA-N 2 1 220.320 0.414 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193605446 387859810 /nfs/dbraw/zinc/85/98/10/387859810.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193605446 387859811 /nfs/dbraw/zinc/85/98/11/387859811.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP CCOC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193605446 387859816 /nfs/dbraw/zinc/85/98/16/387859816.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP CCOC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193605446 387859817 /nfs/dbraw/zinc/85/98/17/387859817.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 2 1 226.320 0.433 20 0 BCADMP C[N@@H+]1C[C@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2C1 ZINC000193651447 387860357 /nfs/dbraw/zinc/86/03/57/387860357.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536242 387867214 /nfs/dbraw/zinc/86/72/14/387867214.db2.gz OZYMGANMVXZUOY-WOPDTQHZSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536236 387867695 /nfs/dbraw/zinc/86/76/95/387867695.db2.gz OZYMGANMVXZUOY-IJLUTSLNSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537372 387874671 /nfs/dbraw/zinc/87/46/71/387874671.db2.gz GGAHJMNPXJNKJY-VPOLOUISSA-N 2 1 215.316 0.226 20 0 BCADMP C[NH+](C)CCOCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000423065173 387868305 /nfs/dbraw/zinc/86/83/05/387868305.db2.gz AXEZJJDORZBODG-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP C[NH+](C)CCOCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423065173 387868307 /nfs/dbraw/zinc/86/83/07/387868307.db2.gz AXEZJJDORZBODG-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP C[C@@H](N)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659113 387814265 /nfs/dbraw/zinc/81/42/65/387814265.db2.gz KIFSBHQEBKEIOP-NEPJUHHUSA-N 2 1 243.395 0.358 20 0 BCADMP C[C@@H]([NH3+])CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659113 387814271 /nfs/dbraw/zinc/81/42/71/387814271.db2.gz KIFSBHQEBKEIOP-NEPJUHHUSA-N 2 1 243.395 0.358 20 0 BCADMP CC[C@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1CCOC ZINC000442654355 387814887 /nfs/dbraw/zinc/81/48/87/387814887.db2.gz BFIHYMWILKSGTA-RYUDHWBXSA-N 2 1 229.368 0.376 20 0 BCADMP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000442654291 387815139 /nfs/dbraw/zinc/81/51/39/387815139.db2.gz AYDFZLNEGSLGPZ-IJLUTSLNSA-N 2 1 229.368 0.111 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000423104774 387890953 /nfs/dbraw/zinc/89/09/53/387890953.db2.gz MRBGLFPKOSXMTB-GHMZBOCLSA-N 2 1 212.337 0.879 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000444645123 387894226 /nfs/dbraw/zinc/89/42/26/387894226.db2.gz XCPWKGNXRJEFDH-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538400 387876162 /nfs/dbraw/zinc/87/61/62/387876162.db2.gz JIXYQSHESIDSTG-BJDJZHNGSA-N 2 1 229.343 0.794 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645856744 387876263 /nfs/dbraw/zinc/87/62/63/387876263.db2.gz VIRODVOKKLPNGE-SNVBAGLBSA-N 2 1 227.352 0.441 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCO ZINC000423084271 387878384 /nfs/dbraw/zinc/87/83/84/387878384.db2.gz HISLHCXEBFPPNR-MNOVXSKESA-N 2 1 200.326 0.737 20 0 BCADMP CC[C@H](C(=O)NCC[NH+]1CCC1)[NH+](CC)CC ZINC000443971536 387879265 /nfs/dbraw/zinc/87/92/65/387879265.db2.gz KUHZNZISCURTKW-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH+]1CCC1 ZINC000443971057 387879639 /nfs/dbraw/zinc/87/96/39/387879639.db2.gz KMPQTYJECKJWEV-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745884 387882879 /nfs/dbraw/zinc/88/28/79/387882879.db2.gz UFUHYSQVJAAULN-JTQLQIEISA-N 2 1 225.336 0.195 20 0 BCADMP OCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157939758 387885669 /nfs/dbraw/zinc/88/56/69/387885669.db2.gz RHWNFUPQQNRWHW-NWDGAFQWSA-N 2 1 212.337 0.975 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423138681 387915735 /nfs/dbraw/zinc/91/57/35/387915735.db2.gz JUHVTPSDDQQWHR-JLLWLGSASA-N 2 1 212.337 0.593 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423138680 387916437 /nfs/dbraw/zinc/91/64/37/387916437.db2.gz JUHVTPSDDQQWHR-ADEWGFFLSA-N 2 1 212.337 0.593 20 0 BCADMP COC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000237238498 387924630 /nfs/dbraw/zinc/92/46/30/387924630.db2.gz HTPNAKABNQRDER-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000237165160 387925425 /nfs/dbraw/zinc/92/54/25/387925425.db2.gz HTPNAKABNQRDER-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148840 387927767 /nfs/dbraw/zinc/92/77/67/387927767.db2.gz WRHMMDDWGQXUBF-AVGNSLFASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H](CCO)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423148776 387928408 /nfs/dbraw/zinc/92/84/08/387928408.db2.gz WMYCTBMBIZNCOY-QJPTWQEYSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1Cc1ncnn1C)CC[NH2+]CC2 ZINC000424288042 387952934 /nfs/dbraw/zinc/95/29/34/387952934.db2.gz JVIFNXLDRJVHTF-LLVKDONJSA-N 2 1 249.362 0.779 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245512724 387954000 /nfs/dbraw/zinc/95/40/00/387954000.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245512724 387954005 /nfs/dbraw/zinc/95/40/05/387954005.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245512724 387954011 /nfs/dbraw/zinc/95/40/11/387954011.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423157556 387937614 /nfs/dbraw/zinc/93/76/14/387937614.db2.gz BEMAMKFWULKSJF-USWWRNFRSA-N 2 1 212.337 0.735 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423156964 387937635 /nfs/dbraw/zinc/93/76/35/387937635.db2.gz LUXYVHUNBLWSHA-WISYIIOYSA-N 2 1 212.337 0.735 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726688 387942430 /nfs/dbraw/zinc/94/24/30/387942430.db2.gz DBBJGEUQUUHWJV-SCVCMEIPSA-N 2 1 239.363 0.713 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156222672 387943409 /nfs/dbraw/zinc/94/34/09/387943409.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156222672 387943413 /nfs/dbraw/zinc/94/34/13/387943413.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156222672 387943419 /nfs/dbraw/zinc/94/34/19/387943419.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 2 1 243.395 0.637 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423163614 387945003 /nfs/dbraw/zinc/94/50/03/387945003.db2.gz MZQQMJLIHAPEBA-WRWGMCAJSA-N 2 1 212.337 0.735 20 0 BCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000158602085 387959463 /nfs/dbraw/zinc/95/94/63/387959463.db2.gz OXCPHJQEJAXDRE-SNVBAGLBSA-N 2 1 212.341 0.980 20 0 BCADMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423176038 387961963 /nfs/dbraw/zinc/96/19/63/387961963.db2.gz BQEYFYDKYKEDSN-OLZOCXBDSA-N 3 1 240.395 0.012 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400466968 387963474 /nfs/dbraw/zinc/96/34/74/387963474.db2.gz TXPYLUDXLFFLPZ-UTUOFQBUSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H]([NH2+]CC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423178070 387964553 /nfs/dbraw/zinc/96/45/53/387964553.db2.gz FQGOELUEFQAOGS-SNVBAGLBSA-N 2 1 231.303 0.877 20 0 BCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@H]1C ZINC000423195280 387979927 /nfs/dbraw/zinc/97/99/27/387979927.db2.gz ZFOUDIMLRMTLIK-GMTAPVOTSA-N 2 1 228.336 0.903 20 0 BCADMP C[NH2+]Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424338000 387980299 /nfs/dbraw/zinc/98/02/99/387980299.db2.gz MICMPHVQSNXEKV-UHFFFAOYSA-N 2 1 210.281 0.907 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196951 387981414 /nfs/dbraw/zinc/98/14/14/387981414.db2.gz XAAPJVBOPYMSQY-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423190087 387975340 /nfs/dbraw/zinc/97/53/40/387975340.db2.gz NKGPZKOINXECST-UTUOFQBUSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423190088 387976155 /nfs/dbraw/zinc/97/61/55/387976155.db2.gz NKGPZKOINXECST-WOPDTQHZSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453095023 387981736 /nfs/dbraw/zinc/98/17/36/387981736.db2.gz GUTBMLKJSXNXIV-ZYHUDNBSSA-N 2 1 226.320 0.723 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196998 387982150 /nfs/dbraw/zinc/98/21/50/387982150.db2.gz XENIDKKPRFSLPM-NTZNESFSSA-N 2 1 223.364 0.811 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645814149 387984785 /nfs/dbraw/zinc/98/47/85/387984785.db2.gz XPFTUCOMMYAYEM-SNVBAGLBSA-N 2 1 236.319 0.306 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637602 135092204 /nfs/dbraw/zinc/09/22/04/135092204.db2.gz LZEZANKEDGITEL-JTQLQIEISA-N 2 1 200.326 0.940 20 0 BCADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423242930 388025610 /nfs/dbraw/zinc/02/56/10/388025610.db2.gz JQDKHFOXHBEUNR-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000423230646 388015222 /nfs/dbraw/zinc/01/52/22/388015222.db2.gz DXYBWWYWCFBCKF-WDEREUQCSA-N 2 1 237.351 0.743 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363885 388016229 /nfs/dbraw/zinc/01/62/29/388016229.db2.gz QRVWWBVCEYQBPX-SRVKXCTJSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000446369197 388016762 /nfs/dbraw/zinc/01/67/62/388016762.db2.gz LMWJXAJYGOEMGQ-XWLWVQCSSA-N 2 1 243.326 0.285 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000446374968 388016795 /nfs/dbraw/zinc/01/67/95/388016795.db2.gz RVEFRBQVHMUWCM-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000446374120 388017333 /nfs/dbraw/zinc/01/73/33/388017333.db2.gz FKNVQCUKBXYISZ-GARJFASQSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000446369195 388017378 /nfs/dbraw/zinc/01/73/78/388017378.db2.gz LMWJXAJYGOEMGQ-UKKRHICBSA-N 2 1 243.326 0.285 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257057 388019268 /nfs/dbraw/zinc/01/92/68/388019268.db2.gz DZNFTLWTMFCXAN-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257311 388019305 /nfs/dbraw/zinc/01/93/05/388019305.db2.gz GCSYDVDWLNKTOC-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257314 388019713 /nfs/dbraw/zinc/01/97/13/388019713.db2.gz GCSYDVDWLNKTOC-ZJUUUORDSA-N 2 1 225.336 0.467 20 0 BCADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000423237449 388020988 /nfs/dbraw/zinc/02/09/88/388020988.db2.gz DGXJLFMROHAVLE-SNVBAGLBSA-N 2 1 223.320 0.830 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000082276298 388020994 /nfs/dbraw/zinc/02/09/94/388020994.db2.gz XDVGEJXOXQGLMT-UHFFFAOYSA-N 2 1 233.315 0.684 20 0 BCADMP C[NH2+]CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000082276298 388020997 /nfs/dbraw/zinc/02/09/97/388020997.db2.gz XDVGEJXOXQGLMT-UHFFFAOYSA-N 2 1 233.315 0.684 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423257923 388037968 /nfs/dbraw/zinc/03/79/68/388037968.db2.gz ASNHBGLNSFKRTQ-STQMWFEESA-N 2 1 243.395 0.670 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000082645515 388038608 /nfs/dbraw/zinc/03/86/08/388038608.db2.gz ABSABHSCHMXMCO-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000082645515 388038611 /nfs/dbraw/zinc/03/86/11/388038611.db2.gz ABSABHSCHMXMCO-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000258909153 135135597 /nfs/dbraw/zinc/13/55/97/135135597.db2.gz FRGQADNIMFZKRA-LLVKDONJSA-N 2 1 214.353 0.935 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423244860 388028840 /nfs/dbraw/zinc/02/88/40/388028840.db2.gz XWMOPMZQAUYLGW-UTUOFQBUSA-N 2 1 223.364 0.953 20 0 BCADMP COC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000156754388 388030835 /nfs/dbraw/zinc/03/08/35/388030835.db2.gz ZJOPYCOHLVZWSX-JTQLQIEISA-N 2 1 216.325 0.855 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370174 388055749 /nfs/dbraw/zinc/05/57/49/388055749.db2.gz QPNJGTHSBWJSDV-PZWNZHSQSA-N 2 1 212.337 0.828 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083903356 388064621 /nfs/dbraw/zinc/06/46/21/388064621.db2.gz DNXFMMHENCIWTO-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[NH3+])C1 ZINC000083903354 388065111 /nfs/dbraw/zinc/06/51/11/388065111.db2.gz GVXKFRBUDKVILR-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP C([NH2+][C@@H]1CCSC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789747 388096174 /nfs/dbraw/zinc/09/61/74/388096174.db2.gz GKVUKNWJOZFTFP-UTUOFQBUSA-N 2 1 242.388 0.945 20 0 BCADMP C([NH2+][C@@H]1CCSC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789747 388096176 /nfs/dbraw/zinc/09/61/76/388096176.db2.gz GKVUKNWJOZFTFP-UTUOFQBUSA-N 2 1 242.388 0.945 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447908807 388102506 /nfs/dbraw/zinc/10/25/06/388102506.db2.gz BYGSDMKOMNXYCC-VXGBXAGGSA-N 2 1 239.319 0.321 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423266603 388045775 /nfs/dbraw/zinc/04/57/75/388045775.db2.gz DKPLJLZOLLJIPQ-TUAOUCFPSA-N 2 1 213.369 0.820 20 0 BCADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000453331457 388049064 /nfs/dbraw/zinc/04/90/64/388049064.db2.gz FKTBXWVAKVYCHB-VXGBXAGGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449242264 388160903 /nfs/dbraw/zinc/16/09/03/388160903.db2.gz DZLBVCGJRXAJSM-GMTAPVOTSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449242264 388160904 /nfs/dbraw/zinc/16/09/04/388160904.db2.gz DZLBVCGJRXAJSM-GMTAPVOTSA-N 2 1 230.377 0.394 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000646185812 388161125 /nfs/dbraw/zinc/16/11/25/388161125.db2.gz KJLRIYRAYGYGDL-DCAQKATOSA-N 2 1 242.367 0.506 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC000455652265 388165311 /nfs/dbraw/zinc/16/53/11/388165311.db2.gz HNLIQCGQMMLKPB-UHFFFAOYSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222568 388167807 /nfs/dbraw/zinc/16/78/07/388167807.db2.gz JGZAJBDQCINXRV-KOLCDFICSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297375 388178270 /nfs/dbraw/zinc/17/82/70/388178270.db2.gz DRFSKJCLNPIYMX-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[N@H+]1C ZINC000648716111 388130261 /nfs/dbraw/zinc/13/02/61/388130261.db2.gz WCUGEDQQHBNMGT-GHMZBOCLSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@H]1CC[NH2+]C1 ZINC000646070928 388137083 /nfs/dbraw/zinc/13/70/83/388137083.db2.gz WSTZSOYYAFPOBF-ZJUUUORDSA-N 2 1 209.293 0.967 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[N@H+]1C ZINC000646077534 388138541 /nfs/dbraw/zinc/13/85/41/388138541.db2.gz UASMMDYZHVVVST-GMTAPVOTSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449102785 388142877 /nfs/dbraw/zinc/14/28/77/388142877.db2.gz LPYAFIAYHLDFQY-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000449101486 388142969 /nfs/dbraw/zinc/14/29/69/388142969.db2.gz FKQZSAOAOUVALM-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449123267 388145290 /nfs/dbraw/zinc/14/52/90/388145290.db2.gz NNQHZTZQCBNICO-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661711 388249595 /nfs/dbraw/zinc/24/95/95/388249595.db2.gz CYKRJNZYKLHBPQ-SECBINFHSA-N 2 1 249.305 0.442 20 0 BCADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000166161512 388254598 /nfs/dbraw/zinc/25/45/98/388254598.db2.gz UEOLLFJSHKLSEK-ZYHUDNBSSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000449571966 388235773 /nfs/dbraw/zinc/23/57/73/388235773.db2.gz LSDFPONHGGAEHM-LBPRGKRZSA-N 2 1 243.326 0.146 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000449608892 388241210 /nfs/dbraw/zinc/24/12/10/388241210.db2.gz LDBWYRUJHVFHSK-CYBMUJFWSA-N 2 1 249.358 0.972 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000449608892 388241213 /nfs/dbraw/zinc/24/12/13/388241213.db2.gz LDBWYRUJHVFHSK-CYBMUJFWSA-N 2 1 249.358 0.972 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491841425 388324382 /nfs/dbraw/zinc/32/43/82/388324382.db2.gz CGUIQVGZKPIJPS-VOTSOKGWSA-N 2 1 227.352 0.561 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491869765 388325412 /nfs/dbraw/zinc/32/54/12/388325412.db2.gz NMXVTISRUGEUNA-QRGHLMKCSA-N 2 1 225.336 0.267 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000491880168 388325876 /nfs/dbraw/zinc/32/58/76/388325876.db2.gz BZISLKLBPTZCTI-WYGGZMRJSA-N 2 1 225.336 0.172 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491881091 388326184 /nfs/dbraw/zinc/32/61/84/388326184.db2.gz GCQIPPNYIBUJQC-GUOLPTJISA-N 2 1 241.379 0.951 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953484 388269026 /nfs/dbraw/zinc/26/90/26/388269026.db2.gz VUUINCBMAJPNDP-NWDGAFQWSA-N 2 1 239.363 0.570 20 0 BCADMP CC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]C1 ZINC000645953381 388269070 /nfs/dbraw/zinc/26/90/70/388269070.db2.gz RKYYGHVHZXVGLC-NSHDSACASA-N 2 1 237.347 0.196 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953275 388269120 /nfs/dbraw/zinc/26/91/20/388269120.db2.gz MXBUIARBKZNVSG-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648782913 388351400 /nfs/dbraw/zinc/35/14/00/388351400.db2.gz HQSMDOUQLZVRQC-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648782913 388351403 /nfs/dbraw/zinc/35/14/03/388351403.db2.gz HQSMDOUQLZVRQC-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648782913 388351405 /nfs/dbraw/zinc/35/14/05/388351405.db2.gz HQSMDOUQLZVRQC-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000646430770 388358177 /nfs/dbraw/zinc/35/81/77/388358177.db2.gz HMIQZYRYLICGKW-LLVKDONJSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300392124 388364407 /nfs/dbraw/zinc/36/44/07/388364407.db2.gz YOBJUTLXEMDLQB-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+](CCOCC[NH3+])Cc1cncs1 ZINC000400338648 388369142 /nfs/dbraw/zinc/36/91/42/388369142.db2.gz GLVIOQLNMOKTQC-UHFFFAOYSA-N 2 1 215.322 0.550 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cncs1 ZINC000400338648 388369146 /nfs/dbraw/zinc/36/91/46/388369146.db2.gz GLVIOQLNMOKTQC-UHFFFAOYSA-N 2 1 215.322 0.550 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCCC1=O ZINC000572777900 388375412 /nfs/dbraw/zinc/37/54/12/388375412.db2.gz PPFWRDVDPQUPBO-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCCC1=O ZINC000572777900 388375416 /nfs/dbraw/zinc/37/54/16/388375416.db2.gz PPFWRDVDPQUPBO-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236766135 388383314 /nfs/dbraw/zinc/38/33/14/388383314.db2.gz BCENZLDKVQAILS-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236864510 388384496 /nfs/dbraw/zinc/38/44/96/388384496.db2.gz JVQQDEMXTDNDGT-CYBMUJFWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000236905537 388385752 /nfs/dbraw/zinc/38/57/52/388385752.db2.gz OCYJBKDPOFXACC-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP CC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000236905537 388385754 /nfs/dbraw/zinc/38/57/54/388385754.db2.gz OCYJBKDPOFXACC-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP COc1c(N)ncnc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572900041 388386668 /nfs/dbraw/zinc/38/66/68/388386668.db2.gz SSGKZXXBWDCMIA-DTWKUNHWSA-N 2 1 249.318 0.208 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000237066417 388388482 /nfs/dbraw/zinc/38/84/82/388388482.db2.gz VUCIBXMDWXQCRU-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)C[NH3+] ZINC000237079308 388389448 /nfs/dbraw/zinc/38/94/48/388389448.db2.gz QCSFXUZULMUBOS-LLVKDONJSA-N 2 1 241.379 0.772 20 0 BCADMP C[N@@H+](CCNC(=O)CC[NH3+])C1CCCCC1 ZINC000237142048 388390921 /nfs/dbraw/zinc/39/09/21/388390921.db2.gz DXWKXUSNNBAXJZ-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCO ZINC000314610764 388399594 /nfs/dbraw/zinc/39/95/94/388399594.db2.gz QPXCKSNZYZLNJY-UHFFFAOYSA-N 2 1 211.309 0.667 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCO ZINC000314610764 388399597 /nfs/dbraw/zinc/39/95/97/388399597.db2.gz QPXCKSNZYZLNJY-UHFFFAOYSA-N 2 1 211.309 0.667 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603391 256681307 /nfs/dbraw/zinc/68/13/07/256681307.db2.gz HQJUVOBLPZUWBX-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)OC ZINC000322837666 388448571 /nfs/dbraw/zinc/44/85/71/388448571.db2.gz DXAFSOYUMXZNDN-STQMWFEESA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837666 388448572 /nfs/dbraw/zinc/44/85/72/388448572.db2.gz DXAFSOYUMXZNDN-STQMWFEESA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+][C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045255 388448709 /nfs/dbraw/zinc/44/87/09/388448709.db2.gz MXHKVNHBKUZTNN-NEPJUHHUSA-N 2 1 237.347 0.420 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000646742804 388451654 /nfs/dbraw/zinc/45/16/54/388451654.db2.gz FGPSTRKRWINXTR-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000646742802 388451779 /nfs/dbraw/zinc/45/17/79/388451779.db2.gz FGPSTRKRWINXTR-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH2+]CCOC[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000515346123 256741569 /nfs/dbraw/zinc/74/15/69/256741569.db2.gz OCOGNYCFQGKWKC-RWMBFGLXSA-N 2 1 242.363 0.912 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336726944 388470397 /nfs/dbraw/zinc/47/03/97/388470397.db2.gz VQFGYHMYIZIXOL-QJPTWQEYSA-N 2 1 239.363 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336726944 388470400 /nfs/dbraw/zinc/47/04/00/388470400.db2.gz VQFGYHMYIZIXOL-QJPTWQEYSA-N 2 1 239.363 0.572 20 0 BCADMP C([C@H]1CCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393801678 388409860 /nfs/dbraw/zinc/40/98/60/388409860.db2.gz SYFJIPMISUBDLZ-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000646729189 388439023 /nfs/dbraw/zinc/43/90/23/388439023.db2.gz CYNMAIOTCHDECJ-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926887 388541317 /nfs/dbraw/zinc/54/13/17/388541317.db2.gz YNDHUIAPPASACH-HNGCFSAESA-N 2 1 242.363 0.551 20 0 BCADMP COC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926887 388541321 /nfs/dbraw/zinc/54/13/21/388541321.db2.gz YNDHUIAPPASACH-HNGCFSAESA-N 2 1 242.363 0.551 20 0 BCADMP COC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352926887 388541325 /nfs/dbraw/zinc/54/13/25/388541325.db2.gz YNDHUIAPPASACH-HNGCFSAESA-N 2 1 242.363 0.551 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000517210652 388541717 /nfs/dbraw/zinc/54/17/17/388541717.db2.gz PQYOSNYBBZTFQW-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000517210652 388541719 /nfs/dbraw/zinc/54/17/19/388541719.db2.gz PQYOSNYBBZTFQW-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310582778 388485751 /nfs/dbraw/zinc/48/57/51/388485751.db2.gz RXRNMYUFOPWZDB-UTUOFQBUSA-N 2 1 240.347 0.869 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCC[N@H+]1C ZINC000649274227 388487359 /nfs/dbraw/zinc/48/73/59/388487359.db2.gz XWELBTSDXVJZGW-LLVKDONJSA-N 2 1 241.379 0.914 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000340409465 388490954 /nfs/dbraw/zinc/49/09/54/388490954.db2.gz BFEAEYWXEQWSIZ-NEPJUHHUSA-N 2 1 228.336 0.210 20 0 BCADMP c1cn(CCN[C@H]2CCn3ccnc32)cn1 ZINC000345346674 388512717 /nfs/dbraw/zinc/51/27/17/388512717.db2.gz KKWWLUDLNLYWRA-JTQLQIEISA-N 2 1 217.276 0.814 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868144 388520020 /nfs/dbraw/zinc/52/00/20/388520020.db2.gz UGPGFXZIKBXYCU-UTUOFQBUSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868144 388520023 /nfs/dbraw/zinc/52/00/23/388520023.db2.gz UGPGFXZIKBXYCU-UTUOFQBUSA-N 2 1 211.353 0.655 20 0 BCADMP CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000516867505 388522738 /nfs/dbraw/zinc/52/27/38/388522738.db2.gz ZZDWMSVKYNLPGV-STQMWFEESA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@H]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000516867505 388522740 /nfs/dbraw/zinc/52/27/40/388522740.db2.gz ZZDWMSVKYNLPGV-STQMWFEESA-N 2 1 241.379 0.424 20 0 BCADMP COC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397114 388605246 /nfs/dbraw/zinc/60/52/46/388605246.db2.gz KMRCRNQSCJDQPU-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP COC[C@@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397114 388605248 /nfs/dbraw/zinc/60/52/48/388605248.db2.gz KMRCRNQSCJDQPU-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000517456802 388551103 /nfs/dbraw/zinc/55/11/03/388551103.db2.gz ZZMFRSXOPDJHCX-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358125723 388553649 /nfs/dbraw/zinc/55/36/49/388553649.db2.gz IOAAQHIFLBBEKF-NWDGAFQWSA-N 2 1 241.379 0.688 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301610 388584041 /nfs/dbraw/zinc/58/40/41/388584041.db2.gz GLJLIMIQVDAGPV-OBPIAQAESA-N 2 1 249.358 0.195 20 0 BCADMP CCC[NH+]1CCC(NC[C@H]2COCC[NH2+]2)CC1 ZINC000530180780 388622651 /nfs/dbraw/zinc/62/26/51/388622651.db2.gz AKTQCZXGHLJZTC-ZDUSSCGKSA-N 2 1 241.379 0.439 20 0 BCADMP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000530208592 388626273 /nfs/dbraw/zinc/62/62/73/388626273.db2.gz IDWJPKNGTUUTDD-CMPLNLGQSA-N 2 1 237.351 0.905 20 0 BCADMP C[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216146 388629945 /nfs/dbraw/zinc/62/99/45/388629945.db2.gz MWLBXMSQZHACCF-WDEREUQCSA-N 2 1 211.353 0.988 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530217281 388630172 /nfs/dbraw/zinc/63/01/72/388630172.db2.gz APGZJDAGTKHTFI-QTAHKJALSA-N 2 1 210.321 0.753 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219409 388632159 /nfs/dbraw/zinc/63/21/59/388632159.db2.gz LSCRFNDXMZFPOO-IJLUTSLNSA-N 2 1 223.364 0.811 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530222948 388634155 /nfs/dbraw/zinc/63/41/55/388634155.db2.gz IUIZWDKGAVBJDH-SRVKXCTJSA-N 2 1 227.352 0.082 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226248 388635787 /nfs/dbraw/zinc/63/57/87/388635787.db2.gz ZEJCUWPKNAPPIP-ZJUUUORDSA-N 2 1 225.336 0.385 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328394934 388642833 /nfs/dbraw/zinc/64/28/33/388642833.db2.gz PXNGMWPWRHCJOD-VHSXEESVSA-N 2 1 216.325 0.066 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904464 388649750 /nfs/dbraw/zinc/64/97/50/388649750.db2.gz QILUGIKPGFAOMH-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCSC2)CC[N@H+]1C ZINC000246945142 388655513 /nfs/dbraw/zinc/65/55/13/388655513.db2.gz HCVRNASDLQRFFZ-WOPDTQHZSA-N 2 1 244.404 0.927 20 0 BCADMP CCOCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212315 388735922 /nfs/dbraw/zinc/73/59/22/388735922.db2.gz RSQGBPBNTWGPKJ-LBPRGKRZSA-N 2 1 242.363 0.710 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248648002 388688581 /nfs/dbraw/zinc/68/85/81/388688581.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248648002 388688583 /nfs/dbraw/zinc/68/85/83/388688583.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248648002 388688587 /nfs/dbraw/zinc/68/85/87/388688587.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1CC1 ZINC000226397371 388718658 /nfs/dbraw/zinc/71/86/58/388718658.db2.gz WZYYBTAFGQMRSM-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](C(=O)NCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249512389 388725592 /nfs/dbraw/zinc/72/55/92/388725592.db2.gz OFJWXRJFGFFQKU-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000540022474 388793527 /nfs/dbraw/zinc/79/35/27/388793527.db2.gz PJNRKYCVCVNKRH-IJLUTSLNSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000252813086 388784531 /nfs/dbraw/zinc/78/45/31/388784531.db2.gz HXWDTMBLRKGART-WUHRBBMRSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000252813086 388784534 /nfs/dbraw/zinc/78/45/34/388784534.db2.gz HXWDTMBLRKGART-WUHRBBMRSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000252813088 388784759 /nfs/dbraw/zinc/78/47/59/388784759.db2.gz HXWDTMBLRKGART-YVECIDJPSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000252813088 388784764 /nfs/dbraw/zinc/78/47/64/388784764.db2.gz HXWDTMBLRKGART-YVECIDJPSA-N 2 1 224.348 0.853 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250485569 388790645 /nfs/dbraw/zinc/79/06/45/388790645.db2.gz YQEWDFQGNJLOBP-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[N@H+](C[C@H](O)CN1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836703 /nfs/dbraw/zinc/83/67/03/388836703.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836706 /nfs/dbraw/zinc/83/67/06/388836706.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836708 /nfs/dbraw/zinc/83/67/08/388836708.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836711 /nfs/dbraw/zinc/83/67/11/388836711.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836716 /nfs/dbraw/zinc/83/67/16/388836716.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)CO)C1CC1 ZINC000554936643 388836717 /nfs/dbraw/zinc/83/67/17/388836717.db2.gz YZLHPOGCUZIENY-QWHCGFSZSA-N 2 1 242.363 0.288 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735303 388881852 /nfs/dbraw/zinc/88/18/52/388881852.db2.gz ORIHFUPZTXAHHN-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000564988305 388902305 /nfs/dbraw/zinc/90/23/05/388902305.db2.gz AWXIPHFVSDEHOE-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129883379 388875054 /nfs/dbraw/zinc/87/50/54/388875054.db2.gz MKWXLKUBUAGUDO-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@](C)(O)C[NH2+]C ZINC000565095734 388913696 /nfs/dbraw/zinc/91/36/96/388913696.db2.gz PDPSTWRVBBSWAS-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918233 /nfs/dbraw/zinc/91/82/33/388918233.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918240 /nfs/dbraw/zinc/91/82/40/388918240.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918237 /nfs/dbraw/zinc/91/82/37/388918237.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918242 /nfs/dbraw/zinc/91/82/42/388918242.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918245 /nfs/dbraw/zinc/91/82/45/388918245.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918252 /nfs/dbraw/zinc/91/82/52/388918252.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918249 /nfs/dbraw/zinc/91/82/49/388918249.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 1 244.379 0.534 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919117 /nfs/dbraw/zinc/91/91/17/388919117.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919123 /nfs/dbraw/zinc/91/91/23/388919123.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919128 /nfs/dbraw/zinc/91/91/28/388919128.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919134 /nfs/dbraw/zinc/91/91/34/388919134.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919119 /nfs/dbraw/zinc/91/91/19/388919119.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919126 /nfs/dbraw/zinc/91/91/26/388919126.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919130 /nfs/dbraw/zinc/91/91/30/388919130.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@@H](C)O)CC1 ZINC000565165081 388919680 /nfs/dbraw/zinc/91/96/80/388919680.db2.gz QJELQEUSPUZZEM-GFCCVEGCSA-N 2 1 244.379 0.582 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+](C)C1(CO)CC1 ZINC000565165326 388920627 /nfs/dbraw/zinc/92/06/27/388920627.db2.gz RBMJPAJYURDXQE-UHFFFAOYSA-N 2 1 223.320 0.809 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)C1(CO)CC1 ZINC000565165326 388920625 /nfs/dbraw/zinc/92/06/25/388920625.db2.gz RBMJPAJYURDXQE-UHFFFAOYSA-N 2 1 223.320 0.809 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1(CO)CC1 ZINC000565165326 388920630 /nfs/dbraw/zinc/92/06/30/388920630.db2.gz RBMJPAJYURDXQE-UHFFFAOYSA-N 2 1 223.320 0.809 20 0 BCADMP CC(C)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565234692 388929917 /nfs/dbraw/zinc/92/99/17/388929917.db2.gz XEWDKORZHBFPGX-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308784 388934723 /nfs/dbraw/zinc/93/47/23/388934723.db2.gz DPHIMRIEVPMNTD-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+]CCc1ccccc1-c1nc(C[NH3+])no1 ZINC000565774158 388968496 /nfs/dbraw/zinc/96/84/96/388968496.db2.gz KTSMYVDPYSGIDK-UHFFFAOYSA-N 2 1 232.287 0.957 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000565886990 388977052 /nfs/dbraw/zinc/97/70/52/388977052.db2.gz JBYXKUVAVRIJAO-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ncnn2C)CC1 ZINC000083970081 133567144 /nfs/dbraw/zinc/56/71/44/133567144.db2.gz BGURGSQBBLZFIR-SECBINFHSA-N 2 1 223.324 0.374 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167528280 134003550 /nfs/dbraw/zinc/00/35/50/134003550.db2.gz WXKSXUQFOIJKDD-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022746 134037004 /nfs/dbraw/zinc/03/70/04/134037004.db2.gz QQNBFYYOBPUHOR-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022746 134037005 /nfs/dbraw/zinc/03/70/05/134037005.db2.gz QQNBFYYOBPUHOR-VXGBXAGGSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022745 134037199 /nfs/dbraw/zinc/03/71/99/134037199.db2.gz QQNBFYYOBPUHOR-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022745 134037200 /nfs/dbraw/zinc/03/72/00/134037200.db2.gz QQNBFYYOBPUHOR-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000336044508 134063051 /nfs/dbraw/zinc/06/30/51/134063051.db2.gz SQAXBSDSMYCRIW-SNVBAGLBSA-N 2 1 248.330 0.604 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@H]1O ZINC000352115824 134073057 /nfs/dbraw/zinc/07/30/57/134073057.db2.gz OXRCOVNJQMQWHT-RWMBFGLXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@H]1O ZINC000352115824 134073058 /nfs/dbraw/zinc/07/30/58/134073058.db2.gz OXRCOVNJQMQWHT-RWMBFGLXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1O)C1CC1 ZINC000352115824 134073059 /nfs/dbraw/zinc/07/30/59/134073059.db2.gz OXRCOVNJQMQWHT-RWMBFGLXSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1O)C1CC1 ZINC000352115824 134073060 /nfs/dbraw/zinc/07/30/60/134073060.db2.gz OXRCOVNJQMQWHT-RWMBFGLXSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000336091964 134079064 /nfs/dbraw/zinc/07/90/64/134079064.db2.gz VFEKGVYSJWNQKJ-PSASIEDQSA-N 2 1 243.376 0.235 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000336175212 134116733 /nfs/dbraw/zinc/11/67/33/134116733.db2.gz ZWRLTDIWYJCYNU-DGCLKSJQSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213350 134135435 /nfs/dbraw/zinc/13/54/35/134135435.db2.gz NRHZXORENDBSKJ-GXSJLCMTSA-N 2 1 237.347 0.467 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167604966 134152613 /nfs/dbraw/zinc/15/26/13/134152613.db2.gz SGHOMHGISUMJJO-DCAQKATOSA-N 2 1 200.326 0.938 20 0 BCADMP Cn1cncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000085170876 134224530 /nfs/dbraw/zinc/22/45/30/134224530.db2.gz ZFKXWZREBMTGPR-NSHDSACASA-N 2 1 222.336 0.981 20 0 BCADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COC ZINC000175593276 134288030 /nfs/dbraw/zinc/28/80/30/134288030.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 1 242.363 0.552 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220378759 134306217 /nfs/dbraw/zinc/30/62/17/134306217.db2.gz RSJFSDIKQKLAML-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC(=O)N[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178957817 134313772 /nfs/dbraw/zinc/31/37/72/134313772.db2.gz BSJRWLZHQSAZER-CYBMUJFWSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CSCN1 ZINC000178836272 134315713 /nfs/dbraw/zinc/31/57/13/134315713.db2.gz ZSCHSVXSZAKKKY-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP CCC[N@H+](CC)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000178836272 134315714 /nfs/dbraw/zinc/31/57/14/134315714.db2.gz ZSCHSVXSZAKKKY-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000178836272 134315715 /nfs/dbraw/zinc/31/57/15/134315715.db2.gz ZSCHSVXSZAKKKY-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178836235 134315833 /nfs/dbraw/zinc/31/58/33/134315833.db2.gz WRQFMAQSJKVKQU-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])[C@H](C)C1 ZINC000178814238 134315857 /nfs/dbraw/zinc/31/58/57/134315857.db2.gz VXAYLOZXHBEMTR-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CO)[C@@H](C)C1 ZINC000222602985 134333555 /nfs/dbraw/zinc/33/35/55/134333555.db2.gz BYPJZLPKGFKBCN-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223939212 134343644 /nfs/dbraw/zinc/34/36/44/134343644.db2.gz HASOKZOYZWMUNY-SRVKXCTJSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223939212 134343645 /nfs/dbraw/zinc/34/36/45/134343645.db2.gz HASOKZOYZWMUNY-SRVKXCTJSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000182342831 134343949 /nfs/dbraw/zinc/34/39/49/134343949.db2.gz AIFNCMFVXQTUJQ-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000182342831 134343950 /nfs/dbraw/zinc/34/39/50/134343950.db2.gz AIFNCMFVXQTUJQ-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000182342831 134343951 /nfs/dbraw/zinc/34/39/51/134343951.db2.gz AIFNCMFVXQTUJQ-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000226396653 134365095 /nfs/dbraw/zinc/36/50/95/134365095.db2.gz MGZVZGJJBAELFK-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000226394015 134365389 /nfs/dbraw/zinc/36/53/89/134365389.db2.gz JWGDVBQMOXBLPV-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000227712264 134384555 /nfs/dbraw/zinc/38/45/55/134384555.db2.gz QVNOYBUESTUPKG-SRVKXCTJSA-N 2 1 230.352 0.720 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)N(C)C ZINC000227736147 134385896 /nfs/dbraw/zinc/38/58/96/134385896.db2.gz KTHMDRYNOXTKEM-NSHDSACASA-N 2 1 229.368 0.770 20 0 BCADMP COC1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000134883245 134725935 /nfs/dbraw/zinc/72/59/35/134725935.db2.gz CFMADZUSGCRPJP-MOENNCHZSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251193612 135066398 /nfs/dbraw/zinc/06/63/98/135066398.db2.gz JNABZFOLBXJJQB-SRVKXCTJSA-N 2 1 239.363 0.857 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251837824 135079257 /nfs/dbraw/zinc/07/92/57/135079257.db2.gz QDCJJUHYKONMBA-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCCO1 ZINC000086435707 135084405 /nfs/dbraw/zinc/08/44/05/135084405.db2.gz TYUYKELUMQRZGY-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP Cc1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000086552453 135089449 /nfs/dbraw/zinc/08/94/49/135089449.db2.gz LNLYRLHINZHSGX-TXEJJXNPSA-N 2 1 220.320 0.380 20 0 BCADMP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000086552453 135089450 /nfs/dbraw/zinc/08/94/50/135089450.db2.gz LNLYRLHINZHSGX-TXEJJXNPSA-N 2 1 220.320 0.380 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(N)=O ZINC000252684686 135095158 /nfs/dbraw/zinc/09/51/58/135095158.db2.gz GVIYEDAWJYBCIP-BDAKNGLRSA-N 2 1 201.314 0.165 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(N)=O ZINC000252684686 135095160 /nfs/dbraw/zinc/09/51/60/135095160.db2.gz GVIYEDAWJYBCIP-BDAKNGLRSA-N 2 1 201.314 0.165 20 0 BCADMP COC(=O)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703725 135095428 /nfs/dbraw/zinc/09/54/28/135095428.db2.gz CCADXCKRTRHLGE-UHFFFAOYSA-N 2 1 226.320 0.623 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696556 135096630 /nfs/dbraw/zinc/09/66/30/135096630.db2.gz AZNPPFYCNAKKPC-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696556 135096632 /nfs/dbraw/zinc/09/66/32/135096632.db2.gz AZNPPFYCNAKKPC-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000252712368 135100325 /nfs/dbraw/zinc/10/03/25/135100325.db2.gz MFRHOGXEXLBVKN-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252730510 135103533 /nfs/dbraw/zinc/10/35/33/135103533.db2.gz LRKZTIXDQOWGIK-AGIUHOORSA-N 2 1 241.379 0.247 20 0 BCADMP COCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252770253 135108287 /nfs/dbraw/zinc/10/82/87/135108287.db2.gz HWIJTXRMNMKRIJ-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP COCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252770253 135108288 /nfs/dbraw/zinc/10/82/88/135108288.db2.gz HWIJTXRMNMKRIJ-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP O[C@@H]1CC[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC000252841124 135112626 /nfs/dbraw/zinc/11/26/26/135112626.db2.gz AJVJCGCVTHIMMM-SDDRHHMPSA-N 2 1 221.304 0.586 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261937024 135113129 /nfs/dbraw/zinc/11/31/29/135113129.db2.gz MGLZHRCJFYTOHM-NEPJUHHUSA-N 2 1 244.404 0.786 20 0 BCADMP C[C@@H](CCCO)[NH2+]C1CC[NH+](C)CC1 ZINC000087358336 135124093 /nfs/dbraw/zinc/12/40/93/135124093.db2.gz WSSMBZVKVFROQH-JTQLQIEISA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253202339 135124935 /nfs/dbraw/zinc/12/49/35/135124935.db2.gz YTBJIQMEKJBCIB-VWYCJHECSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253201791 135125120 /nfs/dbraw/zinc/12/51/20/135125120.db2.gz YHGXQHWCEHSTGM-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253201791 135125121 /nfs/dbraw/zinc/12/51/21/135125121.db2.gz YHGXQHWCEHSTGM-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000259193017 135137784 /nfs/dbraw/zinc/13/77/84/135137784.db2.gz WPAOQKSNXKABGT-SNVBAGLBSA-N 2 1 242.294 0.586 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000259193017 135137786 /nfs/dbraw/zinc/13/77/86/135137786.db2.gz WPAOQKSNXKABGT-SNVBAGLBSA-N 2 1 242.294 0.586 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669141 135138085 /nfs/dbraw/zinc/13/80/85/135138085.db2.gz HZNBWYBUTHUGRT-RYUDHWBXSA-N 2 1 210.321 0.708 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257680378 135139318 /nfs/dbraw/zinc/13/93/18/135139318.db2.gz KXFGZAMCQQCCHL-GFCCVEGCSA-N 2 1 220.320 0.904 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257680378 135139319 /nfs/dbraw/zinc/13/93/19/135139319.db2.gz KXFGZAMCQQCCHL-GFCCVEGCSA-N 2 1 220.320 0.904 20 0 BCADMP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000257697053 135139732 /nfs/dbraw/zinc/13/97/32/135139732.db2.gz KKHSNHFEXYUQCX-AWEZNQCLSA-N 2 1 246.358 0.561 20 0 BCADMP C[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000257738597 135140717 /nfs/dbraw/zinc/14/07/17/135140717.db2.gz XPLSVKOSNPDVSM-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCC(=O)N(C)C ZINC000087472825 135142548 /nfs/dbraw/zinc/14/25/48/135142548.db2.gz CNQOOKMXOINSRD-UHFFFAOYSA-N 2 1 201.314 0.006 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)C1C[NH2+]C1 ZINC000261532666 135163479 /nfs/dbraw/zinc/16/34/79/135163479.db2.gz BYBNNXBHDUHYSS-NXEZZACHSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)C1C[NH2+]C1 ZINC000261532666 135163481 /nfs/dbraw/zinc/16/34/81/135163481.db2.gz BYBNNXBHDUHYSS-NXEZZACHSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532971 135163910 /nfs/dbraw/zinc/16/39/10/135163910.db2.gz FBPZYWDOBFNSGN-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532971 135163911 /nfs/dbraw/zinc/16/39/11/135163911.db2.gz FBPZYWDOBFNSGN-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP COC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261533545 135165190 /nfs/dbraw/zinc/16/51/90/135165190.db2.gz KVSHIKBZWDNOPR-QMMMGPOBSA-N 2 1 200.282 0.219 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261533545 135165191 /nfs/dbraw/zinc/16/51/91/135165191.db2.gz KVSHIKBZWDNOPR-QMMMGPOBSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261534184 135166811 /nfs/dbraw/zinc/16/68/11/135166811.db2.gz OEKKUUMFGWNBMJ-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP COC[C@@](C)(CCO)[NH2+]CCn1cc[nH+]c1C ZINC000270817494 135172760 /nfs/dbraw/zinc/17/27/60/135172760.db2.gz APTRYDBRARMOSV-GFCCVEGCSA-N 2 1 241.335 0.569 20 0 BCADMP CC(C)OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537943 135174288 /nfs/dbraw/zinc/17/42/88/135174288.db2.gz WUZKQMVGIWWQBO-RYUDHWBXSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000261540383 135179293 /nfs/dbraw/zinc/17/92/93/135179293.db2.gz GIOFIMSFRWTMTO-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000261540383 135179294 /nfs/dbraw/zinc/17/92/94/135179294.db2.gz GIOFIMSFRWTMTO-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000261540638 135179969 /nfs/dbraw/zinc/17/99/69/135179969.db2.gz AICVTVGBWAFKIU-ZDUSSCGKSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000261540638 135179971 /nfs/dbraw/zinc/17/99/71/135179971.db2.gz AICVTVGBWAFKIU-ZDUSSCGKSA-N 2 1 239.363 0.670 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540765 135180034 /nfs/dbraw/zinc/18/00/34/135180034.db2.gz HUYRFCGXIDPIQF-WCQYABFASA-N 2 1 236.363 0.879 20 0 BCADMP C[NH2+]Cc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000261540847 135180267 /nfs/dbraw/zinc/18/02/67/135180267.db2.gz FIXDONLHCCFQHQ-UHFFFAOYSA-N 2 1 221.304 0.906 20 0 BCADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000261542687 135183389 /nfs/dbraw/zinc/18/33/89/135183389.db2.gz CGZFYHPLFPREKS-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000261543521 135184615 /nfs/dbraw/zinc/18/46/15/135184615.db2.gz UAUSAVAFGFJIHW-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000261543836 135184797 /nfs/dbraw/zinc/18/47/97/135184797.db2.gz VREWXRHMEIZWRI-SDDRHHMPSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261544760 135186271 /nfs/dbraw/zinc/18/62/71/135186271.db2.gz ZSEQYQPJPCQJJA-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261544760 135186272 /nfs/dbraw/zinc/18/62/72/135186272.db2.gz ZSEQYQPJPCQJJA-AAEUAGOBSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000261553342 135193045 /nfs/dbraw/zinc/19/30/45/135193045.db2.gz AEFSRYQSTKYTMU-AWEZNQCLSA-N 2 1 247.342 0.956 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000261553342 135193046 /nfs/dbraw/zinc/19/30/46/135193046.db2.gz AEFSRYQSTKYTMU-AWEZNQCLSA-N 2 1 247.342 0.956 20 0 BCADMP O[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC12CC2 ZINC000261559436 135200481 /nfs/dbraw/zinc/20/04/81/135200481.db2.gz ZDIRYHAIDNICHB-NSHDSACASA-N 2 1 210.321 0.443 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560114 135200768 /nfs/dbraw/zinc/20/07/68/135200768.db2.gz ZQHCJLDOZMRAKR-RYUDHWBXSA-N 2 1 212.337 0.690 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560113 135200861 /nfs/dbraw/zinc/20/08/61/135200861.db2.gz ZQHCJLDOZMRAKR-NWDGAFQWSA-N 2 1 212.337 0.690 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261561713 135202699 /nfs/dbraw/zinc/20/26/99/135202699.db2.gz VSBIQOGQMWDDQM-SNVBAGLBSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163893123 135209196 /nfs/dbraw/zinc/20/91/96/135209196.db2.gz YHGXQHWCEHSTGM-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163893123 135209198 /nfs/dbraw/zinc/20/91/98/135209198.db2.gz YHGXQHWCEHSTGM-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261568404 135210082 /nfs/dbraw/zinc/21/00/82/135210082.db2.gz FNYIBWDCGUCQCL-LLVKDONJSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261568404 135210084 /nfs/dbraw/zinc/21/00/84/135210084.db2.gz FNYIBWDCGUCQCL-LLVKDONJSA-N 2 1 208.309 0.889 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570374 135212514 /nfs/dbraw/zinc/21/25/14/135212514.db2.gz GUIVNZOKQWVKMX-BXKDBHETSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570374 135212516 /nfs/dbraw/zinc/21/25/16/135212516.db2.gz GUIVNZOKQWVKMX-BXKDBHETSA-N 2 1 225.336 0.324 20 0 BCADMP CN(CC(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261583033 135224438 /nfs/dbraw/zinc/22/44/38/135224438.db2.gz OUIATQINKXTFQI-LLVKDONJSA-N 2 1 211.353 0.892 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261586277 135227839 /nfs/dbraw/zinc/22/78/39/135227839.db2.gz QYRLABRQKGORSR-NKWVEPMBSA-N 2 1 223.267 0.070 20 0 BCADMP CCSCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261587275 135228786 /nfs/dbraw/zinc/22/87/86/135228786.db2.gz RQEVEGICVQJZEX-LBPRGKRZSA-N 2 1 243.420 0.719 20 0 BCADMP Cn1cnnc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261588549 135229510 /nfs/dbraw/zinc/22/95/10/135229510.db2.gz VTRORBYHLMAIJX-LBPRGKRZSA-N 2 1 249.362 0.952 20 0 BCADMP C(C1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261593454 135233269 /nfs/dbraw/zinc/23/32/69/135233269.db2.gz WWZZCQROCBYQLC-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@H](CNC(=O)CC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000261594001 135234425 /nfs/dbraw/zinc/23/44/25/135234425.db2.gz XGTARNGSBHWAEV-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP OCCO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261640588 135242611 /nfs/dbraw/zinc/24/26/11/135242611.db2.gz FPOSRJHUAYGASK-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261642528 135242662 /nfs/dbraw/zinc/24/26/62/135242662.db2.gz CGWSXMOQFIEMDM-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261616303 135244562 /nfs/dbraw/zinc/24/45/62/135244562.db2.gz AEGIGOZDQVDWRX-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000261712954 135247883 /nfs/dbraw/zinc/24/78/83/135247883.db2.gz DWLFDSKMNVTPJT-RNJOBUHISA-N 2 1 224.348 0.689 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000084420026 135249627 /nfs/dbraw/zinc/24/96/27/135249627.db2.gz PJFGHNFMVLPFMH-UWVGGRQHSA-N 2 1 243.376 0.202 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772828 135251781 /nfs/dbraw/zinc/25/17/81/135251781.db2.gz MWNFWAOEOSJXDL-NEPJUHHUSA-N 2 1 225.336 0.183 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261769100 135252018 /nfs/dbraw/zinc/25/20/18/135252018.db2.gz MKYWZZXTEUKWSW-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261769100 135252020 /nfs/dbraw/zinc/25/20/20/135252020.db2.gz MKYWZZXTEUKWSW-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000261822441 135255185 /nfs/dbraw/zinc/25/51/85/135255185.db2.gz MPHLRUYFWIARJI-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000261826359 135255992 /nfs/dbraw/zinc/25/59/92/135255992.db2.gz ISTJNHUCAZSBBE-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000261826382 135256378 /nfs/dbraw/zinc/25/63/78/135256378.db2.gz ISTJNHUCAZSBBE-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[C@]1(C[N@@H+]2CCN3CCOC[C@H]3C2)CC[NH2+]C1 ZINC000261877456 135259278 /nfs/dbraw/zinc/25/92/78/135259278.db2.gz QEYZISZHTPMUCL-OLZOCXBDSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@]1(C[N@H+]2CCN3CCOC[C@H]3C2)CC[NH2+]C1 ZINC000261877456 135259279 /nfs/dbraw/zinc/25/92/79/135259279.db2.gz QEYZISZHTPMUCL-OLZOCXBDSA-N 2 1 239.363 0.002 20 0 BCADMP COC(=O)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261887166 135260017 /nfs/dbraw/zinc/26/00/17/135260017.db2.gz SDQKUAVJQIPMDX-AAEUAGOBSA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000261931795 135264612 /nfs/dbraw/zinc/26/46/12/135264612.db2.gz YYWOWFMCYVZENB-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000261962690 135266997 /nfs/dbraw/zinc/26/69/97/135266997.db2.gz PLHNZAMIGAAQAP-PWSUYJOCSA-N 2 1 212.337 0.546 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004489 135271523 /nfs/dbraw/zinc/27/15/23/135271523.db2.gz IAHLLOYLHIHPAO-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP FC(F)COCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262164977 135282841 /nfs/dbraw/zinc/28/28/41/135282841.db2.gz UBWJBOCBTKRIDZ-LLVKDONJSA-N 2 1 234.290 0.954 20 0 BCADMP FC(F)COCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262164977 135282843 /nfs/dbraw/zinc/28/28/43/135282843.db2.gz UBWJBOCBTKRIDZ-LLVKDONJSA-N 2 1 234.290 0.954 20 0 BCADMP C[C@H](CNC1=[NH+]CCCN1)[N@@H+](C)C1CC1 ZINC000262174742 135283635 /nfs/dbraw/zinc/28/36/35/135283635.db2.gz VUIORKLDYDENBO-SECBINFHSA-N 2 1 210.325 0.408 20 0 BCADMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000262281757 135289759 /nfs/dbraw/zinc/28/97/59/135289759.db2.gz ZGGZRZRPJXAACS-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)C[NH3+] ZINC000262322739 135293344 /nfs/dbraw/zinc/29/33/44/135293344.db2.gz FKAISXKLTYXEDR-IJLUTSLNSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000262349084 135294433 /nfs/dbraw/zinc/29/44/33/135294433.db2.gz ITTVZBIRZWLGKM-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262351570 135294696 /nfs/dbraw/zinc/29/46/96/135294696.db2.gz JCXNJZCCOBCGFU-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000262376989 135298118 /nfs/dbraw/zinc/29/81/18/135298118.db2.gz MJZNWXLNCLXNCV-LBPRGKRZSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]CCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000262392090 135299017 /nfs/dbraw/zinc/29/90/17/135299017.db2.gz OHTHXYKEMAWVKR-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH+](C)[C@]1(CNC2=[NH+]CCCN2)CCSC1 ZINC000262469979 135300991 /nfs/dbraw/zinc/30/09/91/135300991.db2.gz ONZLUFZRFHTBDM-NSHDSACASA-N 2 1 242.392 0.363 20 0 BCADMP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342695921 135306450 /nfs/dbraw/zinc/30/64/50/135306450.db2.gz GXACLJPQRVWHKK-SECBINFHSA-N 2 1 249.305 0.299 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342695921 135306452 /nfs/dbraw/zinc/30/64/52/135306452.db2.gz GXACLJPQRVWHKK-SECBINFHSA-N 2 1 249.305 0.299 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722492 135314559 /nfs/dbraw/zinc/31/45/59/135314559.db2.gz TWASYOTXBRKRPT-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000262854536 135321689 /nfs/dbraw/zinc/32/16/89/135321689.db2.gz SSWLPCMDNLQDLT-LBPRGKRZSA-N 2 1 236.363 0.942 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000262992645 135325836 /nfs/dbraw/zinc/32/58/36/135325836.db2.gz NWEVABSYTRRWIG-IUCAKERBSA-N 2 1 247.289 0.052 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263106940 135333394 /nfs/dbraw/zinc/33/33/94/135333394.db2.gz ZZAMWZZKGISPET-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474269 135344689 /nfs/dbraw/zinc/34/46/89/135344689.db2.gz PQBYOKNTKILGRZ-ONGXEEELSA-N 2 1 237.347 0.195 20 0 BCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000334358945 135371179 /nfs/dbraw/zinc/37/11/79/135371179.db2.gz UTWIXYQEBOADHH-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000334358945 135371181 /nfs/dbraw/zinc/37/11/81/135371181.db2.gz UTWIXYQEBOADHH-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(N)=O ZINC000080565273 135378847 /nfs/dbraw/zinc/37/88/47/135378847.db2.gz MUIVOPMODRBKAN-LLVKDONJSA-N 2 1 242.367 0.413 20 0 BCADMP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]CC1(F)F ZINC000334409893 135391609 /nfs/dbraw/zinc/39/16/09/135391609.db2.gz KCYJKEOEHJTGSD-RKDXNWHRSA-N 2 1 247.289 0.099 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285057 136002209 /nfs/dbraw/zinc/00/22/09/136002209.db2.gz IOVCTQMLLVIIPY-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000348340614 136071310 /nfs/dbraw/zinc/07/13/10/136071310.db2.gz PODOVXLZSYTSSY-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[C@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000348344398 136071586 /nfs/dbraw/zinc/07/15/86/136071586.db2.gz WKRUTQGCZVYABF-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000335373917 136084917 /nfs/dbraw/zinc/08/49/17/136084917.db2.gz CVFUATFXDPGVCU-TXEJJXNPSA-N 2 1 245.326 0.860 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335402009 136085128 /nfs/dbraw/zinc/08/51/28/136085128.db2.gz WZNSVXWRGSLFQE-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP O=C([C@H]1CSC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335393332 136091826 /nfs/dbraw/zinc/09/18/26/136091826.db2.gz AGMQLXCHAQDDCN-MWLCHTKSSA-N 2 1 241.360 0.003 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)C[NH3+] ZINC000335562680 136106590 /nfs/dbraw/zinc/10/65/90/136106590.db2.gz KNFHWIPQDVFQMY-QWRGUYRKSA-N 2 1 227.352 0.380 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217556265 397822166 /nfs/dbraw/zinc/82/21/66/397822166.db2.gz PDGRBLLWCAUFAW-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217556265 397822169 /nfs/dbraw/zinc/82/21/69/397822169.db2.gz PDGRBLLWCAUFAW-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000182175525 397824466 /nfs/dbraw/zinc/82/44/66/397824466.db2.gz HKQQBENJINGZDC-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CO[C@@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000182175525 397824469 /nfs/dbraw/zinc/82/44/69/397824469.db2.gz HKQQBENJINGZDC-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CCC[NH2+]C ZINC000054133327 397903334 /nfs/dbraw/zinc/90/33/34/397903334.db2.gz IFFCYHMENBKOQX-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000054133126 397903431 /nfs/dbraw/zinc/90/34/31/397903431.db2.gz PNRDMHARSQSOFM-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CCC[NH3+] ZINC000054133563 397904026 /nfs/dbraw/zinc/90/40/26/397904026.db2.gz HAFGSLFEFJMOEY-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP CCCNC(=O)C[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC000647881167 397916107 /nfs/dbraw/zinc/91/61/07/397916107.db2.gz JPVIBIOTVKVWND-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCCNC(=O)C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC000647881167 397916110 /nfs/dbraw/zinc/91/61/10/397916110.db2.gz JPVIBIOTVKVWND-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000383241712 398009732 /nfs/dbraw/zinc/00/97/32/398009732.db2.gz CVTWQQASOWNPTL-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000383241712 398009736 /nfs/dbraw/zinc/00/97/36/398009736.db2.gz CVTWQQASOWNPTL-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000383241712 398009738 /nfs/dbraw/zinc/00/97/38/398009738.db2.gz CVTWQQASOWNPTL-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000383241712 398009742 /nfs/dbraw/zinc/00/97/42/398009742.db2.gz CVTWQQASOWNPTL-CHWSQXEVSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000648122444 398016907 /nfs/dbraw/zinc/01/69/07/398016907.db2.gz YBTXVGVQLGGXRF-NOOOWODRSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000648122445 398016994 /nfs/dbraw/zinc/01/69/94/398016994.db2.gz YBTXVGVQLGGXRF-WISYIIOYSA-N 2 1 239.363 0.713 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000418318312 398034068 /nfs/dbraw/zinc/03/40/68/398034068.db2.gz OYXQBLVWFIBKPX-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000383687793 398034815 /nfs/dbraw/zinc/03/48/15/398034815.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000383687793 398034819 /nfs/dbraw/zinc/03/48/19/398034819.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000383687793 398034821 /nfs/dbraw/zinc/03/48/21/398034821.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000564731739 398039697 /nfs/dbraw/zinc/03/96/97/398039697.db2.gz HJYJNHBITJXNLN-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062872 /nfs/dbraw/zinc/06/28/72/398062872.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062879 /nfs/dbraw/zinc/06/28/79/398062879.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062884 /nfs/dbraw/zinc/06/28/84/398062884.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744781 398082503 /nfs/dbraw/zinc/08/25/03/398082503.db2.gz NRIMYKZYZIHRCU-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744781 398082504 /nfs/dbraw/zinc/08/25/04/398082504.db2.gz NRIMYKZYZIHRCU-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCn1ccnc1C ZINC000649764069 398091292 /nfs/dbraw/zinc/09/12/92/398091292.db2.gz PDFOLRKXZQCZQN-VXGBXAGGSA-N 2 1 239.319 0.273 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000649764069 398091295 /nfs/dbraw/zinc/09/12/95/398091295.db2.gz PDFOLRKXZQCZQN-VXGBXAGGSA-N 2 1 239.319 0.273 20 0 BCADMP C1=C(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)COCC1 ZINC000308844251 398097962 /nfs/dbraw/zinc/09/79/62/398097962.db2.gz ONKWNUCAGPGLCX-TXEJJXNPSA-N 2 1 208.305 0.484 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000061995885 398110247 /nfs/dbraw/zinc/11/02/47/398110247.db2.gz JSGAZZFUVXBKKV-NSHDSACASA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979552 398134665 /nfs/dbraw/zinc/13/46/65/398134665.db2.gz UMPIJDJYPTXYLW-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP COC[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662275920 487528917 /nfs/dbraw/zinc/52/89/17/487528917.db2.gz FPBUJNBHJOQGSR-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N1CC[NH2+]CC1 ZINC000260184885 322883678 /nfs/dbraw/zinc/88/36/78/322883678.db2.gz QXJJRHNQXSTWQP-UHFFFAOYSA-N 2 1 235.287 0.668 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000020420047 487575497 /nfs/dbraw/zinc/57/54/97/487575497.db2.gz CDIGLYXNMPMPLH-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420047 487575500 /nfs/dbraw/zinc/57/55/00/487575500.db2.gz CDIGLYXNMPMPLH-JTQLQIEISA-N 2 1 215.341 0.428 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000324375469 487587195 /nfs/dbraw/zinc/58/71/95/487587195.db2.gz YDWKAMMKQYIQFI-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000324375469 487587202 /nfs/dbraw/zinc/58/72/02/487587202.db2.gz YDWKAMMKQYIQFI-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000383163430 487589673 /nfs/dbraw/zinc/58/96/73/487589673.db2.gz MFMROKLFSHIXFM-NEPJUHHUSA-N 2 1 244.379 0.845 20 0 BCADMP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCC[NH3+] ZINC000020420040 487589654 /nfs/dbraw/zinc/58/96/54/487589654.db2.gz BPDDGAUEGCPDFM-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCC[NH3+] ZINC000020420040 487589661 /nfs/dbraw/zinc/58/96/61/487589661.db2.gz BPDDGAUEGCPDFM-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000655245855 487603034 /nfs/dbraw/zinc/60/30/34/487603034.db2.gz ZDIJGLIQTWEHTP-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000674690144 487605993 /nfs/dbraw/zinc/60/59/93/487605993.db2.gz UZLRFSMLJGRFLJ-VWYCJHECSA-N 2 1 239.363 0.678 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263402 409555683 /nfs/dbraw/zinc/55/56/83/409555683.db2.gz ARNAOUXCCJMYKQ-UTUOFQBUSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCCN(C)C1=O ZINC000662266054 409565257 /nfs/dbraw/zinc/56/52/57/409565257.db2.gz WHDRPSMDERZXOK-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662245080 409538626 /nfs/dbraw/zinc/53/86/26/409538626.db2.gz MYPDJRRCWGGQLT-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP c1cn(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297042 409626602 /nfs/dbraw/zinc/62/66/02/409626602.db2.gz YIAJXGQXLJIFQT-VXGBXAGGSA-N 2 1 235.335 0.210 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662326718 409641494 /nfs/dbraw/zinc/64/14/94/409641494.db2.gz ZOSREIOUZOJGTA-IJLUTSLNSA-N 2 1 245.342 0.078 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662326718 409641501 /nfs/dbraw/zinc/64/15/01/409641501.db2.gz ZOSREIOUZOJGTA-IJLUTSLNSA-N 2 1 245.342 0.078 20 0 BCADMP Cn1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)nn1 ZINC000662310193 409632830 /nfs/dbraw/zinc/63/28/30/409632830.db2.gz HOZBXCZRGXCEBY-NSHDSACASA-N 2 1 237.351 0.637 20 0 BCADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)nn1 ZINC000662310193 409632841 /nfs/dbraw/zinc/63/28/41/409632841.db2.gz HOZBXCZRGXCEBY-NSHDSACASA-N 2 1 237.351 0.637 20 0 BCADMP CCN1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000662271097 409573525 /nfs/dbraw/zinc/57/35/25/409573525.db2.gz RCIVXWURNDIRGR-SNVBAGLBSA-N 2 1 225.336 0.420 20 0 BCADMP CCN1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000662271091 409574227 /nfs/dbraw/zinc/57/42/27/409574227.db2.gz RCIVXWURNDIRGR-JTQLQIEISA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662681248 409833954 /nfs/dbraw/zinc/83/39/54/409833954.db2.gz DLBGHGKJVNPSAN-GHMZBOCLSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC(F)(F)C[NH3+] ZINC000653126979 409835949 /nfs/dbraw/zinc/83/59/49/409835949.db2.gz RMZKYWZHDHUVJJ-HTQZYQBOSA-N 2 1 235.278 0.166 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130897 409846013 /nfs/dbraw/zinc/84/60/13/409846013.db2.gz JNESQOKURBMVJQ-IUCAKERBSA-N 2 1 247.289 0.227 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130896 409847808 /nfs/dbraw/zinc/84/78/08/409847808.db2.gz JNESQOKURBMVJQ-DTWKUNHWSA-N 2 1 247.289 0.227 20 0 BCADMP CC[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[C@H]1[NH3+] ZINC000653134685 409852976 /nfs/dbraw/zinc/85/29/76/409852976.db2.gz HJKCQBVSEBGVCB-RKDXNWHRSA-N 2 1 249.305 0.556 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623625 409791704 /nfs/dbraw/zinc/79/17/04/409791704.db2.gz ZKKVNGZMKYOTNE-SNVBAGLBSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622981 409792243 /nfs/dbraw/zinc/79/22/43/409792243.db2.gz VQSYJMYCGPUOPP-JTQLQIEISA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655350329 409922808 /nfs/dbraw/zinc/92/28/08/409922808.db2.gz IDWJYPCEFQANQE-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655350329 409922813 /nfs/dbraw/zinc/92/28/13/409922813.db2.gz IDWJYPCEFQANQE-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC1([NH3+])CC1 ZINC000662791568 409923441 /nfs/dbraw/zinc/92/34/41/409923441.db2.gz JYCFSACJXGPOTJ-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000662791902 409923492 /nfs/dbraw/zinc/92/34/92/409923492.db2.gz LASNFIVPWOJOBT-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000662791902 409923501 /nfs/dbraw/zinc/92/35/01/409923501.db2.gz LASNFIVPWOJOBT-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662775451 409895609 /nfs/dbraw/zinc/89/56/09/409895609.db2.gz WFLQJDDDRNYXJD-LHLIQPBNSA-N 2 1 243.257 0.428 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000662839411 409949179 /nfs/dbraw/zinc/94/91/79/409949179.db2.gz QNXLPZNDGAFTQC-QWRGUYRKSA-N 2 1 237.347 0.611 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C[NH3+] ZINC000653176305 410152948 /nfs/dbraw/zinc/15/29/48/410152948.db2.gz PVBZRKLRRGAKOL-UHFFFAOYSA-N 2 1 201.314 0.039 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC(C)(C)[NH3+] ZINC000309195323 410268119 /nfs/dbraw/zinc/26/81/19/410268119.db2.gz JUSPZTXWWJCEEY-UHFFFAOYSA-N 2 1 224.308 0.435 20 0 BCADMP CNC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663512623 410283250 /nfs/dbraw/zinc/28/32/50/410283250.db2.gz GVQQRLYRZZIEJZ-FIQHERPVSA-N 2 1 211.353 0.572 20 0 BCADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000111356268 410225105 /nfs/dbraw/zinc/22/51/05/410225105.db2.gz ZWDAIPKWYFVAEJ-VXGBXAGGSA-N 2 1 234.347 0.688 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707519 410337930 /nfs/dbraw/zinc/33/79/30/410337930.db2.gz HTQHPTFOMOLBMU-RWMBFGLXSA-N 3 1 241.379 0.554 20 0 BCADMP Cc1c[nH]nc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713820 410345025 /nfs/dbraw/zinc/34/50/25/410345025.db2.gz DBDQWDHTHWXGSO-UHFFFAOYSA-N 2 1 208.309 0.937 20 0 BCADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714245 410346906 /nfs/dbraw/zinc/34/69/06/410346906.db2.gz WZCIIPOMJCKCDX-MNOVXSKESA-N 3 1 211.353 0.703 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CO)C1CCC1 ZINC000661154739 410308965 /nfs/dbraw/zinc/30/89/65/410308965.db2.gz QPRJBYIRQGDTQB-LBPRGKRZSA-N 2 1 223.320 0.713 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000650742630 410377530 /nfs/dbraw/zinc/37/75/30/410377530.db2.gz AIYVHAQDHMZJAR-GAQJKIJGSA-N 2 1 245.326 0.985 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1c[nH+]ccc1N ZINC000650743293 410380850 /nfs/dbraw/zinc/38/08/50/410380850.db2.gz PYCQXDLSDZWJHH-XHNCKOQMSA-N 2 1 234.303 0.409 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748503 410390832 /nfs/dbraw/zinc/39/08/32/410390832.db2.gz VLNYSNSIZBHPCM-GHMZBOCLSA-N 3 1 211.353 0.703 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nc1 ZINC000653279923 410631552 /nfs/dbraw/zinc/63/15/52/410631552.db2.gz LKRSLJGUQVUCEE-GXSJLCMTSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)nc1 ZINC000653279923 410631555 /nfs/dbraw/zinc/63/15/55/410631555.db2.gz LKRSLJGUQVUCEE-GXSJLCMTSA-N 2 1 220.320 0.806 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248840 410731773 /nfs/dbraw/zinc/73/17/73/410731773.db2.gz DGASLIZPQNULPE-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665248840 410731775 /nfs/dbraw/zinc/73/17/75/410731775.db2.gz DGASLIZPQNULPE-WDEREUQCSA-N 2 1 211.353 0.798 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000655481782 410734860 /nfs/dbraw/zinc/73/48/60/410734860.db2.gz KBYOPWYCDAOBQO-NSHDSACASA-N 2 1 229.368 0.688 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000393883932 410764584 /nfs/dbraw/zinc/76/45/84/410764584.db2.gz RUIZYJYXOQDFPM-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP c1ncn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000394303698 410784839 /nfs/dbraw/zinc/78/48/39/410784839.db2.gz SYHZHBFXJBEZMA-STQMWFEESA-N 2 1 249.362 0.885 20 0 BCADMP CCc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000394468062 410800684 /nfs/dbraw/zinc/80/06/84/410800684.db2.gz ASTBGDWZMHCOAI-HTQZYQBOSA-N 2 1 208.309 0.917 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000665297216 410814894 /nfs/dbraw/zinc/81/48/94/410814894.db2.gz BGIRCNATIUYEKC-VHSXEESVSA-N 2 1 225.340 0.599 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673762 410885849 /nfs/dbraw/zinc/88/58/49/410885849.db2.gz KQCICCNIEJTDAY-ZYHUDNBSSA-N 2 1 227.352 0.714 20 0 BCADMP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040673632 410881904 /nfs/dbraw/zinc/88/19/04/410881904.db2.gz OPXHNOPBKYTYEH-CHWSQXEVSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040673632 410881912 /nfs/dbraw/zinc/88/19/12/410881912.db2.gz OPXHNOPBKYTYEH-CHWSQXEVSA-N 2 1 247.342 0.897 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000665297558 410818879 /nfs/dbraw/zinc/81/88/79/410818879.db2.gz IEFYUFQXGCBUJY-IUCAKERBSA-N 2 1 213.325 0.241 20 0 BCADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC000236813477 167035442 /nfs/dbraw/zinc/03/54/42/167035442.db2.gz NKUZSVLYKJCLPC-UTUOFQBUSA-N 2 1 239.363 0.807 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538983 411137572 /nfs/dbraw/zinc/13/75/72/411137572.db2.gz WRYCAMYTUFDAMG-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891118 411149069 /nfs/dbraw/zinc/14/90/69/411149069.db2.gz IDBISTPIVBFLIZ-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[C@@H]1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891118 411149070 /nfs/dbraw/zinc/14/90/70/411149070.db2.gz IDBISTPIVBFLIZ-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(CC)CO ZINC000653635651 411151656 /nfs/dbraw/zinc/15/16/56/411151656.db2.gz YBMKCIVMODACQG-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(CC)CO ZINC000653635651 411151660 /nfs/dbraw/zinc/15/16/60/411151660.db2.gz YBMKCIVMODACQG-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(CC)CO ZINC000653635651 411151664 /nfs/dbraw/zinc/15/16/64/411151664.db2.gz YBMKCIVMODACQG-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(CC)CO ZINC000653635651 411151669 /nfs/dbraw/zinc/15/16/69/411151669.db2.gz YBMKCIVMODACQG-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400656609 411158602 /nfs/dbraw/zinc/15/86/02/411158602.db2.gz XLRIXNBSNOGQIY-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000400656609 411158604 /nfs/dbraw/zinc/15/86/04/411158604.db2.gz XLRIXNBSNOGQIY-QJPTWQEYSA-N 2 1 228.336 0.461 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659989626 411158666 /nfs/dbraw/zinc/15/86/66/411158666.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659989626 411158670 /nfs/dbraw/zinc/15/86/70/411158670.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000659989626 411158676 /nfs/dbraw/zinc/15/86/76/411158676.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 2 1 244.379 0.921 20 0 BCADMP C[NH+]1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652039407 411091023 /nfs/dbraw/zinc/09/10/23/411091023.db2.gz FCKDUZDXOMGIIS-ZDUSSCGKSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300357326 411117883 /nfs/dbraw/zinc/11/78/83/411117883.db2.gz XIUJSVBFFLOZJB-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300357326 411117887 /nfs/dbraw/zinc/11/78/87/411117887.db2.gz XIUJSVBFFLOZJB-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP NC(=O)C[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000043497707 411119683 /nfs/dbraw/zinc/11/96/83/411119683.db2.gz AEPWZHRRZIFXGI-UHFFFAOYSA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000653778989 411168249 /nfs/dbraw/zinc/16/82/49/411168249.db2.gz UUXYYTYUFJYGRW-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000653778989 411168251 /nfs/dbraw/zinc/16/82/51/411168251.db2.gz UUXYYTYUFJYGRW-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000309544501 411169300 /nfs/dbraw/zinc/16/93/00/411169300.db2.gz ZFVPGBTUTIWAMC-YIBTVLSRSA-N 2 1 210.321 0.584 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH3+] ZINC000652217943 411173352 /nfs/dbraw/zinc/17/33/52/411173352.db2.gz PKXKPNLLXUZWMY-NSHDSACASA-N 2 1 244.383 0.611 20 0 BCADMP O=C1C[N@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000401081567 411176539 /nfs/dbraw/zinc/17/65/39/411176539.db2.gz WLWPYZQYKNQJLN-UHFFFAOYSA-N 2 1 225.336 0.198 20 0 BCADMP O=C1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000401081567 411176541 /nfs/dbraw/zinc/17/65/41/411176541.db2.gz WLWPYZQYKNQJLN-UHFFFAOYSA-N 2 1 225.336 0.198 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657974211 411184957 /nfs/dbraw/zinc/18/49/57/411184957.db2.gz MYOQIMKQZUBQHN-GFCCVEGCSA-N 2 1 248.317 0.730 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657974211 411184959 /nfs/dbraw/zinc/18/49/59/411184959.db2.gz MYOQIMKQZUBQHN-GFCCVEGCSA-N 2 1 248.317 0.730 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000656151921 411187317 /nfs/dbraw/zinc/18/73/17/411187317.db2.gz OXLSXUCBDVHVSS-AAEUAGOBSA-N 2 1 242.363 0.267 20 0 BCADMP CCN(C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151921 411187320 /nfs/dbraw/zinc/18/73/20/411187320.db2.gz OXLSXUCBDVHVSS-AAEUAGOBSA-N 2 1 242.363 0.267 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194176 411200017 /nfs/dbraw/zinc/20/00/17/411200017.db2.gz BSFNZJJPSPAKJV-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC(C)C ZINC000652337198 411203728 /nfs/dbraw/zinc/20/37/28/411203728.db2.gz RUOBEBXAQZQOFI-NSHDSACASA-N 2 1 202.342 0.935 20 0 BCADMP CC[N@@H+](C[C@H]1CCOC1)C[C@](C)(O)C[NH2+]C ZINC000652337107 411204011 /nfs/dbraw/zinc/20/40/11/411204011.db2.gz KAPQFBITQONNRJ-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)C[NH3+] ZINC000652341097 411206108 /nfs/dbraw/zinc/20/61/08/411206108.db2.gz BPGDVOXUETYJMD-CQSZACIVSA-N 3 1 249.358 0.084 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)C[NH3+] ZINC000652341097 411206109 /nfs/dbraw/zinc/20/61/09/411206109.db2.gz BPGDVOXUETYJMD-CQSZACIVSA-N 3 1 249.358 0.084 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)[C@@H]1CCC[NH2+]1 ZINC000656201161 411206169 /nfs/dbraw/zinc/20/61/69/411206169.db2.gz UBMDHEMSOPQDFW-VWYCJHECSA-N 2 1 249.362 0.403 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347021 411209170 /nfs/dbraw/zinc/20/91/70/411209170.db2.gz OFXUJESIWMJSBK-YNEHKIRRSA-N 2 1 242.363 0.851 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356075 411214785 /nfs/dbraw/zinc/21/47/85/411214785.db2.gz RKFZXDLGNZEMEA-JHJVBQTASA-N 3 1 241.379 0.282 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358541 411214840 /nfs/dbraw/zinc/21/48/40/411214840.db2.gz QDBSICUULLNIIR-ZJUUUORDSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@@H](O)C[N@@H+](CCn1ccnc1)C1CC1 ZINC000653902583 411217119 /nfs/dbraw/zinc/21/71/19/411217119.db2.gz WTRNQKRQDRIPAD-SNVBAGLBSA-N 2 1 209.293 0.728 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](O)C1)C1CC1 ZINC000310204098 411220176 /nfs/dbraw/zinc/22/01/76/411220176.db2.gz CKMWVQHPISIJMX-KGYLQXTDSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](O)C1)C1CC1 ZINC000310204098 411220179 /nfs/dbraw/zinc/22/01/79/411220179.db2.gz CKMWVQHPISIJMX-KGYLQXTDSA-N 2 1 242.363 0.192 20 0 BCADMP CC[NH+]1CCC([NH2+]C2CN(C(C)=O)C2)CC1 ZINC000655783491 411222081 /nfs/dbraw/zinc/22/20/81/411222081.db2.gz NDGDAUYTKMJRNH-UHFFFAOYSA-N 2 1 225.336 0.291 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655785314 411226845 /nfs/dbraw/zinc/22/68/45/411226845.db2.gz LCYKFCIEQAMUJT-WOPDTQHZSA-N 2 1 230.352 0.456 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000310567395 411241448 /nfs/dbraw/zinc/24/14/48/411241448.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 1 244.379 0.657 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000653775984 411165776 /nfs/dbraw/zinc/16/57/76/411165776.db2.gz MTBVNMNMOSIMDO-VXGBXAGGSA-N 2 1 239.319 0.356 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C[NH+](C)C ZINC000652522420 411264852 /nfs/dbraw/zinc/26/48/52/411264852.db2.gz HKNRCZJAUGWNQP-UHFFFAOYSA-N 2 1 229.368 0.642 20 0 BCADMP C[C@H]([NH3+])Cn1cc(C[NH+]2CCCC2)nn1 ZINC000656456403 411265660 /nfs/dbraw/zinc/26/56/60/411265660.db2.gz BGVROIKWFVBBRP-VIFPVBQESA-N 2 1 209.297 0.221 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062858943 411327305 /nfs/dbraw/zinc/32/73/05/411327305.db2.gz XMLZEYSQEANKNE-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401668953 411276700 /nfs/dbraw/zinc/27/67/00/411276700.db2.gz JTMZOZVFVCWMQG-FRRDWIJNSA-N 3 1 248.374 0.940 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659642457 411277365 /nfs/dbraw/zinc/27/73/65/411277365.db2.gz KOVQFQPUKLEUSO-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383793 411280654 /nfs/dbraw/zinc/28/06/54/411280654.db2.gz YUQYMVZRTCEESC-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP Cc1[nH+]ccn1Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468940 411280854 /nfs/dbraw/zinc/28/08/54/411280854.db2.gz VWXLGUWLSLTMFS-LBPRGKRZSA-N 2 1 246.318 0.756 20 0 BCADMP CCC[N@@H+](CC(=O)NC)C[C@H]1CC[NH2+]C1 ZINC000051889739 411284872 /nfs/dbraw/zinc/28/48/72/411284872.db2.gz XVFZMMWWXCPLBS-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@H]1CC[NH2+]C1 ZINC000051889739 411284873 /nfs/dbraw/zinc/28/48/73/411284873.db2.gz XVFZMMWWXCPLBS-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1=[NH+]CCCN1 ZINC000656508557 411288765 /nfs/dbraw/zinc/28/87/65/411288765.db2.gz MRZYOKZMWANCAK-SNVBAGLBSA-N 2 1 224.352 0.798 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062899024 411329502 /nfs/dbraw/zinc/32/95/02/411329502.db2.gz QFAGZUYHVPHUGP-ZYHUDNBSSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]([NH2+]C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000656560701 411303872 /nfs/dbraw/zinc/30/38/72/411303872.db2.gz GDUBNQNWMQIEBO-HTQZYQBOSA-N 2 1 212.297 0.891 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401780812 411330883 /nfs/dbraw/zinc/33/08/83/411330883.db2.gz WDTRYEQURGJHPZ-TUAOUCFPSA-N 2 1 222.336 0.859 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@H]([NH3+])C1 ZINC000070586146 411318328 /nfs/dbraw/zinc/31/83/28/411318328.db2.gz UATBYGFJDWXRRU-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558996 411324564 /nfs/dbraw/zinc/32/45/64/411324564.db2.gz BSKDXALCLPVHSQ-QWHCGFSZSA-N 2 1 241.379 0.127 20 0 BCADMP C[C@@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698641 411248721 /nfs/dbraw/zinc/24/87/21/411248721.db2.gz QEGCTFDNWMGSCA-DGCLKSJQSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698666 411248821 /nfs/dbraw/zinc/24/88/21/411248821.db2.gz RPHTXWSPWQCSHA-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000658349157 411350089 /nfs/dbraw/zinc/35/00/89/411350089.db2.gz VFTCRMUTVJAGGO-PJSNJIKXSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cn(C)nn2)CC[NH2+]1 ZINC000656792137 411372831 /nfs/dbraw/zinc/37/28/31/411372831.db2.gz OCDGGQFMIQGMDQ-WDEREUQCSA-N 2 1 237.351 0.635 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662156152 411368722 /nfs/dbraw/zinc/36/87/22/411368722.db2.gz KPOFJGJENQZGEU-DGCLKSJQSA-N 2 1 242.363 0.552 20 0 BCADMP COC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662156152 411368727 /nfs/dbraw/zinc/36/87/27/411368727.db2.gz KPOFJGJENQZGEU-DGCLKSJQSA-N 2 1 242.363 0.552 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000656710668 411337441 /nfs/dbraw/zinc/33/74/41/411337441.db2.gz LGXWUHOQJNZEJX-XQQFMLRXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000656710668 411337443 /nfs/dbraw/zinc/33/74/43/411337443.db2.gz LGXWUHOQJNZEJX-XQQFMLRXSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H]1CCC[N@H+](CC(=O)NC2CC2)[C@H]1CC[NH3+] ZINC000404290052 411388813 /nfs/dbraw/zinc/38/88/13/411388813.db2.gz KMBOVXRIVWFLFR-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)[C@H]1CC[NH3+] ZINC000404290052 411388816 /nfs/dbraw/zinc/38/88/16/411388816.db2.gz KMBOVXRIVWFLFR-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163218982 168289708 /nfs/dbraw/zinc/28/97/08/168289708.db2.gz RKCMJLMYYJVBQO-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163218982 168289711 /nfs/dbraw/zinc/28/97/11/168289711.db2.gz RKCMJLMYYJVBQO-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248121 168290175 /nfs/dbraw/zinc/29/01/75/168290175.db2.gz CARCOWSVSZIDNK-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248121 168290178 /nfs/dbraw/zinc/29/01/78/168290178.db2.gz CARCOWSVSZIDNK-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000654853123 411456479 /nfs/dbraw/zinc/45/64/79/411456479.db2.gz MWNDEHPAXHYMAB-UHFFFAOYSA-N 2 1 241.379 0.738 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404424798 411396399 /nfs/dbraw/zinc/39/63/99/411396399.db2.gz KYUFWEWKVBTPIW-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[NH2+]C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653049650 411402435 /nfs/dbraw/zinc/40/24/35/411402435.db2.gz XZKZYOWAIRNQEC-QMMMGPOBSA-N 2 1 235.278 0.038 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046194 411403185 /nfs/dbraw/zinc/40/31/85/411403185.db2.gz NITNMQPIKXSRCE-MRVPVSSYSA-N 2 1 235.278 0.229 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000394847958 411403540 /nfs/dbraw/zinc/40/35/40/411403540.db2.gz AWVXTBKJXDMCPH-JTQLQIEISA-N 2 1 223.324 0.376 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653047717 411403989 /nfs/dbraw/zinc/40/39/89/411403989.db2.gz NBQUOSGDGCJOKS-QMMMGPOBSA-N 2 1 235.278 0.181 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000647830307 411408361 /nfs/dbraw/zinc/40/83/61/411408361.db2.gz GRXDCJQKTIMXOU-JTQLQIEISA-N 2 1 206.293 0.444 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000659450661 411416201 /nfs/dbraw/zinc/41/62/01/411416201.db2.gz DJXMSHPRQFLMLI-NXEZZACHSA-N 2 1 242.367 0.376 20 0 BCADMP C[C@H]1CCC[N@H+](Cc2cnnn2C)[C@H]1CC[NH3+] ZINC000405245185 411420942 /nfs/dbraw/zinc/42/09/42/411420942.db2.gz ZIBQQHOHGXTPMG-JQWIXIFHSA-N 2 1 237.351 0.764 20 0 BCADMP C[C@H]1CCC[N@@H+](Cc2cnnn2C)[C@H]1CC[NH3+] ZINC000405245185 411420946 /nfs/dbraw/zinc/42/09/46/411420946.db2.gz ZIBQQHOHGXTPMG-JQWIXIFHSA-N 2 1 237.351 0.764 20 0 BCADMP C[C@@H]1CCC[N@H+](Cc2cnnn2C)[C@H]1CC[NH3+] ZINC000405245186 411421505 /nfs/dbraw/zinc/42/15/05/411421505.db2.gz ZIBQQHOHGXTPMG-PWSUYJOCSA-N 2 1 237.351 0.764 20 0 BCADMP C[C@@H]1CCC[N@@H+](Cc2cnnn2C)[C@H]1CC[NH3+] ZINC000405245186 411421508 /nfs/dbraw/zinc/42/15/08/411421508.db2.gz ZIBQQHOHGXTPMG-PWSUYJOCSA-N 2 1 237.351 0.764 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000654657277 411424412 /nfs/dbraw/zinc/42/44/12/411424412.db2.gz PFMSALIDVOJEBB-JTQLQIEISA-N 2 1 227.352 0.395 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000659510399 411425332 /nfs/dbraw/zinc/42/53/32/411425332.db2.gz ORSRYNMTPSKYGN-JTQLQIEISA-N 2 1 228.340 0.119 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CO ZINC000653587852 411427867 /nfs/dbraw/zinc/42/78/67/411427867.db2.gz WFZSSUZUULPKHP-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CO ZINC000653587852 411427869 /nfs/dbraw/zinc/42/78/69/411427869.db2.gz WFZSSUZUULPKHP-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000653587852 411427872 /nfs/dbraw/zinc/42/78/72/411427872.db2.gz WFZSSUZUULPKHP-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000653587852 411427873 /nfs/dbraw/zinc/42/78/73/411427873.db2.gz WFZSSUZUULPKHP-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525417 411428452 /nfs/dbraw/zinc/42/84/52/411428452.db2.gz GEAQCFRXBCFXTK-MNOVXSKESA-N 2 1 242.367 0.365 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544195 411432661 /nfs/dbraw/zinc/43/26/61/411432661.db2.gz QYVQZXZWNALZMO-DLRQAJBASA-N 2 1 240.351 0.285 20 0 BCADMP C[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659569493 411437541 /nfs/dbraw/zinc/43/75/41/411437541.db2.gz FQEZDIFDSJCQBR-UHFFFAOYSA-N 2 1 240.351 0.215 20 0 BCADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414689702 411439840 /nfs/dbraw/zinc/43/98/40/411439840.db2.gz GNNTZWHFXLHYGD-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414689733 411439906 /nfs/dbraw/zinc/43/99/06/411439906.db2.gz GSRIEHMXSUBVGS-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000654764288 411441580 /nfs/dbraw/zinc/44/15/80/411441580.db2.gz YKOBXDZOQMNHDA-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000654764288 411441582 /nfs/dbraw/zinc/44/15/82/411441582.db2.gz YKOBXDZOQMNHDA-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000654764288 411441584 /nfs/dbraw/zinc/44/15/84/411441584.db2.gz YKOBXDZOQMNHDA-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000654764288 411441586 /nfs/dbraw/zinc/44/15/86/411441586.db2.gz YKOBXDZOQMNHDA-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(CCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659440447 411441690 /nfs/dbraw/zinc/44/16/90/411441690.db2.gz HNFJWEAGEUPVGZ-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP Nc1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000306292820 411442765 /nfs/dbraw/zinc/44/27/65/411442765.db2.gz WBNFRJYXPNTUNV-SSDOTTSWSA-N 2 1 212.322 0.506 20 0 BCADMP Nc1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000306292820 411442767 /nfs/dbraw/zinc/44/27/67/411442767.db2.gz WBNFRJYXPNTUNV-SSDOTTSWSA-N 2 1 212.322 0.506 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000637845513 411444977 /nfs/dbraw/zinc/44/49/77/411444977.db2.gz PUKWZXWSQKLEMN-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000659647573 411447754 /nfs/dbraw/zinc/44/77/54/411447754.db2.gz VHYYQAURDHNXIV-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638536210 411472686 /nfs/dbraw/zinc/47/26/86/411472686.db2.gz HQTYLFSCPKIHEV-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)CC1CC1 ZINC000659857410 411480004 /nfs/dbraw/zinc/48/00/04/411480004.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)CC1CC1 ZINC000659857410 411480005 /nfs/dbraw/zinc/48/00/05/411480005.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)CC1CC1 ZINC000659857410 411480007 /nfs/dbraw/zinc/48/00/07/411480007.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529217 411486073 /nfs/dbraw/zinc/48/60/73/411486073.db2.gz APCMFEGNZWIHBA-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP COC[C@](C)(CO)NCc1cnc(C)n1C ZINC000657389061 411491766 /nfs/dbraw/zinc/49/17/66/411491766.db2.gz JIWXDVQXOQUEGV-NSHDSACASA-N 2 1 227.308 0.216 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000659909501 411495015 /nfs/dbraw/zinc/49/50/15/411495015.db2.gz VCJVAFJHNNXHMG-OLZOCXBDSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659909501 411495018 /nfs/dbraw/zinc/49/50/18/411495018.db2.gz VCJVAFJHNNXHMG-OLZOCXBDSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C[C@@H](C)O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659909501 411495021 /nfs/dbraw/zinc/49/50/21/411495021.db2.gz VCJVAFJHNNXHMG-OLZOCXBDSA-N 2 1 246.395 0.779 20 0 BCADMP COC1(C[NH2+]C2CC([NH+](C)C)C2)CCOCC1 ZINC000655792399 411515095 /nfs/dbraw/zinc/51/50/95/411515095.db2.gz OABDKTKJLIEORX-UHFFFAOYSA-N 2 1 242.363 0.864 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000252440009 170006337 /nfs/dbraw/zinc/00/63/37/170006337.db2.gz VXSQCQOFBYSDOU-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040922632 170005848 /nfs/dbraw/zinc/00/58/48/170005848.db2.gz LYMHVJJMBBWVIB-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839430 170006371 /nfs/dbraw/zinc/00/63/71/170006371.db2.gz ILDMHQHVUANJFM-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH2+]C)C1 ZINC000037484155 170006616 /nfs/dbraw/zinc/00/66/16/170006616.db2.gz DCXKTANTGAWGQB-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037643508 170006711 /nfs/dbraw/zinc/00/67/11/170006711.db2.gz JTIIIXKYYWMFHT-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@H](C)C1 ZINC000121874509 170011323 /nfs/dbraw/zinc/01/13/23/170011323.db2.gz LBWYCNXDSQAVFU-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000358023787 170012298 /nfs/dbraw/zinc/01/22/98/170012298.db2.gz KZARXMJHNCAIMR-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114217 170015091 /nfs/dbraw/zinc/01/50/91/170015091.db2.gz HVXCZUZAUXNRSU-GHMZBOCLSA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C)C1 ZINC000043604465 170015109 /nfs/dbraw/zinc/01/51/09/170015109.db2.gz DRJDPMBJHMXCAH-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)C[C@@H]1C ZINC000357254783 170016656 /nfs/dbraw/zinc/01/66/56/170016656.db2.gz ZIZFDQJRGKEUBT-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000037484286 170017167 /nfs/dbraw/zinc/01/71/67/170017167.db2.gz HUKCMWCTRUMOSU-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000037484286 170017169 /nfs/dbraw/zinc/01/71/69/170017169.db2.gz HUKCMWCTRUMOSU-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017821 /nfs/dbraw/zinc/01/78/21/170017821.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017823 /nfs/dbraw/zinc/01/78/23/170017823.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 3 1 243.395 0.624 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017824 /nfs/dbraw/zinc/01/78/24/170017824.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 3 1 243.395 0.624 20 0 BCADMP CCN1CC[C@H]([N@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017825 /nfs/dbraw/zinc/01/78/25/170017825.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 2 1 243.395 0.624 20 0 BCADMP CCN1CC[C@H]([N@@H+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017827 /nfs/dbraw/zinc/01/78/27/170017827.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 2 1 243.395 0.624 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@H](C)C1 ZINC000358225805 170020228 /nfs/dbraw/zinc/02/02/28/170020228.db2.gz MRLOODQJKKJNHW-AGIUHOORSA-N 2 1 242.363 0.458 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@H](C)C1 ZINC000361669736 170022207 /nfs/dbraw/zinc/02/22/07/170022207.db2.gz DIOUJBXLJJBFGF-WOPDTQHZSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000361669733 170022316 /nfs/dbraw/zinc/02/23/16/170022316.db2.gz DIOUJBXLJJBFGF-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@H](C)C1 ZINC000309911110 170022497 /nfs/dbraw/zinc/02/24/97/170022497.db2.gz MRXNRUVLSHJQLF-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NC)[C@H](C)C1 ZINC000361669735 170022980 /nfs/dbraw/zinc/02/29/80/170022980.db2.gz DIOUJBXLJJBFGF-UTUOFQBUSA-N 2 1 241.379 0.831 20 0 BCADMP CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645564 170060345 /nfs/dbraw/zinc/06/03/45/170060345.db2.gz SEGDWIYREPBKFQ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645564 170060346 /nfs/dbraw/zinc/06/03/46/170060346.db2.gz SEGDWIYREPBKFQ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036794951 170088262 /nfs/dbraw/zinc/08/82/62/170088262.db2.gz BQPWJMTYJROLOE-WAAKLRNESA-N 2 1 239.363 0.726 20 0 BCADMP CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036794951 170088263 /nfs/dbraw/zinc/08/82/63/170088263.db2.gz BQPWJMTYJROLOE-WAAKLRNESA-N 2 1 239.363 0.726 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331916445 170095683 /nfs/dbraw/zinc/09/56/83/170095683.db2.gz GIZUUBJGDYHIBA-HBNTYKKESA-N 2 1 227.352 0.761 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366409840 170114757 /nfs/dbraw/zinc/11/47/57/170114757.db2.gz ZUBZWXURLXRQDO-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)C1CC[NH+](CCC[NH2+]C)CC1 ZINC000042409449 170193114 /nfs/dbraw/zinc/19/31/14/170193114.db2.gz YRIRMPWDZWNJQE-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP OC/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657592716 411556479 /nfs/dbraw/zinc/55/64/79/411556479.db2.gz ALZXOXMCSGWKFT-JZIZGNRHSA-N 2 1 210.321 0.751 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000332486021 170331454 /nfs/dbraw/zinc/33/14/54/170331454.db2.gz WPNFTZSPWDWLIB-QCXCNERSSA-N 2 1 242.363 0.504 20 0 BCADMP CCOCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336680201 170374343 /nfs/dbraw/zinc/37/43/43/170374343.db2.gz IXHADOCFGBJOSQ-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP CCOCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119676577 170388281 /nfs/dbraw/zinc/38/82/81/170388281.db2.gz CGDPYIPHKZYWPB-UHFFFAOYSA-N 2 1 243.395 0.592 20 0 BCADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657809008 411601618 /nfs/dbraw/zinc/60/16/18/411601618.db2.gz RVMQPDCUVLLQQQ-BJDJZHNGSA-N 2 1 210.321 0.726 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657836820 411609334 /nfs/dbraw/zinc/60/93/34/411609334.db2.gz BXXSPZSCPJPNRN-FRRDWIJNSA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657836820 411609336 /nfs/dbraw/zinc/60/93/36/411609336.db2.gz BXXSPZSCPJPNRN-FRRDWIJNSA-N 2 1 249.362 0.883 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCC1 ZINC000657874865 411614889 /nfs/dbraw/zinc/61/48/89/411614889.db2.gz BUMUDARIPNORRE-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCC1 ZINC000657874866 411615212 /nfs/dbraw/zinc/61/52/12/411615212.db2.gz BUMUDARIPNORRE-MNOVXSKESA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620337 /nfs/dbraw/zinc/62/03/37/411620337.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620338 /nfs/dbraw/zinc/62/03/38/411620338.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620339 /nfs/dbraw/zinc/62/03/39/411620339.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 2 1 230.352 0.143 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620340 /nfs/dbraw/zinc/62/03/40/411620340.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 2 1 230.352 0.143 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000133330465 411711923 /nfs/dbraw/zinc/71/19/23/411711923.db2.gz SEBAYBRILLWSFH-GARJFASQSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000133330465 411711924 /nfs/dbraw/zinc/71/19/24/411711924.db2.gz SEBAYBRILLWSFH-GARJFASQSA-N 2 1 214.309 0.071 20 0 BCADMP Cc1cc(NC[C@@H]2CSCC[NH2+]2)nc(C)[nH+]1 ZINC000641687316 411650548 /nfs/dbraw/zinc/65/05/48/411650548.db2.gz NLOHVZWCAZYLKE-SNVBAGLBSA-N 2 1 238.360 1.210 20 0 BCADMP C([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663492670 411671071 /nfs/dbraw/zinc/67/10/71/411671071.db2.gz AWKKODBWGUAKOR-IJLUTSLNSA-N 3 1 209.337 0.185 20 0 BCADMP C([NH2+]C[C@]12C[C@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663492672 411671393 /nfs/dbraw/zinc/67/13/93/411671393.db2.gz AWKKODBWGUAKOR-WOPDTQHZSA-N 3 1 209.337 0.185 20 0 BCADMP [NH3+]CCC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663498756 411680993 /nfs/dbraw/zinc/68/09/93/411680993.db2.gz TYQSBRHEEJMWMY-OLZOCXBDSA-N 2 1 223.364 0.657 20 0 BCADMP c1cc2c(nc[nH+]c2NC[C@@H]2C[NH2+]CCCO2)[nH]1 ZINC000563662819 411701942 /nfs/dbraw/zinc/70/19/42/411701942.db2.gz DSGZBVFIBMPMLN-VIFPVBQESA-N 2 1 247.302 0.748 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000394487740 411824713 /nfs/dbraw/zinc/82/47/13/411824713.db2.gz IPNDATGBKQGDNV-SFYZADRCSA-N 2 1 209.297 0.690 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(C)CC1=CCCOC1 ZINC000661654528 411830936 /nfs/dbraw/zinc/83/09/36/411830936.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 1 242.363 0.578 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661825170 411892020 /nfs/dbraw/zinc/89/20/20/411892020.db2.gz CXJWGHHGLYJNDE-VXGBXAGGSA-N 2 1 235.331 0.856 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000566244621 411902730 /nfs/dbraw/zinc/90/27/30/411902730.db2.gz GCEFHKRMQAVVTM-LLVKDONJSA-N 2 1 220.320 0.705 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000566244621 411902734 /nfs/dbraw/zinc/90/27/34/411902734.db2.gz GCEFHKRMQAVVTM-LLVKDONJSA-N 2 1 220.320 0.705 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000568983427 411912586 /nfs/dbraw/zinc/91/25/86/411912586.db2.gz JLVYPHFQSCXGCX-VXNVDRBHSA-N 2 1 226.349 0.813 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000564989876 411921183 /nfs/dbraw/zinc/92/11/83/411921183.db2.gz XSSHXCUUFCFUNR-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000564989876 411921186 /nfs/dbraw/zinc/92/11/86/411921186.db2.gz XSSHXCUUFCFUNR-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000566244400 411929736 /nfs/dbraw/zinc/92/97/36/411929736.db2.gz NCQKKSOPKHURBL-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647496293 411929782 /nfs/dbraw/zinc/92/97/82/411929782.db2.gz FAACIIMNDNIRGH-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647496293 411929786 /nfs/dbraw/zinc/92/97/86/411929786.db2.gz FAACIIMNDNIRGH-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000634998334 411930547 /nfs/dbraw/zinc/93/05/47/411930547.db2.gz DJUHSHWKHNWCHM-GXSJLCMTSA-N 2 1 220.320 0.690 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)s2)CC[NH2+]1 ZINC000516867311 411932667 /nfs/dbraw/zinc/93/26/67/411932667.db2.gz QHWWBUXKOSTZLQ-YUMQZZPRSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N)nc1 ZINC000647508956 411932767 /nfs/dbraw/zinc/93/27/67/411932767.db2.gz BVUMAJGZZXJTAX-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP Nc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000567049328 411940045 /nfs/dbraw/zinc/94/00/45/411940045.db2.gz ODKOTDCNDFVFOP-CYBMUJFWSA-N 2 1 232.331 0.849 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000567049328 411940048 /nfs/dbraw/zinc/94/00/48/411940048.db2.gz ODKOTDCNDFVFOP-CYBMUJFWSA-N 2 1 232.331 0.849 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647509898 411883423 /nfs/dbraw/zinc/88/34/23/411883423.db2.gz PFAKLEOMFZKNBQ-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH3+] ZINC000236910259 170964374 /nfs/dbraw/zinc/96/43/74/170964374.db2.gz XUQFJVYOOIKXHC-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCO1 ZINC000662248468 412045993 /nfs/dbraw/zinc/04/59/93/412045993.db2.gz CGQQAVDVMAKIRS-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@](CN)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248023 412046117 /nfs/dbraw/zinc/04/61/17/412046117.db2.gz RARBYVWQOLUBFU-NWDGAFQWSA-N 2 1 239.363 0.224 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255088 412048899 /nfs/dbraw/zinc/04/88/99/412048899.db2.gz OGBBCQBRIRIMII-QWRGUYRKSA-N 2 1 210.321 0.992 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000662265251 412056938 /nfs/dbraw/zinc/05/69/38/412056938.db2.gz OQVOIFKKPZBCPI-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)OC ZINC000662265829 412057495 /nfs/dbraw/zinc/05/74/95/412057495.db2.gz JDGOFYFVTZNIDP-WUHRBBMRSA-N 2 1 242.363 0.707 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)OC ZINC000662265551 412057733 /nfs/dbraw/zinc/05/77/33/412057733.db2.gz QXKRMOIVGLMIMP-MXWKQRLJSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)OC ZINC000662265826 412058600 /nfs/dbraw/zinc/05/86/00/412058600.db2.gz JDGOFYFVTZNIDP-CYDGBPFRSA-N 2 1 242.363 0.707 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336752208 171058777 /nfs/dbraw/zinc/05/87/77/171058777.db2.gz FYTSEIXVYODOIM-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336752208 171058779 /nfs/dbraw/zinc/05/87/79/171058779.db2.gz FYTSEIXVYODOIM-UTUOFQBUSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482589 171081237 /nfs/dbraw/zinc/08/12/37/171081237.db2.gz UOCPWPLUKZRBIV-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482589 171081240 /nfs/dbraw/zinc/08/12/40/171081240.db2.gz UOCPWPLUKZRBIV-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP COC[C@H](C[N@@H+](C)C1CC([NH3+])C1)OC ZINC000662274763 412068071 /nfs/dbraw/zinc/06/80/71/412068071.db2.gz WWBBHRRFNKCQBF-RTBKNWGFSA-N 2 1 202.298 0.069 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000353476119 171149274 /nfs/dbraw/zinc/14/92/74/171149274.db2.gz YLFZATRSEHQYNK-NEPJUHHUSA-N 2 1 239.363 0.585 20 0 BCADMP CO[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280692 412070721 /nfs/dbraw/zinc/07/07/21/412070721.db2.gz GYZWQTCKIMLPQY-CHWSQXEVSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000662280891 412071310 /nfs/dbraw/zinc/07/13/10/412071310.db2.gz GWGCIFPWLORMLS-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP CO[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280694 412071507 /nfs/dbraw/zinc/07/15/07/412071507.db2.gz GYZWQTCKIMLPQY-OLZOCXBDSA-N 2 1 242.363 0.851 20 0 BCADMP CC[C@@]1(C(=O)NCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000122073392 171195919 /nfs/dbraw/zinc/19/59/19/171195919.db2.gz IDNCKWBTXBBJFJ-ZDUSSCGKSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000361091081 171222845 /nfs/dbraw/zinc/22/28/45/171222845.db2.gz IYNJUDDDWMRXBX-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)COCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662282886 412072739 /nfs/dbraw/zinc/07/27/39/412072739.db2.gz CXPUFZPBUSROOJ-UHFFFAOYSA-N 2 1 230.352 0.363 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129167459 171245705 /nfs/dbraw/zinc/24/57/05/171245705.db2.gz IGLGSWNKPHOTIO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129167459 171245706 /nfs/dbraw/zinc/24/57/06/171245706.db2.gz IGLGSWNKPHOTIO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129167459 171245707 /nfs/dbraw/zinc/24/57/07/171245707.db2.gz IGLGSWNKPHOTIO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129167459 171245708 /nfs/dbraw/zinc/24/57/08/171245708.db2.gz IGLGSWNKPHOTIO-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283293 412075807 /nfs/dbraw/zinc/07/58/07/412075807.db2.gz HCJVMMTZUNCUHU-UTUOFQBUSA-N 3 1 239.363 0.319 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283293 412075809 /nfs/dbraw/zinc/07/58/09/412075809.db2.gz HCJVMMTZUNCUHU-UTUOFQBUSA-N 2 1 239.363 0.319 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1CCO ZINC000662298689 412083674 /nfs/dbraw/zinc/08/36/74/412083674.db2.gz FHCRKTZYYLJUPY-LLVKDONJSA-N 2 1 216.325 0.199 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037110207 171304681 /nfs/dbraw/zinc/30/46/81/171304681.db2.gz OBUYEKHSKXOYGJ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000226396386 171307121 /nfs/dbraw/zinc/30/71/21/171307121.db2.gz CFQIDHJPZBCMSV-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178382 171317318 /nfs/dbraw/zinc/31/73/18/171317318.db2.gz NWMNPVYXQURMMZ-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228073459 171334623 /nfs/dbraw/zinc/33/46/23/171334623.db2.gz GETTWJGLPJCIFQ-FIQHERPVSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228073459 171334625 /nfs/dbraw/zinc/33/46/25/171334625.db2.gz GETTWJGLPJCIFQ-FIQHERPVSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643466 171370804 /nfs/dbraw/zinc/37/08/04/171370804.db2.gz XNDBNJDIBYVZHK-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000011959323 171394538 /nfs/dbraw/zinc/39/45/38/171394538.db2.gz SROXFXQRPDNYOJ-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000662386497 412140531 /nfs/dbraw/zinc/14/05/31/412140531.db2.gz BBJPZVZGALLNLK-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303111 412086088 /nfs/dbraw/zinc/08/60/88/412086088.db2.gz SQNRNDHRPQKCSU-FRRDWIJNSA-N 2 1 242.363 0.315 20 0 BCADMP COCC1([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299751 412086173 /nfs/dbraw/zinc/08/61/73/412086173.db2.gz WSYHPZDKBGCDDE-LLVKDONJSA-N 2 1 240.347 0.618 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662298938 412086977 /nfs/dbraw/zinc/08/69/77/412086977.db2.gz SZHWZGINEDGRHV-WOPDTQHZSA-N 2 1 210.321 0.849 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2CCC1CC[NH2+]CC1 ZINC000662304363 412088864 /nfs/dbraw/zinc/08/88/64/412088864.db2.gz OZJYJRRWQOZHHH-UHFFFAOYSA-N 3 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@@H+]2CCC1CC[NH2+]CC1 ZINC000662304363 412088867 /nfs/dbraw/zinc/08/88/67/412088867.db2.gz OZJYJRRWQOZHHH-UHFFFAOYSA-N 2 1 223.364 0.799 20 0 BCADMP NCC12CC(C1)C[N@H+]2CCC1CC[NH2+]CC1 ZINC000662304363 412088872 /nfs/dbraw/zinc/08/88/72/412088872.db2.gz OZJYJRRWQOZHHH-UHFFFAOYSA-N 2 1 223.364 0.799 20 0 BCADMP [NH3+]CC12CC(C1)CN2CCC1CC[NH2+]CC1 ZINC000662304363 412088874 /nfs/dbraw/zinc/08/88/74/412088874.db2.gz OZJYJRRWQOZHHH-UHFFFAOYSA-N 2 1 223.364 0.799 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662306244 412090737 /nfs/dbraw/zinc/09/07/37/412090737.db2.gz PLRGBWNJYQURHK-UHFFFAOYSA-N 2 1 239.363 0.170 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1=CCSC1 ZINC000662327743 412104571 /nfs/dbraw/zinc/10/45/71/412104571.db2.gz UNLJNVNNIUIALS-UHFFFAOYSA-N 2 1 241.404 0.497 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450734 412179468 /nfs/dbraw/zinc/17/94/68/412179468.db2.gz DNKIBMIVLAYNLI-LBPRGKRZSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000662453966 412180960 /nfs/dbraw/zinc/18/09/60/412180960.db2.gz HCKPOKDXHKBQMI-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000662453969 412181033 /nfs/dbraw/zinc/18/10/33/412181033.db2.gz HCKPOKDXHKBQMI-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000662453973 412181515 /nfs/dbraw/zinc/18/15/15/412181515.db2.gz HCKPOKDXHKBQMI-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662474329 412187598 /nfs/dbraw/zinc/18/75/98/412187598.db2.gz ZAILDWFIQHJNQY-GARJFASQSA-N 2 1 227.352 0.535 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000662476185 412187972 /nfs/dbraw/zinc/18/79/72/412187972.db2.gz RILFEGRFEDBECX-AXFHLTTASA-N 2 1 227.352 0.583 20 0 BCADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274091 412214854 /nfs/dbraw/zinc/21/48/54/412214854.db2.gz JLPWNPAWDHDUST-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662486271 412190633 /nfs/dbraw/zinc/19/06/33/412190633.db2.gz WEDSCVGJNNKHSX-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662498166 412196438 /nfs/dbraw/zinc/19/64/38/412196438.db2.gz PBBITJRCSBZPCK-USWWRNFRSA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000662525272 412204561 /nfs/dbraw/zinc/20/45/61/412204561.db2.gz GEHWKMWYUWVOIC-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662540393 412209991 /nfs/dbraw/zinc/20/99/91/412209991.db2.gz WBFCWKRCTLOPQU-QWRGUYRKSA-N 2 1 239.363 0.726 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000662540394 412210381 /nfs/dbraw/zinc/21/03/81/412210381.db2.gz WBFCWKRCTLOPQU-WDEREUQCSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000665273152 412213355 /nfs/dbraw/zinc/21/33/55/412213355.db2.gz QRDJLRPVBMPNLU-AXFHLTTASA-N 2 1 225.336 0.385 20 0 BCADMP [NH3+]CCCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662394294 412144251 /nfs/dbraw/zinc/14/42/51/412144251.db2.gz TVIDMXLCYCKZOS-JTQLQIEISA-N 2 1 243.257 0.430 20 0 BCADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234828 412173451 /nfs/dbraw/zinc/17/34/51/412173451.db2.gz KOASPBMROSAGHJ-UMSGYPCISA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000665234409 412174480 /nfs/dbraw/zinc/17/44/80/412174480.db2.gz CKLWTWUUAGRKMO-ADEWGFFLSA-N 2 1 212.337 0.878 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC1([NH3+])CCCC1 ZINC000662647162 412255561 /nfs/dbraw/zinc/25/55/61/412255561.db2.gz OHQBZHRMCWCFOI-UHFFFAOYSA-N 2 1 235.278 0.358 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000662678924 412268579 /nfs/dbraw/zinc/26/85/79/412268579.db2.gz KLQDMBQYHVVVDI-UTUOFQBUSA-N 2 1 241.379 0.973 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000662682692 412269744 /nfs/dbraw/zinc/26/97/44/412269744.db2.gz RZNWDXGPLARDIS-FIQHERPVSA-N 2 1 237.347 0.467 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662685796 412270875 /nfs/dbraw/zinc/27/08/75/412270875.db2.gz XWEUEPRZMAAYHQ-IJLUTSLNSA-N 2 1 239.363 0.524 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000662686515 412270925 /nfs/dbraw/zinc/27/09/25/412270925.db2.gz GOUAWTHSDBZGHT-FIQHERPVSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000662701040 412275649 /nfs/dbraw/zinc/27/56/49/412275649.db2.gz MLBNYRVNTYHHJH-BDAKNGLRSA-N 2 1 249.305 0.556 20 0 BCADMP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662719954 412283368 /nfs/dbraw/zinc/28/33/68/412283368.db2.gz MWCHFRIWIQBTCT-CKYFFXLPSA-N 2 1 237.347 0.419 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)C[N@@H+](C)C(C)C ZINC000662726851 412284742 /nfs/dbraw/zinc/28/47/42/412284742.db2.gz NVMSITGEEQAJDT-LLVKDONJSA-N 2 1 229.368 0.816 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000662728053 412285187 /nfs/dbraw/zinc/28/51/87/412285187.db2.gz FIMWKRYTFHBIOQ-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1c[nH+]ccc1N ZINC000665274839 412216897 /nfs/dbraw/zinc/21/68/97/412216897.db2.gz ZKIDRNAQRVOQPX-BDAKNGLRSA-N 2 1 234.303 0.423 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662585548 412230751 /nfs/dbraw/zinc/23/07/51/412230751.db2.gz JXKNURNBBFBBLW-VIFPVBQESA-N 2 1 222.292 0.366 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589731 412232663 /nfs/dbraw/zinc/23/26/63/412232663.db2.gz CZCSHBHGPQIXIV-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000662594488 412233425 /nfs/dbraw/zinc/23/34/25/412233425.db2.gz UHOYJFGDYRIPCS-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621533 412234323 /nfs/dbraw/zinc/23/43/23/412234323.db2.gz IXEHLSLVCRWSIQ-RKDXNWHRSA-N 2 1 213.325 0.323 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622317 412244193 /nfs/dbraw/zinc/24/41/93/412244193.db2.gz QKPUPFQIKBHSKI-ZJUUUORDSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621529 412244723 /nfs/dbraw/zinc/24/47/23/412244723.db2.gz IXEHLSLVCRWSIQ-BDAKNGLRSA-N 2 1 213.325 0.323 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619954 412245194 /nfs/dbraw/zinc/24/51/94/412245194.db2.gz RLOGMNPQFWMKTO-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795122 412305150 /nfs/dbraw/zinc/30/51/50/412305150.db2.gz XAQWVDNWXXWZMI-BJDJZHNGSA-N 2 1 239.363 0.522 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806620 412307573 /nfs/dbraw/zinc/30/75/73/412307573.db2.gz SJMYKKQYBBYCML-DDHJBXDOSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806622 412307950 /nfs/dbraw/zinc/30/79/50/412307950.db2.gz SJMYKKQYBBYCML-KKOKHZNYSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000662845379 412319964 /nfs/dbraw/zinc/31/99/64/412319964.db2.gz QBVLGFYPLVMMSX-NXEZZACHSA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001682 412366996 /nfs/dbraw/zinc/36/69/96/412366996.db2.gz XPNNJAIVJOJJIL-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618595 171681958 /nfs/dbraw/zinc/68/19/58/171681958.db2.gz VEKXBUNUZVIPAG-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662873548 412332391 /nfs/dbraw/zinc/33/23/91/412332391.db2.gz ZIODHFJBQISFOP-FGNRJIRKSA-N 2 1 239.363 0.726 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966392 412358328 /nfs/dbraw/zinc/35/83/28/412358328.db2.gz RBBACCSFIYRPHI-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662747286 412289719 /nfs/dbraw/zinc/28/97/19/412289719.db2.gz YZYWPXZIPVMLGK-BJDJZHNGSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744603 412290179 /nfs/dbraw/zinc/29/01/79/412290179.db2.gz AEDPEUBHUJAANJ-UTUOFQBUSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662750054 412291713 /nfs/dbraw/zinc/29/17/13/412291713.db2.gz OPNAHWSKDXJXTA-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+]C[C@H](C)CNc1[nH+]cnc2[nH]ccc21 ZINC000420184181 412292277 /nfs/dbraw/zinc/29/22/77/412292277.db2.gz ANKYLOATXFBHMN-QMMMGPOBSA-N 2 1 219.292 1.225 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662766598 412296100 /nfs/dbraw/zinc/29/61/00/412296100.db2.gz KUFWSYOQIBEATJ-UHFFFAOYSA-N 2 1 247.289 0.371 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792252 412304197 /nfs/dbraw/zinc/30/41/97/412304197.db2.gz PUFMYOYKIPUUGR-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011297 412369747 /nfs/dbraw/zinc/36/97/47/412369747.db2.gz OUNGGUOSWCVGEF-LLVKDONJSA-N 2 1 213.325 0.196 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012786 412370941 /nfs/dbraw/zinc/37/09/41/412370941.db2.gz ZFRTVHFAXJNUKO-NTZNESFSSA-N 2 1 239.363 0.727 20 0 BCADMP CCc1nocc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000339350116 172102023 /nfs/dbraw/zinc/10/20/23/172102023.db2.gz XPJWXEUWXRBDMZ-GFCCVEGCSA-N 2 1 239.319 0.393 20 0 BCADMP CN(C(=O)C(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336598378 172295501 /nfs/dbraw/zinc/29/55/01/172295501.db2.gz RIKZEWQJLDNUKS-SNVBAGLBSA-N 2 1 225.336 0.419 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000037898076 172357411 /nfs/dbraw/zinc/35/74/11/172357411.db2.gz DZXSASTWFAXLLL-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309395281 172358497 /nfs/dbraw/zinc/35/84/97/172358497.db2.gz STSRGIOOJSEEJT-MNOVXSKESA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000113983712 172412959 /nfs/dbraw/zinc/41/29/59/172412959.db2.gz GJAWPFXAVSTJAH-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](C)[C@H](C[NH2+]CC1(C)COC1)C1CC1 ZINC000309038185 172534260 /nfs/dbraw/zinc/53/42/60/172534260.db2.gz JLMIHQMNZSBVNK-LLVKDONJSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC000054377028 173018664 /nfs/dbraw/zinc/01/86/64/173018664.db2.gz SUSJQJLKGBAFBC-UHFFFAOYSA-N 2 1 221.308 0.077 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044751867 173020752 /nfs/dbraw/zinc/02/07/52/173020752.db2.gz QIKZJBQTJPBTNM-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040673650 173021605 /nfs/dbraw/zinc/02/16/05/173021605.db2.gz KGCRAVLVHMHPOU-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000114072982 173025020 /nfs/dbraw/zinc/02/50/20/173025020.db2.gz MGIWQSZDZNZZOJ-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000129130690 173026529 /nfs/dbraw/zinc/02/65/29/173026529.db2.gz CINBPHBXSSHBFC-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000129130690 173026530 /nfs/dbraw/zinc/02/65/30/173026530.db2.gz CINBPHBXSSHBFC-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@](F)(CO)C1 ZINC000338590816 173026796 /nfs/dbraw/zinc/02/67/96/173026796.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 1 230.327 0.877 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@](F)(CO)C1 ZINC000338590804 173028643 /nfs/dbraw/zinc/02/86/43/173028643.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 1 230.327 0.877 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CCO)CC1 ZINC000305100184 173028732 /nfs/dbraw/zinc/02/87/32/173028732.db2.gz BBNZPTFPBPJQHA-CYBMUJFWSA-N 2 1 241.379 0.081 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049175 173030957 /nfs/dbraw/zinc/03/09/57/173030957.db2.gz VHXFTZUSRCDXNG-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000336676051 173042524 /nfs/dbraw/zinc/04/25/24/173042524.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000336676051 173042526 /nfs/dbraw/zinc/04/25/26/173042526.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1COCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000336676051 173042527 /nfs/dbraw/zinc/04/25/27/173042527.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1COCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336676051 173042529 /nfs/dbraw/zinc/04/25/29/173042529.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000044538870 173042709 /nfs/dbraw/zinc/04/27/09/173042709.db2.gz DUCWTLAITZXQCO-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755446 173052752 /nfs/dbraw/zinc/05/27/52/173052752.db2.gz AQDFJSTWGBRMMW-QWRGUYRKSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755449 173055720 /nfs/dbraw/zinc/05/57/20/173055720.db2.gz AQDFJSTWGBRMMW-WDEREUQCSA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046553 173057599 /nfs/dbraw/zinc/05/75/99/173057599.db2.gz QYAMNNVLVGAEPJ-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@@H+]1CCN(C(=O)CC[NH3+])c2ccccc2C1 ZINC000237134040 173067328 /nfs/dbraw/zinc/06/73/28/173067328.db2.gz HWUGNGQDTHCJSZ-UHFFFAOYSA-N 2 1 233.315 0.814 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH3+])c2ccccc2C1 ZINC000237134040 173067329 /nfs/dbraw/zinc/06/73/29/173067329.db2.gz HWUGNGQDTHCJSZ-UHFFFAOYSA-N 2 1 233.315 0.814 20 0 BCADMP CN1CC[N@@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000357065401 173081526 /nfs/dbraw/zinc/08/15/26/173081526.db2.gz ADOPOWOYBCVBSS-UHFFFAOYSA-N 2 1 249.358 0.914 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763034 173115388 /nfs/dbraw/zinc/11/53/88/173115388.db2.gz OINFDZULLPVYOW-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000114073949 173116154 /nfs/dbraw/zinc/11/61/54/173116154.db2.gz CAWUWUIGPHGTIR-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2)C1 ZINC000358139374 173139101 /nfs/dbraw/zinc/13/91/01/173139101.db2.gz NKLJHFMRODIWHY-CYBMUJFWSA-N 2 1 238.306 0.982 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2)C1 ZINC000358139374 173139102 /nfs/dbraw/zinc/13/91/02/173139102.db2.gz NKLJHFMRODIWHY-CYBMUJFWSA-N 2 1 238.306 0.982 20 0 BCADMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000336358747 173141715 /nfs/dbraw/zinc/14/17/15/173141715.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000336358747 173141717 /nfs/dbraw/zinc/14/17/17/173141717.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000336358747 173141720 /nfs/dbraw/zinc/14/17/20/173141720.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000336615059 173141828 /nfs/dbraw/zinc/14/18/28/173141828.db2.gz HTTBKSRNHJGQBJ-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464042 173144936 /nfs/dbraw/zinc/14/49/36/173144936.db2.gz PBBMBDVLQNOLNX-NXEZZACHSA-N 2 1 227.352 0.428 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000114073947 173145729 /nfs/dbraw/zinc/14/57/29/173145729.db2.gz CAWUWUIGPHGTIR-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000114073947 173145731 /nfs/dbraw/zinc/14/57/31/173145731.db2.gz CAWUWUIGPHGTIR-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000114073947 173145732 /nfs/dbraw/zinc/14/57/32/173145732.db2.gz CAWUWUIGPHGTIR-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CN1CC[C@H]([N@@H+](C)CCCn2ccnc2)C1=O ZINC000124312125 173148555 /nfs/dbraw/zinc/14/85/55/173148555.db2.gz VTBQLXPOXJNMPA-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@H]21 ZINC000368609472 173151861 /nfs/dbraw/zinc/15/18/61/173151861.db2.gz YMXZYHZFCVVZSR-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367897783 173154997 /nfs/dbraw/zinc/15/49/97/173154997.db2.gz CAAJFTOGWWDGDE-RWMBFGLXSA-N 2 1 249.362 0.778 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367897783 173154998 /nfs/dbraw/zinc/15/49/98/173154998.db2.gz CAAJFTOGWWDGDE-RWMBFGLXSA-N 2 1 249.362 0.778 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000336762526 173164159 /nfs/dbraw/zinc/16/41/59/173164159.db2.gz LKWGEENRJHVATG-STQMWFEESA-N 2 1 224.348 0.999 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000336762526 173164161 /nfs/dbraw/zinc/16/41/61/173164161.db2.gz LKWGEENRJHVATG-STQMWFEESA-N 2 1 224.348 0.999 20 0 BCADMP Cn1cccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309552670 173164738 /nfs/dbraw/zinc/16/47/38/173164738.db2.gz ISURRVAGHVWKHU-LBPRGKRZSA-N 2 1 223.320 0.181 20 0 BCADMP Cn1cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309552670 173164740 /nfs/dbraw/zinc/16/47/40/173164740.db2.gz ISURRVAGHVWKHU-LBPRGKRZSA-N 2 1 223.320 0.181 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336450902 173168902 /nfs/dbraw/zinc/16/89/02/173168902.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336450902 173168904 /nfs/dbraw/zinc/16/89/04/173168904.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP CN(C)C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336450902 173168907 /nfs/dbraw/zinc/16/89/07/173168907.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 2 1 239.363 0.492 20 0 BCADMP CN(C)c1nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)cc[nH+]1 ZINC000362666011 173190772 /nfs/dbraw/zinc/19/07/72/173190772.db2.gz DORMDHNXWVGGGA-GHMZBOCLSA-N 2 1 247.346 0.540 20 0 BCADMP CN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000310126694 173195120 /nfs/dbraw/zinc/19/51/20/173195120.db2.gz GCQABGAGVMEWOW-RDFFEMEHSA-N 2 1 237.347 0.432 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000374760419 173197382 /nfs/dbraw/zinc/19/73/82/173197382.db2.gz JJUBEWSFHSQVJX-TXEJJXNPSA-N 2 1 234.347 0.456 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000374760419 173197384 /nfs/dbraw/zinc/19/73/84/173197384.db2.gz JJUBEWSFHSQVJX-TXEJJXNPSA-N 2 1 234.347 0.456 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000374760419 173197388 /nfs/dbraw/zinc/19/73/88/173197388.db2.gz JJUBEWSFHSQVJX-TXEJJXNPSA-N 2 1 234.347 0.456 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597056 173197599 /nfs/dbraw/zinc/19/75/99/173197599.db2.gz KXQIJELNNDEKMN-XQHKEYJVSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597056 173197601 /nfs/dbraw/zinc/19/76/01/173197601.db2.gz KXQIJELNNDEKMN-XQHKEYJVSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597056 173197604 /nfs/dbraw/zinc/19/76/04/173197604.db2.gz KXQIJELNNDEKMN-XQHKEYJVSA-N 2 1 224.348 0.783 20 0 BCADMP CN(C)c1nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)cc[nH+]1 ZINC000362666013 173200367 /nfs/dbraw/zinc/20/03/67/173200367.db2.gz DORMDHNXWVGGGA-QWRGUYRKSA-N 2 1 247.346 0.540 20 0 BCADMP CNC(=O)[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000042561636 173303476 /nfs/dbraw/zinc/30/34/76/173303476.db2.gz JHAMDVCITGAUHW-VPOLOUISSA-N 2 1 227.352 0.439 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000042561636 173303478 /nfs/dbraw/zinc/30/34/78/173303478.db2.gz JHAMDVCITGAUHW-VPOLOUISSA-N 2 1 227.352 0.439 20 0 BCADMP C[NH2+]CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000237224153 173329399 /nfs/dbraw/zinc/32/93/99/173329399.db2.gz ITTYFNKFXQNPQI-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250750942 173341371 /nfs/dbraw/zinc/34/13/71/173341371.db2.gz OZLZMOJIMVOWRD-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000221434404 173341725 /nfs/dbraw/zinc/34/17/25/173341725.db2.gz DJAVFUJTDGOVTR-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357236263 173341751 /nfs/dbraw/zinc/34/17/51/173341751.db2.gz CLQZAKGSMHKXOP-ZJUUUORDSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357240793 173341762 /nfs/dbraw/zinc/34/17/62/173341762.db2.gz KGAGLZQTBHDASP-ONGXEEELSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+]CCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000037477633 173343755 /nfs/dbraw/zinc/34/37/55/173343755.db2.gz VZKYQOJNNKUHJG-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000237206000 173344330 /nfs/dbraw/zinc/34/43/30/173344330.db2.gz IQJZOSRFTMQQPE-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000336741005 173346898 /nfs/dbraw/zinc/34/68/98/173346898.db2.gz MVIRLMNVGFWWBC-QJPTWQEYSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000336741005 173346900 /nfs/dbraw/zinc/34/69/00/173346900.db2.gz MVIRLMNVGFWWBC-QJPTWQEYSA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357085425 173347394 /nfs/dbraw/zinc/34/73/94/173347394.db2.gz SVCSRFKMBMVNOI-CYBMUJFWSA-N 2 1 225.380 0.917 20 0 BCADMP C[NH2+]CCC[N@@H+](CCCCO)C1CC1 ZINC000308887939 173347451 /nfs/dbraw/zinc/34/74/51/173347451.db2.gz VAOOHVRPIMXKKD-UHFFFAOYSA-N 2 1 200.326 0.833 20 0 BCADMP C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000377126196 173348014 /nfs/dbraw/zinc/34/80/14/173348014.db2.gz JDARYMWKNDEDBH-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000308873908 173349915 /nfs/dbraw/zinc/34/99/15/173349915.db2.gz MDTUGBUZEKADFU-MRVPVSSYSA-N 2 1 201.314 0.086 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269141664 173354963 /nfs/dbraw/zinc/35/49/63/173354963.db2.gz AOVZYJGRJVBOLP-GFCCVEGCSA-N 2 1 249.358 0.843 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000237084319 173368832 /nfs/dbraw/zinc/36/88/32/173368832.db2.gz SAEVTOMLIWUTPL-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132898856 173375055 /nfs/dbraw/zinc/37/50/55/173375055.db2.gz XTULJBRPJQIWNS-QJPTWQEYSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269253091 173375530 /nfs/dbraw/zinc/37/55/30/173375530.db2.gz IBMVVAJFXJPOHR-VIFPVBQESA-N 2 1 236.319 0.942 20 0 BCADMP COCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119680263 174215213 /nfs/dbraw/zinc/21/52/13/174215213.db2.gz WEKOAXNEXHSZBH-UHFFFAOYSA-N 2 1 243.395 0.592 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@H]1CCC[NH2+]C1 ZINC000042425403 174223317 /nfs/dbraw/zinc/22/33/17/174223317.db2.gz RDKXGNVTICUGCW-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000340703810 174224478 /nfs/dbraw/zinc/22/44/78/174224478.db2.gz UODMVAQEFSEPBW-LBPRGKRZSA-N 2 1 230.352 0.317 20 0 BCADMP COCC[N@@H+](CCO)CCCn1ccnc1C ZINC000127334301 174292802 /nfs/dbraw/zinc/29/28/02/174292802.db2.gz TYAHGUIJJZEBQE-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP COCC[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000127334301 174292804 /nfs/dbraw/zinc/29/28/04/174292804.db2.gz TYAHGUIJJZEBQE-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP COCC[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000127334301 174292806 /nfs/dbraw/zinc/29/28/06/174292806.db2.gz TYAHGUIJJZEBQE-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000309933328 174305455 /nfs/dbraw/zinc/30/54/55/174305455.db2.gz YWKXYSMURRBUTF-UHFFFAOYSA-N 2 1 230.352 0.459 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)O)CC1 ZINC000341266254 174305559 /nfs/dbraw/zinc/30/55/59/174305559.db2.gz BJYSGXKPMRAXGK-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP COCCOCC[N@H+](C)CCn1cc[nH+]c1C ZINC000288546927 174352310 /nfs/dbraw/zinc/35/23/10/174352310.db2.gz ALTALLPHZUBQSJ-UHFFFAOYSA-N 2 1 241.335 0.786 20 0 BCADMP COCCOCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000288546927 174352312 /nfs/dbraw/zinc/35/23/12/174352312.db2.gz ALTALLPHZUBQSJ-UHFFFAOYSA-N 2 1 241.335 0.786 20 0 BCADMP COCCOCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122324074 174354561 /nfs/dbraw/zinc/35/45/61/174354561.db2.gz VAPYMSDQXMMPJF-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000383496485 487629757 /nfs/dbraw/zinc/62/97/57/487629757.db2.gz DGCZBFUVMBIEGR-UPJWGTAASA-N 2 1 244.379 0.702 20 0 BCADMP COc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000042441728 175254399 /nfs/dbraw/zinc/25/43/99/175254399.db2.gz ZVJXRIPMNNRAES-NSHDSACASA-N 2 1 224.304 0.447 20 0 BCADMP COc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000042441728 175254400 /nfs/dbraw/zinc/25/44/00/175254400.db2.gz ZVJXRIPMNNRAES-NSHDSACASA-N 2 1 224.304 0.447 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237678190 176071806 /nfs/dbraw/zinc/07/18/06/176071806.db2.gz BYHFSAHWZBPQAD-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000050247915 176092123 /nfs/dbraw/zinc/09/21/23/176092123.db2.gz DZFVHZCEVBVYDJ-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000050247915 176092124 /nfs/dbraw/zinc/09/21/24/176092124.db2.gz DZFVHZCEVBVYDJ-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2([NH3+])CC2)C1 ZINC000237539411 176097664 /nfs/dbraw/zinc/09/76/64/176097664.db2.gz VCGHZLQITYKZBF-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000249133982 176098448 /nfs/dbraw/zinc/09/84/48/176098448.db2.gz YKMNVTKAWBMLKZ-IJLUTSLNSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[NH+](C)C ZINC000341411423 176115378 /nfs/dbraw/zinc/11/53/78/176115378.db2.gz HNZIYHKDIUXEBT-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1CO ZINC000336703115 176171917 /nfs/dbraw/zinc/17/19/17/176171917.db2.gz KFQFVKIIOFDLDY-WXHSDQCUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1CO ZINC000336703115 176171918 /nfs/dbraw/zinc/17/19/18/176171918.db2.gz KFQFVKIIOFDLDY-WXHSDQCUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1CO ZINC000336703115 176171919 /nfs/dbraw/zinc/17/19/19/176171919.db2.gz KFQFVKIIOFDLDY-WXHSDQCUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1CO ZINC000336703115 176171920 /nfs/dbraw/zinc/17/19/20/176171920.db2.gz KFQFVKIIOFDLDY-WXHSDQCUSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CCNC(=O)[C@H]1NCc1cncn1C ZINC000309739134 176184279 /nfs/dbraw/zinc/18/42/79/176184279.db2.gz CYIIXZYGPRQWNY-SCZZXKLOSA-N 2 1 222.292 0.034 20 0 BCADMP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000104141638 176245203 /nfs/dbraw/zinc/24/52/03/176245203.db2.gz IEWUHNLAKPLPMR-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000104141638 176245204 /nfs/dbraw/zinc/24/52/04/176245204.db2.gz IEWUHNLAKPLPMR-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC000226402413 176267372 /nfs/dbraw/zinc/26/73/72/176267372.db2.gz BXTGOXDBZNSQFN-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC000226402413 176267373 /nfs/dbraw/zinc/26/73/73/176267373.db2.gz BXTGOXDBZNSQFN-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000226401698 176267444 /nfs/dbraw/zinc/26/74/44/176267444.db2.gz HQUPWFBDANAVHJ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000226401698 176267445 /nfs/dbraw/zinc/26/74/45/176267445.db2.gz HQUPWFBDANAVHJ-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309784909 176268192 /nfs/dbraw/zinc/26/81/92/176268192.db2.gz NULMCXNJZMRRIX-RTXFEEFZSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000309792230 176268303 /nfs/dbraw/zinc/26/83/03/176268303.db2.gz PMYSRILVIDTMFS-WOPDTQHZSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000309492426 176269116 /nfs/dbraw/zinc/26/91/16/176269116.db2.gz SODAOBVFSROPQD-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000309492426 176269117 /nfs/dbraw/zinc/26/91/17/176269117.db2.gz SODAOBVFSROPQD-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340420805 176269919 /nfs/dbraw/zinc/26/99/19/176269919.db2.gz ZIRJAKPKAYOLEH-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCC1 ZINC000309162414 176270230 /nfs/dbraw/zinc/27/02/30/176270230.db2.gz ZOOGRNHAXVAKBR-VXGBXAGGSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000362740280 176275971 /nfs/dbraw/zinc/27/59/71/176275971.db2.gz HXWWWPLYMZSOIC-IJLUTSLNSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCCO ZINC000036908376 176278255 /nfs/dbraw/zinc/27/82/55/176278255.db2.gz AUILJWBNYPIDRC-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000358081093 176279201 /nfs/dbraw/zinc/27/92/01/176279201.db2.gz KNTBZNXPSNHCEC-IJLUTSLNSA-N 2 1 237.351 0.596 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038060880 176280286 /nfs/dbraw/zinc/28/02/86/176280286.db2.gz KMEHOFPZBWQXGE-FDYHWXHSSA-N 2 1 242.363 0.720 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213352 176281223 /nfs/dbraw/zinc/28/12/23/176281223.db2.gz NRHZXORENDBSKJ-MWLCHTKSSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCC1 ZINC000126970695 176367511 /nfs/dbraw/zinc/36/75/11/176367511.db2.gz ILFXCGQEXMTQMK-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCCC1 ZINC000126970695 176367513 /nfs/dbraw/zinc/36/75/13/176367513.db2.gz ILFXCGQEXMTQMK-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NC1CCCC1 ZINC000131794002 176368083 /nfs/dbraw/zinc/36/80/83/176368083.db2.gz NGXYDVJEWIKJFO-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NC1CCCC1 ZINC000131794002 176368085 /nfs/dbraw/zinc/36/80/85/176368085.db2.gz NGXYDVJEWIKJFO-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])CCN1C ZINC000357076916 176371294 /nfs/dbraw/zinc/37/12/94/176371294.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357076916 176371297 /nfs/dbraw/zinc/37/12/97/176371297.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC[NH3+])CC[N@H+]1C ZINC000357076916 176371298 /nfs/dbraw/zinc/37/12/98/176371298.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 3 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357076916 176371300 /nfs/dbraw/zinc/37/13/00/176371300.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])CC[NH+]1C ZINC000357076916 176371301 /nfs/dbraw/zinc/37/13/01/176371301.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CCOCC[NH3+])CC[N@@H+]1C ZINC000357076916 176371303 /nfs/dbraw/zinc/37/13/03/176371303.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H](N(C)CCOCC[NH3+])CC[N@H+]1C ZINC000357076916 176371304 /nfs/dbraw/zinc/37/13/04/176371304.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)C)CCN1C ZINC000357725768 176371749 /nfs/dbraw/zinc/37/17/49/176371749.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)C)CC[N@@H+]1C ZINC000357725768 176371750 /nfs/dbraw/zinc/37/17/50/176371750.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)C)CC[N@H+]1C ZINC000357725768 176371751 /nfs/dbraw/zinc/37/17/51/176371751.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725768 176371752 /nfs/dbraw/zinc/37/17/52/176371752.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725768 176371753 /nfs/dbraw/zinc/37/17/53/176371753.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000237507138 176373219 /nfs/dbraw/zinc/37/32/19/176373219.db2.gz KMUMTAGCFPKNHL-RKDXNWHRSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000246240264 176373445 /nfs/dbraw/zinc/37/34/45/176373445.db2.gz IRJGTILJGFOWAD-CKYFFXLPSA-N 2 1 237.347 0.480 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@H+]1C ZINC000309098290 176375206 /nfs/dbraw/zinc/37/52/06/176375206.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000077302143 177039470 /nfs/dbraw/zinc/03/94/70/177039470.db2.gz SUZKZFIPYJKDMC-ZYHUDNBSSA-N 2 1 208.305 0.999 20 0 BCADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256743 177052742 /nfs/dbraw/zinc/05/27/42/177052742.db2.gz DOGVBFXHVIVBEO-ZJUUUORDSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256743 177052743 /nfs/dbraw/zinc/05/27/43/177052743.db2.gz DOGVBFXHVIVBEO-ZJUUUORDSA-N 2 1 206.293 0.818 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[NH3+] ZINC000019471022 177075346 /nfs/dbraw/zinc/07/53/46/177075346.db2.gz BHJJZDCIMMNNJI-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253939 177096161 /nfs/dbraw/zinc/09/61/61/177096161.db2.gz DMLPRDIUXLORBG-VIFPVBQESA-N 2 1 212.341 0.980 20 0 BCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CCC[NH3+])C1 ZINC000237575064 177097920 /nfs/dbraw/zinc/09/79/20/177097920.db2.gz NRTRYSGCMVDPFZ-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336343914 177156753 /nfs/dbraw/zinc/15/67/53/177156753.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336343914 177156755 /nfs/dbraw/zinc/15/67/55/177156755.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336343914 177156756 /nfs/dbraw/zinc/15/67/56/177156756.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CO ZINC000227216397 177158078 /nfs/dbraw/zinc/15/80/78/177158078.db2.gz SKUVSBUDJUYXEC-CMPLNLGQSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000127159079 177175378 /nfs/dbraw/zinc/17/53/78/177175378.db2.gz SJBLJAHBVNDXMC-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000358719448 177224889 /nfs/dbraw/zinc/22/48/89/177224889.db2.gz ZHWRFMJCBBLBFK-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000358719448 177224890 /nfs/dbraw/zinc/22/48/90/177224890.db2.gz ZHWRFMJCBBLBFK-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000358719448 177224892 /nfs/dbraw/zinc/22/48/92/177224892.db2.gz ZHWRFMJCBBLBFK-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000358719448 177224894 /nfs/dbraw/zinc/22/48/94/177224894.db2.gz ZHWRFMJCBBLBFK-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352495057 177233763 /nfs/dbraw/zinc/23/37/63/177233763.db2.gz IHAJKOKABQRDMJ-NWDGAFQWSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000223211273 177301545 /nfs/dbraw/zinc/30/15/45/177301545.db2.gz XBWWJGXWBZTPHJ-VHSXEESVSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000352483115 177308229 /nfs/dbraw/zinc/30/82/29/177308229.db2.gz YFZUQSKEEZXEPE-TUAOUCFPSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237637105 177312153 /nfs/dbraw/zinc/31/21/53/177312153.db2.gz DOHFIIFKFGGYSA-PHIMTYICSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000122355784 177324061 /nfs/dbraw/zinc/32/40/61/177324061.db2.gz JXSPLVRVMIBAHT-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)C1CC1 ZINC000122355784 177324063 /nfs/dbraw/zinc/32/40/63/177324063.db2.gz JXSPLVRVMIBAHT-UWVGGRQHSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000237638562 177325721 /nfs/dbraw/zinc/32/57/21/177325721.db2.gz QJGNEKICBIXYTA-UWVGGRQHSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000237443832 177326122 /nfs/dbraw/zinc/32/61/22/177326122.db2.gz BUSXAUUSPSUJSC-AEJSXWLSSA-N 2 1 213.325 0.275 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)C)CC[N@@H+]1C ZINC000357725770 177327445 /nfs/dbraw/zinc/32/74/45/177327445.db2.gz CYDOHPAMKQEKQK-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)C)CC[N@H+]1C ZINC000357725770 177327446 /nfs/dbraw/zinc/32/74/46/177327446.db2.gz CYDOHPAMKQEKQK-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725770 177327447 /nfs/dbraw/zinc/32/74/47/177327447.db2.gz CYDOHPAMKQEKQK-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)C)CC[NH+]1C ZINC000357725770 177327448 /nfs/dbraw/zinc/32/74/48/177327448.db2.gz CYDOHPAMKQEKQK-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000237540049 177328507 /nfs/dbraw/zinc/32/85/07/177328507.db2.gz KMUMTAGCFPKNHL-DTWKUNHWSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226864114 177329783 /nfs/dbraw/zinc/32/97/83/177329783.db2.gz MSNJCURMHZQZBY-UTLUCORTSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000358081092 177331611 /nfs/dbraw/zinc/33/16/11/177331611.db2.gz KNTBZNXPSNHCEC-GRYCIOLGSA-N 2 1 237.351 0.596 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NC1CCCC1 ZINC000131793828 177361772 /nfs/dbraw/zinc/36/17/72/177361772.db2.gz NGXYDVJEWIKJFO-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NC1CCCC1 ZINC000131793828 177361774 /nfs/dbraw/zinc/36/17/74/177361774.db2.gz NGXYDVJEWIKJFO-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCOCCO)CC[N@@H+]1C ZINC000123703231 177364040 /nfs/dbraw/zinc/36/40/40/177364040.db2.gz KSHFMARJOHHYHU-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCOCCO)CC[N@H+]1C ZINC000123703231 177364042 /nfs/dbraw/zinc/36/40/42/177364042.db2.gz KSHFMARJOHHYHU-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@H]([N@H+](C)CCOCCO)CC[NH+]1C ZINC000123703231 177364043 /nfs/dbraw/zinc/36/40/43/177364043.db2.gz KSHFMARJOHHYHU-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)CCOCCO)CC[NH+]1C ZINC000123703231 177364045 /nfs/dbraw/zinc/36/40/45/177364045.db2.gz KSHFMARJOHHYHU-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000237562153 177367489 /nfs/dbraw/zinc/36/74/89/177367489.db2.gz WHZSDBVROJKIBV-IUCAKERBSA-N 2 1 223.320 0.219 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336714015 177371573 /nfs/dbraw/zinc/37/15/73/177371573.db2.gz OYKXJKKCWVXPQC-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336714015 177371575 /nfs/dbraw/zinc/37/15/75/177371575.db2.gz OYKXJKKCWVXPQC-GRYCIOLGSA-N 2 1 241.379 0.926 20 0 BCADMP C[N@H+](CCOCc1ccccc1)C[C@H](O)C[NH3+] ZINC000306742361 487642044 /nfs/dbraw/zinc/64/20/44/487642044.db2.gz VVKRMWIGEJXQFE-CYBMUJFWSA-N 2 1 238.331 0.455 20 0 BCADMP C[N@@H+](CCOCc1ccccc1)C[C@H](O)C[NH3+] ZINC000306742361 487642048 /nfs/dbraw/zinc/64/20/48/487642048.db2.gz VVKRMWIGEJXQFE-CYBMUJFWSA-N 2 1 238.331 0.455 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400417464 225225548 /nfs/dbraw/zinc/22/55/48/225225548.db2.gz VPOQEPLEDTUYLG-NAKRPEOUSA-N 2 1 200.326 0.876 20 0 BCADMP c1cn2c([nH+]1)C[C@H](NC1=[NH+]CCCN1)CC2 ZINC000487496200 225307929 /nfs/dbraw/zinc/30/79/29/225307929.db2.gz HPNSTPBQYQLHJU-SECBINFHSA-N 2 1 219.292 0.137 20 0 BCADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C\c1ccncc1 ZINC000487577114 225316583 /nfs/dbraw/zinc/31/65/83/225316583.db2.gz QUGZXZYTZDAPKD-WSNITJDQSA-N 2 1 249.358 0.997 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C\C[NH+](C)C ZINC000493172122 226145695 /nfs/dbraw/zinc/14/56/95/226145695.db2.gz PGNQEPCXNJJDIQ-VFFGBVLKSA-N 2 1 239.363 0.657 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/C[NH+](C)C ZINC000493172124 226145840 /nfs/dbraw/zinc/14/58/40/226145840.db2.gz PGNQEPCXNJJDIQ-WMADIVHISA-N 2 1 239.363 0.657 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493900430 226259018 /nfs/dbraw/zinc/25/90/18/226259018.db2.gz LYTXZHCGHVXMCU-GMOBBJLQSA-N 2 1 239.363 0.569 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400335042 226341197 /nfs/dbraw/zinc/34/11/97/226341197.db2.gz FTLYIYSGZJMVTM-NWDGAFQWSA-N 2 1 229.368 0.295 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400457210 226343938 /nfs/dbraw/zinc/34/39/38/226343938.db2.gz QFHYMGFGWPJTMD-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637593 487654954 /nfs/dbraw/zinc/65/49/54/487654954.db2.gz PYOGXLBWSIMAKP-ZDUSSCGKSA-N 3 1 223.364 0.801 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637593 487654960 /nfs/dbraw/zinc/65/49/60/487654960.db2.gz PYOGXLBWSIMAKP-ZDUSSCGKSA-N 3 1 223.364 0.801 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000383660676 487658962 /nfs/dbraw/zinc/65/89/62/487658962.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000383660676 487658965 /nfs/dbraw/zinc/65/89/65/487658965.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000383660676 487658967 /nfs/dbraw/zinc/65/89/67/487658967.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000383660676 487658969 /nfs/dbraw/zinc/65/89/69/487658969.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CN(CCCc1c[nH+]cn1C)C1C[NH2+]C1 ZINC000314973701 487669091 /nfs/dbraw/zinc/66/90/91/487669091.db2.gz WVDMOLTWPZPBHE-UHFFFAOYSA-N 2 1 208.309 0.256 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000393784493 487687727 /nfs/dbraw/zinc/68/77/27/487687727.db2.gz WMSGTEOKSCVNIQ-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000393784493 487687731 /nfs/dbraw/zinc/68/77/31/487687731.db2.gz WMSGTEOKSCVNIQ-SDDRHHMPSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000226271895 487700592 /nfs/dbraw/zinc/70/05/92/487700592.db2.gz OPJPOVPPFLZNFQ-WRWGMCAJSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000226271895 487700596 /nfs/dbraw/zinc/70/05/96/487700596.db2.gz OPJPOVPPFLZNFQ-WRWGMCAJSA-N 2 1 212.337 0.972 20 0 BCADMP CC[N@@H+](CCO)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000681108862 487728219 /nfs/dbraw/zinc/72/82/19/487728219.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108862 487728225 /nfs/dbraw/zinc/72/82/25/487728225.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 1 243.395 0.373 20 0 BCADMP CC[NH+](CCO)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108862 487728231 /nfs/dbraw/zinc/72/82/31/487728231.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 1 243.395 0.373 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394228 487730321 /nfs/dbraw/zinc/73/03/21/487730321.db2.gz OGLVTAHWERCLCI-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H](C)[NH3+])C1CC1 ZINC000226398115 487731201 /nfs/dbraw/zinc/73/12/01/487731201.db2.gz HMEZVOKSHNFCRV-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772386 487731415 /nfs/dbraw/zinc/73/14/15/487731415.db2.gz BIQOKXUDSIOITM-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453494 487741714 /nfs/dbraw/zinc/74/17/14/487741714.db2.gz RXFYIRWIPGXFBJ-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP COC[C@H](C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000163552537 487744659 /nfs/dbraw/zinc/74/46/59/487744659.db2.gz WYJLEFROQKUZPN-MXWKQRLJSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000163552537 487744662 /nfs/dbraw/zinc/74/46/62/487744662.db2.gz WYJLEFROQKUZPN-MXWKQRLJSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163554167 487744669 /nfs/dbraw/zinc/74/46/69/487744669.db2.gz QUXUNXRNZZEVCB-MXWKQRLJSA-N 2 1 200.326 0.938 20 0 BCADMP CN(C)c1nc(N[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000082924366 487755213 /nfs/dbraw/zinc/75/52/13/487755213.db2.gz WUIBFYCOCLGYRM-MRVPVSSYSA-N 2 1 207.281 0.316 20 0 BCADMP CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401724162 487763351 /nfs/dbraw/zinc/76/33/51/487763351.db2.gz KUGDDPOLOYFDLV-GWCFXTLKSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C1([NH3+])CCC1 ZINC000380858710 487771977 /nfs/dbraw/zinc/77/19/77/487771977.db2.gz ZBPUBJTZKXDNFT-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP C[NH+]1CCC(CCO)([NH2+]CC2(C)COC2)CC1 ZINC000655789251 487776322 /nfs/dbraw/zinc/77/63/22/487776322.db2.gz YCEGIYUOQQIIAX-UHFFFAOYSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000251642642 487781039 /nfs/dbraw/zinc/78/10/39/487781039.db2.gz SEBAYBRILLWSFH-AXFHLTTASA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000251642642 487781043 /nfs/dbraw/zinc/78/10/43/487781043.db2.gz SEBAYBRILLWSFH-AXFHLTTASA-N 2 1 214.309 0.071 20 0 BCADMP CC[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251877071 487805026 /nfs/dbraw/zinc/80/50/26/487805026.db2.gz UWXGOKHSKMCALC-NWDGAFQWSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251877071 487805029 /nfs/dbraw/zinc/80/50/29/487805029.db2.gz UWXGOKHSKMCALC-NWDGAFQWSA-N 2 1 222.336 0.979 20 0 BCADMP O=C1CC[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N1 ZINC000156107106 487814383 /nfs/dbraw/zinc/81/43/83/487814383.db2.gz YNZBRXZUEAXIPC-SDDRHHMPSA-N 2 1 237.347 0.481 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402749720 487848843 /nfs/dbraw/zinc/84/88/43/487848843.db2.gz BPVQXJAFOYDSEI-NHCYSSNCSA-N 2 1 225.336 0.311 20 0 BCADMP CN1CCC([N@H+](CCO)Cc2cn[nH]c2)CC1 ZINC000676414141 487850422 /nfs/dbraw/zinc/85/04/22/487850422.db2.gz PBJBMKYWLDDWQT-UHFFFAOYSA-N 2 1 238.335 0.298 20 0 BCADMP CN1CCC([N@@H+](CCO)Cc2cn[nH]c2)CC1 ZINC000676414141 487850425 /nfs/dbraw/zinc/85/04/25/487850425.db2.gz PBJBMKYWLDDWQT-UHFFFAOYSA-N 2 1 238.335 0.298 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000253125782 487855547 /nfs/dbraw/zinc/85/55/47/487855547.db2.gz QUXUNXRNZZEVCB-VWYCJHECSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000234788340 487877955 /nfs/dbraw/zinc/87/79/55/487877955.db2.gz IRTYMMGYNXFSPS-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251115403 644793685 /nfs/dbraw/zinc/79/36/85/644793685.db2.gz VESSJJYNVOZTFD-VWYCJHECSA-N 2 1 200.326 0.959 20 0 BCADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000403808056 487891678 /nfs/dbraw/zinc/89/16/78/487891678.db2.gz JYQQVZXUPITFHU-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403818395 487891305 /nfs/dbraw/zinc/89/13/05/487891305.db2.gz MOOZXJKEYPMKIK-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825749 487891823 /nfs/dbraw/zinc/89/18/23/487891823.db2.gz OPKNAKVJRNXKJA-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000652257672 487895110 /nfs/dbraw/zinc/89/51/10/487895110.db2.gz ZLSMRIMDKKTLFK-XWLWVQCSSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000652257672 487895113 /nfs/dbraw/zinc/89/51/13/487895113.db2.gz ZLSMRIMDKKTLFK-XWLWVQCSSA-N 2 1 225.336 0.323 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000157727147 487919021 /nfs/dbraw/zinc/91/90/21/487919021.db2.gz IEVOZWRWVGXTGM-WDEREUQCSA-N 2 1 237.347 0.611 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363659 487932649 /nfs/dbraw/zinc/93/26/49/487932649.db2.gz KOMNAMJLGPDRNB-LOWDOPEQSA-N 2 1 241.379 0.694 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363659 487932653 /nfs/dbraw/zinc/93/26/53/487932653.db2.gz KOMNAMJLGPDRNB-LOWDOPEQSA-N 2 1 241.379 0.694 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474605 487937427 /nfs/dbraw/zinc/93/74/27/487937427.db2.gz ICEMYSMQWJPPKY-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1C ZINC000677172000 487951469 /nfs/dbraw/zinc/95/14/69/487951469.db2.gz CGTNREVLCZKWIM-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000677172000 487951472 /nfs/dbraw/zinc/95/14/72/487951472.db2.gz CGTNREVLCZKWIM-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000677172000 487951478 /nfs/dbraw/zinc/95/14/78/487951478.db2.gz CGTNREVLCZKWIM-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479752 323017718 /nfs/dbraw/zinc/01/77/18/323017718.db2.gz LLDICWZQRXVMEI-IJLUTSLNSA-N 2 1 237.351 0.583 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489214 323021305 /nfs/dbraw/zinc/02/13/05/323021305.db2.gz YFHPTMYRXFFLMR-GRYCIOLGSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H](NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000562957193 323035169 /nfs/dbraw/zinc/03/51/69/323035169.db2.gz VTIXXRFLUBCHGS-PWSUYJOCSA-N 2 1 211.353 0.716 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000569723617 323038784 /nfs/dbraw/zinc/03/87/84/323038784.db2.gz GACMCZWXHHHPFL-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000569723617 323038785 /nfs/dbraw/zinc/03/87/85/323038785.db2.gz GACMCZWXHHHPFL-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP CC(=O)NCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000569723317 323038816 /nfs/dbraw/zinc/03/88/16/323038816.db2.gz JDTGUVBDJCIVHO-PWSUYJOCSA-N 2 1 227.352 0.442 20 0 BCADMP CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000569962453 323045857 /nfs/dbraw/zinc/04/58/57/323045857.db2.gz YDGCXUVDMBVQDB-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000569985200 323046853 /nfs/dbraw/zinc/04/68/53/323046853.db2.gz AUOCMLUUOOEDMS-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000569985200 323046854 /nfs/dbraw/zinc/04/68/54/323046854.db2.gz AUOCMLUUOOEDMS-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP C[C@@H]1CN(CC[NH2+][C@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046105 323048444 /nfs/dbraw/zinc/04/84/44/323048444.db2.gz QTNKTEZTUJOPAG-DGCLKSJQSA-N 2 1 241.379 0.424 20 0 BCADMP Cn1cnnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572644115 323057327 /nfs/dbraw/zinc/05/73/27/323057327.db2.gz NYBGNOMJDOIDRV-VXGBXAGGSA-N 2 1 249.362 0.637 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000570424830 323059313 /nfs/dbraw/zinc/05/93/13/323059313.db2.gz SRUVHBWUHTZWGV-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000570424830 323059314 /nfs/dbraw/zinc/05/93/14/323059314.db2.gz SRUVHBWUHTZWGV-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000570424830 323059315 /nfs/dbraw/zinc/05/93/15/323059315.db2.gz SRUVHBWUHTZWGV-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635789 323065525 /nfs/dbraw/zinc/06/55/25/323065525.db2.gz WKMILBXVHYCZEJ-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109160 323093064 /nfs/dbraw/zinc/09/30/64/323093064.db2.gz ZMFXUZICBYECDK-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135573 323094545 /nfs/dbraw/zinc/09/45/45/323094545.db2.gz QREZUACTUNUMRS-UTUOFQBUSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136745 323094845 /nfs/dbraw/zinc/09/48/45/323094845.db2.gz UDLGWLOZIXGHIR-GRYCIOLGSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136745 323094846 /nfs/dbraw/zinc/09/48/46/323094846.db2.gz UDLGWLOZIXGHIR-GRYCIOLGSA-N 3 1 227.352 0.034 20 0 BCADMP COCCOCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150071 323095528 /nfs/dbraw/zinc/09/55/28/323095528.db2.gz JGRDJYQBBUELCT-CYBMUJFWSA-N 2 1 242.363 0.725 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567891963 323097090 /nfs/dbraw/zinc/09/70/90/323097090.db2.gz ASOISRZRRGSHEF-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209687 323102018 /nfs/dbraw/zinc/10/20/18/323102018.db2.gz WKMILBXVHYCZEJ-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP c1ncn(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000563215644 323103018 /nfs/dbraw/zinc/10/30/18/323103018.db2.gz ULMQLZZQIWXMRY-QWHCGFSZSA-N 2 1 249.362 0.600 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624381 323109320 /nfs/dbraw/zinc/10/93/20/323109320.db2.gz QNVKRXAFSLDOOI-VXGBXAGGSA-N 2 1 241.379 0.816 20 0 BCADMP [NH3+]Cc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000563625132 323132327 /nfs/dbraw/zinc/13/23/27/323132327.db2.gz VIMXXYHPKWATST-SECBINFHSA-N 2 1 218.260 0.771 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCS1 ZINC000563628283 323132423 /nfs/dbraw/zinc/13/24/23/323132423.db2.gz CMMTYLMRTODLHN-MNOVXSKESA-N 2 1 232.393 0.784 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCS1 ZINC000563628283 323132424 /nfs/dbraw/zinc/13/24/24/323132424.db2.gz CMMTYLMRTODLHN-MNOVXSKESA-N 2 1 232.393 0.784 20 0 BCADMP C[NH+](C)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000571104871 323135566 /nfs/dbraw/zinc/13/55/66/323135566.db2.gz VVWXEOBRCZANKC-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571169058 323137455 /nfs/dbraw/zinc/13/74/55/323137455.db2.gz JFYVBDUTSQDVHI-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC(F)F ZINC000571439258 323144866 /nfs/dbraw/zinc/14/48/66/323144866.db2.gz MQZVGGDCZPKCHY-SECBINFHSA-N 2 1 249.305 0.522 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000571573338 323148132 /nfs/dbraw/zinc/14/81/32/323148132.db2.gz ZDAIGEMWWAWZBW-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000563708125 323174709 /nfs/dbraw/zinc/17/47/09/323174709.db2.gz QJRQUVUEIXCZNS-QJPTWQEYSA-N 2 1 228.336 0.474 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000563708125 323174710 /nfs/dbraw/zinc/17/47/10/323174710.db2.gz QJRQUVUEIXCZNS-QJPTWQEYSA-N 2 1 228.336 0.474 20 0 BCADMP C[C@@H]([NH2+]CCSCCCO)[C@H]1CCC[NH2+]1 ZINC000400427594 323179116 /nfs/dbraw/zinc/17/91/16/323179116.db2.gz ZLVBYHPYPZQQQU-GHMZBOCLSA-N 2 1 232.393 0.832 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@@H](C)C1 ZINC000530226751 323219432 /nfs/dbraw/zinc/21/94/32/323219432.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000532515937 323272385 /nfs/dbraw/zinc/27/23/85/323272385.db2.gz VAWLQIRGWKPANP-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@@H](COC)[NH2+]CCc1c[nH+]cn1C ZINC000309143618 323319999 /nfs/dbraw/zinc/31/99/99/323319999.db2.gz HVIOBIQVABFIKO-JTQLQIEISA-N 2 1 211.309 0.977 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000563968677 323335261 /nfs/dbraw/zinc/33/52/61/323335261.db2.gz LKHGBQXHKZYSGQ-YUMQZZPRSA-N 2 1 235.278 0.214 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000165348003 487959694 /nfs/dbraw/zinc/95/96/94/487959694.db2.gz HRQKSDOHEWQJQU-LPEHRKFASA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000537213983 324041037 /nfs/dbraw/zinc/04/10/37/324041037.db2.gz FHSXNYNKBGUSLE-UHFFFAOYSA-N 2 1 229.368 0.737 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000537215365 324038429 /nfs/dbraw/zinc/03/84/29/324038429.db2.gz BWSXBOJLVXOMBZ-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP CO[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000520814260 324110258 /nfs/dbraw/zinc/11/02/58/324110258.db2.gz JEFDMTHISRJYRY-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000520814260 324110252 /nfs/dbraw/zinc/11/02/52/324110252.db2.gz JEFDMTHISRJYRY-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP CCn1nncc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000530211677 324528071 /nfs/dbraw/zinc/52/80/71/324528071.db2.gz PLBRLQBQNSKJRC-CMPLNLGQSA-N 2 1 237.351 0.776 20 0 BCADMP C[N@@H+](CCNC(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000669477866 487966804 /nfs/dbraw/zinc/96/68/04/487966804.db2.gz PWEWTMGWJOGQAU-UHFFFAOYSA-N 2 1 240.351 0.132 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000449578042 487967757 /nfs/dbraw/zinc/96/77/57/487967757.db2.gz YYLFKPNONLSDRA-JFGNBEQYSA-N 2 1 243.326 0.274 20 0 BCADMP CSC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000564845278 325815913 /nfs/dbraw/zinc/81/59/13/325815913.db2.gz VPDMHLAXMUTZIT-LBPRGKRZSA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000566201683 326011958 /nfs/dbraw/zinc/01/19/58/326011958.db2.gz UPZOBXYLSQHRCE-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000566201682 326012040 /nfs/dbraw/zinc/01/20/40/326012040.db2.gz UPZOBXYLSQHRCE-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245126 326021468 /nfs/dbraw/zinc/02/14/68/326021468.db2.gz DGSXYOYPMUGNKE-UTUOFQBUSA-N 2 1 237.347 0.196 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCNC1=O ZINC000566246070 326022524 /nfs/dbraw/zinc/02/25/24/326022524.db2.gz FNAXAZAZLBRHAU-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCNC1=O ZINC000566246070 326022528 /nfs/dbraw/zinc/02/25/28/326022528.db2.gz FNAXAZAZLBRHAU-UWVGGRQHSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000566296194 326030329 /nfs/dbraw/zinc/03/03/29/326030329.db2.gz WECZVTNXBORGAT-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000566351315 326035897 /nfs/dbraw/zinc/03/58/97/326035897.db2.gz TUTDEBUBODBALU-GFCCVEGCSA-N 2 1 242.363 0.459 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000566412407 326041173 /nfs/dbraw/zinc/04/11/73/326041173.db2.gz VVXJQGGKRWRZRQ-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000566491380 326057866 /nfs/dbraw/zinc/05/78/66/326057866.db2.gz SOCGYPOKWCGMNB-CHWSQXEVSA-N 2 1 245.326 0.430 20 0 BCADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2C1=O ZINC000566491380 326057868 /nfs/dbraw/zinc/05/78/68/326057868.db2.gz SOCGYPOKWCGMNB-CHWSQXEVSA-N 2 1 245.326 0.430 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000566678740 326072910 /nfs/dbraw/zinc/07/29/10/326072910.db2.gz JLLMYQMDIYQLSH-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566982797 326100066 /nfs/dbraw/zinc/10/00/66/326100066.db2.gz NGBCIMHVLHRGLE-GFCCVEGCSA-N 2 1 241.379 0.783 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000567043453 326105514 /nfs/dbraw/zinc/10/55/14/326105514.db2.gz XGHYVLRYUNHWMG-RAIGVLPGSA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000567043453 326105517 /nfs/dbraw/zinc/10/55/17/326105517.db2.gz XGHYVLRYUNHWMG-RAIGVLPGSA-N 2 1 242.363 0.335 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000567275529 326154447 /nfs/dbraw/zinc/15/44/47/326154447.db2.gz PCYMLEPBLIOMRM-UKKRHICBSA-N 2 1 237.347 0.465 20 0 BCADMP C[C@@]1([NH3+])CCCC[C@@H]1c1nc(C[NH3+])no1 ZINC000309755496 326162715 /nfs/dbraw/zinc/16/27/15/326162715.db2.gz HMHKOSFBDSIRRZ-GMSGAONNSA-N 2 1 210.281 0.903 20 0 BCADMP CC1(C)CN(C(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000567362779 326174633 /nfs/dbraw/zinc/17/46/33/326174633.db2.gz BPYUQCXEFNUSCM-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000310410434 326192105 /nfs/dbraw/zinc/19/21/05/326192105.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000310410434 326192107 /nfs/dbraw/zinc/19/21/07/326192107.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000310410434 326192108 /nfs/dbraw/zinc/19/21/08/326192108.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000310410434 326192110 /nfs/dbraw/zinc/19/21/10/326192110.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP COC(=O)C[C@@H]1CSCC[N@H+]1CCC[NH3+] ZINC000567451572 326194687 /nfs/dbraw/zinc/19/46/87/326194687.db2.gz MHQSEXMYOXLKAO-SECBINFHSA-N 2 1 232.349 0.316 20 0 BCADMP COC(=O)C[C@@H]1CSCC[N@@H+]1CCC[NH3+] ZINC000567451572 326194684 /nfs/dbraw/zinc/19/46/84/326194684.db2.gz MHQSEXMYOXLKAO-SECBINFHSA-N 2 1 232.349 0.316 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc[nH]n1 ZINC000567505303 326206608 /nfs/dbraw/zinc/20/66/08/326206608.db2.gz ULGGUHPVPOODIF-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000567505067 326206662 /nfs/dbraw/zinc/20/66/62/326206662.db2.gz LFXSQZYDIZCPQQ-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000567589363 326224189 /nfs/dbraw/zinc/22/41/89/326224189.db2.gz HTKCHEVDLARJID-NSHDSACASA-N 2 1 240.347 0.871 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000567589772 326224600 /nfs/dbraw/zinc/22/46/00/326224600.db2.gz DMVSEYBCDXZTHA-NEPJUHHUSA-N 2 1 248.330 0.292 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567822346 326263602 /nfs/dbraw/zinc/26/36/02/326263602.db2.gz NRLOOUXGFIIHGB-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP CC[NH+](CCO)CCC[N@@H+](CC)CCO ZINC000157562253 326283283 /nfs/dbraw/zinc/28/32/83/326283283.db2.gz CDIRDJYCASCJDM-UHFFFAOYSA-N 2 1 218.341 0.005 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000314020089 326289392 /nfs/dbraw/zinc/28/93/92/326289392.db2.gz SCQUFZMMFJNKOT-GFCCVEGCSA-N 2 1 225.336 0.959 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051669 326300253 /nfs/dbraw/zinc/30/02/53/326300253.db2.gz XGXPTXXUORWXAK-UMNHJUIQSA-N 2 1 212.337 0.545 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000568050858 326300675 /nfs/dbraw/zinc/30/06/75/326300675.db2.gz JTCFBRMOEVCEHP-RYUDHWBXSA-N 2 1 214.353 0.935 20 0 BCADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)CC(C)(C)O ZINC000568103842 326308582 /nfs/dbraw/zinc/30/85/82/326308582.db2.gz NKDKVEOPBYWYPP-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC(C)(C)O ZINC000568103842 326308584 /nfs/dbraw/zinc/30/85/84/326308584.db2.gz NKDKVEOPBYWYPP-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000568103842 326308586 /nfs/dbraw/zinc/30/85/86/326308586.db2.gz NKDKVEOPBYWYPP-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000568103842 326308587 /nfs/dbraw/zinc/30/85/87/326308587.db2.gz NKDKVEOPBYWYPP-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000568527292 326363236 /nfs/dbraw/zinc/36/32/36/326363236.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 1 200.326 0.639 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000568527292 326363239 /nfs/dbraw/zinc/36/32/39/326363239.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 1 200.326 0.639 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)CC ZINC000568527087 326363279 /nfs/dbraw/zinc/36/32/79/326363279.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)CC ZINC000568527087 326363280 /nfs/dbraw/zinc/36/32/80/326363280.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)CC ZINC000568527087 326363282 /nfs/dbraw/zinc/36/32/82/326363282.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000568621815 326368054 /nfs/dbraw/zinc/36/80/54/326368054.db2.gz LBSIISGNQQVREC-AAEUAGOBSA-N 2 1 242.363 0.624 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000568649581 326371169 /nfs/dbraw/zinc/37/11/69/326371169.db2.gz MTBVNMNMOSIMDO-NWDGAFQWSA-N 2 1 239.319 0.356 20 0 BCADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](CC)CC ZINC000568673713 326372210 /nfs/dbraw/zinc/37/22/10/326372210.db2.gz QBINOPLHMJNDKI-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](CC)CC ZINC000568673713 326372211 /nfs/dbraw/zinc/37/22/11/326372211.db2.gz QBINOPLHMJNDKI-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000568747940 326374192 /nfs/dbraw/zinc/37/41/92/326374192.db2.gz UUQIXSQNGMXOLW-YIZRAAEISA-N 2 1 247.289 0.050 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000572731458 326407835 /nfs/dbraw/zinc/40/78/35/326407835.db2.gz ZPWRIDHSOSJWEA-WEDXCCLWSA-N 2 1 249.305 0.473 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000235483632 487972317 /nfs/dbraw/zinc/97/23/17/487972317.db2.gz TWKJCGDIAOIBMA-UTLUCORTSA-N 2 1 213.325 0.180 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC000677191577 487995129 /nfs/dbraw/zinc/99/51/29/487995129.db2.gz IBZMBEYVLWPIEI-LLVKDONJSA-N 2 1 236.319 0.436 20 0 BCADMP CCN1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC000677191577 487995132 /nfs/dbraw/zinc/99/51/32/487995132.db2.gz IBZMBEYVLWPIEI-LLVKDONJSA-N 2 1 236.319 0.436 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396746123 488003072 /nfs/dbraw/zinc/00/30/72/488003072.db2.gz YTGLBORCILZGCI-CMPLNLGQSA-N 2 1 225.336 0.183 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000309646775 488009849 /nfs/dbraw/zinc/00/98/49/488009849.db2.gz QRYQIQLJVCXZHQ-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229962607 488015818 /nfs/dbraw/zinc/01/58/18/488015818.db2.gz OBQULLOPKWXDSV-YATPEIPISA-N 2 1 212.337 0.972 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147458120 488025319 /nfs/dbraw/zinc/02/53/19/488025319.db2.gz SWNXFIUPGOOLLO-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147458120 488025322 /nfs/dbraw/zinc/02/53/22/488025322.db2.gz SWNXFIUPGOOLLO-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000084168781 488031986 /nfs/dbraw/zinc/03/19/86/488031986.db2.gz OOYOKFBLZVCMOQ-SNVBAGLBSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000310499353 488034244 /nfs/dbraw/zinc/03/42/44/488034244.db2.gz HMXQXMLUZWTKMO-UPJWGTAASA-N 2 1 244.379 0.845 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493722 488043188 /nfs/dbraw/zinc/04/31/88/488043188.db2.gz IVXOUXZVYSQVGZ-ZDEQEGDKSA-N 3 1 223.364 0.703 20 0 BCADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000084383351 488049006 /nfs/dbraw/zinc/04/90/06/488049006.db2.gz GWHLMZISMNTVCC-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+]CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669490834 488052972 /nfs/dbraw/zinc/05/29/72/488052972.db2.gz AZUXYDYGWZMBBE-LLVKDONJSA-N 2 1 240.351 0.119 20 0 BCADMP C([C@@H]1CNCCO1)[N@H+]1CCC2(C1)CCOCC2 ZINC000310200879 488071139 /nfs/dbraw/zinc/07/11/39/488071139.db2.gz BOQDHPSVXFLNSE-LBPRGKRZSA-N 2 1 240.347 0.477 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000257654489 488077046 /nfs/dbraw/zinc/07/70/46/488077046.db2.gz CCCRWSHGWAYOHK-HTAVTVPLSA-N 2 1 239.363 0.857 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173067 488079596 /nfs/dbraw/zinc/07/95/96/488079596.db2.gz OJCZUOAPNMEMDM-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC)C1 ZINC000389195344 488080419 /nfs/dbraw/zinc/08/04/19/488080419.db2.gz WZSUXHSHJBFXHA-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000236712584 488082914 /nfs/dbraw/zinc/08/29/14/488082914.db2.gz VSCHXEKQMXHFNT-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000257726324 488084436 /nfs/dbraw/zinc/08/44/36/488084436.db2.gz VMGVIFVXOYRIDP-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP Cc1[nH+]cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712352 488097407 /nfs/dbraw/zinc/09/74/07/488097407.db2.gz DBGSRTUPBBUJOB-PHIMTYICSA-N 2 1 220.320 0.380 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310538629 488099733 /nfs/dbraw/zinc/09/97/33/488099733.db2.gz QAIAEYHTPNIEDW-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310538629 488099736 /nfs/dbraw/zinc/09/97/36/488099736.db2.gz QAIAEYHTPNIEDW-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP COC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310538629 488099743 /nfs/dbraw/zinc/09/97/43/488099743.db2.gz QAIAEYHTPNIEDW-STQMWFEESA-N 2 1 244.379 0.656 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)C1 ZINC000389568954 488102032 /nfs/dbraw/zinc/10/20/32/488102032.db2.gz AGSMDHWRIWUOCL-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634343 488103671 /nfs/dbraw/zinc/10/36/71/488103671.db2.gz IVSIBLWENSRBGX-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634338 488103758 /nfs/dbraw/zinc/10/37/58/488103758.db2.gz IVSIBLWENSRBGX-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660587 488104527 /nfs/dbraw/zinc/10/45/27/488104527.db2.gz RNXDTKDTDJMACM-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662446 488104334 /nfs/dbraw/zinc/10/43/34/488104334.db2.gz SDKKBSRBSCPWJT-AAEUAGOBSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683577 488105657 /nfs/dbraw/zinc/10/56/57/488105657.db2.gz YIXOTYYBXCSNGF-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](COC)C1CC1 ZINC000397261664 488109320 /nfs/dbraw/zinc/10/93/20/488109320.db2.gz KKYDSQWXFUBBMO-RYUDHWBXSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](COC)C1CC1 ZINC000397261664 488109327 /nfs/dbraw/zinc/10/93/27/488109327.db2.gz KKYDSQWXFUBBMO-RYUDHWBXSA-N 2 1 230.352 0.314 20 0 BCADMP O=C(CC[NH2+]C1CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726836 488111647 /nfs/dbraw/zinc/11/16/47/488111647.db2.gz XRWJXBFTPFXGTO-NSHDSACASA-N 2 1 237.347 0.481 20 0 BCADMP Cn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000389834944 488116557 /nfs/dbraw/zinc/11/65/57/488116557.db2.gz MZQHUQXWPKOTKY-WPRPVWTQSA-N 2 1 209.297 0.032 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000389891708 488122777 /nfs/dbraw/zinc/12/27/77/488122777.db2.gz OAPRNXBACKJOBY-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]12CCNC2=O ZINC000653716498 487539636 /nfs/dbraw/zinc/53/96/36/487539636.db2.gz HCJAQWCZOINFDZ-CYBMUJFWSA-N 2 1 248.330 0.546 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]12CCNC2=O ZINC000653716498 487539642 /nfs/dbraw/zinc/53/96/42/487539642.db2.gz HCJAQWCZOINFDZ-CYBMUJFWSA-N 2 1 248.330 0.546 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000674264492 487541888 /nfs/dbraw/zinc/54/18/88/487541888.db2.gz XDYOVHVWKUALPO-UWVGGRQHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288649 487549448 /nfs/dbraw/zinc/54/94/48/487549448.db2.gz GYZDJBLWVRFVIG-WOPDTQHZSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000674289248 487550616 /nfs/dbraw/zinc/55/06/16/487550616.db2.gz BKVJTNAQVXCZRS-JQWIXIFHSA-N 2 1 239.363 0.632 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653271772 487472062 /nfs/dbraw/zinc/47/20/62/487472062.db2.gz KKTSWQDBTGEOPS-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(C)[nH+]1 ZINC000405393717 487483023 /nfs/dbraw/zinc/48/30/23/487483023.db2.gz NHXSYISXTISLQN-NWDGAFQWSA-N 2 1 248.330 0.349 20 0 BCADMP Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(C)[nH+]1 ZINC000405393717 487483025 /nfs/dbraw/zinc/48/30/25/487483025.db2.gz NHXSYISXTISLQN-NWDGAFQWSA-N 2 1 248.330 0.349 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000086271217 487494765 /nfs/dbraw/zinc/49/47/65/487494765.db2.gz MSELVWXEVJKPTG-DCAQKATOSA-N 2 1 225.336 0.052 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381481374 487509662 /nfs/dbraw/zinc/50/96/62/487509662.db2.gz STNMGLHCGGRNRW-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381481374 487509665 /nfs/dbraw/zinc/50/96/65/487509665.db2.gz STNMGLHCGGRNRW-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094294218 487526350 /nfs/dbraw/zinc/52/63/50/487526350.db2.gz CURPBQCQVQSIEV-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420032 487575746 /nfs/dbraw/zinc/57/57/46/487575746.db2.gz HTDPBCRYAVTQOE-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420032 487575749 /nfs/dbraw/zinc/57/57/49/487575749.db2.gz HTDPBCRYAVTQOE-SECBINFHSA-N 2 1 201.314 0.182 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399259 487626349 /nfs/dbraw/zinc/62/63/49/487626349.db2.gz NYGGRWHONFJLEF-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775568 488157117 /nfs/dbraw/zinc/15/71/17/488157117.db2.gz FZHIHBBOYKWGGQ-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000404445380 488161174 /nfs/dbraw/zinc/16/11/74/488161174.db2.gz JOMKYWSBCVNHEJ-CMPLNLGQSA-N 2 1 237.351 0.905 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000390617965 488171087 /nfs/dbraw/zinc/17/10/87/488171087.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000390617965 488171090 /nfs/dbraw/zinc/17/10/90/488171090.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000390617965 488171093 /nfs/dbraw/zinc/17/10/93/488171093.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000390617965 488171095 /nfs/dbraw/zinc/17/10/95/488171095.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167516121 488174217 /nfs/dbraw/zinc/17/42/17/488174217.db2.gz XPYQBTPMGIMFMN-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000398242572 488215572 /nfs/dbraw/zinc/21/55/72/488215572.db2.gz ZZFWGNOSXANRCR-SECBINFHSA-N 2 1 223.320 0.221 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399176388 488228034 /nfs/dbraw/zinc/22/80/34/488228034.db2.gz BFAJPQSIWDXKKK-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000673877228 488310755 /nfs/dbraw/zinc/31/07/55/488310755.db2.gz ZCTNPVSIYBPZOH-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000383746278 490200263 /nfs/dbraw/zinc/20/02/63/490200263.db2.gz DBZXCYHPNQTPKK-YPMHNXCESA-N 2 1 234.347 0.646 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000383746278 490200269 /nfs/dbraw/zinc/20/02/69/490200269.db2.gz DBZXCYHPNQTPKK-YPMHNXCESA-N 2 1 234.347 0.646 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000383746277 490200571 /nfs/dbraw/zinc/20/05/71/490200571.db2.gz DBZXCYHPNQTPKK-WCQYABFASA-N 2 1 234.347 0.646 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000383746277 490200578 /nfs/dbraw/zinc/20/05/78/490200578.db2.gz DBZXCYHPNQTPKK-WCQYABFASA-N 2 1 234.347 0.646 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078712098 490220178 /nfs/dbraw/zinc/22/01/78/490220178.db2.gz BZWCGJHCAHWQJR-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300424660 490561518 /nfs/dbraw/zinc/56/15/18/490561518.db2.gz ZELUUIXCHOTXIG-YVECIDJPSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300424657 490561653 /nfs/dbraw/zinc/56/16/53/490561653.db2.gz ZELUUIXCHOTXIG-FDYHWXHSSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081000493 490669437 /nfs/dbraw/zinc/66/94/37/490669437.db2.gz JFNPHYZHGMDNNK-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP COCCCOCC[N@@H+](C)CCC[NH3+] ZINC000232212992 491123961 /nfs/dbraw/zinc/12/39/61/491123961.db2.gz CJVDKWBYNSKEHR-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000400386283 533877055 /nfs/dbraw/zinc/87/70/55/533877055.db2.gz LXCJVFZQFMASAX-QWRGUYRKSA-N 2 1 208.309 0.613 20 0 BCADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000400525539 533890477 /nfs/dbraw/zinc/89/04/77/533890477.db2.gz PYVHPKBOPBRCRQ-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000253284920 535994487 /nfs/dbraw/zinc/99/44/87/535994487.db2.gz NGZLZRVQBVTSHD-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892147832 582801123 /nfs/dbraw/zinc/80/11/23/582801123.db2.gz WZFXSJCQAAOHFF-UWVGGRQHSA-N 2 1 242.367 0.458 20 0 BCADMP CN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401001 536452894 /nfs/dbraw/zinc/45/28/94/536452894.db2.gz UJEOKYDJHWUZNT-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP CN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401001 536452896 /nfs/dbraw/zinc/45/28/96/536452896.db2.gz UJEOKYDJHWUZNT-DGCLKSJQSA-N 2 1 237.347 0.293 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192120250 536506662 /nfs/dbraw/zinc/50/66/62/536506662.db2.gz KSANWLZMZJMFJR-MNOVXSKESA-N 2 1 245.367 0.054 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400417378 527741753 /nfs/dbraw/zinc/74/17/53/527741753.db2.gz VOIABIILGZDGOS-GARJFASQSA-N 2 1 200.326 0.733 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250170117 536516904 /nfs/dbraw/zinc/51/69/04/536516904.db2.gz MGHHBVXEQZZEFE-STQMWFEESA-N 2 1 242.363 0.866 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000493888494 528500116 /nfs/dbraw/zinc/50/01/16/528500116.db2.gz NKFORGRJAUHWLJ-WDEREUQCSA-N 2 1 229.368 0.816 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000493888491 528500576 /nfs/dbraw/zinc/50/05/76/528500576.db2.gz NKFORGRJAUHWLJ-GHMZBOCLSA-N 2 1 229.368 0.816 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000493654557 528823827 /nfs/dbraw/zinc/82/38/27/528823827.db2.gz ZXZGCWQEHJCURC-ABZNLYFFSA-N 2 1 241.379 0.949 20 0 BCADMP CC[N@H+]1CCN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)C1 ZINC000492808030 529109010 /nfs/dbraw/zinc/10/90/10/529109010.db2.gz ZDAOFVYGRLKDEF-SYTKJHMZSA-N 2 1 239.363 0.657 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261858869 534981064 /nfs/dbraw/zinc/98/10/64/534981064.db2.gz SCLVOBCVOWHYPG-YPMHNXCESA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261858869 534981066 /nfs/dbraw/zinc/98/10/66/534981066.db2.gz SCLVOBCVOWHYPG-YPMHNXCESA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000261586705 534998738 /nfs/dbraw/zinc/99/87/38/534998738.db2.gz RJCLVJQSVYKLMN-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000262127003 535045168 /nfs/dbraw/zinc/04/51/68/535045168.db2.gz XUBMWNYRMDKBGU-GFCCVEGCSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000262127003 535045174 /nfs/dbraw/zinc/04/51/74/535045174.db2.gz XUBMWNYRMDKBGU-GFCCVEGCSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805690 535058387 /nfs/dbraw/zinc/05/83/87/535058387.db2.gz ZAMSGQAZDDQKKC-WOPDTQHZSA-N 2 1 239.363 0.713 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227125 535069378 /nfs/dbraw/zinc/06/93/78/535069378.db2.gz VHPJFKUYPFOHGJ-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227125 535069380 /nfs/dbraw/zinc/06/93/80/535069380.db2.gz VHPJFKUYPFOHGJ-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261869165 535135385 /nfs/dbraw/zinc/13/53/85/535135385.db2.gz QIEXGJJUAGSVNN-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000168722846 535139280 /nfs/dbraw/zinc/13/92/80/535139280.db2.gz CLLDMTVQIPSRJG-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261556709 535163819 /nfs/dbraw/zinc/16/38/19/535163819.db2.gz QVXQLNDCHOXNAA-YPMHNXCESA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261556709 535163825 /nfs/dbraw/zinc/16/38/25/535163825.db2.gz QVXQLNDCHOXNAA-YPMHNXCESA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335063930 535182604 /nfs/dbraw/zinc/18/26/04/535182604.db2.gz ZGOOIIKNJDIXAY-UHFFFAOYSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000178834608 535260447 /nfs/dbraw/zinc/26/04/47/535260447.db2.gz PANRKCKJPVFITN-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC[NH2+]CC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000220320458 535459373 /nfs/dbraw/zinc/45/93/73/535459373.db2.gz MWBSWDGPYWNCEJ-UHFFFAOYSA-N 2 1 237.351 0.637 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335402010 535475033 /nfs/dbraw/zinc/47/50/33/535475033.db2.gz WZNSVXWRGSLFQE-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000335390533 535495223 /nfs/dbraw/zinc/49/52/23/535495223.db2.gz PMNYNSJBEIBSLH-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC)CCC[N@H+](CCO)C[C@@H](C)O ZINC000351949038 535506975 /nfs/dbraw/zinc/50/69/75/535506975.db2.gz LDLJVBPXWYIATE-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](CCO)C[C@@H](C)O ZINC000351949038 535506979 /nfs/dbraw/zinc/50/69/79/535506979.db2.gz LDLJVBPXWYIATE-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000084381607 535618576 /nfs/dbraw/zinc/61/85/76/535618576.db2.gz GANFJMQJQBQTAK-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000261546682 535640668 /nfs/dbraw/zinc/64/06/68/535640668.db2.gz LFLDXJXLCKOCOL-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP CCOC(=O)CC[N@@H+](C)CCC[NH2+]C ZINC000087472022 535643144 /nfs/dbraw/zinc/64/31/44/535643144.db2.gz VYQNGRQYXYFZOB-UHFFFAOYSA-N 2 1 202.298 0.481 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336212431 535758712 /nfs/dbraw/zinc/75/87/12/535758712.db2.gz WKJIWUXAGTVOTF-NEPJUHHUSA-N 2 1 245.342 0.664 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000269682257 535952917 /nfs/dbraw/zinc/95/29/17/535952917.db2.gz SVHDKPNANVMOBR-ONGXEEELSA-N 2 1 238.335 0.681 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000261569156 536150832 /nfs/dbraw/zinc/15/08/32/536150832.db2.gz GFDYYSYAMMNMKT-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000348220398 536344567 /nfs/dbraw/zinc/34/45/67/536344567.db2.gz DWUOEDZOZNDWCR-ZDUSSCGKSA-N 2 1 249.358 0.841 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657947 536372852 /nfs/dbraw/zinc/37/28/52/536372852.db2.gz SKMCYAZBDLNUEX-GHMZBOCLSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000167532482 536376940 /nfs/dbraw/zinc/37/69/40/536376940.db2.gz AOQZKPSHHJVBRD-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(O)C1 ZINC000179253060 536389723 /nfs/dbraw/zinc/38/97/23/536389723.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000179253060 536389724 /nfs/dbraw/zinc/38/97/24/536389724.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](C)(O)C1 ZINC000179253060 536389726 /nfs/dbraw/zinc/38/97/26/536389726.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534534 536391163 /nfs/dbraw/zinc/39/11/63/536391163.db2.gz RVQQMYVYWKRONE-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC000178993061 582958400 /nfs/dbraw/zinc/95/84/00/582958400.db2.gz DNMXSXBOBSLDLX-MNOVXSKESA-N 2 1 241.379 0.831 20 0 BCADMP [NH3+]CCc1ccc(CNC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853245701 588728425 /nfs/dbraw/zinc/72/84/25/588728425.db2.gz BRCJQAIVUWHSLB-HUUCEWRRSA-N 2 1 245.370 0.887 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112801275 588817320 /nfs/dbraw/zinc/81/73/20/588817320.db2.gz RSNXHFVXUAIZOL-GHMZBOCLSA-N 2 1 240.351 0.372 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)NCCC[NH3+])CC[C@H]21 ZINC000891985790 582753986 /nfs/dbraw/zinc/75/39/86/582753986.db2.gz KBVLVSZMSZCTDT-WDEREUQCSA-N 2 1 240.351 0.071 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000892104631 582792693 /nfs/dbraw/zinc/79/26/93/582792693.db2.gz YSDXIZJCXPCNTC-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP Cn1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C1CC1 ZINC000892253141 582813861 /nfs/dbraw/zinc/81/38/61/582813861.db2.gz WDDQRCZHZZUPIC-VXGBXAGGSA-N 2 1 246.358 0.949 20 0 BCADMP CCNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000848987472 582818226 /nfs/dbraw/zinc/81/82/26/582818226.db2.gz AAANMCQFSRCXMH-SNVBAGLBSA-N 2 1 212.341 0.995 20 0 BCADMP Cc1ccnc(N)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000894097160 583301735 /nfs/dbraw/zinc/30/17/35/583301735.db2.gz DBBJVQLKPQXVKJ-GHMZBOCLSA-N 2 1 232.331 0.623 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC000877250380 583304840 /nfs/dbraw/zinc/30/48/40/583304840.db2.gz PNHQDZOKQAUEJF-FIQHERPVSA-N 2 1 237.347 0.276 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857230551 588897199 /nfs/dbraw/zinc/89/71/99/588897199.db2.gz JMCLXPLUXOPGHD-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668011426 583445616 /nfs/dbraw/zinc/44/56/16/583445616.db2.gz APYBLEXNEXEVNA-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000894737680 583514836 /nfs/dbraw/zinc/51/48/36/583514836.db2.gz CSXUYQXKBBGORZ-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H](O)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000894946646 583557322 /nfs/dbraw/zinc/55/73/22/583557322.db2.gz VAIGZMRCOUPFTQ-DGCLKSJQSA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000895154274 583607200 /nfs/dbraw/zinc/60/72/00/583607200.db2.gz WEHYUDIIYHJWMW-CHWSQXEVSA-N 2 1 242.363 0.410 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCn3cncc32)C1 ZINC000857978741 588925600 /nfs/dbraw/zinc/92/56/00/588925600.db2.gz JQLXKKHDRLSIGY-VHSXEESVSA-N 2 1 234.303 0.396 20 0 BCADMP c1ncc2c(n1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000883462560 583824698 /nfs/dbraw/zinc/82/46/98/583824698.db2.gz UFKXVERSYYSRFB-NSHDSACASA-N 2 1 232.331 0.834 20 0 BCADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897297552 583911336 /nfs/dbraw/zinc/91/13/36/583911336.db2.gz JAQPXBKHQBURAP-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897297552 583911337 /nfs/dbraw/zinc/91/13/37/583911337.db2.gz JAQPXBKHQBURAP-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897297552 583911339 /nfs/dbraw/zinc/91/13/39/583911339.db2.gz JAQPXBKHQBURAP-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897297552 583911340 /nfs/dbraw/zinc/91/13/40/583911340.db2.gz JAQPXBKHQBURAP-TUAOUCFPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H](CO)[NH+](C)CCCCC[N@H+](C)[C@H](C)CO ZINC000342098124 583981274 /nfs/dbraw/zinc/98/12/74/583981274.db2.gz XZYIOYBJFKXKCP-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCC[NH+](C)C ZINC000897491323 583995875 /nfs/dbraw/zinc/99/58/75/583995875.db2.gz UNCCPPQAIIHRJB-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC[NH+](C)C ZINC000897491322 583995909 /nfs/dbraw/zinc/99/59/09/583995909.db2.gz UNCCPPQAIIHRJB-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000148718526 584035160 /nfs/dbraw/zinc/03/51/60/584035160.db2.gz DOXZZRLZCFLIIS-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP Cn1cnc(CCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000897952598 584063508 /nfs/dbraw/zinc/06/35/08/584063508.db2.gz KARJMULFUUBXMO-NSHDSACASA-N 2 1 236.319 0.173 20 0 BCADMP Nc1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000873213353 584127428 /nfs/dbraw/zinc/12/74/28/584127428.db2.gz WFDAYWADWKESPM-RKDXNWHRSA-N 2 1 221.308 0.418 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232238 584127782 /nfs/dbraw/zinc/12/77/82/584127782.db2.gz NPOMWAWMNPHZDG-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC000900695479 584339090 /nfs/dbraw/zinc/33/90/90/584339090.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 1 222.292 0.163 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC000900695479 584339091 /nfs/dbraw/zinc/33/90/91/584339091.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 1 222.292 0.163 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC000900695479 584339092 /nfs/dbraw/zinc/33/90/92/584339092.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 1 222.292 0.163 20 0 BCADMP C[C@H]1CN(C(=O)CNc2ccccn2)CC[N@@H+]1C ZINC000900849028 584357429 /nfs/dbraw/zinc/35/74/29/584357429.db2.gz WCSTWFZMCKOOTI-NSHDSACASA-N 2 1 248.330 0.656 20 0 BCADMP C[C@H]1CN(C(=O)CNc2ccccn2)CC[N@H+]1C ZINC000900849028 584357430 /nfs/dbraw/zinc/35/74/30/584357430.db2.gz WCSTWFZMCKOOTI-NSHDSACASA-N 2 1 248.330 0.656 20 0 BCADMP C[NH+](C)CC1CC[NH+](CN2CCOC2=O)CC1 ZINC000902138283 584526222 /nfs/dbraw/zinc/52/62/22/584526222.db2.gz HYFJWESFTHGHSM-UHFFFAOYSA-N 2 1 241.335 0.670 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393239 584583786 /nfs/dbraw/zinc/58/37/86/584583786.db2.gz NXECPNPGETYBMF-QWRGUYRKSA-N 3 1 213.369 0.949 20 0 BCADMP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000902415580 584589829 /nfs/dbraw/zinc/58/98/29/584589829.db2.gz JILNTKMGHPVPGA-NXEZZACHSA-N 2 1 209.337 0.693 20 0 BCADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000902442024 584597638 /nfs/dbraw/zinc/59/76/38/584597638.db2.gz GVPUDFXVLYEJQT-NSHDSACASA-N 2 1 225.336 0.195 20 0 BCADMP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000902455102 584609205 /nfs/dbraw/zinc/60/92/05/584609205.db2.gz ITVDMZQUIVDYEY-MNOVXSKESA-N 2 1 238.335 0.788 20 0 BCADMP Cn1cnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000902459050 584610802 /nfs/dbraw/zinc/61/08/02/584610802.db2.gz ATFTZYZAYKTBDV-ONGXEEELSA-N 2 1 208.309 0.637 20 0 BCADMP C[C@H](CCCC[NH3+])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462675 584612072 /nfs/dbraw/zinc/61/20/72/584612072.db2.gz XIHSDMYJGSSYQQ-WRWGMCAJSA-N 2 1 211.353 0.986 20 0 BCADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902462675 584612075 /nfs/dbraw/zinc/61/20/75/584612075.db2.gz XIHSDMYJGSSYQQ-WRWGMCAJSA-N 2 1 211.353 0.986 20 0 BCADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462633 584612207 /nfs/dbraw/zinc/61/22/07/584612207.db2.gz WLEXWXLZWBQQLX-IRCOFANPSA-N 3 1 227.352 0.223 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472123 584617561 /nfs/dbraw/zinc/61/75/61/584617561.db2.gz XHICOQLMJSCDQC-HGCLJGPKSA-N 2 1 209.337 0.419 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472126 584617564 /nfs/dbraw/zinc/61/75/64/584617564.db2.gz XHICOQLMJSCDQC-ROHXPCBUSA-N 2 1 209.337 0.419 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902501412 584620409 /nfs/dbraw/zinc/62/04/09/584620409.db2.gz AYWCSDYLIXIEDA-YUSALJHKSA-N 2 1 212.337 0.735 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435468 584762012 /nfs/dbraw/zinc/76/20/12/584762012.db2.gz VGEOYRWXEKEECS-GRYCIOLGSA-N 2 1 239.363 0.570 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903440392 584762988 /nfs/dbraw/zinc/76/29/88/584762988.db2.gz WKUYOSKTZUOKMY-SDDRHHMPSA-N 2 1 239.363 0.701 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCSC[C@@H]2CCO)C1 ZINC000903441445 584763903 /nfs/dbraw/zinc/76/39/03/584763903.db2.gz SGEXRTNSCPFDMA-TUAOUCFPSA-N 2 1 244.404 0.914 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(C(N)=O)CCCC1 ZINC000903457583 584765345 /nfs/dbraw/zinc/76/53/45/584765345.db2.gz XKXRDEGXUCCEHD-MNOVXSKESA-N 2 1 239.363 0.844 20 0 BCADMP CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000903458715 584765465 /nfs/dbraw/zinc/76/54/65/584765465.db2.gz HYGQAKZGPGJUKF-MXWKQRLJSA-N 2 1 241.335 0.065 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000903458715 584765466 /nfs/dbraw/zinc/76/54/66/584765466.db2.gz HYGQAKZGPGJUKF-MXWKQRLJSA-N 2 1 241.335 0.065 20 0 BCADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOC1CC1)C2 ZINC000903464205 584767479 /nfs/dbraw/zinc/76/74/79/584767479.db2.gz DFGKYCSDNMUSIQ-CMPLNLGQSA-N 2 1 210.321 0.979 20 0 BCADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOC1CC1)C2 ZINC000903464205 584767481 /nfs/dbraw/zinc/76/74/81/584767481.db2.gz DFGKYCSDNMUSIQ-CMPLNLGQSA-N 2 1 210.321 0.979 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447400 584770463 /nfs/dbraw/zinc/77/04/63/584770463.db2.gz QVDWSIQQDRUALE-RHYQMDGZSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447400 584770465 /nfs/dbraw/zinc/77/04/65/584770465.db2.gz QVDWSIQQDRUALE-RHYQMDGZSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903451698 584772301 /nfs/dbraw/zinc/77/23/01/584772301.db2.gz CLYHLUPXZUFDPX-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903451698 584772302 /nfs/dbraw/zinc/77/23/02/584772302.db2.gz CLYHLUPXZUFDPX-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454934 584773299 /nfs/dbraw/zinc/77/32/99/584773299.db2.gz OBMSDAYRMKKLGI-VWYCJHECSA-N 2 1 228.336 0.583 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000903454965 584773748 /nfs/dbraw/zinc/77/37/48/584773748.db2.gz PENLFWDRQSWVII-WXHSDQCUSA-N 2 1 224.348 0.953 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000903454965 584773750 /nfs/dbraw/zinc/77/37/50/584773750.db2.gz PENLFWDRQSWVII-WXHSDQCUSA-N 2 1 224.348 0.953 20 0 BCADMP C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476031 584776622 /nfs/dbraw/zinc/77/66/22/584776622.db2.gz LDIHAMOUOWONOA-ZJUUUORDSA-N 2 1 208.309 0.969 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474905 584776714 /nfs/dbraw/zinc/77/67/14/584776714.db2.gz UCXSKIONPAEPGL-NEPJUHHUSA-N 3 1 229.368 0.282 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903474037 584776814 /nfs/dbraw/zinc/77/68/14/584776814.db2.gz GBFFKAWSJRCAHZ-NEPJUHHUSA-N 3 1 229.368 0.010 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903474037 584776816 /nfs/dbraw/zinc/77/68/16/584776816.db2.gz GBFFKAWSJRCAHZ-NEPJUHHUSA-N 2 1 229.368 0.010 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481807 584777903 /nfs/dbraw/zinc/77/79/03/584777903.db2.gz NKMGCWZDCUAFJH-MROQNXINSA-N 2 1 242.363 0.578 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903494313 584780956 /nfs/dbraw/zinc/78/09/56/584780956.db2.gz BSACYPOLHLXMEU-DGCLKSJQSA-N 3 1 225.380 0.903 20 0 BCADMP Cc1nc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)no1 ZINC000903491056 584781063 /nfs/dbraw/zinc/78/10/63/584781063.db2.gz SZIKUKRUGHMZDG-QWRGUYRKSA-N 2 1 236.319 0.777 20 0 BCADMP Cc1nc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)no1 ZINC000903491056 584781065 /nfs/dbraw/zinc/78/10/65/584781065.db2.gz SZIKUKRUGHMZDG-QWRGUYRKSA-N 2 1 236.319 0.777 20 0 BCADMP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508608 584781094 /nfs/dbraw/zinc/78/10/94/584781094.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 2 1 223.364 0.907 20 0 BCADMP CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508608 584781096 /nfs/dbraw/zinc/78/10/96/584781096.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 2 1 223.364 0.907 20 0 BCADMP CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508608 584781097 /nfs/dbraw/zinc/78/10/97/584781097.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCc1cnn(C)c1 ZINC000629569863 584781807 /nfs/dbraw/zinc/78/18/07/584781807.db2.gz GIMROXQJABDFAO-UHFFFAOYSA-N 2 1 240.351 0.130 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560024 584782218 /nfs/dbraw/zinc/78/22/18/584782218.db2.gz QTSIJILFFMMFGM-NSHDSACASA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558122 584783109 /nfs/dbraw/zinc/78/31/09/584783109.db2.gz VPHJNJHPSBBCFX-NEPJUHHUSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@H+](CCC[NH3+])Cc1cnn(CCF)c1 ZINC000903716985 584792298 /nfs/dbraw/zinc/79/22/98/584792298.db2.gz FVCJHADCJFOWNF-UHFFFAOYSA-N 2 1 214.288 0.633 20 0 BCADMP C[N@@H+](CCC[NH3+])Cc1cnn(CCF)c1 ZINC000903716985 584792299 /nfs/dbraw/zinc/79/22/99/584792299.db2.gz FVCJHADCJFOWNF-UHFFFAOYSA-N 2 1 214.288 0.633 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718376 584792356 /nfs/dbraw/zinc/79/23/56/584792356.db2.gz LNYJIKSPHIFDFG-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718376 584792357 /nfs/dbraw/zinc/79/23/57/584792357.db2.gz LNYJIKSPHIFDFG-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP CC[N@@H+](CCCO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732594 584792899 /nfs/dbraw/zinc/79/28/99/584792899.db2.gz GRQJPWQFXKPTSR-CHWSQXEVSA-N 2 1 242.363 0.459 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731791 584793143 /nfs/dbraw/zinc/79/31/43/584793143.db2.gz CRXQWCKDSUGDSR-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715797 584794275 /nfs/dbraw/zinc/79/42/75/584794275.db2.gz ADUBNXSEPSDBBN-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715797 584794276 /nfs/dbraw/zinc/79/42/76/584794276.db2.gz ADUBNXSEPSDBBN-CHWSQXEVSA-N 3 1 225.380 0.917 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH2+]C ZINC000903761547 584797238 /nfs/dbraw/zinc/79/72/38/584797238.db2.gz VXFWOSLYEPROSK-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903766933 584797406 /nfs/dbraw/zinc/79/74/06/584797406.db2.gz DEZJXJLAEXQWSZ-WRWGMCAJSA-N 2 1 240.347 0.997 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806638 584802543 /nfs/dbraw/zinc/80/25/43/584802543.db2.gz ZAVWZBCUMHRRKV-QJPTWQEYSA-N 2 1 244.404 0.914 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806638 584802545 /nfs/dbraw/zinc/80/25/45/584802545.db2.gz ZAVWZBCUMHRRKV-QJPTWQEYSA-N 2 1 244.404 0.914 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCOCC1 ZINC000903809681 584803722 /nfs/dbraw/zinc/80/37/22/584803722.db2.gz ISPRDBYLNXDDSH-LBPRGKRZSA-N 2 1 241.379 0.426 20 0 BCADMP CN(CC[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCOCC1 ZINC000903809681 584803723 /nfs/dbraw/zinc/80/37/23/584803723.db2.gz ISPRDBYLNXDDSH-LBPRGKRZSA-N 2 1 241.379 0.426 20 0 BCADMP CC[N@@H+](CCCCCC[NH3+])CCC(=O)NC ZINC000903825599 584804568 /nfs/dbraw/zinc/80/45/68/584804568.db2.gz AOYMGMDAPBGFFY-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[C@H]1CSCCC[N@H+]1CCOCC[NH3+] ZINC000903830079 584805326 /nfs/dbraw/zinc/80/53/26/584805326.db2.gz SBSHXBONWSRVRL-JTQLQIEISA-N 2 1 218.366 0.789 20 0 BCADMP C(C[N@H+]1CCO[C@@H]2COCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000903829224 584805343 /nfs/dbraw/zinc/80/53/43/584805343.db2.gz CHSGVKFDVGKHSW-RWMBFGLXSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1CCOCC[NH3+] ZINC000903831925 584806230 /nfs/dbraw/zinc/80/62/30/584806230.db2.gz OHTYAQGZGBSDPE-SNVBAGLBSA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833816 584806238 /nfs/dbraw/zinc/80/62/38/584806238.db2.gz YEGFTCLQPRYJIA-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cn[nH]c1)C2 ZINC000903838234 584806870 /nfs/dbraw/zinc/80/68/70/584806870.db2.gz ABWBMJOBXXTNQP-SRVKXCTJSA-N 2 1 220.320 0.764 20 0 BCADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1F ZINC000903841054 584807075 /nfs/dbraw/zinc/80/70/75/584807075.db2.gz WIAJZQSAIGREJS-SDDRHHMPSA-N 2 1 230.327 0.781 20 0 BCADMP O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903840191 584807204 /nfs/dbraw/zinc/80/72/04/584807204.db2.gz PETMQDWUKVESAG-NWDGAFQWSA-N 2 1 230.327 0.781 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903843332 584807484 /nfs/dbraw/zinc/80/74/84/584807484.db2.gz IVKVHMLOWMOWIS-BJDJZHNGSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CC[NH2+]C1)C2 ZINC000903843332 584807485 /nfs/dbraw/zinc/80/74/85/584807485.db2.gz IVKVHMLOWMOWIS-BJDJZHNGSA-N 2 1 209.337 0.408 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCOC1 ZINC000903854777 584809577 /nfs/dbraw/zinc/80/95/77/584809577.db2.gz KJBNWDXVUOHVLI-GRYCIOLGSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCOC1 ZINC000903854777 584809578 /nfs/dbraw/zinc/80/95/78/584809578.db2.gz KJBNWDXVUOHVLI-GRYCIOLGSA-N 2 1 210.321 0.836 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858203 584810052 /nfs/dbraw/zinc/81/00/52/584810052.db2.gz HOJAKGAPOIEUQJ-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858203 584810054 /nfs/dbraw/zinc/81/00/54/584810054.db2.gz HOJAKGAPOIEUQJ-UTUOFQBUSA-N 2 1 228.336 0.197 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858939 584810746 /nfs/dbraw/zinc/81/07/46/584810746.db2.gz KINLJNNOEFMUST-WCQYABFASA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858939 584810747 /nfs/dbraw/zinc/81/07/47/584810747.db2.gz KINLJNNOEFMUST-WCQYABFASA-N 2 1 234.347 0.776 20 0 BCADMP OC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889063 584813649 /nfs/dbraw/zinc/81/36/49/584813649.db2.gz NUTOEOKICLIISA-ODWCKFRGSA-N 2 1 224.348 0.831 20 0 BCADMP CC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903872858 584815381 /nfs/dbraw/zinc/81/53/81/584815381.db2.gz KHQIOKVPWNPUIK-YOGCLGLASA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](CN)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874224 584815946 /nfs/dbraw/zinc/81/59/46/584815946.db2.gz VNQQSZAKYCPLDG-YEJSDXFRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H](C[NH3+])N(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874224 584815947 /nfs/dbraw/zinc/81/59/47/584815947.db2.gz VNQQSZAKYCPLDG-YEJSDXFRSA-N 2 1 211.353 0.796 20 0 BCADMP C[NH2+]CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873454 584816165 /nfs/dbraw/zinc/81/61/65/584816165.db2.gz HQOXVYSQFINONS-YOGCLGLASA-N 3 1 211.353 0.668 20 0 BCADMP C[NH2+]CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873454 584816167 /nfs/dbraw/zinc/81/61/67/584816167.db2.gz HQOXVYSQFINONS-YOGCLGLASA-N 3 1 211.353 0.668 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903881468 584817703 /nfs/dbraw/zinc/81/77/03/584817703.db2.gz FMTDVUAACPTCLF-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903881468 584817704 /nfs/dbraw/zinc/81/77/04/584817704.db2.gz FMTDVUAACPTCLF-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903883466 584818299 /nfs/dbraw/zinc/81/82/99/584818299.db2.gz WTABLLIPTAUXFG-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903883466 584818301 /nfs/dbraw/zinc/81/83/01/584818301.db2.gz WTABLLIPTAUXFG-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC(O)C1 ZINC000903914015 584822528 /nfs/dbraw/zinc/82/25/28/584822528.db2.gz SJFJMUUTZNSWKS-FMNWTUGISA-N 2 1 224.348 0.972 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]21 ZINC000903937405 584826199 /nfs/dbraw/zinc/82/61/99/584826199.db2.gz KEVAYWSPTZQGPA-OUAUKWLOSA-N 2 1 247.333 0.995 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000903979209 584833549 /nfs/dbraw/zinc/83/35/49/584833549.db2.gz YPWFMLHQAPUHDW-LPWJVIDDSA-N 3 1 225.380 0.820 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903967412 584834896 /nfs/dbraw/zinc/83/48/96/584834896.db2.gz JFPDFBQBKUQCOM-WRWGMCAJSA-N 3 1 209.337 0.041 20 0 BCADMP COC(=O)C[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1C ZINC000903987168 584836001 /nfs/dbraw/zinc/83/60/01/584836001.db2.gz YAEMETRCVFNHOY-NXEZZACHSA-N 2 1 214.309 0.466 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315877 584860033 /nfs/dbraw/zinc/86/00/33/584860033.db2.gz GAUVBINWOMSRLY-NWDGAFQWSA-N 2 1 212.337 0.690 20 0 BCADMP C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299666 584860570 /nfs/dbraw/zinc/86/05/70/584860570.db2.gz LJRRUPYBYRQIKY-NNYUYHANSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299666 584860571 /nfs/dbraw/zinc/86/05/71/584860571.db2.gz LJRRUPYBYRQIKY-NNYUYHANSA-N 2 1 211.353 0.925 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904300143 584861430 /nfs/dbraw/zinc/86/14/30/584861430.db2.gz XEMIQNMORNXVQA-VHSXEESVSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904300143 584861431 /nfs/dbraw/zinc/86/14/31/584861431.db2.gz XEMIQNMORNXVQA-VHSXEESVSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000904301606 584861448 /nfs/dbraw/zinc/86/14/48/584861448.db2.gz JSGZIJNRGWAOGW-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000904302713 584861772 /nfs/dbraw/zinc/86/17/72/584861772.db2.gz YBZGHARSHFKOBV-DLOVCJGASA-N 2 1 247.346 0.618 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302060 584862228 /nfs/dbraw/zinc/86/22/28/584862228.db2.gz UNQOULOQJNUJCH-NNYUYHANSA-N 2 1 211.353 0.783 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000904302857 584862275 /nfs/dbraw/zinc/86/22/75/584862275.db2.gz ZWPFWGAYIRZVST-IEECTRCBSA-N 3 1 223.364 0.783 20 0 BCADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)CS(C)(=O)=O ZINC000904321318 584863819 /nfs/dbraw/zinc/86/38/19/584863819.db2.gz WKXLAZVJZDWMLV-GARJFASQSA-N 2 1 248.392 0.479 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000904318725 584863945 /nfs/dbraw/zinc/86/39/45/584863945.db2.gz UPGNSKQLHWBGFG-GRYCIOLGSA-N 2 1 228.336 0.197 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000904316641 584864017 /nfs/dbraw/zinc/86/40/17/584864017.db2.gz RNHVLNHEROQOLC-NTZNESFSSA-N 2 1 223.364 0.892 20 0 BCADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321887 584864673 /nfs/dbraw/zinc/86/46/73/584864673.db2.gz JLXMDOIDTUZECE-YFKTTZPYSA-N 2 1 212.337 0.959 20 0 BCADMP CC(=O)N1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322309 584864823 /nfs/dbraw/zinc/86/48/23/584864823.db2.gz WCOAMFPDMSDXKY-JLLWLGSASA-N 2 1 225.336 0.276 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000904328436 584865206 /nfs/dbraw/zinc/86/52/06/584865206.db2.gz OPDJIASKRCDTBN-XQHKEYJVSA-N 2 1 240.347 0.604 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000904326917 584865285 /nfs/dbraw/zinc/86/52/85/584865285.db2.gz SYYXTYUCMHYNBU-WRWGMCAJSA-N 2 1 242.388 0.930 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327015 584865296 /nfs/dbraw/zinc/86/52/96/584865296.db2.gz XAFSXECOFIQRFC-AAEUAGOBSA-N 2 1 241.379 0.690 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2c2cccnc2)C1 ZINC000904334009 584866544 /nfs/dbraw/zinc/86/65/44/584866544.db2.gz JEAQXFBBZQRKDU-KWCYVHTRSA-N 2 1 246.358 0.765 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2cccnc2)C1 ZINC000904334009 584866545 /nfs/dbraw/zinc/86/65/45/584866545.db2.gz JEAQXFBBZQRKDU-KWCYVHTRSA-N 2 1 246.358 0.765 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342591 584867179 /nfs/dbraw/zinc/86/71/79/584867179.db2.gz LDSPHIDHEZXNSK-RWMBFGLXSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@@H+](CCCCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341127 584867362 /nfs/dbraw/zinc/86/73/62/584867362.db2.gz IQOSYEYEBIWKSA-PHIMTYICSA-N 2 1 200.326 0.818 20 0 BCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347950 584868250 /nfs/dbraw/zinc/86/82/50/584868250.db2.gz LBGOBSJRFYWESM-SVNGYHJRSA-N 2 1 237.347 0.310 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000904347513 584868591 /nfs/dbraw/zinc/86/85/91/584868591.db2.gz HZFPXMPZLLBRTM-JGZJWPJOSA-N 2 1 233.315 0.883 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000904348988 584868819 /nfs/dbraw/zinc/86/88/19/584868819.db2.gz ZAENWBXPOGCCBU-MMWGEVLESA-N 2 1 226.320 0.607 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349848 584868937 /nfs/dbraw/zinc/86/89/37/584868937.db2.gz DEAFGCMIFNWSJE-WYUUTHIRSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349848 584868938 /nfs/dbraw/zinc/86/89/38/584868938.db2.gz DEAFGCMIFNWSJE-WYUUTHIRSA-N 2 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349849 584869002 /nfs/dbraw/zinc/86/90/02/584869002.db2.gz DEAFGCMIFNWSJE-YFKTTZPYSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349849 584869003 /nfs/dbraw/zinc/86/90/03/584869003.db2.gz DEAFGCMIFNWSJE-YFKTTZPYSA-N 2 1 209.337 0.408 20 0 BCADMP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904350818 584869270 /nfs/dbraw/zinc/86/92/70/584869270.db2.gz PVNQNNCYRWQJAL-GFCCVEGCSA-N 3 1 211.353 0.718 20 0 BCADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000904354284 584870341 /nfs/dbraw/zinc/87/03/41/584870341.db2.gz DKXHFJOEMKNENF-VHSXEESVSA-N 3 1 207.321 0.971 20 0 BCADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354468 584870467 /nfs/dbraw/zinc/87/04/67/584870467.db2.gz ZEPIEWZPRLFGNG-ZDUSSCGKSA-N 3 1 242.411 0.373 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000904354347 584870502 /nfs/dbraw/zinc/87/05/02/584870502.db2.gz GBPQTZDIVQXDJA-STQMWFEESA-N 2 1 237.322 0.935 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](CF)C2)C1 ZINC000904371299 584873210 /nfs/dbraw/zinc/87/32/10/584873210.db2.gz LYVRNWJKXDLUNP-AEJSXWLSSA-N 2 1 202.273 0.394 20 0 BCADMP C[C@@]1(C[NH2+]Cc2ccc(N)nn2)CCC[NH2+]C1 ZINC000904354736 584870874 /nfs/dbraw/zinc/87/08/74/584870874.db2.gz DNSGTRCHOQJWPJ-GFCCVEGCSA-N 2 1 235.335 0.538 20 0 BCADMP Nc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000904356696 584871491 /nfs/dbraw/zinc/87/14/91/584871491.db2.gz XYGMJUOUMXBDAV-IUCAKERBSA-N 2 1 221.308 0.418 20 0 BCADMP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904372338 584873738 /nfs/dbraw/zinc/87/37/38/584873738.db2.gz BKSSEPNCTAGBOZ-LOWVWBTDSA-N 2 1 240.347 0.999 20 0 BCADMP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1csnn1 ZINC000904373114 584873931 /nfs/dbraw/zinc/87/39/31/584873931.db2.gz LDVUVFRDVLJLIO-JECWYVHBSA-N 2 1 212.322 0.926 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904374697 584874002 /nfs/dbraw/zinc/87/40/02/584874002.db2.gz UZFPIELMPVRPDE-JGVFFNPUSA-N 2 1 209.297 0.274 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904388351 584874698 /nfs/dbraw/zinc/87/46/98/584874698.db2.gz HTNLNIYIWZQVPI-GFCCVEGCSA-N 2 1 227.352 0.573 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904388685 584874760 /nfs/dbraw/zinc/87/47/60/584874760.db2.gz NDAZZODVDPOBDA-FRRDWIJNSA-N 3 1 225.380 0.821 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000904389857 584875426 /nfs/dbraw/zinc/87/54/26/584875426.db2.gz WQCQTBAEZWOHLG-GFCCVEGCSA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904389941 584875619 /nfs/dbraw/zinc/87/56/19/584875619.db2.gz YWVWIBJLIZJTIX-MXWKQRLJSA-N 2 1 226.320 0.609 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904380911 584876734 /nfs/dbraw/zinc/87/67/34/584876734.db2.gz PURHTEMACQRENZ-ZDUSSCGKSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904380911 584876735 /nfs/dbraw/zinc/87/67/35/584876735.db2.gz PURHTEMACQRENZ-ZDUSSCGKSA-N 2 1 243.395 0.544 20 0 BCADMP N[C@@H]1CCCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380495 584876938 /nfs/dbraw/zinc/87/69/38/584876938.db2.gz CWXIGFJZCPHFES-UTUOFQBUSA-N 2 1 211.353 0.927 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CCCCC[C@@H]([NH3+])C2)C1 ZINC000904380495 584876940 /nfs/dbraw/zinc/87/69/40/584876940.db2.gz CWXIGFJZCPHFES-UTUOFQBUSA-N 2 1 211.353 0.927 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877467 /nfs/dbraw/zinc/87/74/67/584877467.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 2 1 223.364 0.750 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877468 /nfs/dbraw/zinc/87/74/68/584877468.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877469 /nfs/dbraw/zinc/87/74/69/584877469.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877470 /nfs/dbraw/zinc/87/74/70/584877470.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 3 1 223.364 0.750 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877471 /nfs/dbraw/zinc/87/74/71/584877471.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 3 1 223.364 0.750 20 0 BCADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385208 584878130 /nfs/dbraw/zinc/87/81/30/584878130.db2.gz VFQFTPCXJLGGHF-JQWIXIFHSA-N 2 1 247.346 0.585 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407102 584878612 /nfs/dbraw/zinc/87/86/12/584878612.db2.gz NIJKLFFJXXCCQK-VXGBXAGGSA-N 3 1 213.369 0.888 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406017 584878665 /nfs/dbraw/zinc/87/86/65/584878665.db2.gz NNNAVSPWVJMDFK-LLVKDONJSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410956 584878852 /nfs/dbraw/zinc/87/88/52/584878852.db2.gz RWSVXDQUECZGPO-AGIUHOORSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1C[NH3+] ZINC000904411922 584879697 /nfs/dbraw/zinc/87/96/97/584879697.db2.gz QFDAXPVLBUBSJC-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420256 584882036 /nfs/dbraw/zinc/88/20/36/584882036.db2.gz ILJRXNFMTRWXIE-NWDGAFQWSA-N 2 1 232.331 0.705 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420256 584882037 /nfs/dbraw/zinc/88/20/37/584882037.db2.gz ILJRXNFMTRWXIE-NWDGAFQWSA-N 2 1 232.331 0.705 20 0 BCADMP Nc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420301 584882250 /nfs/dbraw/zinc/88/22/50/584882250.db2.gz JXLYCFRCRGIRTF-DTWKUNHWSA-N 2 1 238.360 0.767 20 0 BCADMP Nc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420301 584882251 /nfs/dbraw/zinc/88/22/51/584882251.db2.gz JXLYCFRCRGIRTF-DTWKUNHWSA-N 2 1 238.360 0.767 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081425 584889761 /nfs/dbraw/zinc/88/97/61/584889761.db2.gz AWRGAOXEDCFLNT-GARJFASQSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762652798 585434847 /nfs/dbraw/zinc/43/48/47/585434847.db2.gz ZFZURZAOYYVXKP-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762652798 585434848 /nfs/dbraw/zinc/43/48/48/585434848.db2.gz ZFZURZAOYYVXKP-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000762978983 585440642 /nfs/dbraw/zinc/44/06/42/585440642.db2.gz OCUALKLQHSSUQK-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP O=C1O[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC12CC2 ZINC000763672225 585452110 /nfs/dbraw/zinc/45/21/10/585452110.db2.gz NJVNODSDJDLGHU-AXFHLTTASA-N 2 1 236.315 0.233 20 0 BCADMP O=C1O[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC12CC2 ZINC000763672225 585452111 /nfs/dbraw/zinc/45/21/11/585452111.db2.gz NJVNODSDJDLGHU-AXFHLTTASA-N 2 1 236.315 0.233 20 0 BCADMP O=C1O[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC12CC2 ZINC000763672227 585452185 /nfs/dbraw/zinc/45/21/85/585452185.db2.gz NJVNODSDJDLGHU-MXWKQRLJSA-N 2 1 236.315 0.233 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339870 585751493 /nfs/dbraw/zinc/75/14/93/585751493.db2.gz GFYUGOIOJQFNEO-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779341461 585751860 /nfs/dbraw/zinc/75/18/60/585751860.db2.gz HWUNDEWRINTJIE-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327761 585922072 /nfs/dbraw/zinc/92/20/72/585922072.db2.gz RNQPHYPHRGVPAM-RYUDHWBXSA-N 2 1 235.331 0.973 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCNC(=O)C2(C)C)CC1 ZINC000788479746 585925294 /nfs/dbraw/zinc/92/52/94/585925294.db2.gz AQWAYCKOBMOXLR-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000791564892 585983942 /nfs/dbraw/zinc/98/39/42/585983942.db2.gz BKXMZEWEHCOXSB-GRYCIOLGSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000791564892 585983943 /nfs/dbraw/zinc/98/39/43/585983943.db2.gz BKXMZEWEHCOXSB-GRYCIOLGSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H](CCO)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799726205 586194799 /nfs/dbraw/zinc/19/47/99/586194799.db2.gz MISNSMZEROAJCF-LBPRGKRZSA-N 2 1 243.395 0.373 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1C ZINC000843081400 586237922 /nfs/dbraw/zinc/23/79/22/586237922.db2.gz RMEMLNQYSINLTM-AAEUAGOBSA-N 2 1 238.331 0.198 20 0 BCADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912829 586831432 /nfs/dbraw/zinc/83/14/32/586831432.db2.gz JMCYMUBCGCFESI-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP CC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])OCCO1 ZINC000817918237 586832364 /nfs/dbraw/zinc/83/23/64/586832364.db2.gz XHHATTIVGBLZOD-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890758 586833249 /nfs/dbraw/zinc/83/32/49/586833249.db2.gz YMMVWWHRWSOOEM-UTUOFQBUSA-N 2 1 211.353 0.811 20 0 BCADMP CC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])OCCO1 ZINC000817918231 586840071 /nfs/dbraw/zinc/84/00/71/586840071.db2.gz XHHATTIVGBLZOD-GHMZBOCLSA-N 2 1 228.336 0.999 20 0 BCADMP Cc1c[nH+]cn1CC(=O)OCCC[NH+](C)C ZINC000859947970 589072776 /nfs/dbraw/zinc/07/27/76/589072776.db2.gz QCKBHOVUDSYCGE-UHFFFAOYSA-N 2 1 225.292 0.686 20 0 BCADMP c1nc2c([nH]1)C[N@@H+](CCC1OCCO1)CC2 ZINC000821270153 587104456 /nfs/dbraw/zinc/10/44/56/587104456.db2.gz KDNOKECPQQIVGQ-UHFFFAOYSA-N 2 1 223.276 0.531 20 0 BCADMP C[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000821452504 587120636 /nfs/dbraw/zinc/12/06/36/587120636.db2.gz BQIZJHNPNICJNO-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000821452504 587120638 /nfs/dbraw/zinc/12/06/38/587120638.db2.gz BQIZJHNPNICJNO-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000821526596 587126262 /nfs/dbraw/zinc/12/62/62/587126262.db2.gz DTGUZSWOCYEVNH-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000821526596 587126264 /nfs/dbraw/zinc/12/62/64/587126264.db2.gz DTGUZSWOCYEVNH-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC000827408339 587380333 /nfs/dbraw/zinc/38/03/33/587380333.db2.gz VIUCYJBRNYBIDD-UHFFFAOYSA-N 2 1 238.335 0.800 20 0 BCADMP CN(CC[S@@](C)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827878465 587406749 /nfs/dbraw/zinc/40/67/49/587406749.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 1 232.393 0.639 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1C ZINC000830463205 587552058 /nfs/dbraw/zinc/55/20/58/587552058.db2.gz LHDYPEXRVQJWBU-FOGDFJRCSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)Cc2ncc[nH]2)CC[N@@H+]1C ZINC000831617807 587624220 /nfs/dbraw/zinc/62/42/20/587624220.db2.gz JYHAMFYGZRCYQO-ZJUUUORDSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)Cc2ncc[nH]2)CCN1C ZINC000831617807 587624221 /nfs/dbraw/zinc/62/42/21/587624221.db2.gz JYHAMFYGZRCYQO-ZJUUUORDSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971463 587640257 /nfs/dbraw/zinc/64/02/57/587640257.db2.gz XXJNZRAGARWUHD-PWSUYJOCSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970626 587640315 /nfs/dbraw/zinc/64/03/15/587640315.db2.gz JUXRMFXUJVDMTC-PWSUYJOCSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970424 587640488 /nfs/dbraw/zinc/64/04/88/587640488.db2.gz HCLPMCACEOCPSV-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970605 587640655 /nfs/dbraw/zinc/64/06/55/587640655.db2.gz JJTZXWCULULILF-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971383 587640718 /nfs/dbraw/zinc/64/07/18/587640718.db2.gz WQQSNQJZWAWBIN-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970700 587640750 /nfs/dbraw/zinc/64/07/50/587640750.db2.gz KPMPKVYGEYZPLF-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970621 587640756 /nfs/dbraw/zinc/64/07/56/587640756.db2.gz JUKMDHLZUBUPPY-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC(=O)NCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000832755831 587684474 /nfs/dbraw/zinc/68/44/74/587684474.db2.gz DOTQAPNEUVXGKY-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)CCC[NH3+] ZINC000832781728 587689229 /nfs/dbraw/zinc/68/92/29/587689229.db2.gz LUPZFXUVZXHREN-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000834687113 587764356 /nfs/dbraw/zinc/76/43/56/587764356.db2.gz SJMGZAYAIBXBIW-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000841020309 587935576 /nfs/dbraw/zinc/93/55/76/587935576.db2.gz WDZPAPZGWGMHDZ-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]Cc1cccc(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000841849678 587978044 /nfs/dbraw/zinc/97/80/44/587978044.db2.gz GNXXJLNUXBWWNV-UHFFFAOYSA-N 2 1 243.257 0.469 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843081078 588080358 /nfs/dbraw/zinc/08/03/58/588080358.db2.gz OOBPWJVVWDNQBK-JOYOIKCWSA-N 2 1 242.294 0.029 20 0 BCADMP CCCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348172 588102353 /nfs/dbraw/zinc/10/23/53/588102353.db2.gz AMFMUCNVAVRLNR-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CCCCCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348172 588102355 /nfs/dbraw/zinc/10/23/55/588102355.db2.gz AMFMUCNVAVRLNR-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC000843376827 588104393 /nfs/dbraw/zinc/10/43/93/588104393.db2.gz HCYFJPBWDRNTOF-JTQLQIEISA-N 2 1 231.315 0.275 20 0 BCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC000843376827 588104395 /nfs/dbraw/zinc/10/43/95/588104395.db2.gz HCYFJPBWDRNTOF-JTQLQIEISA-N 2 1 231.315 0.275 20 0 BCADMP O=C1OCC[C@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385758 588105692 /nfs/dbraw/zinc/10/56/92/588105692.db2.gz VTWKFQDBIRNFOF-VXGBXAGGSA-N 2 1 238.331 0.623 20 0 BCADMP [NH3+]CCCCCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000843505843 588117285 /nfs/dbraw/zinc/11/72/85/588117285.db2.gz OGPGDHHMBQPIED-SECBINFHSA-N 2 1 231.365 0.284 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844178337 588172460 /nfs/dbraw/zinc/17/24/60/588172460.db2.gz PKRIHSBXQPDOGP-PWSUYJOCSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217740 588260491 /nfs/dbraw/zinc/26/04/91/588260491.db2.gz NWDSLTCQZUBECU-VXGBXAGGSA-N 3 1 229.368 0.554 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846217740 588260492 /nfs/dbraw/zinc/26/04/92/588260492.db2.gz NWDSLTCQZUBECU-VXGBXAGGSA-N 3 1 229.368 0.554 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846221493 588261108 /nfs/dbraw/zinc/26/11/08/588261108.db2.gz ZGMBGKNHLYDARF-GXTWGEPZSA-N 2 1 249.358 0.841 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848720953 588408349 /nfs/dbraw/zinc/40/83/49/588408349.db2.gz FNCVICHUNBXJAW-MXWKQRLJSA-N 2 1 239.319 0.439 20 0 BCADMP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000848986947 588425531 /nfs/dbraw/zinc/42/55/31/588425531.db2.gz BPSRWALHOWPIGC-NXEZZACHSA-N 2 1 212.341 0.851 20 0 BCADMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000848992784 588427878 /nfs/dbraw/zinc/42/78/78/588427878.db2.gz ULDDBMDUVDGBIO-GHMZBOCLSA-N 2 1 240.351 0.183 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848992602 588427954 /nfs/dbraw/zinc/42/79/54/588427954.db2.gz MMVPWGWWFHQGEX-SNVBAGLBSA-N 2 1 210.325 0.558 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848996240 588428958 /nfs/dbraw/zinc/42/89/58/588428958.db2.gz MVJOKQPTPYPZMK-LLVKDONJSA-N 2 1 224.352 0.947 20 0 BCADMP CCN(CC)C(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997604 588429487 /nfs/dbraw/zinc/42/94/87/588429487.db2.gz TVYQHMLGMAJXCD-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP CCN(CC)C(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997604 588429488 /nfs/dbraw/zinc/42/94/88/588429488.db2.gz TVYQHMLGMAJXCD-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP C[C@H](CNC(=[NH2+])NCC1CCC1)[NH+](C)C ZINC000848996734 588429618 /nfs/dbraw/zinc/42/96/18/588429618.db2.gz VQVMEPUHBLNUGJ-SECBINFHSA-N 2 1 212.341 0.851 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N(C)C)C(C)C ZINC000849001057 588430799 /nfs/dbraw/zinc/43/07/99/588430799.db2.gz WWYDDNKZTLCQIN-UHFFFAOYSA-N 2 1 200.330 0.803 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000951 588430969 /nfs/dbraw/zinc/43/09/69/588430969.db2.gz IHBQCKLFSGKEJO-UHFFFAOYSA-N 2 1 212.341 0.993 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N2CCOCC2)C1 ZINC000849004731 588432091 /nfs/dbraw/zinc/43/20/91/588432091.db2.gz XSMPFQJXAPFFLQ-NSHDSACASA-N 2 1 240.351 0.185 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000849004676 588432126 /nfs/dbraw/zinc/43/21/26/588432126.db2.gz VMVQOCHRUMHMNF-JTQLQIEISA-N 2 1 210.325 0.558 20 0 BCADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCC ZINC000849005420 588432369 /nfs/dbraw/zinc/43/23/69/588432369.db2.gz DCQAHNWLFMAHTK-UHFFFAOYSA-N 2 1 200.330 0.852 20 0 BCADMP CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000849006007 588432614 /nfs/dbraw/zinc/43/26/14/588432614.db2.gz KMCILOLFACBBJD-JTQLQIEISA-N 2 1 212.341 0.995 20 0 BCADMP COCCNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000849006201 588432619 /nfs/dbraw/zinc/43/26/19/588432619.db2.gz GRKHEQSRYDQQOA-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP COC1CC[NH+](CCNC(=[NH2+])N2CCC2)CC1 ZINC000849011875 588435710 /nfs/dbraw/zinc/43/57/10/588435710.db2.gz VFHNPINCJBCGCG-UHFFFAOYSA-N 2 1 240.351 0.327 20 0 BCADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019076 588438174 /nfs/dbraw/zinc/43/81/74/588438174.db2.gz GMVCRKHBGXGYQF-LBPRGKRZSA-N 2 1 240.351 0.063 20 0 BCADMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC1 ZINC000849020393 588438548 /nfs/dbraw/zinc/43/85/48/588438548.db2.gz FPRROHRFEVXJKZ-VIFPVBQESA-N 2 1 219.292 0.428 20 0 BCADMP CN1CC[NH+]=C1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020417 588438684 /nfs/dbraw/zinc/43/86/84/588438684.db2.gz IPOBVOYVCSESCF-SECBINFHSA-N 2 1 219.292 0.089 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021102 588438861 /nfs/dbraw/zinc/43/88/61/588438861.db2.gz QGNWPUUUHWWPRF-LLVKDONJSA-N 2 1 242.367 0.621 20 0 BCADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021102 588438862 /nfs/dbraw/zinc/43/88/62/588438862.db2.gz QGNWPUUUHWWPRF-LLVKDONJSA-N 2 1 242.367 0.621 20 0 BCADMP CNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023204 588439642 /nfs/dbraw/zinc/43/96/42/588439642.db2.gz YDEATPMZJFWKPU-UHFFFAOYSA-N 2 1 212.341 0.852 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038902 588446768 /nfs/dbraw/zinc/44/67/68/588446768.db2.gz XGIWTTDMSBQCST-JTQLQIEISA-N 2 1 242.367 0.356 20 0 BCADMP CCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039865 588447067 /nfs/dbraw/zinc/44/70/67/588447067.db2.gz VIACRRWEUPOIKC-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CN(C)C(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039784 588447253 /nfs/dbraw/zinc/44/72/53/588447253.db2.gz RNQTZLPSANCCAE-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP COCCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041655 588448400 /nfs/dbraw/zinc/44/84/00/588448400.db2.gz UWMMEBGZLQSRSB-LLVKDONJSA-N 2 1 242.367 0.479 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000849043895 588449028 /nfs/dbraw/zinc/44/90/28/588449028.db2.gz YLBAZCNVJLIGOD-JTQLQIEISA-N 2 1 240.351 0.374 20 0 BCADMP Cc1[nH+]ccn1Cc1cn(CC[NH+](C)C)nn1 ZINC000849136521 588453702 /nfs/dbraw/zinc/45/37/02/588453702.db2.gz HQFFGQRRGMUGNC-UHFFFAOYSA-N 2 1 234.307 0.393 20 0 BCADMP C[C@]1(C[N@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]C1 ZINC000849350426 588474835 /nfs/dbraw/zinc/47/48/35/588474835.db2.gz OMRSMNIRUKNJMQ-AWEZNQCLSA-N 2 1 249.358 0.856 20 0 BCADMP CCN(OC)C(=O)C[NH2+]Cc1cnc(C)n1C ZINC000850338461 588537240 /nfs/dbraw/zinc/53/72/40/588537240.db2.gz HOCQZKMUWSGVQC-UHFFFAOYSA-N 2 1 240.307 0.228 20 0 BCADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000850477441 588549095 /nfs/dbraw/zinc/54/90/95/588549095.db2.gz GPINTFVEBGCOFJ-XQQFMLRXSA-N 2 1 241.379 0.942 20 0 BCADMP CON(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000850477855 588549640 /nfs/dbraw/zinc/54/96/40/588549640.db2.gz LEYWIJWVKVHZQX-UHFFFAOYSA-N 2 1 227.352 0.696 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)OC)[C@@H](C)C1 ZINC000850480359 588550794 /nfs/dbraw/zinc/55/07/94/588550794.db2.gz QGXLQAALRPQFES-RYUDHWBXSA-N 2 1 229.368 0.800 20 0 BCADMP CON(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000850479876 588551217 /nfs/dbraw/zinc/55/12/17/588551217.db2.gz FCEHLUNSPCXXGV-UHFFFAOYSA-N 2 1 201.314 0.163 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]C(C)C)C(C)C ZINC000852801487 588704713 /nfs/dbraw/zinc/70/47/13/588704713.db2.gz NEEOBWGQFQODMQ-UHFFFAOYSA-N 2 1 229.368 0.831 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852837120 588707136 /nfs/dbraw/zinc/70/71/36/588707136.db2.gz QDMVSFSYCAKSOF-JTQLQIEISA-N 2 1 222.292 0.496 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852838750 588707281 /nfs/dbraw/zinc/70/72/81/588707281.db2.gz NSEZMIRLCNUVQA-MXWKQRLJSA-N 2 1 239.363 0.570 20 0 BCADMP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000852857748 588708738 /nfs/dbraw/zinc/70/87/38/588708738.db2.gz DUPXLDVKNSQDFV-UHFFFAOYSA-N 2 1 249.358 0.603 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000852865238 588709510 /nfs/dbraw/zinc/70/95/10/588709510.db2.gz WPYSLKIUEMRCKF-XYPYZODXSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861569971 589168497 /nfs/dbraw/zinc/16/84/97/589168497.db2.gz IHWCVEIZLMSBJP-LLVKDONJSA-N 2 1 244.383 0.705 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861571952 589168525 /nfs/dbraw/zinc/16/85/25/589168525.db2.gz KEQFONQQZGUREE-GHMZBOCLSA-N 2 1 244.383 0.705 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000861564033 589168528 /nfs/dbraw/zinc/16/85/28/589168528.db2.gz HBNPJVGYQJOXGJ-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861569787 589168572 /nfs/dbraw/zinc/16/85/72/589168572.db2.gz DVCQYSYJAKUWNS-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861569972 589168614 /nfs/dbraw/zinc/16/86/14/589168614.db2.gz IHWCVEIZLMSBJP-NSHDSACASA-N 2 1 244.383 0.705 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000861582476 589169002 /nfs/dbraw/zinc/16/90/02/589169002.db2.gz XDPYNZIYBGOGFP-VHSXEESVSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000864055866 589336387 /nfs/dbraw/zinc/33/63/87/589336387.db2.gz ZPLVZNQSPSSMID-DTWKUNHWSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000864055866 589336388 /nfs/dbraw/zinc/33/63/88/589336388.db2.gz ZPLVZNQSPSSMID-DTWKUNHWSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000864456579 589367248 /nfs/dbraw/zinc/36/72/48/589367248.db2.gz JPSPENXDHGTUAN-GMTAPVOTSA-N 2 1 224.352 0.851 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000864456682 589367517 /nfs/dbraw/zinc/36/75/17/589367517.db2.gz JPSPENXDHGTUAN-VWYCJHECSA-N 2 1 224.352 0.851 20 0 BCADMP CCC(CC)NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000864464038 589370060 /nfs/dbraw/zinc/37/00/60/589370060.db2.gz PLRKWZWOAXOQLV-LBPRGKRZSA-N 2 1 242.367 0.356 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000864464433 589370645 /nfs/dbraw/zinc/37/06/45/589370645.db2.gz VXJWDWIRAINVGS-QWRGUYRKSA-N 2 1 240.351 0.231 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000864464433 589370646 /nfs/dbraw/zinc/37/06/46/589370646.db2.gz VXJWDWIRAINVGS-QWRGUYRKSA-N 2 1 240.351 0.231 20 0 BCADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866205539 589480203 /nfs/dbraw/zinc/48/02/03/589480203.db2.gz FLFPYNLMTHLZLE-GHMZBOCLSA-N 2 1 247.346 0.898 20 0 BCADMP NC(=O)c1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000866660747 589508111 /nfs/dbraw/zinc/50/81/11/589508111.db2.gz DSNGNUOQKYWUMZ-UHFFFAOYSA-N 2 1 247.342 0.623 20 0 BCADMP NC(=O)c1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000866660747 589508113 /nfs/dbraw/zinc/50/81/13/589508113.db2.gz DSNGNUOQKYWUMZ-UHFFFAOYSA-N 2 1 247.342 0.623 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665017 589509554 /nfs/dbraw/zinc/50/95/54/589509554.db2.gz BSLPVKVTZOTMEN-USZNOCQGSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665017 589509556 /nfs/dbraw/zinc/50/95/56/589509556.db2.gz BSLPVKVTZOTMEN-USZNOCQGSA-N 2 1 210.321 0.705 20 0 BCADMP C[N@H+](CCc1ccc(C(N)=O)cc1)CC(C)(C)[NH3+] ZINC000866668947 589510402 /nfs/dbraw/zinc/51/04/02/589510402.db2.gz MPMPXKXUZKWNGI-UHFFFAOYSA-N 2 1 249.358 0.997 20 0 BCADMP C[N@@H+](CCc1ccc(C(N)=O)cc1)CC(C)(C)[NH3+] ZINC000866668947 589510404 /nfs/dbraw/zinc/51/04/04/589510404.db2.gz MPMPXKXUZKWNGI-UHFFFAOYSA-N 2 1 249.358 0.997 20 0 BCADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000866706290 589514498 /nfs/dbraw/zinc/51/44/98/589514498.db2.gz HEASAFPCIXDBRH-GXFFZTMASA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874134 589693566 /nfs/dbraw/zinc/69/35/66/589693566.db2.gz UYDDPGNVGBUFLM-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000870892831 589695049 /nfs/dbraw/zinc/69/50/49/589695049.db2.gz NDMSVVJZWIYGER-MXWKQRLJSA-N 2 1 227.352 0.665 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981529 589704783 /nfs/dbraw/zinc/70/47/83/589704783.db2.gz JGKAZQOBRMKGBL-SRVKXCTJSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981526 589704787 /nfs/dbraw/zinc/70/47/87/589704787.db2.gz JGKAZQOBRMKGBL-QJPTWQEYSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983783 589705441 /nfs/dbraw/zinc/70/54/41/589705441.db2.gz YFASWWKFKCNEDL-OUAUKWLOSA-N 2 1 225.336 0.134 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000870983538 589705609 /nfs/dbraw/zinc/70/56/09/589705609.db2.gz VVRUBJQJGLQDCT-OUAUKWLOSA-N 2 1 225.336 0.132 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986201 589705757 /nfs/dbraw/zinc/70/57/57/589705757.db2.gz IPUHNGLGITVQSX-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000871604946 589773960 /nfs/dbraw/zinc/77/39/60/589773960.db2.gz JQVSIPXLEHFORV-NSHDSACASA-N 2 1 242.367 0.431 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000871604017 589774324 /nfs/dbraw/zinc/77/43/24/589774324.db2.gz PSEIPNRJXZIGFP-JTQLQIEISA-N 2 1 228.340 0.041 20 0 BCADMP O[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872141057 589881674 /nfs/dbraw/zinc/88/16/74/589881674.db2.gz JLUAMZFODFUSIP-UMSGYPCISA-N 2 1 240.347 0.353 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155339 589886069 /nfs/dbraw/zinc/88/60/69/589886069.db2.gz JLFUYJSTURCPAK-GFCCVEGCSA-N 3 1 231.384 0.408 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154537 589886095 /nfs/dbraw/zinc/88/60/95/589886095.db2.gz SFTPPJUJYXBWQO-GMXVVIOVSA-N 2 1 237.347 0.149 20 0 BCADMP Cn1[nH]c(C[N@@H+](C)CCCCCC[NH3+])nc1=O ZINC000872155566 589886160 /nfs/dbraw/zinc/88/61/60/589886160.db2.gz QEHROZQXJNALCE-UHFFFAOYSA-N 2 1 241.339 0.059 20 0 BCADMP CS[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872224333 589897072 /nfs/dbraw/zinc/89/70/72/589897072.db2.gz AKSVTGOCRGQFCZ-DLOVCJGASA-N 2 1 244.404 0.925 20 0 BCADMP CS[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872224333 589897075 /nfs/dbraw/zinc/89/70/75/589897075.db2.gz AKSVTGOCRGQFCZ-DLOVCJGASA-N 2 1 244.404 0.925 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296946 589907204 /nfs/dbraw/zinc/90/72/04/589907204.db2.gz CHCVVURSANIUFD-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000019422914 589908168 /nfs/dbraw/zinc/90/81/68/589908168.db2.gz CMSYAWXZIIKQGA-VIFPVBQESA-N 2 1 245.392 0.353 20 0 BCADMP Nc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000873201557 589992707 /nfs/dbraw/zinc/99/27/07/589992707.db2.gz LJVUJLKDHMEYQP-MVWJERBFSA-N 2 1 247.346 0.618 20 0 BCADMP Nc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000873201557 589992708 /nfs/dbraw/zinc/99/27/08/589992708.db2.gz LJVUJLKDHMEYQP-MVWJERBFSA-N 2 1 247.346 0.618 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873202134 589992917 /nfs/dbraw/zinc/99/29/17/589992917.db2.gz UPOZZHPGXQDARS-IUCAKERBSA-N 2 1 221.308 0.228 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873202134 589992920 /nfs/dbraw/zinc/99/29/20/589992920.db2.gz UPOZZHPGXQDARS-IUCAKERBSA-N 2 1 221.308 0.228 20 0 BCADMP C[N@@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201431 589993375 /nfs/dbraw/zinc/99/33/75/589993375.db2.gz UFGOFTWIUPFXRA-UHFFFAOYSA-N 2 1 226.345 0.818 20 0 BCADMP C(N[C@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229787 590002082 /nfs/dbraw/zinc/00/20/82/590002082.db2.gz FZLILNFPHUWCEF-OLZOCXBDSA-N 2 1 223.364 0.860 20 0 BCADMP C[C@H]([NH2+]Cc1ccnc(F)c1)C1C[NH2+]C1 ZINC000873241721 590006481 /nfs/dbraw/zinc/00/64/81/590006481.db2.gz IPWXYGLGMYAUDX-QMMMGPOBSA-N 2 1 209.268 0.918 20 0 BCADMP N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261880 590014001 /nfs/dbraw/zinc/01/40/01/590014001.db2.gz SMLUJTOCIMKKRB-NZEXEKPDSA-N 2 1 223.364 0.986 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873269261 590015312 /nfs/dbraw/zinc/01/53/12/590015312.db2.gz FFKIDKBPSUTFHG-YUSALJHKSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873271148 590016166 /nfs/dbraw/zinc/01/61/66/590016166.db2.gz FFKIDKBPSUTFHG-MVWJERBFSA-N 2 1 211.353 0.844 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734067 590234486 /nfs/dbraw/zinc/23/44/86/590234486.db2.gz OKJMZYRGKURZQU-GARJFASQSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH+]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876790176 590241315 /nfs/dbraw/zinc/24/13/15/590241315.db2.gz VKOBMQCPMSFOQB-QMAVJUDZSA-N 2 1 237.347 0.316 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876808523 590244774 /nfs/dbraw/zinc/24/47/74/590244774.db2.gz KIABFEIOBHVXHQ-SCZZXKLOSA-N 2 1 247.289 0.229 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000876851814 590249524 /nfs/dbraw/zinc/24/95/24/590249524.db2.gz OVBBHNTVZBRDKO-BDAKNGLRSA-N 2 1 245.273 0.099 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000876884589 590253672 /nfs/dbraw/zinc/25/36/72/590253672.db2.gz FCQCXFAUAWRFCG-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876923582 590257800 /nfs/dbraw/zinc/25/78/00/590257800.db2.gz DMQXANODUNESSX-ZDUSSCGKSA-N 2 1 248.330 0.546 20 0 BCADMP CC[N@H+](CC[NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000876995944 590266872 /nfs/dbraw/zinc/26/68/72/590266872.db2.gz KLVSZPJADIISLM-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CC[NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000876995944 590266874 /nfs/dbraw/zinc/26/68/74/590266874.db2.gz KLVSZPJADIISLM-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000877102773 590283914 /nfs/dbraw/zinc/28/39/14/590283914.db2.gz DLLBBNXLBWSTFD-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242919 590302584 /nfs/dbraw/zinc/30/25/84/590302584.db2.gz AFJNGUSWPPFWCB-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@H]21 ZINC000877250162 590303610 /nfs/dbraw/zinc/30/36/10/590303610.db2.gz OFDRZGDITVIPCO-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877248931 590303628 /nfs/dbraw/zinc/30/36/28/590303628.db2.gz GJJSLFAKVADMHI-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@@H]21 ZINC000877250158 590303995 /nfs/dbraw/zinc/30/39/95/590303995.db2.gz OEDDGRKZUGLKIN-QWQWKMKNSA-N 2 1 249.358 0.289 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284750 590306808 /nfs/dbraw/zinc/30/68/08/590306808.db2.gz VZKKAZGWQUVWQI-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391047 590322486 /nfs/dbraw/zinc/32/24/86/590322486.db2.gz MAMONKIYHVSBKF-YPMHNXCESA-N 2 1 239.363 0.729 20 0 BCADMP CN(CCCCCC[NH3+])C(=O)[C@H]1CSC[NH2+]1 ZINC000877438038 590327709 /nfs/dbraw/zinc/32/77/09/590327709.db2.gz HMVOCRQBRXSQEX-SNVBAGLBSA-N 2 1 245.392 0.626 20 0 BCADMP CC(C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878000347 590469442 /nfs/dbraw/zinc/46/94/42/590469442.db2.gz BHLWUULZCQAWFD-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC=CCC2)CC1 ZINC000878383955 590558229 /nfs/dbraw/zinc/55/82/29/590558229.db2.gz GFZZTZKKAGVSEY-UHFFFAOYSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=CCC2)CC1 ZINC000878383955 590558230 /nfs/dbraw/zinc/55/82/30/590558230.db2.gz GFZZTZKKAGVSEY-UHFFFAOYSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC2(CC[N@H+](Cc3cnon3)C2)CC1 ZINC000878864052 590635530 /nfs/dbraw/zinc/63/55/30/590635530.db2.gz OALZJNMVHGBSKG-UHFFFAOYSA-N 2 1 236.319 0.987 20 0 BCADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnon3)C2)CC1 ZINC000878864052 590635532 /nfs/dbraw/zinc/63/55/32/590635532.db2.gz OALZJNMVHGBSKG-UHFFFAOYSA-N 2 1 236.319 0.987 20 0 BCADMP C[C@H](C(=O)NCC[N@H+]1CCC[C@H]1C)[NH+](C)C ZINC000879537185 590796900 /nfs/dbraw/zinc/79/69/00/590796900.db2.gz UXMMVGYWCPQRQU-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569869 590806271 /nfs/dbraw/zinc/80/62/71/590806271.db2.gz VCXWJXNLASMNRI-MNOVXSKESA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569869 590806269 /nfs/dbraw/zinc/80/62/69/590806269.db2.gz VCXWJXNLASMNRI-MNOVXSKESA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569869 590806272 /nfs/dbraw/zinc/80/62/72/590806272.db2.gz VCXWJXNLASMNRI-MNOVXSKESA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569869 590806273 /nfs/dbraw/zinc/80/62/73/590806273.db2.gz VCXWJXNLASMNRI-MNOVXSKESA-N 2 1 226.320 0.576 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807583 /nfs/dbraw/zinc/80/75/83/590807583.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573768 590809702 /nfs/dbraw/zinc/80/97/02/590809702.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573768 590809705 /nfs/dbraw/zinc/80/97/05/590809705.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573768 590809708 /nfs/dbraw/zinc/80/97/08/590809708.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 2 1 212.337 0.783 20 0 BCADMP CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570771 590809975 /nfs/dbraw/zinc/80/99/75/590809975.db2.gz IQOCVQNASADJHC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570771 590809976 /nfs/dbraw/zinc/80/99/76/590809976.db2.gz IQOCVQNASADJHC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570771 590809978 /nfs/dbraw/zinc/80/99/78/590809978.db2.gz IQOCVQNASADJHC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570771 590809980 /nfs/dbraw/zinc/80/99/80/590809980.db2.gz IQOCVQNASADJHC-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573658 590811581 /nfs/dbraw/zinc/81/15/81/590811581.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573658 590811585 /nfs/dbraw/zinc/81/15/85/590811585.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573658 590811587 /nfs/dbraw/zinc/81/15/87/590811587.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 2 1 228.336 0.020 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000879571482 590811777 /nfs/dbraw/zinc/81/17/77/590811777.db2.gz AIAYAFXGQCHZBU-KGLIPLIRSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000879571482 590811779 /nfs/dbraw/zinc/81/17/79/590811779.db2.gz AIAYAFXGQCHZBU-KGLIPLIRSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000879571482 590811781 /nfs/dbraw/zinc/81/17/81/590811781.db2.gz AIAYAFXGQCHZBU-KGLIPLIRSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000879571482 590811782 /nfs/dbraw/zinc/81/17/82/590811782.db2.gz AIAYAFXGQCHZBU-KGLIPLIRSA-N 2 1 248.374 0.989 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579242 590817992 /nfs/dbraw/zinc/81/79/92/590817992.db2.gz KMCKYSDMHQMKSU-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579242 590817995 /nfs/dbraw/zinc/81/79/95/590817995.db2.gz KMCKYSDMHQMKSU-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579242 590817998 /nfs/dbraw/zinc/81/79/98/590817998.db2.gz KMCKYSDMHQMKSU-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)CC[C@H]21 ZINC000879579242 590818000 /nfs/dbraw/zinc/81/80/00/590818000.db2.gz KMCKYSDMHQMKSU-SDDRHHMPSA-N 2 1 237.347 0.291 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)nn1 ZINC000879579568 590818223 /nfs/dbraw/zinc/81/82/23/590818223.db2.gz NZOOPXLXAJUZJT-YPMHNXCESA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)nn1 ZINC000879579568 590818226 /nfs/dbraw/zinc/81/82/26/590818226.db2.gz NZOOPXLXAJUZJT-YPMHNXCESA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nn1 ZINC000879579568 590818228 /nfs/dbraw/zinc/81/82/28/590818228.db2.gz NZOOPXLXAJUZJT-YPMHNXCESA-N 2 1 249.362 0.384 20 0 BCADMP Cn1cc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)nn1 ZINC000879579568 590818231 /nfs/dbraw/zinc/81/82/31/590818231.db2.gz NZOOPXLXAJUZJT-YPMHNXCESA-N 2 1 249.362 0.384 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582024 590819839 /nfs/dbraw/zinc/81/98/39/590819839.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582024 590819840 /nfs/dbraw/zinc/81/98/40/590819840.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582024 590819842 /nfs/dbraw/zinc/81/98/42/590819842.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 2 1 228.336 0.020 20 0 BCADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580815 590821034 /nfs/dbraw/zinc/82/10/34/590821034.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580815 590821037 /nfs/dbraw/zinc/82/10/37/590821037.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580815 590821040 /nfs/dbraw/zinc/82/10/40/590821040.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 2 1 212.337 0.641 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581340 590822135 /nfs/dbraw/zinc/82/21/35/590822135.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879581340 590822138 /nfs/dbraw/zinc/82/21/38/590822138.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879581340 590822142 /nfs/dbraw/zinc/82/21/42/590822142.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 2 1 242.363 0.674 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CC=C[C@H]1CO ZINC000880488293 591064073 /nfs/dbraw/zinc/06/40/73/591064073.db2.gz BPQMXVCWAPLHIV-NSHDSACASA-N 2 1 207.277 0.424 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CC=C[C@H]1CO ZINC000880488293 591064079 /nfs/dbraw/zinc/06/40/79/591064079.db2.gz BPQMXVCWAPLHIV-NSHDSACASA-N 2 1 207.277 0.424 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C[C@H]1CO ZINC000880488716 591066555 /nfs/dbraw/zinc/06/65/55/591066555.db2.gz KVNYZTYYBQQQSQ-LBPRGKRZSA-N 2 1 221.304 0.814 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C[C@H]1CO ZINC000880488716 591066560 /nfs/dbraw/zinc/06/65/60/591066560.db2.gz KVNYZTYYBQQQSQ-LBPRGKRZSA-N 2 1 221.304 0.814 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000882486283 591358202 /nfs/dbraw/zinc/35/82/02/591358202.db2.gz PCROKQZMKMVLCI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000882486283 591358208 /nfs/dbraw/zinc/35/82/08/591358208.db2.gz PCROKQZMKMVLCI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000882486283 591358210 /nfs/dbraw/zinc/35/82/10/591358210.db2.gz PCROKQZMKMVLCI-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000882491906 591372785 /nfs/dbraw/zinc/37/27/85/591372785.db2.gz LKZNDILUZMLJJC-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP COCCOC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000130258842 591452589 /nfs/dbraw/zinc/45/25/89/591452589.db2.gz KCRKPDVDYRBAAY-LLVKDONJSA-N 2 1 230.352 0.722 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000130658597 591494629 /nfs/dbraw/zinc/49/46/29/591494629.db2.gz FXVPVOIDUAAKIA-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000883423463 591658876 /nfs/dbraw/zinc/65/88/76/591658876.db2.gz LPNHKULBKCHBRL-GMXVVIOVSA-N 2 1 241.354 0.855 20 0 BCADMP CC1(C)C[C@H](C[N@H+](CC[NH3+])CCO)C(C)(C)O1 ZINC000883425339 591659475 /nfs/dbraw/zinc/65/94/75/591659475.db2.gz RZWDZCAWUUNXSJ-LLVKDONJSA-N 2 1 244.379 0.833 20 0 BCADMP CC1(C)C[C@H](C[N@@H+](CC[NH3+])CCO)C(C)(C)O1 ZINC000883425339 591659481 /nfs/dbraw/zinc/65/94/81/591659481.db2.gz RZWDZCAWUUNXSJ-LLVKDONJSA-N 2 1 244.379 0.833 20 0 BCADMP Cc1nonc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000883428366 591660004 /nfs/dbraw/zinc/66/00/04/591660004.db2.gz RTCDUOMZNPJLNB-UHFFFAOYSA-N 2 1 236.319 0.954 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433707 591663771 /nfs/dbraw/zinc/66/37/71/591663771.db2.gz XDWUGIGMSKDOKL-ZDUSSCGKSA-N 2 1 234.347 0.791 20 0 BCADMP CCCS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442650 591669434 /nfs/dbraw/zinc/66/94/34/591669434.db2.gz PPTKDBAYTFSVAO-ZJUUUORDSA-N 2 1 248.392 0.527 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000132411679 591706700 /nfs/dbraw/zinc/70/67/00/591706700.db2.gz FKYWVRWBIVWPGK-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000884198418 591871858 /nfs/dbraw/zinc/87/18/58/591871858.db2.gz WDPGFNZDJGJLSV-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000134161903 591897282 /nfs/dbraw/zinc/89/72/82/591897282.db2.gz ULVBXDLNHNLSRV-DCAQKATOSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358763 591912383 /nfs/dbraw/zinc/91/23/83/591912383.db2.gz XOLXHRSONUOCBH-ZJUUUORDSA-N 2 1 227.352 0.569 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366324 591917524 /nfs/dbraw/zinc/91/75/24/591917524.db2.gz XTFOVFRROTZUBN-AXFHLTTASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1CC[C@@H](NC(=O)c2ncoc2C[NH3+])C[NH2+]1 ZINC000884438056 591934450 /nfs/dbraw/zinc/93/44/50/591934450.db2.gz UGEMMOPMRXRILJ-HTQZYQBOSA-N 2 1 238.291 0.004 20 0 BCADMP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000137383860 592175606 /nfs/dbraw/zinc/17/56/06/592175606.db2.gz SZDVZKMMXRMNKV-JQWIXIFHSA-N 2 1 237.347 0.467 20 0 BCADMP C[NH+](CCO)[C@H]1CC[C@H]([N@@H+](C)CCO)CC1 ZINC000886391865 592223168 /nfs/dbraw/zinc/22/31/68/592223168.db2.gz CCYVCFMQRJSBNW-HAQNSBGRSA-N 2 1 230.352 0.146 20 0 BCADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CCC[NH2+]CC1 ZINC000886827411 592350935 /nfs/dbraw/zinc/35/09/35/592350935.db2.gz KOQXJBUGLPWJOZ-NEPJUHHUSA-N 2 1 210.321 0.708 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827091 592352185 /nfs/dbraw/zinc/35/21/85/592352185.db2.gz DHEIRAQVDPDUJX-QJPTWQEYSA-N 2 1 210.321 0.707 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827091 592352190 /nfs/dbraw/zinc/35/21/90/592352190.db2.gz DHEIRAQVDPDUJX-QJPTWQEYSA-N 2 1 210.321 0.707 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838320 592358744 /nfs/dbraw/zinc/35/87/44/592358744.db2.gz VJEKRDUEJNWNLJ-HBIQZDMRSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1C[C@]12CCOC2 ZINC000886841539 592363856 /nfs/dbraw/zinc/36/38/56/592363856.db2.gz OBWFBKCDSINXHG-ZFQMDJOTSA-N 2 1 222.332 0.836 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886841381 592364010 /nfs/dbraw/zinc/36/40/10/592364010.db2.gz JNKWDWIGOHQTJC-QWHCGFSZSA-N 2 1 242.363 0.581 20 0 BCADMP CCN(CC[N@@H+]1CCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000886848504 592364580 /nfs/dbraw/zinc/36/45/80/592364580.db2.gz FTNOOXGLWMMEQM-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP CCN(CC[N@H+]1CCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000886848504 592364584 /nfs/dbraw/zinc/36/45/84/592364584.db2.gz FTNOOXGLWMMEQM-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP [NH2+]=C(NCC(F)F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000887349985 592485315 /nfs/dbraw/zinc/48/53/15/592485315.db2.gz PVKBBXHNODBVGF-QMMMGPOBSA-N 2 1 246.305 0.850 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887351152 592485456 /nfs/dbraw/zinc/48/54/56/592485456.db2.gz HYXADCNRMOHTAQ-UHFFFAOYSA-N 2 1 210.325 0.605 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887351152 592485457 /nfs/dbraw/zinc/48/54/57/592485457.db2.gz HYXADCNRMOHTAQ-UHFFFAOYSA-N 2 1 210.325 0.605 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349728 592485485 /nfs/dbraw/zinc/48/54/85/592485485.db2.gz GSKZIYCNYWEJMJ-QMMMGPOBSA-N 2 1 234.294 0.707 20 0 BCADMP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000300064290 592502696 /nfs/dbraw/zinc/50/26/96/592502696.db2.gz QSTIAKALYXOTRR-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000300064290 592502699 /nfs/dbraw/zinc/50/26/99/592502699.db2.gz QSTIAKALYXOTRR-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP Cn1nccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300776441 592519729 /nfs/dbraw/zinc/51/97/29/592519729.db2.gz AVEDLJKLNZPBFN-LLVKDONJSA-N 2 1 222.336 0.898 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000890067837 592676992 /nfs/dbraw/zinc/67/69/92/592676992.db2.gz XGVAILIGCQJHDP-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000114925772 592709512 /nfs/dbraw/zinc/70/95/12/592709512.db2.gz VFROTUHWMPVAFK-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000925706907 634393239 /nfs/dbraw/zinc/39/32/39/634393239.db2.gz OWYSHNIRKHYNGH-QWRGUYRKSA-N 2 1 237.351 0.478 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925709820 634407126 /nfs/dbraw/zinc/40/71/26/634407126.db2.gz OQSZEMMZXFNCAA-ZXZMWMBJSA-N 2 1 210.321 0.343 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716576 634448727 /nfs/dbraw/zinc/44/87/27/634448727.db2.gz AJUJMBSUYJVSBI-SRVKXCTJSA-N 2 1 223.364 0.940 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925719418 634455854 /nfs/dbraw/zinc/45/58/54/634455854.db2.gz ROQLVSUIIVTNCU-VZKILSJISA-N 2 1 235.375 0.667 20 0 BCADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215673 634458815 /nfs/dbraw/zinc/45/88/15/634458815.db2.gz KWFTUUICERKPAX-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257712260 634478192 /nfs/dbraw/zinc/47/81/92/634478192.db2.gz TVPFLUUUKQIVCI-GFCCVEGCSA-N 3 1 223.364 0.671 20 0 BCADMP C[NH2+]CCCN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000108362724 634483313 /nfs/dbraw/zinc/48/33/13/634483313.db2.gz QKYCFMCQRKWCAR-GFCCVEGCSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257794754 634500761 /nfs/dbraw/zinc/50/07/61/634500761.db2.gz RZUGAEHVYSOUQJ-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236872143 634514710 /nfs/dbraw/zinc/51/47/10/634514710.db2.gz XRLSELDWDUPUBQ-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256790 635468950 /nfs/dbraw/zinc/46/89/50/635468950.db2.gz MBXBAMCLOBOTPZ-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cncn1 ZINC000925835379 635489730 /nfs/dbraw/zinc/48/97/30/635489730.db2.gz OLEXGGHFILNAQB-FUNVUKJBSA-N 2 1 249.362 0.598 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925841228 635506983 /nfs/dbraw/zinc/50/69/83/635506983.db2.gz ZQFKKKJSTQAAJO-AXFHLTTASA-N 2 1 225.336 0.243 20 0 BCADMP CN(C[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000234337017 635554426 /nfs/dbraw/zinc/55/44/26/635554426.db2.gz VLQMYTAMUGUPPC-DGCLKSJQSA-N 2 1 223.364 0.907 20 0 BCADMP C[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925876104 635599618 /nfs/dbraw/zinc/59/96/18/635599618.db2.gz XGTVINFNRHRBNJ-WOPDTQHZSA-N 2 1 228.336 0.522 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880408 635609262 /nfs/dbraw/zinc/60/92/62/635609262.db2.gz RDGZQYNQTABQBK-WHOHXGKFSA-N 3 1 211.353 0.844 20 0 BCADMP COC[C@H]1COCCN1CCn1cc[nH+]c1C ZINC000933330923 631263765 /nfs/dbraw/zinc/26/37/65/631263765.db2.gz KGMXRIGRSDJXCO-LBPRGKRZSA-N 2 1 239.319 0.539 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCn2cnnc2C1 ZINC000081526133 631392291 /nfs/dbraw/zinc/39/22/91/631392291.db2.gz CXOAFBOKIIIXNY-UHFFFAOYSA-N 2 1 223.324 0.613 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000082560945 631408203 /nfs/dbraw/zinc/40/82/03/631408203.db2.gz MZJATYTWPPRUOV-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000082560945 631408208 /nfs/dbraw/zinc/40/82/08/631408208.db2.gz MZJATYTWPPRUOV-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000082560945 631408213 /nfs/dbraw/zinc/40/82/13/631408213.db2.gz MZJATYTWPPRUOV-NEPJUHHUSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)CO ZINC000926207887 631434385 /nfs/dbraw/zinc/43/43/85/631434385.db2.gz XAMOGMUPSPTCAY-JTQLQIEISA-N 2 1 225.336 0.959 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790485 631462701 /nfs/dbraw/zinc/46/27/01/631462701.db2.gz LBAWTEISVDKCOE-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790485 631462709 /nfs/dbraw/zinc/46/27/09/631462709.db2.gz LBAWTEISVDKCOE-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733440 631495186 /nfs/dbraw/zinc/49/51/86/631495186.db2.gz JJAHRNRAHPZFFM-MDZLAQPJSA-N 2 1 238.331 0.576 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733440 631495188 /nfs/dbraw/zinc/49/51/88/631495188.db2.gz JJAHRNRAHPZFFM-MDZLAQPJSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733440 631495191 /nfs/dbraw/zinc/49/51/91/631495191.db2.gz JJAHRNRAHPZFFM-MDZLAQPJSA-N 2 1 238.331 0.576 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000933733440 631495195 /nfs/dbraw/zinc/49/51/95/631495195.db2.gz JJAHRNRAHPZFFM-MDZLAQPJSA-N 2 1 238.331 0.576 20 0 BCADMP CC[N@@H+](CCC(=O)NC)CCn1cc[nH+]c1C ZINC000933862695 631534131 /nfs/dbraw/zinc/53/41/31/631534131.db2.gz MEVLEHXLDUVTCC-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CC[N@H+](CCC(=O)NC)CCn1cc[nH+]c1C ZINC000933862695 631534139 /nfs/dbraw/zinc/53/41/39/631534139.db2.gz MEVLEHXLDUVTCC-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP OC[C@H]1CC[N@H+]1CCCCC[NH+]1CC[C@H]1CO ZINC000934016093 631610881 /nfs/dbraw/zinc/61/08/81/631610881.db2.gz DYPOZGMMIXEUJK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@H]1CO ZINC000934016093 631610887 /nfs/dbraw/zinc/61/08/87/631610887.db2.gz DYPOZGMMIXEUJK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@H]1CC[NH+]1CCCCC[N@H+]1CC[C@H]1CO ZINC000934016093 631610896 /nfs/dbraw/zinc/61/08/96/631610896.db2.gz DYPOZGMMIXEUJK-BETUJISGSA-N 2 1 242.363 0.290 20 0 BCADMP C[N@H+]1CCN(C(=O)NC/C=C/C[NH3+])CC1(C)C ZINC000892122363 631735638 /nfs/dbraw/zinc/73/56/38/631735638.db2.gz NHMKDYOSZXKTPP-SNAWJCMRSA-N 2 1 240.351 0.237 20 0 BCADMP Cl/C=C\C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000308970705 631774696 /nfs/dbraw/zinc/77/46/96/631774696.db2.gz PEMGGVPPVYQXMI-NNRVYMOVSA-N 2 1 229.755 0.718 20 0 BCADMP CC[NH2+]CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000044647447 631819195 /nfs/dbraw/zinc/81/91/95/631819195.db2.gz WYRHQIKEFCMFHU-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004790 631904053 /nfs/dbraw/zinc/90/40/53/631904053.db2.gz ZUGSSHGJPPXZJF-WDEREUQCSA-N 2 1 242.367 0.477 20 0 BCADMP CC(C)[N@@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000308841165 631904792 /nfs/dbraw/zinc/90/47/92/631904792.db2.gz YHFNGLFBUJEAAL-JTQLQIEISA-N 2 1 212.341 0.654 20 0 BCADMP CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CCC[N@H+]1C ZINC000309167656 631926010 /nfs/dbraw/zinc/92/60/10/631926010.db2.gz ABKNWAOSAUZZIC-VHSXEESVSA-N 2 1 235.322 0.995 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CC(OC)OC)C1 ZINC000161419064 632014483 /nfs/dbraw/zinc/01/44/83/632014483.db2.gz ZNIJRDBEBIQSGS-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(OC)OC)C1 ZINC000161419064 632014494 /nfs/dbraw/zinc/01/44/94/632014494.db2.gz ZNIJRDBEBIQSGS-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(OC)OC)C1 ZINC000161419064 632014502 /nfs/dbraw/zinc/01/45/02/632014502.db2.gz ZNIJRDBEBIQSGS-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(OC)OC)C1 ZINC000161419064 632014509 /nfs/dbraw/zinc/01/45/09/632014509.db2.gz ZNIJRDBEBIQSGS-NSHDSACASA-N 2 1 230.352 0.879 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250615808 635699894 /nfs/dbraw/zinc/69/98/94/635699894.db2.gz ILURUOMDZPQLPV-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250532127 635700201 /nfs/dbraw/zinc/70/02/01/635700201.db2.gz SAEDQINCRXTDAA-QJPTWQEYSA-N 2 1 230.352 0.443 20 0 BCADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924526189 632680443 /nfs/dbraw/zinc/68/04/43/632680443.db2.gz IQEGSXVZCUBMNM-SNVBAGLBSA-N 2 1 241.379 0.688 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000309982519 632689411 /nfs/dbraw/zinc/68/94/11/632689411.db2.gz CHNTTXHAFYOESP-STQMWFEESA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310135445 632702721 /nfs/dbraw/zinc/70/27/21/632702721.db2.gz BJXDTNWMZGYWDA-NWDGAFQWSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000309206874 632813224 /nfs/dbraw/zinc/81/32/24/632813224.db2.gz COLKMAJHNNVKRW-SECBINFHSA-N 2 1 223.324 0.374 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000066244978 632859454 /nfs/dbraw/zinc/85/94/54/632859454.db2.gz HZSFGNOHIBUONF-SNVBAGLBSA-N 2 1 228.340 0.021 20 0 BCADMP CCNC(NCCC[N@@H+](C)CCOC)=[NH+]CC ZINC000066245510 632862030 /nfs/dbraw/zinc/86/20/30/632862030.db2.gz RJTVUXYEUSVOMS-UHFFFAOYSA-N 2 1 244.383 0.530 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000309429547 633058895 /nfs/dbraw/zinc/05/88/95/633058895.db2.gz FWMQKIBEOAQNMJ-NWDGAFQWSA-N 2 1 226.320 0.335 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000309429547 633058900 /nfs/dbraw/zinc/05/89/00/633058900.db2.gz FWMQKIBEOAQNMJ-NWDGAFQWSA-N 2 1 226.320 0.335 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000309429545 633059726 /nfs/dbraw/zinc/05/97/26/633059726.db2.gz FWMQKIBEOAQNMJ-NEPJUHHUSA-N 2 1 226.320 0.335 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000309429545 633059729 /nfs/dbraw/zinc/05/97/29/633059729.db2.gz FWMQKIBEOAQNMJ-NEPJUHHUSA-N 2 1 226.320 0.335 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000928430264 635912498 /nfs/dbraw/zinc/91/24/98/635912498.db2.gz VNGARZGUWMLPED-DCAQKATOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000928430264 635912501 /nfs/dbraw/zinc/91/25/01/635912501.db2.gz VNGARZGUWMLPED-DCAQKATOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000928430264 635912504 /nfs/dbraw/zinc/91/25/04/635912504.db2.gz VNGARZGUWMLPED-DCAQKATOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000928430264 635912507 /nfs/dbraw/zinc/91/25/07/635912507.db2.gz VNGARZGUWMLPED-DCAQKATOSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000928429997 635913743 /nfs/dbraw/zinc/91/37/43/635913743.db2.gz FAWKZRDLHGACPA-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000928429997 635913748 /nfs/dbraw/zinc/91/37/48/635913748.db2.gz FAWKZRDLHGACPA-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000928429997 635913752 /nfs/dbraw/zinc/91/37/52/635913752.db2.gz FAWKZRDLHGACPA-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000928432308 635919572 /nfs/dbraw/zinc/91/95/72/635919572.db2.gz DVFHLNCBBCDKIS-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000928432308 635919576 /nfs/dbraw/zinc/91/95/76/635919576.db2.gz DVFHLNCBBCDKIS-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310135444 636006042 /nfs/dbraw/zinc/00/60/42/636006042.db2.gz BJXDTNWMZGYWDA-NEPJUHHUSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)C1CCC1 ZINC000928555100 636092785 /nfs/dbraw/zinc/09/27/85/636092785.db2.gz SITZWDLOKWMOBI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)C1CCC1 ZINC000928555100 636092792 /nfs/dbraw/zinc/09/27/92/636092792.db2.gz SITZWDLOKWMOBI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)C1CCC1 ZINC000928555100 636092796 /nfs/dbraw/zinc/09/27/96/636092796.db2.gz SITZWDLOKWMOBI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)C1CCC1 ZINC000928555100 636092800 /nfs/dbraw/zinc/09/28/00/636092800.db2.gz SITZWDLOKWMOBI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000928558526 636099406 /nfs/dbraw/zinc/09/94/06/636099406.db2.gz WZUJKZMEBMROMG-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000928558526 636099409 /nfs/dbraw/zinc/09/94/09/636099409.db2.gz WZUJKZMEBMROMG-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000928558526 636099415 /nfs/dbraw/zinc/09/94/15/636099415.db2.gz WZUJKZMEBMROMG-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000928558526 636099420 /nfs/dbraw/zinc/09/94/20/636099420.db2.gz WZUJKZMEBMROMG-NWDGAFQWSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000928558528 636099680 /nfs/dbraw/zinc/09/96/80/636099680.db2.gz WZUJKZMEBMROMG-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000928558528 636099682 /nfs/dbraw/zinc/09/96/82/636099682.db2.gz WZUJKZMEBMROMG-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000928558528 636099684 /nfs/dbraw/zinc/09/96/84/636099684.db2.gz WZUJKZMEBMROMG-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000928558528 636099685 /nfs/dbraw/zinc/09/96/85/636099685.db2.gz WZUJKZMEBMROMG-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](CC)CC ZINC000928562198 636110338 /nfs/dbraw/zinc/11/03/38/636110338.db2.gz GZMUWOBATYBMDS-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](CC)CC ZINC000928562198 636110342 /nfs/dbraw/zinc/11/03/42/636110342.db2.gz GZMUWOBATYBMDS-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](COC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328464852 633767814 /nfs/dbraw/zinc/76/78/14/633767814.db2.gz WPNKDLQAJYLRBC-NURVWSNCSA-N 2 1 224.348 0.997 20 0 BCADMP CC(C)C[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328547271 633773323 /nfs/dbraw/zinc/77/33/23/633773323.db2.gz ORQDKMFZJZFEEG-XNBXPENISA-N 2 1 238.375 0.979 20 0 BCADMP C1CC1[N@H+]1CC[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328509069 633774294 /nfs/dbraw/zinc/77/42/94/633774294.db2.gz ZTOGLUPRUVEGTC-UBHGWVTLSA-N 2 1 247.386 0.809 20 0 BCADMP C(COCC1CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328569309 633778813 /nfs/dbraw/zinc/77/88/13/633778813.db2.gz QGKZAYOSUVOLKF-MEBFFEOJSA-N 2 1 236.359 0.999 20 0 BCADMP C(COCC1CC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328569312 633779410 /nfs/dbraw/zinc/77/94/10/633779410.db2.gz QGKZAYOSUVOLKF-YHQUGGNUSA-N 2 1 236.359 0.999 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328570405 633779465 /nfs/dbraw/zinc/77/94/65/633779465.db2.gz ROQLVSUIIVTNCU-VPCRRHSYSA-N 2 1 235.375 0.667 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925506222 633838341 /nfs/dbraw/zinc/83/83/41/633838341.db2.gz YDOQLTKLJUZIAU-SNVBAGLBSA-N 2 1 239.363 0.762 20 0 BCADMP CO[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291109 633883415 /nfs/dbraw/zinc/88/34/15/633883415.db2.gz VTVMGQVBHWOWBJ-RYUDHWBXSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291109 633883421 /nfs/dbraw/zinc/88/34/21/633883421.db2.gz VTVMGQVBHWOWBJ-RYUDHWBXSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309291109 633883422 /nfs/dbraw/zinc/88/34/22/633883422.db2.gz VTVMGQVBHWOWBJ-RYUDHWBXSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309291109 633883427 /nfs/dbraw/zinc/88/34/27/633883427.db2.gz VTVMGQVBHWOWBJ-RYUDHWBXSA-N 2 1 232.368 0.654 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000309982517 634026595 /nfs/dbraw/zinc/02/65/95/634026595.db2.gz CHNTTXHAFYOESP-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309854125 634031064 /nfs/dbraw/zinc/03/10/64/634031064.db2.gz JVLXHWZWFXBPOR-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309984567 634031708 /nfs/dbraw/zinc/03/17/08/634031708.db2.gz CAJJCKJMKDTWEV-YNEHKIRRSA-N 2 1 242.363 0.146 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558324 634033777 /nfs/dbraw/zinc/03/37/77/634033777.db2.gz SYWWMOKYMBSRQO-RYUDHWBXSA-N 2 1 241.379 0.437 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557686 634033493 /nfs/dbraw/zinc/03/34/93/634033493.db2.gz PXVRLAMLUDVDEG-STQMWFEESA-N 2 1 239.363 0.049 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000309982516 634057943 /nfs/dbraw/zinc/05/79/43/634057943.db2.gz CHNTTXHAFYOESP-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@H]1O ZINC000310035219 634097634 /nfs/dbraw/zinc/09/76/34/634097634.db2.gz OJDIMDHSVAMBGI-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@H]1O ZINC000310035219 634097642 /nfs/dbraw/zinc/09/76/42/634097642.db2.gz OJDIMDHSVAMBGI-JHJVBQTASA-N 2 1 242.363 0.146 20 0 BCADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000310552628 634161356 /nfs/dbraw/zinc/16/13/56/634161356.db2.gz VANFEJNNSSRBGM-STQMWFEESA-N 2 1 242.363 0.194 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000925642082 634189131 /nfs/dbraw/zinc/18/91/31/634189131.db2.gz DSVMFXZFYJNZLX-SNVBAGLBSA-N 2 1 212.337 0.879 20 0 BCADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925646740 634202306 /nfs/dbraw/zinc/20/23/06/634202306.db2.gz VOOOMEUBBZCSOP-GUBZILKMSA-N 2 1 212.337 0.876 20 0 BCADMP C1[NH2+][C@H]2[C@H]([NH2+][C@H]3CCCOC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925667171 634242390 /nfs/dbraw/zinc/24/23/90/634242390.db2.gz AGRGWTDOZABGIC-LIBFEPKXSA-N 2 1 222.332 0.751 20 0 BCADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925671650 634255821 /nfs/dbraw/zinc/25/58/21/634255821.db2.gz DYGKRKCGURYNHD-RSXHZNKKSA-N 2 1 222.332 0.750 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925674850 634259496 /nfs/dbraw/zinc/25/94/96/634259496.db2.gz DELRBNNZSPFQBD-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925674851 634260569 /nfs/dbraw/zinc/26/05/69/634260569.db2.gz DELRBNNZSPFQBD-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP Cn1ncc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925677410 634270945 /nfs/dbraw/zinc/27/09/45/634270945.db2.gz PJWCRUROSVIPDV-NSHDSACASA-N 2 1 237.351 0.478 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000925684831 634294872 /nfs/dbraw/zinc/29/48/72/634294872.db2.gz JFAXAHFRFBXWSM-UMNHJUIQSA-N 2 1 225.336 0.385 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000925686883 634298412 /nfs/dbraw/zinc/29/84/12/634298412.db2.gz ZDWDWFMPEWQBAY-JOYOIKCWSA-N 2 1 225.336 0.385 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925690940 634316290 /nfs/dbraw/zinc/31/62/90/634316290.db2.gz IENNUTNNGKKLEM-TUAOUCFPSA-N 2 1 223.364 0.846 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925691853 634320760 /nfs/dbraw/zinc/32/07/60/634320760.db2.gz NFLQTKHCWMZHKV-LBPRGKRZSA-N 3 1 240.395 0.012 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694336 634337441 /nfs/dbraw/zinc/33/74/41/634337441.db2.gz SZGFGKKZTBIOKH-NWDGAFQWSA-N 2 1 223.364 0.846 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925695200 634339602 /nfs/dbraw/zinc/33/96/02/634339602.db2.gz UHERTANBWWVNED-WFQJECDVSA-N 2 1 235.375 0.572 20 0 BCADMP C[C@H]1NCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699977 634367798 /nfs/dbraw/zinc/36/77/98/634367798.db2.gz QTHSEVWPWKESRL-PWSUYJOCSA-N 2 1 209.337 0.636 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000925699977 634367800 /nfs/dbraw/zinc/36/78/00/634367800.db2.gz QTHSEVWPWKESRL-PWSUYJOCSA-N 3 1 209.337 0.636 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925700078 634367811 /nfs/dbraw/zinc/36/78/11/634367811.db2.gz RKNNRBRIWPLZAC-MRVPVSSYSA-N 2 1 219.279 0.455 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000857107464 634376034 /nfs/dbraw/zinc/37/60/34/634376034.db2.gz WAXLDMVUZZASTI-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814554 635377989 /nfs/dbraw/zinc/37/79/89/635377989.db2.gz NGAKJGJXKGLGDZ-MWLCHTKSSA-N 2 1 248.330 0.312 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814650 635378627 /nfs/dbraw/zinc/37/86/27/635378627.db2.gz NTNKOUUQTFERON-VWYCJHECSA-N 2 1 221.304 0.822 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000310498194 636190329 /nfs/dbraw/zinc/19/03/29/636190329.db2.gz IRELPAYIVZEDLH-NSHDSACASA-N 2 1 243.351 0.936 20 0 BCADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042543897 637280269 /nfs/dbraw/zinc/28/02/69/637280269.db2.gz SCLIBCJPGXYPDB-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCON)[C@H](C)C1 ZINC000902419717 637302776 /nfs/dbraw/zinc/30/27/76/637302776.db2.gz JSCIXWHMNKCZPG-MNOVXSKESA-N 2 1 215.341 0.587 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463858 637364328 /nfs/dbraw/zinc/36/43/28/637364328.db2.gz PTGVPHYNCMVDCW-MXWKQRLJSA-N 2 1 212.337 0.687 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903463873 637364444 /nfs/dbraw/zinc/36/44/44/637364444.db2.gz QOHZDTFJGTYFFP-AXFHLTTASA-N 2 1 212.337 0.959 20 0 BCADMP COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463689 637364902 /nfs/dbraw/zinc/36/49/02/637364902.db2.gz JBBKWMBNDFUGEJ-SCVCMEIPSA-N 2 1 246.326 0.995 20 0 BCADMP C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903463731 637365086 /nfs/dbraw/zinc/36/50/86/637365086.db2.gz KTBXKARQRXLCIF-CHWSQXEVSA-N 2 1 239.363 0.145 20 0 BCADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566036 637370695 /nfs/dbraw/zinc/37/06/95/637370695.db2.gz HQKKPGANQQKEGB-LBPRGKRZSA-N 2 1 238.335 0.532 20 0 BCADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CCC(N)=O ZINC000903577748 637373105 /nfs/dbraw/zinc/37/31/05/637373105.db2.gz UFHULYKODWLVBC-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP C([NH2+][C@H]1COC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000904476276 637425552 /nfs/dbraw/zinc/42/55/52/637425552.db2.gz PGMJUJISPUVEAT-FHQIDYJMSA-N 2 1 222.332 0.753 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905084241 637583279 /nfs/dbraw/zinc/58/32/79/637583279.db2.gz YDXYTIKFIFHBDR-LLVKDONJSA-N 2 1 239.319 0.057 20 0 BCADMP [NH3+]C1(c2noc(CC[C@@H]3CCC[NH2+]3)n2)CC1 ZINC000905323282 637748019 /nfs/dbraw/zinc/74/80/19/637748019.db2.gz BBCNQVXCCRTXTJ-QMMMGPOBSA-N 2 1 222.292 0.702 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905323661 637750639 /nfs/dbraw/zinc/75/06/39/637750639.db2.gz HELOCCCJSYTLSK-YUMQZZPRSA-N 2 1 222.292 0.873 20 0 BCADMP CCO[C@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+](C)C ZINC000905580750 637854056 /nfs/dbraw/zinc/85/40/56/637854056.db2.gz PHNIBFMCJFRGEI-VXGBXAGGSA-N 2 1 230.352 0.314 20 0 BCADMP CCC[C@@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905585711 637855058 /nfs/dbraw/zinc/85/50/58/637855058.db2.gz AITSJCNQWVXHOD-OLZOCXBDSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905585711 637855061 /nfs/dbraw/zinc/85/50/61/637855061.db2.gz AITSJCNQWVXHOD-OLZOCXBDSA-N 2 1 244.379 0.582 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000905689490 637882961 /nfs/dbraw/zinc/88/29/61/637882961.db2.gz ARWXIABBWKRXAE-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000905689490 637882970 /nfs/dbraw/zinc/88/29/70/637882970.db2.gz ARWXIABBWKRXAE-QWHCGFSZSA-N 2 1 242.363 0.192 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000906092067 638049360 /nfs/dbraw/zinc/04/93/60/638049360.db2.gz HBHGNFNBJYGIBF-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC000906508284 638178997 /nfs/dbraw/zinc/17/89/97/638178997.db2.gz KTMBDSLRAOOPQV-MGCOHNPYSA-N 2 1 216.288 0.914 20 0 BCADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508291 638179835 /nfs/dbraw/zinc/17/98/35/638179835.db2.gz LHMWWEZVCDOKFW-MGCOHNPYSA-N 2 1 208.309 0.616 20 0 BCADMP C[C@@H](O)c1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906510428 638184088 /nfs/dbraw/zinc/18/40/88/638184088.db2.gz IMELDRJIZSPPTI-JECWYVHBSA-N 2 1 227.333 0.776 20 0 BCADMP [NH3+]C1CC(NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000906511441 638184366 /nfs/dbraw/zinc/18/43/66/638184366.db2.gz SWXSBPZDZIFQPV-UHFFFAOYSA-N 2 1 231.343 0.912 20 0 BCADMP [NH3+][C@H]1C[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000906518902 638188376 /nfs/dbraw/zinc/18/83/76/638188376.db2.gz UMEQJHZTDMARCB-JOCQHMNTSA-N 2 1 231.343 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000906640877 638225759 /nfs/dbraw/zinc/22/57/59/638225759.db2.gz UBOUBFJEWQGQPD-NSHDSACASA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000907519795 638401062 /nfs/dbraw/zinc/40/10/62/638401062.db2.gz QLFXRXROCMKKQC-UHFFFAOYSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)CO)C2)CC1 ZINC000930310343 639695302 /nfs/dbraw/zinc/69/53/02/639695302.db2.gz FRPIOWDQFVHYQX-LBPRGKRZSA-N 2 1 242.363 0.147 20 0 BCADMP C[C@@H](O)[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310825 639696726 /nfs/dbraw/zinc/69/67/26/639696726.db2.gz PWRLKTDREJZLNV-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310825 639696729 /nfs/dbraw/zinc/69/67/29/639696729.db2.gz PWRLKTDREJZLNV-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+]CCCNC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000911676905 639718045 /nfs/dbraw/zinc/71/80/45/639718045.db2.gz ODASZPYYAMKCQS-SSDOTTSWSA-N 2 1 242.348 0.502 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672063 711474453 /nfs/dbraw/zinc/47/44/53/711474453.db2.gz GANSASAYGXPONF-QWRGUYRKSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461391 639762900 /nfs/dbraw/zinc/76/29/00/639762900.db2.gz VXCOWRSEHALIJF-UVYIHGJDSA-N 2 1 242.363 0.285 20 0 BCADMP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCC[NH2+]2)s1 ZINC000911756014 639771732 /nfs/dbraw/zinc/77/17/32/639771732.db2.gz WIDSJIPEMBPNCN-SSDOTTSWSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750982 639776656 /nfs/dbraw/zinc/77/66/56/639776656.db2.gz HJUDXEBLCVRYIG-RYUDHWBXSA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911751266 639776937 /nfs/dbraw/zinc/77/69/37/639776937.db2.gz VDDBFAKJFODQNE-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911731372 639786728 /nfs/dbraw/zinc/78/67/28/639786728.db2.gz UWDZUEDONHMGIC-QWRGUYRKSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761813 639802614 /nfs/dbraw/zinc/80/26/14/639802614.db2.gz IMBOSBOELRQTMR-QMMMGPOBSA-N 2 1 224.308 0.442 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911814897 639803565 /nfs/dbraw/zinc/80/35/65/639803565.db2.gz VWEOWINTGSZOPM-WDEREUQCSA-N 2 1 227.352 0.665 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000930543812 639808031 /nfs/dbraw/zinc/80/80/31/639808031.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2CCN(C[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000930543812 639808035 /nfs/dbraw/zinc/80/80/35/639808035.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2CCN(C[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000930543812 639808041 /nfs/dbraw/zinc/80/80/41/639808041.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 2 1 223.364 0.717 20 0 BCADMP CC[C@H](CO)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930560003 639811490 /nfs/dbraw/zinc/81/14/90/639811490.db2.gz XWWUXUOSXGOKEV-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](CO)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930560003 639811492 /nfs/dbraw/zinc/81/14/92/639811492.db2.gz XWWUXUOSXGOKEV-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](CO)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930560003 639811493 /nfs/dbraw/zinc/81/14/93/639811493.db2.gz XWWUXUOSXGOKEV-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911828091 639838825 /nfs/dbraw/zinc/83/88/25/639838825.db2.gz YYCAJMKIUZZTMG-NEPJUHHUSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911828094 639839859 /nfs/dbraw/zinc/83/98/59/639839859.db2.gz YYCAJMKIUZZTMG-VXGBXAGGSA-N 2 1 241.379 0.959 20 0 BCADMP [NH3+]Cc1ncc(C(=O)N[C@H](C[NH3+])C2CC2)s1 ZINC000911835865 639847481 /nfs/dbraw/zinc/84/74/81/639847481.db2.gz VHXIHCGFNKHMSY-SSDOTTSWSA-N 2 1 240.332 0.069 20 0 BCADMP CCO[C@@H]1COC[C@H]1NCc1[nH]c(C)nc1C ZINC000930660785 639850500 /nfs/dbraw/zinc/85/05/00/639850500.db2.gz PVBHAWJLRWOYEE-VXGBXAGGSA-N 2 1 239.319 0.920 20 0 BCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCF ZINC000912303572 640022563 /nfs/dbraw/zinc/02/25/63/640022563.db2.gz LEMGPEKGNGJBCU-NSHDSACASA-N 2 1 247.358 0.734 20 0 BCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCF ZINC000912303572 640022565 /nfs/dbraw/zinc/02/25/65/640022565.db2.gz LEMGPEKGNGJBCU-NSHDSACASA-N 2 1 247.358 0.734 20 0 BCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1CCc1c[nH+]cn1C ZINC000931036142 640032029 /nfs/dbraw/zinc/03/20/29/640032029.db2.gz CEUHXCNMUGVTBF-YPMHNXCESA-N 2 1 236.363 0.987 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931067583 640057289 /nfs/dbraw/zinc/05/72/89/640057289.db2.gz QTVNLFVLRMVELC-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](CO)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931067583 640057294 /nfs/dbraw/zinc/05/72/94/640057294.db2.gz QTVNLFVLRMVELC-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](CO)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076585 640059396 /nfs/dbraw/zinc/05/93/96/640059396.db2.gz UHAWBRHYIXTFIM-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931276693 640124579 /nfs/dbraw/zinc/12/45/79/640124579.db2.gz BQCDKCMNMBNUSC-NNYUYHANSA-N 2 1 212.337 0.903 20 0 BCADMP CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931276693 640124586 /nfs/dbraw/zinc/12/45/86/640124586.db2.gz BQCDKCMNMBNUSC-NNYUYHANSA-N 2 1 212.337 0.903 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCNC3=O)C[C@H]21 ZINC000931277813 640128542 /nfs/dbraw/zinc/12/85/42/640128542.db2.gz QIBSODIGQCVVSY-NNYUYHANSA-N 2 1 237.347 0.004 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCNC3=O)C[C@H]21 ZINC000931277813 640128551 /nfs/dbraw/zinc/12/85/51/640128551.db2.gz QIBSODIGQCVVSY-NNYUYHANSA-N 2 1 237.347 0.004 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000931278951 640131133 /nfs/dbraw/zinc/13/11/33/640131133.db2.gz SEPGJMIJDKIWJW-ITGUQSILSA-N 2 1 224.348 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000931278951 640131141 /nfs/dbraw/zinc/13/11/41/640131141.db2.gz SEPGJMIJDKIWJW-ITGUQSILSA-N 2 1 224.348 0.905 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285728 640136148 /nfs/dbraw/zinc/13/61/48/640136148.db2.gz OHVNUKYUEHBYIF-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285728 640136157 /nfs/dbraw/zinc/13/61/57/640136157.db2.gz OHVNUKYUEHBYIF-GFCCVEGCSA-N 2 1 242.363 0.554 20 0 BCADMP OCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288519 640137451 /nfs/dbraw/zinc/13/74/51/640137451.db2.gz MNAORAFBVQAYCX-UHFFFAOYSA-N 2 1 242.363 0.556 20 0 BCADMP OCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288519 640137457 /nfs/dbraw/zinc/13/74/57/640137457.db2.gz MNAORAFBVQAYCX-UHFFFAOYSA-N 2 1 242.363 0.556 20 0 BCADMP CNC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931307869 640143048 /nfs/dbraw/zinc/14/30/48/640143048.db2.gz MNZJTGKDRSVZKO-CHWSQXEVSA-N 2 1 239.363 0.396 20 0 BCADMP CN1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146554 /nfs/dbraw/zinc/14/65/54/640146554.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 1 237.347 0.149 20 0 BCADMP CN1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146557 /nfs/dbraw/zinc/14/65/57/640146557.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313289 640151483 /nfs/dbraw/zinc/15/14/83/640151483.db2.gz AHGMQSXKCQNCLS-RNJOBUHISA-N 2 1 242.363 0.002 20 0 BCADMP CC(=O)NCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350423 640166901 /nfs/dbraw/zinc/16/69/01/640166901.db2.gz JVVAXBTXSVWWOX-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433578 640201236 /nfs/dbraw/zinc/20/12/36/640201236.db2.gz CSIQCXWFCGKTDU-OUAUKWLOSA-N 2 1 224.304 0.185 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433578 640201248 /nfs/dbraw/zinc/20/12/48/640201248.db2.gz CSIQCXWFCGKTDU-OUAUKWLOSA-N 2 1 224.304 0.185 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433578 640201258 /nfs/dbraw/zinc/20/12/58/640201258.db2.gz CSIQCXWFCGKTDU-OUAUKWLOSA-N 2 1 224.304 0.185 20 0 BCADMP Cn1cnc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931436592 640201515 /nfs/dbraw/zinc/20/15/15/640201515.db2.gz IRSDOTXMVYIPHG-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cnc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931436592 640201520 /nfs/dbraw/zinc/20/15/20/640201520.db2.gz IRSDOTXMVYIPHG-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cnc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC000931436592 640201525 /nfs/dbraw/zinc/20/15/25/640201525.db2.gz IRSDOTXMVYIPHG-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cnc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931436592 640201533 /nfs/dbraw/zinc/20/15/33/640201533.db2.gz IRSDOTXMVYIPHG-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC000931433264 640201652 /nfs/dbraw/zinc/20/16/52/640201652.db2.gz VRTITFQUQMDXOM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC000931433264 640201655 /nfs/dbraw/zinc/20/16/55/640201655.db2.gz VRTITFQUQMDXOM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC000931433264 640201659 /nfs/dbraw/zinc/20/16/59/640201659.db2.gz VRTITFQUQMDXOM-UPJWGTAASA-N 2 1 224.348 0.906 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC000931434928 640202498 /nfs/dbraw/zinc/20/24/98/640202498.db2.gz BQCPWZZZAGHYKL-NEPJUHHUSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)COC3)C[C@@H]2C1 ZINC000931434928 640202507 /nfs/dbraw/zinc/20/25/07/640202507.db2.gz BQCPWZZZAGHYKL-NEPJUHHUSA-N 2 1 224.348 0.906 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)COC3)C[C@@H]2C1 ZINC000931434928 640202513 /nfs/dbraw/zinc/20/25/13/640202513.db2.gz BQCPWZZZAGHYKL-NEPJUHHUSA-N 2 1 224.348 0.906 20 0 BCADMP COC[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435176 640204105 /nfs/dbraw/zinc/20/41/05/640204105.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435176 640204106 /nfs/dbraw/zinc/20/41/06/640204106.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435176 640204112 /nfs/dbraw/zinc/20/41/12/640204112.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931470737 640228440 /nfs/dbraw/zinc/22/84/40/640228440.db2.gz HHUOIVLZGOCOMU-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000931470736 640229048 /nfs/dbraw/zinc/22/90/48/640229048.db2.gz HHUOIVLZGOCOMU-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902718 640244975 /nfs/dbraw/zinc/24/49/75/640244975.db2.gz IQRFBESBJUGXIM-NEPJUHHUSA-N 2 1 237.347 0.387 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903393 640245982 /nfs/dbraw/zinc/24/59/82/640245982.db2.gz KNRVWCWPQISEAC-GFCCVEGCSA-N 2 1 248.330 0.498 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903394 640246147 /nfs/dbraw/zinc/24/61/47/640246147.db2.gz KNRVWCWPQISEAC-LBPRGKRZSA-N 2 1 248.330 0.498 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044651690 640448666 /nfs/dbraw/zinc/44/86/66/640448666.db2.gz MNASCCLDJCHJMI-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164406871 640482564 /nfs/dbraw/zinc/48/25/64/640482564.db2.gz RDVMLUUHVAXUSF-YFKTTZPYSA-N 2 1 228.336 0.053 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932937978 640650367 /nfs/dbraw/zinc/65/03/67/640650367.db2.gz WOFANISLWISPPN-UHFFFAOYSA-N 2 1 248.330 0.674 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932937978 640650373 /nfs/dbraw/zinc/65/03/73/640650373.db2.gz WOFANISLWISPPN-UHFFFAOYSA-N 2 1 248.330 0.674 20 0 BCADMP CCc1nn(C)cc1C[NH2+]C1CC([NH3+])C1 ZINC000167856094 640758531 /nfs/dbraw/zinc/75/85/31/640758531.db2.gz HRFSZPWBNFNQNW-UHFFFAOYSA-N 2 1 208.309 0.562 20 0 BCADMP C[C@@H](CO)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737197 640759462 /nfs/dbraw/zinc/75/94/62/640759462.db2.gz LRCDKWHULDRCFL-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737197 640759466 /nfs/dbraw/zinc/75/94/66/640759466.db2.gz LRCDKWHULDRCFL-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@@H](CO)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737197 640759473 /nfs/dbraw/zinc/75/94/73/640759473.db2.gz LRCDKWHULDRCFL-GRYCIOLGSA-N 2 1 212.337 0.498 20 0 BCADMP COC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733620 640760065 /nfs/dbraw/zinc/76/00/65/640760065.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733620 640760072 /nfs/dbraw/zinc/76/00/72/640760072.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733620 640760077 /nfs/dbraw/zinc/76/00/77/640760077.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP COC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733620 640760082 /nfs/dbraw/zinc/76/00/82/640760082.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH2+]CC ZINC000226407250 640762815 /nfs/dbraw/zinc/76/28/15/640762815.db2.gz BDXNBNYLAGDZAR-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCCCO ZINC000226426204 640764266 /nfs/dbraw/zinc/76/42/66/640764266.db2.gz DRADVRPGYITMSL-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCCCO ZINC000226426204 640764268 /nfs/dbraw/zinc/76/42/68/640764268.db2.gz DRADVRPGYITMSL-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000168556805 640811837 /nfs/dbraw/zinc/81/18/37/640811837.db2.gz XCRSAKJKRMULPO-FXQIFTODSA-N 2 1 226.242 0.579 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000168556805 640811841 /nfs/dbraw/zinc/81/18/41/640811841.db2.gz XCRSAKJKRMULPO-FXQIFTODSA-N 2 1 226.242 0.579 20 0 BCADMP CCOCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228987838 640909962 /nfs/dbraw/zinc/90/99/62/640909962.db2.gz FTNAENCCEWSWIA-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988376 640909866 /nfs/dbraw/zinc/90/98/66/640909866.db2.gz YLNOVGLHTSDZBV-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988376 640909871 /nfs/dbraw/zinc/90/98/71/640909871.db2.gz YLNOVGLHTSDZBV-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257127 640939341 /nfs/dbraw/zinc/93/93/41/640939341.db2.gz OEDGSFOZYDSVSH-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP Cc1nn(C)c(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000087652140 640956854 /nfs/dbraw/zinc/95/68/54/640956854.db2.gz LHMWWEZVCDOKFW-UHFFFAOYSA-N 2 1 208.309 0.616 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063785 641011088 /nfs/dbraw/zinc/01/10/88/641011088.db2.gz WKKSMHLICHUMDT-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CCNC(=O)CC[NH2+]C(C)(C)C)C1CC1 ZINC000062010184 641014871 /nfs/dbraw/zinc/01/48/71/641014871.db2.gz DCKJNXBQXYLLQQ-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000087766633 641021761 /nfs/dbraw/zinc/02/17/61/641021761.db2.gz UTYFGDGUQAMLQQ-LLVKDONJSA-N 2 1 222.336 0.504 20 0 BCADMP CO[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000230315867 641047420 /nfs/dbraw/zinc/04/74/20/641047420.db2.gz HTKCLJAPZHEWCZ-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904276 641106668 /nfs/dbraw/zinc/10/66/68/641106668.db2.gz IPXRMUXOPLROKL-GFCCVEGCSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000063165786 641140618 /nfs/dbraw/zinc/14/06/18/641140618.db2.gz NBTIYRLNQCDNIX-SNVBAGLBSA-N 2 1 212.293 0.233 20 0 BCADMP C[N@H+](Cc1cnc(N)cn1)CC1CC[NH+](C)CC1 ZINC000231299735 641158285 /nfs/dbraw/zinc/15/82/85/641158285.db2.gz KXXJERUXSWEKHM-UHFFFAOYSA-N 2 1 249.362 0.832 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307943008 641199584 /nfs/dbraw/zinc/19/95/84/641199584.db2.gz QVVPKYPKTRISSR-HTQZYQBOSA-N 2 1 226.242 0.580 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976174 641511732 /nfs/dbraw/zinc/51/17/32/641511732.db2.gz JWORTDJPVJNNRY-NWDGAFQWSA-N 2 1 241.379 0.926 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000043497653 641565232 /nfs/dbraw/zinc/56/52/32/641565232.db2.gz GRMNZTUWHZBWDI-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031052809 641666174 /nfs/dbraw/zinc/66/61/74/641666174.db2.gz NXDYBFMURLDLMB-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000925408561 641668069 /nfs/dbraw/zinc/66/80/69/641668069.db2.gz QATZVGXGWFNWAX-WDEREUQCSA-N 2 1 240.351 0.036 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015705128 641882615 /nfs/dbraw/zinc/88/26/15/641882615.db2.gz IEJCNUGJEOOMCS-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015705128 641882620 /nfs/dbraw/zinc/88/26/20/641882620.db2.gz IEJCNUGJEOOMCS-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015705128 641882623 /nfs/dbraw/zinc/88/26/23/641882623.db2.gz IEJCNUGJEOOMCS-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971200249 642323672 /nfs/dbraw/zinc/32/36/72/642323672.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971200249 642323679 /nfs/dbraw/zinc/32/36/79/642323679.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971200249 642323686 /nfs/dbraw/zinc/32/36/86/642323686.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307930531 642348763 /nfs/dbraw/zinc/34/87/63/642348763.db2.gz BHOGBDRTFIGQOA-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307930531 642348770 /nfs/dbraw/zinc/34/87/70/642348770.db2.gz BHOGBDRTFIGQOA-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000307934280 642351164 /nfs/dbraw/zinc/35/11/64/642351164.db2.gz FSXWBHSWHKELPC-HLTSFMKQSA-N 2 1 240.269 0.969 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000307934280 642351171 /nfs/dbraw/zinc/35/11/71/642351171.db2.gz FSXWBHSWHKELPC-HLTSFMKQSA-N 2 1 240.269 0.969 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307945407 642353008 /nfs/dbraw/zinc/35/30/08/642353008.db2.gz YZGZZTLUHWYYPT-RKDXNWHRSA-N 2 1 240.269 0.841 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307945407 642353016 /nfs/dbraw/zinc/35/30/16/642353016.db2.gz YZGZZTLUHWYYPT-RKDXNWHRSA-N 2 1 240.269 0.841 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946090 642447709 /nfs/dbraw/zinc/44/77/09/642447709.db2.gz SVBYRDSUIVYEPN-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257711167 642508421 /nfs/dbraw/zinc/50/84/21/642508421.db2.gz SXQKSAUOXSKPMD-NEPJUHHUSA-N 2 1 210.321 0.851 20 0 BCADMP COCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000305963641 642715279 /nfs/dbraw/zinc/71/52/79/642715279.db2.gz XICSLKMQTLZEKY-WODVXLOZSA-N 2 1 242.363 0.599 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH3+] ZINC000237621239 642725278 /nfs/dbraw/zinc/72/52/78/642725278.db2.gz MKDIZQZIZDLCPA-UHFFFAOYSA-N 2 1 224.308 0.437 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069054620 642820458 /nfs/dbraw/zinc/82/04/58/642820458.db2.gz KGMDMWMPEZVAGN-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010384177 642861877 /nfs/dbraw/zinc/86/18/77/642861877.db2.gz KPNNNSZZMBUWAM-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010384177 642861874 /nfs/dbraw/zinc/86/18/74/642861874.db2.gz KPNNNSZZMBUWAM-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010384177 642861884 /nfs/dbraw/zinc/86/18/84/642861884.db2.gz KPNNNSZZMBUWAM-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CCS(=O)(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626426 642885864 /nfs/dbraw/zinc/88/58/64/642885864.db2.gz PBPVJIVKPVEOHS-LLVKDONJSA-N 2 1 248.392 0.482 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252215820 642887426 /nfs/dbraw/zinc/88/74/26/642887426.db2.gz XQLUPKBPDXGXOD-AXFHLTTASA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252215820 642887431 /nfs/dbraw/zinc/88/74/31/642887431.db2.gz XQLUPKBPDXGXOD-AXFHLTTASA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000252208576 642887514 /nfs/dbraw/zinc/88/75/14/642887514.db2.gz XPPADZHVTXIMON-UTUOFQBUSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000252208576 642887516 /nfs/dbraw/zinc/88/75/16/642887516.db2.gz XPPADZHVTXIMON-UTUOFQBUSA-N 2 1 211.353 0.763 20 0 BCADMP Cc1nonc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000069795602 642907563 /nfs/dbraw/zinc/90/75/63/642907563.db2.gz DCTASDNNVZGFMB-QMMMGPOBSA-N 2 1 224.308 0.937 20 0 BCADMP O=C(CN1CCCC1)N[C@H]1CCN(CCF)C1 ZINC001016250470 642953468 /nfs/dbraw/zinc/95/34/68/642953468.db2.gz CPIREDNJRMEXMZ-NSHDSACASA-N 2 1 243.326 0.242 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130961093 642995176 /nfs/dbraw/zinc/99/51/76/642995176.db2.gz MFYGTWGYBQNFQJ-LOWDOPEQSA-N 2 1 242.363 0.443 20 0 BCADMP CCNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000070946486 643086870 /nfs/dbraw/zinc/08/68/70/643086870.db2.gz UVSZEUJCNCAJMF-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976971 643147141 /nfs/dbraw/zinc/14/71/41/643147141.db2.gz UQGNMWQSFJVUDE-ZYHUDNBSSA-N 2 1 239.363 0.252 20 0 BCADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969409526 643168338 /nfs/dbraw/zinc/16/83/38/643168338.db2.gz CKHKDTULTUFSEW-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000925339213 643218286 /nfs/dbraw/zinc/21/82/86/643218286.db2.gz WWVFFOVDUCFBFV-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020589953 643222157 /nfs/dbraw/zinc/22/21/57/643222157.db2.gz IMWYFKIDEAGHCO-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000082248506 643283376 /nfs/dbraw/zinc/28/33/76/643283376.db2.gz ZPQCQDOLVLNLGE-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000082475511 643318753 /nfs/dbraw/zinc/31/87/53/643318753.db2.gz XLUOOJCSUMSVQS-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000082946414 643391024 /nfs/dbraw/zinc/39/10/24/643391024.db2.gz UTSICIVHWSYRDX-GFCCVEGCSA-N 2 1 212.337 0.642 20 0 BCADMP COCC[N@@H+](CCC[NH3+])C1CCOCC1 ZINC000068955279 643437628 /nfs/dbraw/zinc/43/76/28/643437628.db2.gz OZMZRSTVTLDKQD-UHFFFAOYSA-N 2 1 216.325 0.463 20 0 BCADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000050247464 643662731 /nfs/dbraw/zinc/66/27/31/643662731.db2.gz BVUGVAWUKMYOCU-LBPRGKRZSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000050247464 643662732 /nfs/dbraw/zinc/66/27/32/643662732.db2.gz BVUGVAWUKMYOCU-LBPRGKRZSA-N 2 1 241.379 0.912 20 0 BCADMP CCOC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869988 643824425 /nfs/dbraw/zinc/82/44/25/643824425.db2.gz SELFCLLEXVJDQC-UHFFFAOYSA-N 2 1 214.309 0.751 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870008 643824569 /nfs/dbraw/zinc/82/45/69/643824569.db2.gz FMCHCTAPODJBMQ-UHFFFAOYSA-N 2 1 227.352 0.713 20 0 BCADMP CCCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870016 643824627 /nfs/dbraw/zinc/82/46/27/643824627.db2.gz NJMGOQOOSQEVRL-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP CCO[C@H](C[NH2+]CC1CC1)C[NH+](C)C ZINC000922755894 644087759 /nfs/dbraw/zinc/08/77/59/644087759.db2.gz BUJGAGILNXQMGE-LLVKDONJSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277722 644309644 /nfs/dbraw/zinc/30/96/44/644309644.db2.gz RMTWBLNQLVDPIN-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277722 644309649 /nfs/dbraw/zinc/30/96/49/644309649.db2.gz RMTWBLNQLVDPIN-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279384 644311193 /nfs/dbraw/zinc/31/11/93/644311193.db2.gz NDBAFFPQVXRXIJ-CYBMUJFWSA-N 2 1 244.379 0.846 20 0 BCADMP N[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923278395 644312282 /nfs/dbraw/zinc/31/22/82/644312282.db2.gz SSXPHGINAQDLQR-HYWTVENDSA-N 2 1 223.364 0.940 20 0 BCADMP N[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923278395 644312287 /nfs/dbraw/zinc/31/22/87/644312287.db2.gz SSXPHGINAQDLQR-HYWTVENDSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923278395 644312289 /nfs/dbraw/zinc/31/22/89/644312289.db2.gz SSXPHGINAQDLQR-HYWTVENDSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923278395 644312294 /nfs/dbraw/zinc/31/22/94/644312294.db2.gz SSXPHGINAQDLQR-HYWTVENDSA-N 3 1 223.364 0.940 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282578 644318827 /nfs/dbraw/zinc/31/88/27/644318827.db2.gz VWEIZYOGXMNXIE-VXGBXAGGSA-N 2 1 230.352 0.301 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923287806 644320722 /nfs/dbraw/zinc/32/07/22/644320722.db2.gz GOSPJJPKHKBUIV-GMTAPVOTSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923287805 644321487 /nfs/dbraw/zinc/32/14/87/644321487.db2.gz GOSPJJPKHKBUIV-GARJFASQSA-N 2 1 232.393 0.770 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923290206 644322842 /nfs/dbraw/zinc/32/28/42/644322842.db2.gz VVUZPEXRICCANU-AGIUHOORSA-N 2 1 244.379 0.832 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294033 644329522 /nfs/dbraw/zinc/32/95/22/644329522.db2.gz DJUDPNMMFZHZHB-LLVKDONJSA-N 2 1 232.368 0.691 20 0 BCADMP C[N@@H+](C[C@@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294425 644332399 /nfs/dbraw/zinc/33/23/99/644332399.db2.gz LNSGXMUBWAWJGS-LLVKDONJSA-N 2 1 240.351 0.161 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923295363 644332654 /nfs/dbraw/zinc/33/26/54/644332654.db2.gz YWWBMPALEMOPCD-GFCCVEGCSA-N 2 1 246.395 0.937 20 0 BCADMP C[C@](CN)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295967 644333479 /nfs/dbraw/zinc/33/34/79/644333479.db2.gz LQSJXTVJQNJFRQ-NWDGAFQWSA-N 2 1 239.363 0.082 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296571 644336131 /nfs/dbraw/zinc/33/61/31/644336131.db2.gz IBSYAXRNOABWSI-BJDJZHNGSA-N 3 1 229.368 0.142 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296571 644336135 /nfs/dbraw/zinc/33/61/35/644336135.db2.gz IBSYAXRNOABWSI-BJDJZHNGSA-N 3 1 229.368 0.142 20 0 BCADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307626 644338320 /nfs/dbraw/zinc/33/83/20/644338320.db2.gz YRALWCZMKQMNME-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312374 644340040 /nfs/dbraw/zinc/34/00/40/644340040.db2.gz HNTRFGVFTRKGMI-WDEREUQCSA-N 2 1 210.321 0.849 20 0 BCADMP COC(C)(C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318110 644343834 /nfs/dbraw/zinc/34/38/34/644343834.db2.gz ICCUPZCCFDTGCP-NSHDSACASA-N 2 1 242.363 0.722 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315890 644344576 /nfs/dbraw/zinc/34/45/76/644344576.db2.gz MDVLRFHYULSDKN-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923316300 644345092 /nfs/dbraw/zinc/34/50/92/644345092.db2.gz NSTDFXACNUDWIK-NSHDSACASA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311893 644346219 /nfs/dbraw/zinc/34/62/19/644346219.db2.gz AMWRUVRGMYGSMS-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC000923310427 644346458 /nfs/dbraw/zinc/34/64/58/644346458.db2.gz VLHCJYPEVGXKQE-AVGNSLFASA-N 2 1 248.326 0.732 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCOc3ccccc3C2)C1 ZINC000923310427 644346463 /nfs/dbraw/zinc/34/64/63/644346463.db2.gz VLHCJYPEVGXKQE-AVGNSLFASA-N 2 1 248.326 0.732 20 0 BCADMP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923309681 644347257 /nfs/dbraw/zinc/34/72/57/644347257.db2.gz YWDHDNGNBVJXDR-DGORSVRFSA-N 2 1 228.336 0.336 20 0 BCADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)O1 ZINC000923309681 644347264 /nfs/dbraw/zinc/34/72/64/644347264.db2.gz YWDHDNGNBVJXDR-DGORSVRFSA-N 2 1 228.336 0.336 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331433 644349691 /nfs/dbraw/zinc/34/96/91/644349691.db2.gz KTSCMSVVXQBMFF-ZDUSSCGKSA-N 2 1 242.363 0.725 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923330424 644350182 /nfs/dbraw/zinc/35/01/82/644350182.db2.gz FDGUIVMZLUIRRA-RYUDHWBXSA-N 2 1 230.352 0.709 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330523 644350214 /nfs/dbraw/zinc/35/02/14/644350214.db2.gz AFZSRVACIOFGFJ-WCFLWFBJSA-N 3 1 223.364 0.798 20 0 BCADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330523 644350219 /nfs/dbraw/zinc/35/02/19/644350219.db2.gz AFZSRVACIOFGFJ-WCFLWFBJSA-N 3 1 223.364 0.798 20 0 BCADMP c1ncn(C[C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)n1 ZINC000923321486 644350282 /nfs/dbraw/zinc/35/02/82/644350282.db2.gz FXGBNKIZBAFTFO-CYBMUJFWSA-N 2 1 249.362 0.885 20 0 BCADMP c1ncn(C[C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)n1 ZINC000923321486 644350285 /nfs/dbraw/zinc/35/02/85/644350285.db2.gz FXGBNKIZBAFTFO-CYBMUJFWSA-N 2 1 249.362 0.885 20 0 BCADMP CC[N@H+](Cc1ccccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923322806 644352133 /nfs/dbraw/zinc/35/21/33/644352133.db2.gz OITFEBJNLHWREO-DRZSPHRISA-N 2 1 235.331 0.754 20 0 BCADMP CC[N@@H+](Cc1ccccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923322806 644352140 /nfs/dbraw/zinc/35/21/40/644352140.db2.gz OITFEBJNLHWREO-DRZSPHRISA-N 2 1 235.331 0.754 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923333998 644353740 /nfs/dbraw/zinc/35/37/40/644353740.db2.gz FBOYKKGLOSSLFQ-WDEREUQCSA-N 2 1 232.393 0.784 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923332773 644353959 /nfs/dbraw/zinc/35/39/59/644353959.db2.gz NHRQUHHHSQAJLR-RVMXOQNASA-N 2 1 242.363 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923333737 644354758 /nfs/dbraw/zinc/35/47/58/644354758.db2.gz RYBKWALXXIDWSI-USZNOCQGSA-N 2 1 244.404 0.770 20 0 BCADMP CC[N@@H+](C[C@@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336550 644357099 /nfs/dbraw/zinc/35/70/99/644357099.db2.gz UPAGZVHYKBUJSU-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923332026 644361156 /nfs/dbraw/zinc/36/11/56/644361156.db2.gz OFGQGSZGSCZBCX-UPJWGTAASA-N 2 1 244.379 0.832 20 0 BCADMP COC[C@@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352851 644369765 /nfs/dbraw/zinc/36/97/65/644369765.db2.gz GILPQKVFDWSAJY-ZDUSSCGKSA-N 2 1 244.379 0.835 20 0 BCADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](CN)C1CC1 ZINC000923356275 644372737 /nfs/dbraw/zinc/37/27/37/644372737.db2.gz GPUXJJQUNMXSDF-RYUDHWBXSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](CN)C1CC1 ZINC000923356275 644372741 /nfs/dbraw/zinc/37/27/41/644372741.db2.gz GPUXJJQUNMXSDF-RYUDHWBXSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356275 644372745 /nfs/dbraw/zinc/37/27/45/644372745.db2.gz GPUXJJQUNMXSDF-RYUDHWBXSA-N 3 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356275 644372749 /nfs/dbraw/zinc/37/27/49/644372749.db2.gz GPUXJJQUNMXSDF-RYUDHWBXSA-N 3 1 239.363 0.034 20 0 BCADMP CCOCC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923355987 644373092 /nfs/dbraw/zinc/37/30/92/644373092.db2.gz CRXXXWWEKIROIW-VXGBXAGGSA-N 2 1 230.352 0.443 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923355987 644373097 /nfs/dbraw/zinc/37/30/97/644373097.db2.gz CRXXXWWEKIROIW-VXGBXAGGSA-N 2 1 230.352 0.443 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356465 644373184 /nfs/dbraw/zinc/37/31/84/644373184.db2.gz ISAIWIJCODTOCG-QWHCGFSZSA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356465 644373185 /nfs/dbraw/zinc/37/31/85/644373185.db2.gz ISAIWIJCODTOCG-QWHCGFSZSA-N 2 1 244.379 0.689 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363733 644374509 /nfs/dbraw/zinc/37/45/09/644374509.db2.gz DRUPOWOEFBIWQD-SRVKXCTJSA-N 2 1 212.337 0.831 20 0 BCADMP Cc1ccc([C@H](O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000923364903 644375430 /nfs/dbraw/zinc/37/54/30/644375430.db2.gz AOKAYZUIJQKNPW-CHWSQXEVSA-N 2 1 238.331 0.280 20 0 BCADMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000923364903 644375435 /nfs/dbraw/zinc/37/54/35/644375435.db2.gz AOKAYZUIJQKNPW-CHWSQXEVSA-N 2 1 238.331 0.280 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364222 644375538 /nfs/dbraw/zinc/37/55/38/644375538.db2.gz JXKLQNKVLCLTFP-JHJVBQTASA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366746 644377695 /nfs/dbraw/zinc/37/76/95/644377695.db2.gz QBWQIZHWVTZSMV-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366275 644377867 /nfs/dbraw/zinc/37/78/67/644377867.db2.gz JGKUUKKFLZTMAK-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)Cn1cccn1 ZINC000923366870 644378539 /nfs/dbraw/zinc/37/85/39/644378539.db2.gz ABYJWQWQIIFKEY-QWRGUYRKSA-N 2 1 240.351 0.207 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923366063 644379418 /nfs/dbraw/zinc/37/94/18/644379418.db2.gz ZDUNZHIDHANVMN-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923366063 644379421 /nfs/dbraw/zinc/37/94/21/644379421.db2.gz ZDUNZHIDHANVMN-XQQFMLRXSA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368752 644380125 /nfs/dbraw/zinc/38/01/25/644380125.db2.gz SLZCTBIPPNPPSF-NEPJUHHUSA-N 2 1 246.395 0.983 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923368504 644380931 /nfs/dbraw/zinc/38/09/31/644380931.db2.gz CYQOYMCMEIKJQI-NNYUYHANSA-N 2 1 230.352 0.360 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923370713 644381951 /nfs/dbraw/zinc/38/19/51/644381951.db2.gz QJVYUNSTWNMHNA-YVECIDJPSA-N 2 1 244.379 0.748 20 0 BCADMP C[N@H+](CCC[NH2+]C1CC1)C1(C(N)=O)CCCC1 ZINC000923371876 644383586 /nfs/dbraw/zinc/38/35/86/644383586.db2.gz VNUZQCXEEGHUKX-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)C1(C(N)=O)CCCC1 ZINC000923371876 644383590 /nfs/dbraw/zinc/38/35/90/644383590.db2.gz VNUZQCXEEGHUKX-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923370728 644383921 /nfs/dbraw/zinc/38/39/21/644383921.db2.gz QPNPAMYVJQNIDG-MROQNXINSA-N 2 1 244.379 0.750 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362211 644386605 /nfs/dbraw/zinc/38/66/05/644386605.db2.gz LSLZMSGIWWZJJC-LBPRGKRZSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362211 644386609 /nfs/dbraw/zinc/38/66/09/644386609.db2.gz LSLZMSGIWWZJJC-LBPRGKRZSA-N 2 1 244.379 0.833 20 0 BCADMP C[N@H+](C[C@H](O)Cn1cccn1)C1(C[NH3+])CCC1 ZINC000923360962 644387303 /nfs/dbraw/zinc/38/73/03/644387303.db2.gz CCQAOXPQBJHSBH-NSHDSACASA-N 2 1 238.335 0.057 20 0 BCADMP C[N@@H+](C[C@H](O)Cn1cccn1)C1(C[NH3+])CCC1 ZINC000923360962 644387309 /nfs/dbraw/zinc/38/73/09/644387309.db2.gz CCQAOXPQBJHSBH-NSHDSACASA-N 2 1 238.335 0.057 20 0 BCADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923373786 644389812 /nfs/dbraw/zinc/38/98/12/644389812.db2.gz RNJHVUPZGGXVFZ-SRVKXCTJSA-N 2 1 240.347 0.474 20 0 BCADMP C[C@@]12COC[C@]1(C)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391018 644396668 /nfs/dbraw/zinc/39/66/68/644396668.db2.gz MIDUCRBIRMJATP-PJSNJIKXSA-N 2 1 240.347 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923386931 644399710 /nfs/dbraw/zinc/39/97/10/644399710.db2.gz LGERXDQVGLSZSK-WOPDTQHZSA-N 2 1 230.352 0.443 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387863 644400257 /nfs/dbraw/zinc/40/02/57/644400257.db2.gz ZUUSNEWLJPAPCN-LLVKDONJSA-N 2 1 232.368 0.832 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387863 644400259 /nfs/dbraw/zinc/40/02/59/644400259.db2.gz ZUUSNEWLJPAPCN-LLVKDONJSA-N 2 1 232.368 0.832 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000923387782 644400449 /nfs/dbraw/zinc/40/04/49/644400449.db2.gz FPBUGLHESLACMC-BJDJZHNGSA-N 2 1 230.327 0.909 20 0 BCADMP C[N@@H+](C[C@H]1CC1(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396263 644400910 /nfs/dbraw/zinc/40/09/10/644400910.db2.gz CCBCHKYFSHRSBV-RCWTZXSCSA-N 2 1 212.337 0.815 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399436 644404414 /nfs/dbraw/zinc/40/44/14/644404414.db2.gz RXGHVZNCLMETBR-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399436 644404420 /nfs/dbraw/zinc/40/44/20/644404420.db2.gz RXGHVZNCLMETBR-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399110 644404950 /nfs/dbraw/zinc/40/49/50/644404950.db2.gz ODNQMTQUPLGGJE-RYUDHWBXSA-N 2 1 242.363 0.648 20 0 BCADMP C[N@@H+](CCC[NH2+]C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401273 644406534 /nfs/dbraw/zinc/40/65/34/644406534.db2.gz TZLNLFWFZDYTAS-JGZJWPJOSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408546 644411503 /nfs/dbraw/zinc/41/15/03/644411503.db2.gz ATPBJCHRHDUDRU-WDEREUQCSA-N 2 1 218.341 0.441 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408546 644411519 /nfs/dbraw/zinc/41/15/19/644411519.db2.gz ATPBJCHRHDUDRU-WDEREUQCSA-N 2 1 218.341 0.441 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392658 644409291 /nfs/dbraw/zinc/40/92/91/644409291.db2.gz KQEJUPRYHFFPDT-SRVKXCTJSA-N 2 1 230.352 0.586 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392862 644409372 /nfs/dbraw/zinc/40/93/72/644409372.db2.gz LLEZJMHFQWUGMC-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](NCCO)C2)C1 ZINC000923408275 644411568 /nfs/dbraw/zinc/41/15/68/644411568.db2.gz FMZPBFWMBXCGBH-XQQFMLRXSA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](NCCO)C2)C1 ZINC000923408275 644411572 /nfs/dbraw/zinc/41/15/72/644411572.db2.gz FMZPBFWMBXCGBH-XQQFMLRXSA-N 2 1 241.379 0.160 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408544 644411645 /nfs/dbraw/zinc/41/16/45/644411645.db2.gz ATPBJCHRHDUDRU-MNOVXSKESA-N 2 1 218.341 0.441 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408544 644411647 /nfs/dbraw/zinc/41/16/47/644411647.db2.gz ATPBJCHRHDUDRU-MNOVXSKESA-N 2 1 218.341 0.441 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923412758 644414814 /nfs/dbraw/zinc/41/48/14/644414814.db2.gz ASQXMSGHKKAESW-AAEUAGOBSA-N 2 1 244.379 0.691 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414221 644415920 /nfs/dbraw/zinc/41/59/20/644415920.db2.gz KKNDQUIPQOCZGS-UTUOFQBUSA-N 2 1 244.404 0.784 20 0 BCADMP CCOCCOCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923414055 644416251 /nfs/dbraw/zinc/41/62/51/644416251.db2.gz ZIMVQCVORQBXIH-NWDGAFQWSA-N 2 1 230.352 0.566 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000923413355 644416383 /nfs/dbraw/zinc/41/63/83/644416383.db2.gz FLZUREKSSDQJJN-DGORSVRFSA-N 2 1 242.388 0.522 20 0 BCADMP CCOCCOCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923414056 644416547 /nfs/dbraw/zinc/41/65/47/644416547.db2.gz ZIMVQCVORQBXIH-RYUDHWBXSA-N 2 1 230.352 0.566 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413906 644417713 /nfs/dbraw/zinc/41/77/13/644417713.db2.gz JWJJLOUAQSJYCH-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000923426080 644419482 /nfs/dbraw/zinc/41/94/82/644419482.db2.gz CDHRQXUALQBEFV-QNWJLWSRSA-N 2 1 240.347 0.338 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426403 644420368 /nfs/dbraw/zinc/42/03/68/644420368.db2.gz CXKXINXYNQTJDK-NWDGAFQWSA-N 2 1 242.363 0.648 20 0 BCADMP C[C@@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426887 644421715 /nfs/dbraw/zinc/42/17/15/644421715.db2.gz HRCNTADNTCHGON-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429603 644421879 /nfs/dbraw/zinc/42/18/79/644421879.db2.gz YXAIZCDDSKUHKD-MXWKQRLJSA-N 2 1 232.393 0.627 20 0 BCADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923426959 644422250 /nfs/dbraw/zinc/42/22/50/644422250.db2.gz PUHSMRPCMSBBNQ-OLZOCXBDSA-N 2 1 242.363 0.864 20 0 BCADMP CC[N@@H+](CCC[NH2+]C1CC1)CCC(N)=O ZINC000923433166 644426318 /nfs/dbraw/zinc/42/63/18/644426318.db2.gz OUABAQSXLFFQTQ-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481955 644458342 /nfs/dbraw/zinc/45/83/42/644458342.db2.gz VPIWIZGAHIGXDP-STQMWFEESA-N 2 1 241.379 0.378 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482727 644458395 /nfs/dbraw/zinc/45/83/95/644458395.db2.gz SKCVWOOGAUBBNN-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000923482299 644459020 /nfs/dbraw/zinc/45/90/20/644459020.db2.gz YGOAALOVHXCGLD-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000923481332 644459218 /nfs/dbraw/zinc/45/92/18/644459218.db2.gz PQLYADYITFHYMS-NSHDSACASA-N 2 1 234.347 1.000 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ncn1 ZINC000923480854 644459635 /nfs/dbraw/zinc/45/96/35/644459635.db2.gz KRCVEYIZNQIBME-NSHDSACASA-N 2 1 220.320 0.956 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482726 644460066 /nfs/dbraw/zinc/46/00/66/644460066.db2.gz SKCVWOOGAUBBNN-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000923480421 644460375 /nfs/dbraw/zinc/46/03/75/644460375.db2.gz YFOLHJJLZARRCV-QMMMGPOBSA-N 2 1 208.252 0.896 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495953 644461628 /nfs/dbraw/zinc/46/16/28/644461628.db2.gz FJNZCJFLGIMDDU-VWYCJHECSA-N 2 1 228.336 0.855 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495952 644462436 /nfs/dbraw/zinc/46/24/36/644462436.db2.gz FJNZCJFLGIMDDU-OUAUKWLOSA-N 2 1 228.336 0.855 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484501 644462487 /nfs/dbraw/zinc/46/24/87/644462487.db2.gz KNCOCGDWXBCYLP-NSHDSACASA-N 2 1 228.336 0.999 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495459 644462725 /nfs/dbraw/zinc/46/27/25/644462725.db2.gz WCPBJSOSVLKUSP-NEPJUHHUSA-N 2 1 241.379 0.772 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495506 644463697 /nfs/dbraw/zinc/46/36/97/644463697.db2.gz WMPUGIJBGCGESQ-WDEREUQCSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncnc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495506 644463703 /nfs/dbraw/zinc/46/37/03/644463703.db2.gz WMPUGIJBGCGESQ-WDEREUQCSA-N 2 1 237.351 0.715 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923495492 644463718 /nfs/dbraw/zinc/46/37/18/644463718.db2.gz WHWDZLCVXLGYNU-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC000923488921 644465056 /nfs/dbraw/zinc/46/50/56/644465056.db2.gz IDZXROSCIRGCQB-PWSUYJOCSA-N 2 1 222.336 0.869 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923491072 644465287 /nfs/dbraw/zinc/46/52/87/644465287.db2.gz QNZOGLWPGMNNKG-TUAOUCFPSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H](F)CN2)CC[C@H]1C[NH3+] ZINC000923489375 644465806 /nfs/dbraw/zinc/46/58/06/644465806.db2.gz JGFOHLYGSMGLJT-RHYQMDGZSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H](F)CN2)CC[C@H]1C[NH3+] ZINC000923489375 644465808 /nfs/dbraw/zinc/46/58/08/644465808.db2.gz JGFOHLYGSMGLJT-RHYQMDGZSA-N 2 1 229.343 0.603 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1C[NH3+] ZINC000923490518 644465930 /nfs/dbraw/zinc/46/59/30/644465930.db2.gz ODUHSVHHUFGQNY-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1C[NH3+] ZINC000923490518 644465932 /nfs/dbraw/zinc/46/59/32/644465932.db2.gz ODUHSVHHUFGQNY-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492252 644467911 /nfs/dbraw/zinc/46/79/11/644467911.db2.gz MLLGRVKQUJLQNW-VWYCJHECSA-N 2 1 241.335 0.065 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497077 644470162 /nfs/dbraw/zinc/47/01/62/644470162.db2.gz KTOQZLOPUIPRMQ-QWRGUYRKSA-N 2 1 228.336 0.856 20 0 BCADMP CCOC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497085 644470639 /nfs/dbraw/zinc/47/06/39/644470639.db2.gz KTRJQPKCMWMCKF-ZJUUUORDSA-N 2 1 214.309 0.466 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CC[C@H]1C[NH3+] ZINC000923497230 644471253 /nfs/dbraw/zinc/47/12/53/644471253.db2.gz DEBHNZPTIQXOHQ-UTLUCORTSA-N 2 1 212.293 0.219 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500006 644472460 /nfs/dbraw/zinc/47/24/60/644472460.db2.gz UBJADSFRMRKUGZ-WDEREUQCSA-N 2 1 228.336 0.856 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500005 644473012 /nfs/dbraw/zinc/47/30/12/644473012.db2.gz UBJADSFRMRKUGZ-QWRGUYRKSA-N 2 1 228.336 0.856 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500004 644473766 /nfs/dbraw/zinc/47/37/66/644473766.db2.gz UBJADSFRMRKUGZ-MNOVXSKESA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499334 644474085 /nfs/dbraw/zinc/47/40/85/644474085.db2.gz JYGKJQUWGDMLPD-IWSPIJDZSA-N 2 1 240.269 0.826 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC000923507726 644477671 /nfs/dbraw/zinc/47/76/71/644477671.db2.gz BRVFPZHHYIZPEL-FVCCEPFGSA-N 2 1 239.363 0.129 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC000923507726 644477676 /nfs/dbraw/zinc/47/76/76/644477676.db2.gz BRVFPZHHYIZPEL-FVCCEPFGSA-N 2 1 239.363 0.129 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515817 644479589 /nfs/dbraw/zinc/47/95/89/644479589.db2.gz NIOHVPMMCYKWEC-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP C([C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515817 644479592 /nfs/dbraw/zinc/47/95/92/644479592.db2.gz NIOHVPMMCYKWEC-RWMBFGLXSA-N 2 1 223.364 0.527 20 0 BCADMP FC(F)COCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516594 644480450 /nfs/dbraw/zinc/48/04/50/644480450.db2.gz KXKNYMPPJXKBIC-VHSXEESVSA-N 2 1 234.290 0.809 20 0 BCADMP FC(F)COCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516594 644480454 /nfs/dbraw/zinc/48/04/54/644480454.db2.gz KXKNYMPPJXKBIC-VHSXEESVSA-N 2 1 234.290 0.809 20 0 BCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518610 644482308 /nfs/dbraw/zinc/48/23/08/644482308.db2.gz XNJIYXLRHLUYGI-WDEREUQCSA-N 2 1 220.320 0.461 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518610 644482312 /nfs/dbraw/zinc/48/23/12/644482312.db2.gz XNJIYXLRHLUYGI-WDEREUQCSA-N 2 1 220.320 0.461 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518872 644482801 /nfs/dbraw/zinc/48/28/01/644482801.db2.gz FMKDYOBSTFFRBZ-NWDGAFQWSA-N 2 1 240.347 0.869 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000923529337 644485064 /nfs/dbraw/zinc/48/50/64/644485064.db2.gz DFMBQKGUAGGNCV-ZBOXLXRLSA-N 2 1 237.347 0.468 20 0 BCADMP COC[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923558335 644498028 /nfs/dbraw/zinc/49/80/28/644498028.db2.gz QWRBEGCPAYJRBX-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CCOCC[NH3+] ZINC000923556344 644501812 /nfs/dbraw/zinc/50/18/12/644501812.db2.gz WFYLPOOBMUQHFP-CYBMUJFWSA-N 2 1 243.395 0.624 20 0 BCADMP CC(C)C[C@@H]1C[N@H+](C)CCN1CCOCC[NH3+] ZINC000923556344 644501818 /nfs/dbraw/zinc/50/18/18/644501818.db2.gz WFYLPOOBMUQHFP-CYBMUJFWSA-N 2 1 243.395 0.624 20 0 BCADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1CCOCC[NH3+] ZINC000923556344 644501823 /nfs/dbraw/zinc/50/18/23/644501823.db2.gz WFYLPOOBMUQHFP-CYBMUJFWSA-N 2 1 243.395 0.624 20 0 BCADMP CCn1ncnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847448 644643145 /nfs/dbraw/zinc/64/31/45/644643145.db2.gz YBBOUEVSESOKKM-UHFFFAOYSA-N 2 1 237.351 1.000 20 0 BCADMP CCn1ncnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847448 644643149 /nfs/dbraw/zinc/64/31/49/644643149.db2.gz YBBOUEVSESOKKM-UHFFFAOYSA-N 2 1 237.351 1.000 20 0 BCADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000250350963 644755868 /nfs/dbraw/zinc/75/58/68/644755868.db2.gz JMVWTCCPTRLTHU-GARJFASQSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250418879 644758586 /nfs/dbraw/zinc/75/85/86/644758586.db2.gz OZKVBWGDKLLANZ-MBYGNEARSA-N 2 1 228.336 0.209 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250486876 644760021 /nfs/dbraw/zinc/76/00/21/644760021.db2.gz HIAPYOKMGMUHPW-QJPTWQEYSA-N 2 1 230.352 0.586 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250486876 644760024 /nfs/dbraw/zinc/76/00/24/644760024.db2.gz HIAPYOKMGMUHPW-QJPTWQEYSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561692 644764338 /nfs/dbraw/zinc/76/43/38/644764338.db2.gz COJMUPZLSYQHLP-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561692 644764342 /nfs/dbraw/zinc/76/43/42/644764342.db2.gz COJMUPZLSYQHLP-SRVKXCTJSA-N 2 1 211.353 0.798 20 0 BCADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764686 /nfs/dbraw/zinc/76/46/86/644764686.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764691 /nfs/dbraw/zinc/76/46/91/644764691.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764694 /nfs/dbraw/zinc/76/46/94/644764694.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764698 /nfs/dbraw/zinc/76/46/98/644764698.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 2 1 223.364 0.907 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250572830 644765521 /nfs/dbraw/zinc/76/55/21/644765521.db2.gz WQHJFOOVSQJNNV-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251020283 644789860 /nfs/dbraw/zinc/78/98/60/644789860.db2.gz CRUZKQQMAWLECE-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251790765 644821813 /nfs/dbraw/zinc/82/18/13/644821813.db2.gz XKOXPDMWRJYQNW-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304601944 644920529 /nfs/dbraw/zinc/92/05/29/644920529.db2.gz VKXYZYFXQPZLRK-VXGBXAGGSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253199308 644942837 /nfs/dbraw/zinc/94/28/37/644942837.db2.gz BHQPTPZAEVBQJL-VHSXEESVSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253199308 644942847 /nfs/dbraw/zinc/94/28/47/644942847.db2.gz BHQPTPZAEVBQJL-VHSXEESVSA-N 2 1 225.336 0.182 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH3+] ZINC000834524784 645144891 /nfs/dbraw/zinc/14/48/91/645144891.db2.gz BTKBBGQSOWIDCU-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCF)CC12CCOCC2 ZINC000843388532 645289907 /nfs/dbraw/zinc/28/99/07/645289907.db2.gz QTUSLXDXTVTMQT-JTQLQIEISA-N 2 1 216.300 0.643 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCF)CC12CCOCC2 ZINC000843388532 645289921 /nfs/dbraw/zinc/28/99/21/645289921.db2.gz QTUSLXDXTVTMQT-JTQLQIEISA-N 2 1 216.300 0.643 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000844187055 645316348 /nfs/dbraw/zinc/31/63/48/645316348.db2.gz CAMXFFRVCRKDKR-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000844188990 645316744 /nfs/dbraw/zinc/31/67/44/645316744.db2.gz DOAFATKFGGXHIO-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC1 ZINC000926619675 645321510 /nfs/dbraw/zinc/32/15/10/645321510.db2.gz KPRQQTOMLGUWLJ-FBTJUVTCSA-N 2 1 210.321 0.705 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488695 645521118 /nfs/dbraw/zinc/52/11/18/645521118.db2.gz VFKPCRZOIHPIDY-RYUDHWBXSA-N 2 1 223.364 0.955 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928429760 645735840 /nfs/dbraw/zinc/73/58/40/645735840.db2.gz RVTLXEODLYPVEC-LPEHRKFASA-N 2 1 213.325 0.145 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000928427393 645743885 /nfs/dbraw/zinc/74/38/85/645743885.db2.gz JYPJTXNQMRDZSE-MNOVXSKESA-N 2 1 237.347 0.291 20 0 BCADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000928429405 645748664 /nfs/dbraw/zinc/74/86/64/645748664.db2.gz BXSMWUYHUAEVFG-WDEREUQCSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000928430494 645749843 /nfs/dbraw/zinc/74/98/43/645749843.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@@H+]1C ZINC000928430494 645749846 /nfs/dbraw/zinc/74/98/46/645749846.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 1 248.330 0.722 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928432863 645751846 /nfs/dbraw/zinc/75/18/46/645751846.db2.gz KXCWAJAQDMTIJC-MWLCHTKSSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928432863 645751851 /nfs/dbraw/zinc/75/18/51/645751851.db2.gz KXCWAJAQDMTIJC-MWLCHTKSSA-N 2 1 236.319 0.400 20 0 BCADMP C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000928557236 645816078 /nfs/dbraw/zinc/81/60/78/645816078.db2.gz SAVCYQLGDQLHJS-NSHDSACASA-N 2 1 244.298 0.768 20 0 BCADMP C[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000928557236 645816081 /nfs/dbraw/zinc/81/60/81/645816081.db2.gz SAVCYQLGDQLHJS-NSHDSACASA-N 2 1 244.298 0.768 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+](CC)CC ZINC000928562195 645820653 /nfs/dbraw/zinc/82/06/53/645820653.db2.gz GZMUWOBATYBMDS-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+](CC)CC ZINC000928562195 645820656 /nfs/dbraw/zinc/82/06/56/645820656.db2.gz GZMUWOBATYBMDS-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928562706 645823031 /nfs/dbraw/zinc/82/30/31/645823031.db2.gz JZXKKRMEPYGOJP-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928562706 645823036 /nfs/dbraw/zinc/82/30/36/645823036.db2.gz JZXKKRMEPYGOJP-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928562918 645823896 /nfs/dbraw/zinc/82/38/96/645823896.db2.gz LTHZYNRCNYJXQZ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928562918 645823899 /nfs/dbraw/zinc/82/38/99/645823899.db2.gz LTHZYNRCNYJXQZ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562918 645823901 /nfs/dbraw/zinc/82/39/01/645823901.db2.gz LTHZYNRCNYJXQZ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562918 645823905 /nfs/dbraw/zinc/82/39/05/645823905.db2.gz LTHZYNRCNYJXQZ-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928562359 645825096 /nfs/dbraw/zinc/82/50/96/645825096.db2.gz DEPYCFAGBWYHFC-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928562359 645825098 /nfs/dbraw/zinc/82/50/98/645825098.db2.gz DEPYCFAGBWYHFC-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562359 645825099 /nfs/dbraw/zinc/82/50/99/645825099.db2.gz DEPYCFAGBWYHFC-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562359 645825101 /nfs/dbraw/zinc/82/51/01/645825101.db2.gz DEPYCFAGBWYHFC-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)COC1 ZINC000925483782 645917127 /nfs/dbraw/zinc/91/71/27/645917127.db2.gz YKWICSJBLFTPGQ-SNVBAGLBSA-N 2 1 210.321 0.897 20 0 BCADMP C[C@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924757850 646102844 /nfs/dbraw/zinc/10/28/44/646102844.db2.gz WIGQRLYJLHHOGJ-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnnn1C ZINC000924871670 646121932 /nfs/dbraw/zinc/12/19/32/646121932.db2.gz FUHULDFEHKQGRE-SECBINFHSA-N 2 1 234.307 0.671 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929637770 646215053 /nfs/dbraw/zinc/21/50/53/646215053.db2.gz ONLBWFUMYNXMNM-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000929637770 646215072 /nfs/dbraw/zinc/21/50/72/646215072.db2.gz ONLBWFUMYNXMNM-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929691192 646245469 /nfs/dbraw/zinc/24/54/69/646245469.db2.gz ZRTAEKABMPXOOZ-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929691192 646245472 /nfs/dbraw/zinc/24/54/72/646245472.db2.gz ZRTAEKABMPXOOZ-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000925393683 646259245 /nfs/dbraw/zinc/25/92/45/646259245.db2.gz JNRGZUALIWXYPG-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CO ZINC000929721799 646266121 /nfs/dbraw/zinc/26/61/21/646266121.db2.gz GRBCKORSEULSMB-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CO ZINC000929721799 646266129 /nfs/dbraw/zinc/26/61/29/646266129.db2.gz GRBCKORSEULSMB-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CO ZINC000929721799 646266137 /nfs/dbraw/zinc/26/61/37/646266137.db2.gz GRBCKORSEULSMB-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CO ZINC000929721799 646266145 /nfs/dbraw/zinc/26/61/45/646266145.db2.gz GRBCKORSEULSMB-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719493 646271596 /nfs/dbraw/zinc/27/15/96/646271596.db2.gz OSYBBPVPGLIKAD-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719493 646271597 /nfs/dbraw/zinc/27/15/97/646271597.db2.gz OSYBBPVPGLIKAD-STQMWFEESA-N 2 1 242.363 0.147 20 0 BCADMP C[C@H](CCNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000925436025 646282913 /nfs/dbraw/zinc/28/29/13/646282913.db2.gz VVMIAJTZSQMZQF-MNOVXSKESA-N 2 1 242.367 0.330 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307816 /nfs/dbraw/zinc/30/78/16/646307816.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307819 /nfs/dbraw/zinc/30/78/19/646307819.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307821 /nfs/dbraw/zinc/30/78/21/646307821.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925512077 646310050 /nfs/dbraw/zinc/31/00/50/646310050.db2.gz ZDHZQZIPHQQVNJ-JIMTYQMOSA-N 2 1 247.346 0.253 20 0 BCADMP CCc1nncn1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925515978 646311380 /nfs/dbraw/zinc/31/13/80/646311380.db2.gz QUFPPCNMLCJFOS-WDEREUQCSA-N 2 1 237.351 0.571 20 0 BCADMP Cn1cnnc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925536195 646321319 /nfs/dbraw/zinc/32/13/19/646321319.db2.gz CDEVVEAFTRIXLZ-ZJUUUORDSA-N 2 1 237.351 0.811 20 0 BCADMP Cn1cnnc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925536194 646322464 /nfs/dbraw/zinc/32/24/64/646322464.db2.gz CDEVVEAFTRIXLZ-VHSXEESVSA-N 2 1 237.351 0.811 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000925550556 646329013 /nfs/dbraw/zinc/32/90/13/646329013.db2.gz BNQPHIKWFMCYBY-AVGNSLFASA-N 2 1 242.363 0.912 20 0 BCADMP C1C[C@@H]2C[C@@H](N[C@H]3C[NH2+]CCOC3)CC[N@H+]2C1 ZINC000925562852 646335125 /nfs/dbraw/zinc/33/51/25/646335125.db2.gz QWPOKLKRWPCWCI-RWMBFGLXSA-N 2 1 239.363 0.191 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@H]3C[NH2+]CCOC3)CC[N@H+]2C1 ZINC000925562849 646336519 /nfs/dbraw/zinc/33/65/19/646336519.db2.gz QWPOKLKRWPCWCI-FRRDWIJNSA-N 2 1 239.363 0.191 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925578386 646344305 /nfs/dbraw/zinc/34/43/05/646344305.db2.gz VUNAKTVLCPGQOB-NSHDSACASA-N 2 1 229.368 0.295 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577619 646344434 /nfs/dbraw/zinc/34/44/34/646344434.db2.gz PCIJZQWENFLLFR-VXGBXAGGSA-N 2 1 229.368 0.295 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925578819 646345093 /nfs/dbraw/zinc/34/50/93/646345093.db2.gz YTRZNAIFSCPAOU-MVWJERBFSA-N 2 1 249.362 0.631 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925609929 646359452 /nfs/dbraw/zinc/35/94/52/646359452.db2.gz BPWZSMAFALRTDH-JQWIXIFHSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925609930 646359577 /nfs/dbraw/zinc/35/95/77/646359577.db2.gz BPWZSMAFALRTDH-PWSUYJOCSA-N 2 1 230.352 0.504 20 0 BCADMP OC[C@H]1C=C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925613173 646362968 /nfs/dbraw/zinc/36/29/68/646362968.db2.gz ARGIDDYQPKNXNT-ISCIKXKRSA-N 2 1 234.343 0.509 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000925616725 646364932 /nfs/dbraw/zinc/36/49/32/646364932.db2.gz NJPSIQZLLMZKDS-CYZMBNFOSA-N 2 1 242.363 0.504 20 0 BCADMP c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925620879 646366859 /nfs/dbraw/zinc/36/68/59/646366859.db2.gz IPJXGNNBETZPHA-MNOVXSKESA-N 2 1 247.346 0.467 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925619283 646367087 /nfs/dbraw/zinc/36/70/87/646367087.db2.gz YVZKILYGGRQJSP-VHSXEESVSA-N 2 1 239.319 0.297 20 0 BCADMP O[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925625539 646372248 /nfs/dbraw/zinc/37/22/48/646372248.db2.gz IYHJIFUAIGIEHT-RYUDHWBXSA-N 2 1 240.347 0.402 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925626668 646372683 /nfs/dbraw/zinc/37/26/83/646372683.db2.gz SGGDLBDZEXNNPV-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925635100 646378018 /nfs/dbraw/zinc/37/80/18/646378018.db2.gz OONXLBVUVUCQMZ-LPEHRKFASA-N 2 1 200.326 0.876 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000925644351 646384167 /nfs/dbraw/zinc/38/41/67/646384167.db2.gz MAHUMSXBOGQCDQ-GHMZBOCLSA-N 2 1 234.347 0.928 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000925644351 646384172 /nfs/dbraw/zinc/38/41/72/646384172.db2.gz MAHUMSXBOGQCDQ-GHMZBOCLSA-N 2 1 234.347 0.928 20 0 BCADMP COCC[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925654021 646391666 /nfs/dbraw/zinc/39/16/66/646391666.db2.gz KAXASDMZEDGXSG-MNOVXSKESA-N 2 1 228.336 0.258 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000925656375 646394043 /nfs/dbraw/zinc/39/40/43/646394043.db2.gz NJNARIUYYAQZPA-RNJOBUHISA-N 2 1 242.363 0.362 20 0 BCADMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925662533 646397949 /nfs/dbraw/zinc/39/79/49/646397949.db2.gz IXKCSOSJDOUDDG-GARJFASQSA-N 2 1 237.347 0.528 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668420 646398753 /nfs/dbraw/zinc/39/87/53/646398753.db2.gz HDFUNAUXMWYPNP-CHWSQXEVSA-N 2 1 243.395 0.685 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925672748 646403085 /nfs/dbraw/zinc/40/30/85/646403085.db2.gz XJYUHJBBZSEGFL-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925673738 646403240 /nfs/dbraw/zinc/40/32/40/646403240.db2.gz PGDXPFNTRNJCMA-WDEREUQCSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000925676397 646404717 /nfs/dbraw/zinc/40/47/17/646404717.db2.gz IROVSSDCLGQEDR-ZYHUDNBSSA-N 2 1 237.351 0.478 20 0 BCADMP O=C1NCCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925684670 646411390 /nfs/dbraw/zinc/41/13/90/646411390.db2.gz CDTKEEJDFHVNFJ-HDLKOFKZSA-N 2 1 249.358 0.099 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000925684829 646411586 /nfs/dbraw/zinc/41/15/86/646411586.db2.gz JFAXAHFRFBXWSM-JBLDHEPKSA-N 2 1 225.336 0.385 20 0 BCADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC(=O)N1 ZINC000925685357 646411849 /nfs/dbraw/zinc/41/18/49/646411849.db2.gz LLTWYYICPXCQIA-JQWIXIFHSA-N 2 1 237.347 0.529 20 0 BCADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925693104 646418304 /nfs/dbraw/zinc/41/83/04/646418304.db2.gz LHKVKRITGFQZNY-GMTAPVOTSA-N 2 1 210.321 0.774 20 0 BCADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925693106 646418340 /nfs/dbraw/zinc/41/83/40/646418340.db2.gz LHKVKRITGFQZNY-MXWKQRLJSA-N 2 1 210.321 0.774 20 0 BCADMP N[C@H](C[NH2+]C1[C@@H]2CC[C@H]1CC([NH3+])C2)C1CC1 ZINC000925699455 646423608 /nfs/dbraw/zinc/42/36/08/646423608.db2.gz OXHBDIYNMHCFSD-IJLVLRJLSA-N 2 1 223.364 0.829 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000925702495 646424585 /nfs/dbraw/zinc/42/45/85/646424585.db2.gz AOXCRBMILAQSDJ-USZNOCQGSA-N 3 1 211.353 0.844 20 0 BCADMP N[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C12CCC2 ZINC000925702615 646427170 /nfs/dbraw/zinc/42/71/70/646427170.db2.gz PCQUJNPZHYDOIJ-QWRGUYRKSA-N 2 1 223.364 0.975 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925703981 646428412 /nfs/dbraw/zinc/42/84/12/646428412.db2.gz FPKUTEBDGOIJHO-UONOGXRCSA-N 2 1 235.375 0.932 20 0 BCADMP Cn1cnc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925707464 646432003 /nfs/dbraw/zinc/43/20/03/646432003.db2.gz PXEACKHVEHSAEP-LLVKDONJSA-N 2 1 249.362 0.622 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000925709121 646432645 /nfs/dbraw/zinc/43/26/45/646432645.db2.gz SKSRKNXPIWEFEM-NSHDSACASA-N 2 1 237.347 0.363 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C)n1 ZINC000925710547 646434009 /nfs/dbraw/zinc/43/40/09/646434009.db2.gz WWLVGKVDCXZGML-JTQLQIEISA-N 2 1 235.335 0.728 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)n1 ZINC000925710547 646434013 /nfs/dbraw/zinc/43/40/13/646434013.db2.gz WWLVGKVDCXZGML-JTQLQIEISA-N 2 1 235.335 0.728 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000925725581 646452082 /nfs/dbraw/zinc/45/20/82/646452082.db2.gz AUGGSVRQKIQHNQ-DBIOUOCHSA-N 2 1 209.337 0.583 20 0 BCADMP CC(C)[C@H]1CN([C@@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925725848 646452346 /nfs/dbraw/zinc/45/23/46/646452346.db2.gz BZAPIYCAZWIZDH-CHWSQXEVSA-N 2 1 241.379 0.247 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NCCC(C)(C)[NH3+] ZINC000925737938 646454690 /nfs/dbraw/zinc/45/46/90/646454690.db2.gz RCPJLOBHOZDMQS-QWRGUYRKSA-N 2 1 229.368 0.470 20 0 BCADMP CC(C)([NH3+])CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925736957 646460775 /nfs/dbraw/zinc/46/07/75/646460775.db2.gz LSLFNMDJBFKZTB-VXGBXAGGSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767085 646469365 /nfs/dbraw/zinc/46/93/65/646469365.db2.gz MIDIEEFMMYDYOQ-WUHRBBMRSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925770775 646471104 /nfs/dbraw/zinc/47/11/04/646471104.db2.gz JAFYJVDBEZUCMK-CABZTGNLSA-N 2 1 220.320 0.704 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925787475 646483660 /nfs/dbraw/zinc/48/36/60/646483660.db2.gz TWRPXCKRJYOXKA-UCEQBCCISA-N 3 1 223.364 0.715 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000925791485 646484918 /nfs/dbraw/zinc/48/49/18/646484918.db2.gz QWZLUYVVQQBSHP-OWTLIXCDSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000925791485 646484919 /nfs/dbraw/zinc/48/49/19/646484919.db2.gz QWZLUYVVQQBSHP-OWTLIXCDSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791484 646485860 /nfs/dbraw/zinc/48/58/60/646485860.db2.gz QWZLUYVVQQBSHP-NRWUCQMLSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791484 646485865 /nfs/dbraw/zinc/48/58/65/646485865.db2.gz QWZLUYVVQQBSHP-NRWUCQMLSA-N 2 1 237.391 0.914 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000925810582 646490299 /nfs/dbraw/zinc/49/02/99/646490299.db2.gz FMXOGJNNJREXMI-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000925831410 646501818 /nfs/dbraw/zinc/50/18/18/646501818.db2.gz ITLCFVNUYPZIFX-BNDIWNMDSA-N 2 1 240.347 0.520 20 0 BCADMP C([NH2+]C1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841565 646507876 /nfs/dbraw/zinc/50/78/76/646507876.db2.gz QIVQTNVPNFTEJV-CHWSQXEVSA-N 3 1 223.364 0.860 20 0 BCADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925860464 646513028 /nfs/dbraw/zinc/51/30/28/646513028.db2.gz QVZOJLFUAZUDGM-IJLUTSLNSA-N 2 1 227.352 0.790 20 0 BCADMP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@@H]2CNOC2)C1 ZINC000925858876 646513278 /nfs/dbraw/zinc/51/32/78/646513278.db2.gz DKMNGCZBFFDFCY-WYUUTHIRSA-N 2 1 225.336 0.400 20 0 BCADMP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863676 646516540 /nfs/dbraw/zinc/51/65/40/646516540.db2.gz DKMNGCZBFFDFCY-FIQHERPVSA-N 2 1 225.336 0.400 20 0 BCADMP CC[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925875168 646525279 /nfs/dbraw/zinc/52/52/79/646525279.db2.gz PXODFHUMQISGTG-AGIUHOORSA-N 2 1 242.363 0.912 20 0 BCADMP Cn1cncc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926202040 646593817 /nfs/dbraw/zinc/59/38/17/646593817.db2.gz AUMZCHFDVXKNAX-ONXXMXGDSA-N 2 1 248.374 0.892 20 0 BCADMP Cn1nccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723710427 711535672 /nfs/dbraw/zinc/53/56/72/711535672.db2.gz UPZZPGBRPKKQTG-SNVBAGLBSA-N 2 1 208.309 0.591 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921653 711545647 /nfs/dbraw/zinc/54/56/47/711545647.db2.gz FFEZTTVZFKLLKW-UTUOFQBUSA-N 2 1 230.352 0.301 20 0 BCADMP Cc1[nH]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)[nH+]1 ZINC000724786436 711615092 /nfs/dbraw/zinc/61/50/92/711615092.db2.gz CCCAVDRCPAWLIF-GHMZBOCLSA-N 2 1 220.320 0.678 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000382289332 711621147 /nfs/dbraw/zinc/62/11/47/711621147.db2.gz QKVWBBWOKKUGIA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000382289332 711621150 /nfs/dbraw/zinc/62/11/50/711621150.db2.gz QKVWBBWOKKUGIA-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724924583 711629162 /nfs/dbraw/zinc/62/91/62/711629162.db2.gz YGQCGHKTVVZWJG-CHWSQXEVSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CCOC2)CC[N@H+]1C ZINC000724934675 711631322 /nfs/dbraw/zinc/63/13/22/711631322.db2.gz DPFRHHFHQNJYLL-AGIUHOORSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724912400 711627015 /nfs/dbraw/zinc/62/70/15/711627015.db2.gz CWOFGRGSHXIXCA-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000383376609 711657572 /nfs/dbraw/zinc/65/75/72/711657572.db2.gz DASRKNDRVKMKCA-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000383376609 711657574 /nfs/dbraw/zinc/65/75/74/711657574.db2.gz DASRKNDRVKMKCA-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000383376609 711657576 /nfs/dbraw/zinc/65/75/76/711657576.db2.gz DASRKNDRVKMKCA-DGCLKSJQSA-N 2 1 241.379 0.077 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000719343021 711669978 /nfs/dbraw/zinc/66/99/78/711669978.db2.gz BQGUDFZILFXFGN-JTQLQIEISA-N 2 1 224.352 0.995 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000309282069 711696292 /nfs/dbraw/zinc/69/62/92/711696292.db2.gz UASRQZJOPGSPKR-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160055129 711805420 /nfs/dbraw/zinc/80/54/20/711805420.db2.gz FBWQICRNEQZHRV-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160055296 711805517 /nfs/dbraw/zinc/80/55/17/711805517.db2.gz FBWQICRNEQZHRV-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000721972779 711854570 /nfs/dbraw/zinc/85/45/70/711854570.db2.gz SENRANIUWPJRPE-PHIMTYICSA-N 2 1 216.325 0.319 20 0 BCADMP C[C@H](CO)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278340 712045338 /nfs/dbraw/zinc/04/53/38/712045338.db2.gz LRCDKWHULDRCFL-SDDRHHMPSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278340 712045340 /nfs/dbraw/zinc/04/53/40/712045340.db2.gz LRCDKWHULDRCFL-SDDRHHMPSA-N 2 1 212.337 0.498 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278340 712045342 /nfs/dbraw/zinc/04/53/42/712045342.db2.gz LRCDKWHULDRCFL-SDDRHHMPSA-N 2 1 212.337 0.498 20 0 BCADMP FCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000702655347 712058741 /nfs/dbraw/zinc/05/87/41/712058741.db2.gz WZDRATYDLZLDSX-KKJSVHSVSA-N 2 1 228.311 0.559 20 0 BCADMP CC[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000707891348 712172382 /nfs/dbraw/zinc/17/23/82/712172382.db2.gz CUBIMLVGOAXZBL-GHMZBOCLSA-N 2 1 200.326 0.831 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709038926 712205638 /nfs/dbraw/zinc/20/56/38/712205638.db2.gz MUZRCTRPFXDUDX-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709038926 712205640 /nfs/dbraw/zinc/20/56/40/712205640.db2.gz MUZRCTRPFXDUDX-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC ZINC000709905417 712231955 /nfs/dbraw/zinc/23/19/55/712231955.db2.gz RILSUDHNXXLCOG-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711382459 712296387 /nfs/dbraw/zinc/29/63/87/712296387.db2.gz OPRAOGJDCIOHRK-JTQLQIEISA-N 2 1 225.336 0.006 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711468738 712302231 /nfs/dbraw/zinc/30/22/31/712302231.db2.gz KUPIITWYHWHOQW-RYUDHWBXSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711468738 712302234 /nfs/dbraw/zinc/30/22/34/712302234.db2.gz KUPIITWYHWHOQW-RYUDHWBXSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711468738 712302237 /nfs/dbraw/zinc/30/22/37/712302237.db2.gz KUPIITWYHWHOQW-RYUDHWBXSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711468738 712302241 /nfs/dbraw/zinc/30/22/41/712302241.db2.gz KUPIITWYHWHOQW-RYUDHWBXSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711468737 712302504 /nfs/dbraw/zinc/30/25/04/712302504.db2.gz KUPIITWYHWHOQW-NWDGAFQWSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711468737 712302505 /nfs/dbraw/zinc/30/25/05/712302505.db2.gz KUPIITWYHWHOQW-NWDGAFQWSA-N 2 1 232.343 0.979 20 0 BCADMP FC[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454069 712303813 /nfs/dbraw/zinc/30/38/13/712303813.db2.gz MKTZCSNJYGBCNV-GHMZBOCLSA-N 2 1 228.311 0.799 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711466090 712302556 /nfs/dbraw/zinc/30/25/56/712302556.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 1 248.342 0.217 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302962 /nfs/dbraw/zinc/30/29/62/712302962.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@H+](C[C@H](O)CN1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302964 /nfs/dbraw/zinc/30/29/64/712302964.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302965 /nfs/dbraw/zinc/30/29/65/712302965.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 1 230.327 0.733 20 0 BCADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC1CC1 ZINC000711755676 712324847 /nfs/dbraw/zinc/32/48/47/712324847.db2.gz YCHRNXOTGBTSLF-CMPLNLGQSA-N 2 1 210.321 0.849 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478930 712334484 /nfs/dbraw/zinc/33/44/84/712334484.db2.gz JINAIMAJWFBJOW-STQMWFEESA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@H](C[N@H+]1CC[NH2+]CCC12CCC2)OC ZINC000713125516 712453550 /nfs/dbraw/zinc/45/35/50/712453550.db2.gz OKGXAPZTLFJXEP-LBPRGKRZSA-N 2 1 242.363 0.866 20 0 BCADMP Cc1ccc(OCC[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000380046925 712684244 /nfs/dbraw/zinc/68/42/44/712684244.db2.gz UHAFGNUHUIBPQV-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000037647115 712733845 /nfs/dbraw/zinc/73/38/45/712733845.db2.gz JBQFOHDKCUJERC-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010513 712735979 /nfs/dbraw/zinc/73/59/79/712735979.db2.gz INAFSPVLFWBNBU-QCNOEVLYSA-N 2 1 239.363 0.700 20 0 BCADMP C(C[NH2+]C1CC1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718211180 712754029 /nfs/dbraw/zinc/75/40/29/712754029.db2.gz SWUICJDSPTZZCM-PHIMTYICSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718546223 712768737 /nfs/dbraw/zinc/76/87/37/712768737.db2.gz COHHKIZKFMNBEJ-IDWGSYCQSA-N 2 1 225.336 0.371 20 0 BCADMP c1cc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000719834166 712823923 /nfs/dbraw/zinc/82/39/23/712823923.db2.gz WEOLZZCJJASIMB-UWVGGRQHSA-N 2 1 223.345 0.837 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890772 712874950 /nfs/dbraw/zinc/87/49/50/712874950.db2.gz UEEVYSPVVMPREQ-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720895495 712876943 /nfs/dbraw/zinc/87/69/43/712876943.db2.gz XWGJZHOOZNRBSB-BBBLOLIVSA-N 2 1 211.309 0.029 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720904916 712877307 /nfs/dbraw/zinc/87/73/07/712877307.db2.gz XSTFVFIQPBRWPL-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000721074595 712889964 /nfs/dbraw/zinc/88/99/64/712889964.db2.gz PVVYSHIYAWGLCF-RHYQMDGZSA-N 2 1 239.363 0.428 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)C1CC1 ZINC000381394791 710632209 /nfs/dbraw/zinc/63/22/09/710632209.db2.gz PFOZQAIOLLUAQA-GFCCVEGCSA-N 2 1 223.320 0.942 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000721908215 710690007 /nfs/dbraw/zinc/69/00/07/710690007.db2.gz UTIGPUJRPASVGG-WUHRBBMRSA-N 2 1 224.348 0.953 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401363 712900534 /nfs/dbraw/zinc/90/05/34/712900534.db2.gz PQWYEECXNMPGLX-UMNHJUIQSA-N 2 1 210.321 0.393 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401363 712900535 /nfs/dbraw/zinc/90/05/35/712900535.db2.gz PQWYEECXNMPGLX-UMNHJUIQSA-N 2 1 210.321 0.393 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401363 712900536 /nfs/dbraw/zinc/90/05/36/712900536.db2.gz PQWYEECXNMPGLX-UMNHJUIQSA-N 2 1 210.321 0.393 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000380401363 712900537 /nfs/dbraw/zinc/90/05/37/712900537.db2.gz PQWYEECXNMPGLX-UMNHJUIQSA-N 2 1 210.321 0.393 20 0 BCADMP CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030330 710717054 /nfs/dbraw/zinc/71/70/54/710717054.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030330 710717059 /nfs/dbraw/zinc/71/70/59/710717059.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030330 710717063 /nfs/dbraw/zinc/71/70/63/710717063.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000381823834 710723792 /nfs/dbraw/zinc/72/37/92/710723792.db2.gz KXIRYSGIJDPNSZ-WDEREUQCSA-N 2 1 216.325 0.332 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890369 710732422 /nfs/dbraw/zinc/73/24/22/710732422.db2.gz GBMXVJBYKCCRAH-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724921486 710748709 /nfs/dbraw/zinc/74/87/09/710748709.db2.gz LTGPIVLIDNFEOC-CHWSQXEVSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@H]1CC[C@H](C[N@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054914 710753198 /nfs/dbraw/zinc/75/31/98/710753198.db2.gz JDZNBMUQRQBRSB-NWDGAFQWSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H]1CC[C@H](C[N@@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054914 710753204 /nfs/dbraw/zinc/75/32/04/710753204.db2.gz JDZNBMUQRQBRSB-NWDGAFQWSA-N 2 1 242.363 0.994 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382068246 710773352 /nfs/dbraw/zinc/77/33/52/710773352.db2.gz RNWSOMXWKKHEDC-KUYXLPFXSA-N 2 1 210.321 0.343 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042538736 710791730 /nfs/dbraw/zinc/79/17/30/710791730.db2.gz QTUSEPKXFOVMHH-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042538736 710791734 /nfs/dbraw/zinc/79/17/34/710791734.db2.gz QTUSEPKXFOVMHH-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043878787 710814797 /nfs/dbraw/zinc/81/47/97/710814797.db2.gz BBRVTVLXIPYFMP-ZYHUDNBSSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043878787 710814800 /nfs/dbraw/zinc/81/48/00/710814800.db2.gz BBRVTVLXIPYFMP-ZYHUDNBSSA-N 2 1 239.363 0.347 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044190907 710821732 /nfs/dbraw/zinc/82/17/32/710821732.db2.gz HBGRZAZPTWQCBL-UHFFFAOYSA-N 2 1 237.347 0.245 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396682997 710907538 /nfs/dbraw/zinc/90/75/38/710907538.db2.gz WTNSOKXTQHACBE-NEPJUHHUSA-N 2 1 229.368 0.295 20 0 BCADMP COCCOCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133093313 710967888 /nfs/dbraw/zinc/96/78/88/710967888.db2.gz TWKUMJQEBWHTBZ-NWDGAFQWSA-N 2 1 230.352 0.566 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133077561 710968658 /nfs/dbraw/zinc/96/86/58/710968658.db2.gz JWBGAZUADBZJOM-GHMZBOCLSA-N 2 1 227.352 0.429 20 0 BCADMP CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)C[NH+]1CCCC1 ZINC000383115096 710978203 /nfs/dbraw/zinc/97/82/03/710978203.db2.gz SLSFAPISUYWPPR-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+](C[C@@H](C)OC)C[C@@H](O)C[NH+]1CCCC1 ZINC000383115096 710978206 /nfs/dbraw/zinc/97/82/06/710978206.db2.gz SLSFAPISUYWPPR-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383594034 710983344 /nfs/dbraw/zinc/98/33/44/710983344.db2.gz ONEXYNQHYFGXIJ-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000384839533 710998022 /nfs/dbraw/zinc/99/80/22/710998022.db2.gz IBAWALZUIXVXGH-ONGXEEELSA-N 2 1 216.325 0.317 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380765155 712903029 /nfs/dbraw/zinc/90/30/29/712903029.db2.gz XGVFHBJRDSMZEL-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CC1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000387895143 711048486 /nfs/dbraw/zinc/04/84/86/711048486.db2.gz SNNWCDGXNWMHHZ-VXGBXAGGSA-N 2 1 242.363 0.146 20 0 BCADMP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000387895143 711048487 /nfs/dbraw/zinc/04/84/87/711048487.db2.gz SNNWCDGXNWMHHZ-VXGBXAGGSA-N 2 1 242.363 0.146 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(F)F ZINC000389953143 711099769 /nfs/dbraw/zinc/09/97/69/711099769.db2.gz YETARJAIMZVJCT-YUMQZZPRSA-N 2 1 210.268 0.984 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000390465398 711119376 /nfs/dbraw/zinc/11/93/76/711119376.db2.gz AGDPRGLYDJODCV-GFCCVEGCSA-N 2 1 227.352 0.703 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1C[NH3+] ZINC000390583759 711126500 /nfs/dbraw/zinc/12/65/00/711126500.db2.gz QBGVHQAQPSIVHG-QWRGUYRKSA-N 2 1 223.324 0.195 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390653573 711130918 /nfs/dbraw/zinc/13/09/18/711130918.db2.gz ODRVMDLWTSSPMD-MNOVXSKESA-N 2 1 227.352 0.557 20 0 BCADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000390670005 711131258 /nfs/dbraw/zinc/13/12/58/711131258.db2.gz VDWHFLJTDQLAOD-WOPDTQHZSA-N 2 1 230.352 0.314 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392807938 711152527 /nfs/dbraw/zinc/15/25/27/711152527.db2.gz DQGIJSBXLYZLQP-GFCCVEGCSA-N 2 1 239.363 0.738 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000393728076 711171481 /nfs/dbraw/zinc/17/14/81/711171481.db2.gz JTUIPJYLPQJTJJ-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000393728076 711171483 /nfs/dbraw/zinc/17/14/83/711171483.db2.gz JTUIPJYLPQJTJJ-SFYZADRCSA-N 2 1 226.242 0.580 20 0 BCADMP CC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000393895435 711178174 /nfs/dbraw/zinc/17/81/74/711178174.db2.gz IHDBXFPXRRGABL-LBPRGKRZSA-N 2 1 242.363 0.290 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396666814 711360653 /nfs/dbraw/zinc/36/06/53/711360653.db2.gz PCRSFZRZUOLOBK-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@H]1C[N@H+](C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339117 711208395 /nfs/dbraw/zinc/20/83/95/711208395.db2.gz ARNBANXJCXOXEO-JQWIXIFHSA-N 2 1 230.352 0.707 20 0 BCADMP CC[C@@H]1C[N@H+](C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339118 711208511 /nfs/dbraw/zinc/20/85/11/711208511.db2.gz ARNBANXJCXOXEO-PWSUYJOCSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H](CCCO)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396570609 711355655 /nfs/dbraw/zinc/35/56/55/711355655.db2.gz LCUZFPABGBVVPJ-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000396580110 711357596 /nfs/dbraw/zinc/35/75/96/711357596.db2.gz FAUQZFIVOIJVGK-HBIQZDMRSA-N 2 1 239.363 0.761 20 0 BCADMP CCC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396582796 711357812 /nfs/dbraw/zinc/35/78/12/711357812.db2.gz PWCFKJOYYKWWNI-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1NCC1=CC[N@@H+](C)CC1 ZINC000396702138 711365780 /nfs/dbraw/zinc/36/57/80/711365780.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702138 711365785 /nfs/dbraw/zinc/36/57/85/711365785.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702138 711365788 /nfs/dbraw/zinc/36/57/88/711365788.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 2 1 223.364 0.978 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000381484557 710643679 /nfs/dbraw/zinc/64/36/79/710643679.db2.gz HIFXHQRQLJLFCY-UHFFFAOYSA-N 3 1 211.353 0.671 20 0 BCADMP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001044958184 710834052 /nfs/dbraw/zinc/83/40/52/710834052.db2.gz GELJEKLHAHWJQL-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP c1cnn(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000383288344 710979493 /nfs/dbraw/zinc/97/94/93/710979493.db2.gz JSOZIUXMDXFCTH-NWBUJAPZSA-N 2 1 232.331 0.469 20 0 BCADMP C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384939338 711001233 /nfs/dbraw/zinc/00/12/33/711001233.db2.gz UCZZPZYIOMVFAA-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384939338 711001235 /nfs/dbraw/zinc/00/12/35/711001235.db2.gz UCZZPZYIOMVFAA-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](C(COC)COC)C1 ZINC000384974157 711001365 /nfs/dbraw/zinc/00/13/65/711001365.db2.gz PTESFFQSUJOYHZ-LLVKDONJSA-N 2 1 230.352 0.579 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC1=CC[N@@H+](C)CC1 ZINC000396702136 711365890 /nfs/dbraw/zinc/36/58/90/711365890.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702136 711365893 /nfs/dbraw/zinc/36/58/93/711365893.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@@H]1NCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702136 711365897 /nfs/dbraw/zinc/36/58/97/711365897.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccnn1C ZINC000396727028 711369656 /nfs/dbraw/zinc/36/96/56/711369656.db2.gz WTLJJZRKZJOAHI-ZYHUDNBSSA-N 2 1 222.336 0.693 20 0 BCADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000723054268 711497961 /nfs/dbraw/zinc/49/79/61/711497961.db2.gz DCOMKHQCRASWRH-MNOVXSKESA-N 2 1 200.326 0.940 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723684398 711534072 /nfs/dbraw/zinc/53/40/72/711534072.db2.gz XFGHEZOXBXINFQ-IUCAKERBSA-N 2 1 200.282 0.219 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CC[NH3+] ZINC000723881638 711543396 /nfs/dbraw/zinc/54/33/96/711543396.db2.gz CARGQRYNYLZULX-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723887865 711544072 /nfs/dbraw/zinc/54/40/72/711544072.db2.gz ZEXQMDLPXKDDPL-GHMZBOCLSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901175 711544112 /nfs/dbraw/zinc/54/41/12/711544112.db2.gz OJEHCFBUEJTNGP-OPRDCNLKSA-N 2 1 212.293 0.219 20 0 BCADMP COCC(COC)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892686 711544419 /nfs/dbraw/zinc/54/44/19/711544419.db2.gz UQBGXSLZWKYBPL-GHMZBOCLSA-N 2 1 230.352 0.565 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901918 711544816 /nfs/dbraw/zinc/54/48/16/711544816.db2.gz TVRRMUZBJXCCPD-IJLUTSLNSA-N 2 1 212.337 0.940 20 0 BCADMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC ZINC000259057870 711576996 /nfs/dbraw/zinc/57/69/96/711576996.db2.gz SRUODVJZEKCWIY-JTQLQIEISA-N 2 1 228.336 0.869 20 0 BCADMP C[C@H](CNC1=[NH+]CCCN1C)[N@H+](C)C1CC1 ZINC000386551393 711582230 /nfs/dbraw/zinc/58/22/30/711582230.db2.gz GZSSFNWNVLGXSU-SNVBAGLBSA-N 2 1 224.352 0.750 20 0 BCADMP C[C@H](CNC1=[NH+]CCCN1C)[N@@H+](C)C1CC1 ZINC000386551393 711582233 /nfs/dbraw/zinc/58/22/33/711582233.db2.gz GZSSFNWNVLGXSU-SNVBAGLBSA-N 2 1 224.352 0.750 20 0 BCADMP CN1CCC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000386579787 711588272 /nfs/dbraw/zinc/58/82/72/711588272.db2.gz OHKLNPMJAYLKAR-NSHDSACASA-N 2 1 224.352 0.609 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724601521 711596927 /nfs/dbraw/zinc/59/69/27/711596927.db2.gz TYUMNOUVFGMMFA-NDBYEHHHSA-N 2 1 240.347 0.461 20 0 BCADMP Cc1[nH]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)[nH+]1 ZINC000724786438 711614679 /nfs/dbraw/zinc/61/46/79/711614679.db2.gz CCCAVDRCPAWLIF-QWRGUYRKSA-N 2 1 220.320 0.678 20 0 BCADMP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000724919788 711628168 /nfs/dbraw/zinc/62/81/68/711628168.db2.gz AOPNVQTUQMVAIB-OLZOCXBDSA-N 2 1 240.347 0.477 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000724919788 711628169 /nfs/dbraw/zinc/62/81/69/711628169.db2.gz AOPNVQTUQMVAIB-OLZOCXBDSA-N 2 1 240.347 0.477 20 0 BCADMP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000724919786 711628171 /nfs/dbraw/zinc/62/81/71/711628171.db2.gz AOPNVQTUQMVAIB-CHWSQXEVSA-N 2 1 240.347 0.477 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000724919786 711628172 /nfs/dbraw/zinc/62/81/72/711628172.db2.gz AOPNVQTUQMVAIB-CHWSQXEVSA-N 2 1 240.347 0.477 20 0 BCADMP C[NH+]1CCC([NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000724954819 711634423 /nfs/dbraw/zinc/63/44/23/711634423.db2.gz BLUHEYQQILDHLD-GFCCVEGCSA-N 2 1 228.336 0.476 20 0 BCADMP Cn1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000309282069 711696291 /nfs/dbraw/zinc/69/62/91/711696291.db2.gz UASRQZJOPGSPKR-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925604788 711704980 /nfs/dbraw/zinc/70/49/80/711704980.db2.gz BFEMCQYKDZKWPX-SNVBAGLBSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689149 711709605 /nfs/dbraw/zinc/70/96/05/711709605.db2.gz GYRKDFWETJLFGB-QWHCGFSZSA-N 3 1 240.395 0.012 20 0 BCADMP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722150249 711712189 /nfs/dbraw/zinc/71/21/89/711712189.db2.gz UDHZZRJOOYEEDY-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP COCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353210 711717543 /nfs/dbraw/zinc/71/75/43/711717543.db2.gz PAQUZSVTPKLCDV-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722184857 711718187 /nfs/dbraw/zinc/71/81/87/711718187.db2.gz XHRDUMOTYLRLPR-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925722789 711726519 /nfs/dbraw/zinc/72/65/19/711726519.db2.gz ZDDLHJGITLJWQA-BSCCGWMCSA-N 2 1 249.358 0.193 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125542054 711730231 /nfs/dbraw/zinc/73/02/31/711730231.db2.gz MHCBBCLUKGKVDM-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP OC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000107153148 711754355 /nfs/dbraw/zinc/75/43/55/711754355.db2.gz UQSBAUOFSIBDTN-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP OC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000107153143 711754360 /nfs/dbraw/zinc/75/43/60/711754360.db2.gz RRYDFGZJFHNTSZ-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160056961 711805609 /nfs/dbraw/zinc/80/56/09/711805609.db2.gz OEDGSFOZYDSVSH-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160040588 711805612 /nfs/dbraw/zinc/80/56/12/711805612.db2.gz VYSOBWKLKZBVPD-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000913532188 711824490 /nfs/dbraw/zinc/82/44/90/711824490.db2.gz JUBZVMWZUDCSPZ-TXEJJXNPSA-N 2 1 249.358 0.387 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC000913532188 711824491 /nfs/dbraw/zinc/82/44/91/711824491.db2.gz JUBZVMWZUDCSPZ-TXEJJXNPSA-N 2 1 249.358 0.387 20 0 BCADMP COC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229083672 711837631 /nfs/dbraw/zinc/83/76/31/711837631.db2.gz WINPXSVPFJVARW-HSTDOPHLSA-N 2 1 228.336 0.209 20 0 BCADMP COC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229083672 711837632 /nfs/dbraw/zinc/83/76/32/711837632.db2.gz WINPXSVPFJVARW-HSTDOPHLSA-N 2 1 228.336 0.209 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720978 711893342 /nfs/dbraw/zinc/89/33/42/711893342.db2.gz BEJWFVPVESHPKU-NEPJUHHUSA-N 2 1 230.352 0.587 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724469 711893619 /nfs/dbraw/zinc/89/36/19/711893619.db2.gz QOSFJUPIPUAASI-MNOVXSKESA-N 2 1 216.325 0.055 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032784111 711939366 /nfs/dbraw/zinc/93/93/66/711939366.db2.gz HTXSLQOBKRSVCB-RYUDHWBXSA-N 2 1 248.330 0.497 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032784111 711939368 /nfs/dbraw/zinc/93/93/68/711939368.db2.gz HTXSLQOBKRSVCB-RYUDHWBXSA-N 2 1 248.330 0.497 20 0 BCADMP CCOC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702280163 712045042 /nfs/dbraw/zinc/04/50/42/712045042.db2.gz FGSQVIXBKGSERF-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702280163 712045043 /nfs/dbraw/zinc/04/50/43/712045043.db2.gz FGSQVIXBKGSERF-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702280163 712045044 /nfs/dbraw/zinc/04/50/44/712045044.db2.gz FGSQVIXBKGSERF-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP CCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702280163 712045045 /nfs/dbraw/zinc/04/50/45/712045045.db2.gz FGSQVIXBKGSERF-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278703 712045284 /nfs/dbraw/zinc/04/52/84/712045284.db2.gz CNEZDGKMHSNENR-NWDGAFQWSA-N 2 1 211.353 0.479 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000702345595 712046023 /nfs/dbraw/zinc/04/60/23/712046023.db2.gz BTQJQTBAAQZTSR-UPJWGTAASA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000702345595 712046025 /nfs/dbraw/zinc/04/60/25/712046025.db2.gz BTQJQTBAAQZTSR-UPJWGTAASA-N 2 1 224.348 0.641 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702368877 712048734 /nfs/dbraw/zinc/04/87/34/712048734.db2.gz PRVSLGYDBOENNE-GMXVVIOVSA-N 2 1 239.363 0.380 20 0 BCADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702628733 712057312 /nfs/dbraw/zinc/05/73/12/712057312.db2.gz OSVAOBDNALVGBY-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702628733 712057315 /nfs/dbraw/zinc/05/73/15/712057315.db2.gz OSVAOBDNALVGBY-UTUOFQBUSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCCO ZINC000702672618 712059797 /nfs/dbraw/zinc/05/97/97/712059797.db2.gz ZQFJLVMVUPWINJ-WDEREUQCSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCCO ZINC000702672618 712059798 /nfs/dbraw/zinc/05/97/98/712059798.db2.gz ZQFJLVMVUPWINJ-WDEREUQCSA-N 2 1 200.326 0.961 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC1CC(OC)C1 ZINC000703296967 712071379 /nfs/dbraw/zinc/07/13/79/712071379.db2.gz CRQMCKSFTZFSJW-UHFFFAOYSA-N 2 1 200.326 0.953 20 0 BCADMP COC1CC(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000703875463 712092018 /nfs/dbraw/zinc/09/20/18/712092018.db2.gz PDIOWLQCLUSYNN-XKGSQUFQSA-N 2 1 228.336 0.459 20 0 BCADMP COC1CC(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000703875463 712092019 /nfs/dbraw/zinc/09/20/19/712092019.db2.gz PDIOWLQCLUSYNN-XKGSQUFQSA-N 2 1 228.336 0.459 20 0 BCADMP C[N@H+](Cc1ccc(N)nn1)CC1CC[NH+](C)CC1 ZINC000703977906 712097009 /nfs/dbraw/zinc/09/70/09/712097009.db2.gz KDCPGNRRCFSTEJ-UHFFFAOYSA-N 2 1 249.362 0.832 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705665548 712135003 /nfs/dbraw/zinc/13/50/03/712135003.db2.gz FYDNTDYHOAVYEY-AVGNSLFASA-N 2 1 226.364 0.888 20 0 BCADMP CCOC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805552 712135942 /nfs/dbraw/zinc/13/59/42/712135942.db2.gz DAGOQPGMDPBZCJ-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+]1C[C@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC000706979882 712160157 /nfs/dbraw/zinc/16/01/57/712160157.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 2 1 237.391 0.870 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446154 712194967 /nfs/dbraw/zinc/19/49/67/712194967.db2.gz NSWPDACDCMJXTL-SDDRHHMPSA-N 3 1 211.353 0.607 20 0 BCADMP CN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446154 712194970 /nfs/dbraw/zinc/19/49/70/712194970.db2.gz NSWPDACDCMJXTL-SDDRHHMPSA-N 2 1 211.353 0.607 20 0 BCADMP CN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446154 712194971 /nfs/dbraw/zinc/19/49/71/712194971.db2.gz NSWPDACDCMJXTL-SDDRHHMPSA-N 2 1 211.353 0.607 20 0 BCADMP CCOC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709785618 712227000 /nfs/dbraw/zinc/22/70/00/712227000.db2.gz FXVRGQDCTRPVDB-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996062 712238536 /nfs/dbraw/zinc/23/85/36/712238536.db2.gz LNKSSCJEVLGRSD-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1COCCO1 ZINC000710832092 712257950 /nfs/dbraw/zinc/25/79/50/712257950.db2.gz GYXGVESRQJGXSR-GFCCVEGCSA-N 2 1 230.352 0.853 20 0 BCADMP COC1(OC)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000710993472 712273227 /nfs/dbraw/zinc/27/32/27/712273227.db2.gz IRSWHLIEDSSVJD-JTQLQIEISA-N 2 1 216.325 0.679 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711468745 712302298 /nfs/dbraw/zinc/30/22/98/712302298.db2.gz KUPIITWYHWHOQW-VXGBXAGGSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711468745 712302300 /nfs/dbraw/zinc/30/23/00/712302300.db2.gz KUPIITWYHWHOQW-VXGBXAGGSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711468745 712302301 /nfs/dbraw/zinc/30/23/01/712302301.db2.gz KUPIITWYHWHOQW-VXGBXAGGSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711468745 712302303 /nfs/dbraw/zinc/30/23/03/712302303.db2.gz KUPIITWYHWHOQW-VXGBXAGGSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711468737 712302502 /nfs/dbraw/zinc/30/25/02/712302502.db2.gz KUPIITWYHWHOQW-NWDGAFQWSA-N 2 1 232.343 0.979 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711468737 712302503 /nfs/dbraw/zinc/30/25/03/712302503.db2.gz KUPIITWYHWHOQW-NWDGAFQWSA-N 2 1 232.343 0.979 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000711750896 712324053 /nfs/dbraw/zinc/32/40/53/712324053.db2.gz BSDFGBNWKRSYCV-LBPRGKRZSA-N 2 1 210.321 0.851 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480265 712334419 /nfs/dbraw/zinc/33/44/19/712334419.db2.gz HBJJNOKOLSQSMZ-RYUDHWBXSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000923479433 712334766 /nfs/dbraw/zinc/33/47/66/712334766.db2.gz OVQOEJILRCUWCI-QWRGUYRKSA-N 2 1 235.335 0.436 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480386 712335136 /nfs/dbraw/zinc/33/51/36/712335136.db2.gz XYKQPQRWWVABFH-ZJUUUORDSA-N 2 1 218.366 0.381 20 0 BCADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000379340715 712375033 /nfs/dbraw/zinc/37/50/33/712375033.db2.gz YIIUDBKNWILVAO-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[N@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCC1(C)C ZINC000712627433 712438831 /nfs/dbraw/zinc/43/88/31/712438831.db2.gz UHUSYQHZKNSNHS-XYPYZODXSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668674 712440009 /nfs/dbraw/zinc/44/00/09/712440009.db2.gz KYOGDYVNYGRBMU-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712536307 712442799 /nfs/dbraw/zinc/44/27/99/712442799.db2.gz RNOPZYUKVBQQJB-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712536307 712442801 /nfs/dbraw/zinc/44/28/01/712442801.db2.gz RNOPZYUKVBQQJB-LLVKDONJSA-N 2 1 230.352 0.458 20 0 BCADMP CC[N@H+]1CC[C@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000712537445 712442907 /nfs/dbraw/zinc/44/29/07/712442907.db2.gz DINKMWLOYZJGMD-VIFPVBQESA-N 2 1 221.308 0.873 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712537208 712442948 /nfs/dbraw/zinc/44/29/48/712442948.db2.gz YQWQTOIYSMCXAL-JTQLQIEISA-N 2 1 216.325 0.068 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCn1cccn1 ZINC000712551027 712444527 /nfs/dbraw/zinc/44/45/27/712444527.db2.gz QTXYMTUHTOXAFC-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCn1cccn1 ZINC000712551027 712444528 /nfs/dbraw/zinc/44/45/28/712444528.db2.gz QTXYMTUHTOXAFC-UHFFFAOYSA-N 2 1 222.336 0.957 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576966 712448177 /nfs/dbraw/zinc/44/81/77/712448177.db2.gz COHMWTPILNNNBQ-CHWSQXEVSA-N 2 1 241.379 0.127 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000714552305 712493959 /nfs/dbraw/zinc/49/39/59/712493959.db2.gz GDFYRKKOPLXCOE-JTQLQIEISA-N 2 1 227.308 0.109 20 0 BCADMP CO[C@H]1C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000714715656 712496530 /nfs/dbraw/zinc/49/65/30/712496530.db2.gz VSZRCRZNBWJPPP-DRZSPHRISA-N 2 1 242.363 0.456 20 0 BCADMP CO[C@H]1C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714715656 712496531 /nfs/dbraw/zinc/49/65/31/712496531.db2.gz VSZRCRZNBWJPPP-DRZSPHRISA-N 2 1 242.363 0.456 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714994930 712503050 /nfs/dbraw/zinc/50/30/50/712503050.db2.gz MBHFHWVIILXGOG-UPJWGTAASA-N 2 1 242.363 0.458 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714994934 712503090 /nfs/dbraw/zinc/50/30/90/712503090.db2.gz MBHFHWVIILXGOG-XQQFMLRXSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715128133 712511238 /nfs/dbraw/zinc/51/12/38/712511238.db2.gz YITMGWOHSGBGFF-VGMNWLOBSA-N 2 1 247.289 0.037 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715492933 712523549 /nfs/dbraw/zinc/52/35/49/712523549.db2.gz AVTDXLOZUFVELS-WOPDTQHZSA-N 2 1 228.336 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715492933 712523552 /nfs/dbraw/zinc/52/35/52/712523552.db2.gz AVTDXLOZUFVELS-WOPDTQHZSA-N 2 1 228.336 0.195 20 0 BCADMP CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)OCCO1 ZINC000716828132 712577402 /nfs/dbraw/zinc/57/74/02/712577402.db2.gz JIAPIPPIPIYYRY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)OCCO1 ZINC000716828132 712577403 /nfs/dbraw/zinc/57/74/03/712577403.db2.gz JIAPIPPIPIYYRY-NWDGAFQWSA-N 2 1 240.347 0.966 20 0 BCADMP Cc1ccc(OCC[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000380046925 712684243 /nfs/dbraw/zinc/68/42/43/712684243.db2.gz UHAFGNUHUIBPQV-LBPRGKRZSA-N 2 1 238.331 0.625 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000720186048 712829189 /nfs/dbraw/zinc/82/91/89/712829189.db2.gz NCUZMUJUVTWAMC-JQWIXIFHSA-N 2 1 244.379 0.845 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000720186048 712829190 /nfs/dbraw/zinc/82/91/90/712829190.db2.gz NCUZMUJUVTWAMC-JQWIXIFHSA-N 2 1 244.379 0.845 20 0 BCADMP COC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720643357 712860675 /nfs/dbraw/zinc/86/06/75/712860675.db2.gz WFHLDGFZSUFBQJ-SDDRHHMPSA-N 2 1 212.337 0.810 20 0 BCADMP COC[C@@H](C)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720743312 712863309 /nfs/dbraw/zinc/86/33/09/712863309.db2.gz WMELVIOMOZDENZ-UWVGGRQHSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@@H](C)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720743312 712863310 /nfs/dbraw/zinc/86/33/10/712863310.db2.gz WMELVIOMOZDENZ-UWVGGRQHSA-N 2 1 200.326 0.938 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720808366 712867294 /nfs/dbraw/zinc/86/72/94/712867294.db2.gz WCKOWHCNDWYGGR-AVGNSLFASA-N 2 1 242.363 0.851 20 0 BCADMP COCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720860973 712870877 /nfs/dbraw/zinc/87/08/77/712870877.db2.gz MSZPGZWBMJCCKO-GRYCIOLGSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720872424 712873135 /nfs/dbraw/zinc/87/31/35/712873135.db2.gz OXUYVHYWXCLETE-BIIVOSGPSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720872424 712873138 /nfs/dbraw/zinc/87/31/38/712873138.db2.gz OXUYVHYWXCLETE-BIIVOSGPSA-N 2 1 226.242 0.436 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720888193 712874546 /nfs/dbraw/zinc/87/45/46/712874546.db2.gz MHRJRNGKPGXDPE-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901451 712876163 /nfs/dbraw/zinc/87/61/63/712876163.db2.gz SALRTASNGGPNAT-BJDJZHNGSA-N 2 1 237.347 0.419 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720904014 712876210 /nfs/dbraw/zinc/87/62/10/712876210.db2.gz WBSXLBUSQIVWNG-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721072342 712889914 /nfs/dbraw/zinc/88/99/14/712889914.db2.gz KILZSIASALQOOS-VWYCJHECSA-N 2 1 241.335 0.272 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721072342 712889917 /nfs/dbraw/zinc/88/99/17/712889917.db2.gz KILZSIASALQOOS-VWYCJHECSA-N 2 1 241.335 0.272 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642412 719196389 /nfs/dbraw/zinc/19/63/89/719196389.db2.gz YFCBIVKYQAWKRZ-NXEZZACHSA-N 2 1 247.346 0.609 20 0 BCADMP C[NH2+]CCNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000418329942 192025381 /nfs/dbraw/zinc/02/53/81/192025381.db2.gz OWGSHRXZAWEJAT-LLVKDONJSA-N 2 1 242.367 0.187 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@@H+](C)C1CC1 ZINC000649319613 398142883 /nfs/dbraw/zinc/14/28/83/398142883.db2.gz JZJDQIZCGLJUJY-IQIPOGNMSA-N 2 1 237.347 0.336 20 0 BCADMP C[C@@]1(C[N@@H+](CCCO)C2CC2)CC[NH2+]C1 ZINC000379468277 398147063 /nfs/dbraw/zinc/14/70/63/398147063.db2.gz ZIDBXDPVNYLRAW-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772181 349483828 /nfs/dbraw/zinc/48/38/28/349483828.db2.gz DCLSZDXICGSRTG-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341939 398158894 /nfs/dbraw/zinc/15/88/94/398158894.db2.gz AYWZTVUXDRRRBF-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342062 398158901 /nfs/dbraw/zinc/15/89/01/398158901.db2.gz JQAKQPYCXOYAHM-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905782 398157264 /nfs/dbraw/zinc/15/72/64/398157264.db2.gz SSSUEBBAQWXLEM-ZGVCCVRISA-N 2 1 223.364 0.953 20 0 BCADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905782 398157266 /nfs/dbraw/zinc/15/72/66/398157266.db2.gz SSSUEBBAQWXLEM-ZGVCCVRISA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341576 398158145 /nfs/dbraw/zinc/15/81/45/398158145.db2.gz INNNRDHAYAPGRS-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000379831872 398170626 /nfs/dbraw/zinc/17/06/26/398170626.db2.gz BLFYNMKIWLOXCG-KGYLQXTDSA-N 2 1 242.363 0.599 20 0 BCADMP CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000379831872 398170628 /nfs/dbraw/zinc/17/06/28/398170628.db2.gz BLFYNMKIWLOXCG-KGYLQXTDSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](CCO)C1 ZINC000379992859 398179724 /nfs/dbraw/zinc/17/97/24/398179724.db2.gz YNYRYCCOLBHCBW-SNVBAGLBSA-N 2 1 200.326 0.818 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000649348353 398161388 /nfs/dbraw/zinc/16/13/88/398161388.db2.gz IRJGTILJGFOWAD-JBLDHEPKSA-N 2 1 237.347 0.480 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423020354 398162480 /nfs/dbraw/zinc/16/24/80/398162480.db2.gz BBPWGTOLLKOWKM-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379779535 398166797 /nfs/dbraw/zinc/16/67/97/398166797.db2.gz FKCBAXGJEWWKPO-NSHDSACASA-N 2 1 208.309 0.494 20 0 BCADMP CCCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396737557 398167304 /nfs/dbraw/zinc/16/73/04/398167304.db2.gz LVADBDQHJUJQDI-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000380100815 398186035 /nfs/dbraw/zinc/18/60/35/398186035.db2.gz XGRAUVCIQQINJI-CHWSQXEVSA-N 2 1 246.395 0.902 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000576224802 365528385 /nfs/dbraw/zinc/52/83/85/365528385.db2.gz CPOXWYFGCPXWPC-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP Cc1cc(F)ccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336751351 178085923 /nfs/dbraw/zinc/08/59/23/178085923.db2.gz VCYMHYAJOAVRCY-GFCCVEGCSA-N 2 1 226.295 0.886 20 0 BCADMP Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336751351 178085924 /nfs/dbraw/zinc/08/59/24/178085924.db2.gz VCYMHYAJOAVRCY-GFCCVEGCSA-N 2 1 226.295 0.886 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000649371121 398184883 /nfs/dbraw/zinc/18/48/83/398184883.db2.gz MJLMINFMSQZBGK-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000394847959 398203873 /nfs/dbraw/zinc/20/38/73/398203873.db2.gz AWVXTBKJXDMCPH-SNVBAGLBSA-N 2 1 223.324 0.376 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213319 /nfs/dbraw/zinc/21/33/19/398213319.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 2 1 225.380 0.870 20 0 BCADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000386749277 398218953 /nfs/dbraw/zinc/21/89/53/398218953.db2.gz GCKOPAWOELZLIE-LBPRGKRZSA-N 2 1 222.336 0.781 20 0 BCADMP Cn1cc(C[C@@H]2CC[N@@H+](CCC[NH3+])C2)cn1 ZINC000649414263 398212962 /nfs/dbraw/zinc/21/29/62/398212962.db2.gz OZLONYFVTRONBL-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414152 398212984 /nfs/dbraw/zinc/21/29/84/398212984.db2.gz JKISRRYTHTXFHG-STQMWFEESA-N 2 1 248.374 0.894 20 0 BCADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414151 398213267 /nfs/dbraw/zinc/21/32/67/398213267.db2.gz JKISRRYTHTXFHG-QWHCGFSZSA-N 2 1 248.374 0.894 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000386841601 398221048 /nfs/dbraw/zinc/22/10/48/398221048.db2.gz AZNNXYOLZSAROI-NXEZZACHSA-N 2 1 212.337 0.972 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000576411362 365589914 /nfs/dbraw/zinc/58/99/14/365589914.db2.gz DVGOOVIVNVHUHG-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)C(C)C ZINC000625574214 398226653 /nfs/dbraw/zinc/22/66/53/398226653.db2.gz VBDDYIBVHPDGGG-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP COC[C@@](C)([NH3+])CNc1cc(C)[nH+]c(C)n1 ZINC000275504801 538931388 /nfs/dbraw/zinc/93/13/88/538931388.db2.gz MQEXNMPQMKOZTR-NSHDSACASA-N 2 1 224.308 0.869 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)C(C)C ZINC000625574214 398226661 /nfs/dbraw/zinc/22/66/61/398226661.db2.gz VBDDYIBVHPDGGG-UHFFFAOYSA-N 2 1 238.335 0.648 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986634 398228420 /nfs/dbraw/zinc/22/84/20/398228420.db2.gz WJMKPSKUQBKSMF-IHRRRGAJSA-N 3 1 237.391 0.917 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000164489899 361761654 /nfs/dbraw/zinc/76/16/54/361761654.db2.gz OSBQGKSVLVAUIP-ZJUUUORDSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000164489774 361761738 /nfs/dbraw/zinc/76/17/38/361761738.db2.gz OSBQGKSVLVAUIP-UWVGGRQHSA-N 2 1 200.326 0.830 20 0 BCADMP C[C@H](CNC(=O)C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430759978 398230875 /nfs/dbraw/zinc/23/08/75/398230875.db2.gz HTTZKBDUMIKJRV-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@@H](CNC(=O)CC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430764795 398231384 /nfs/dbraw/zinc/23/13/84/398231384.db2.gz TWULJYSJZVTCOI-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529780 488175686 /nfs/dbraw/zinc/17/56/86/488175686.db2.gz XFFAZMUCYDEWBM-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000576475415 365605995 /nfs/dbraw/zinc/60/59/95/365605995.db2.gz CXDOKPIRPDBRGQ-XQQFMLRXSA-N 2 1 243.395 0.323 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381278000 398249542 /nfs/dbraw/zinc/24/95/42/398249542.db2.gz XKARINXHBGLUFQ-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381277994 398249936 /nfs/dbraw/zinc/24/99/36/398249936.db2.gz XKARINXHBGLUFQ-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000323018459 259309398 /nfs/dbraw/zinc/30/93/98/259309398.db2.gz IWHUPDQEDUYTPX-DCAQKATOSA-N 2 1 227.352 0.631 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000381410662 398253762 /nfs/dbraw/zinc/25/37/62/398253762.db2.gz UIPJFKRIAUBZTC-VXGBXAGGSA-N 2 1 210.321 0.708 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000381410291 398256485 /nfs/dbraw/zinc/25/64/85/398256485.db2.gz UIPJFKRIAUBZTC-NEPJUHHUSA-N 2 1 210.321 0.708 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000576700319 365661757 /nfs/dbraw/zinc/66/17/57/365661757.db2.gz GOHSNVHMERWDED-SNVBAGLBSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@](C[NH3+])([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000576756045 365678458 /nfs/dbraw/zinc/67/84/58/365678458.db2.gz AUHHCKCWYSGCET-ZYHUDNBSSA-N 3 1 211.353 0.703 20 0 BCADMP CC1([NH3+])CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000381713743 398270713 /nfs/dbraw/zinc/27/07/13/398270713.db2.gz KRZXGTORCSDKRR-LLVKDONJSA-N 3 1 211.353 0.799 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000381761874 346837823 /nfs/dbraw/zinc/83/78/23/346837823.db2.gz UDPFFTHONZYBJF-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380206756 346852886 /nfs/dbraw/zinc/85/28/86/346852886.db2.gz WVMGLKNSJKCCNR-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000166226063 361848735 /nfs/dbraw/zinc/84/87/35/361848735.db2.gz NZJUTHNVLPWVTP-KOLCDFICSA-N 2 1 208.309 0.589 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC[NH3+])C1CC1 ZINC000167208141 361861717 /nfs/dbraw/zinc/86/17/17/361861717.db2.gz NUMBGCORVVQRTD-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000605331991 342753054 /nfs/dbraw/zinc/75/30/54/342753054.db2.gz WPPWSHBSKIJTDQ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000605331991 342753055 /nfs/dbraw/zinc/75/30/55/342753055.db2.gz WPPWSHBSKIJTDQ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000605331991 342753057 /nfs/dbraw/zinc/75/30/57/342753057.db2.gz WPPWSHBSKIJTDQ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CNCCO1 ZINC000400007453 398290286 /nfs/dbraw/zinc/29/02/86/398290286.db2.gz SPSWSKOCLROYCW-QWRGUYRKSA-N 2 1 230.377 0.802 20 0 BCADMP C[C@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000381034218 538994672 /nfs/dbraw/zinc/99/46/72/538994672.db2.gz AYZSKMICEWQYPT-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP C[C@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000381034218 538994674 /nfs/dbraw/zinc/99/46/74/538994674.db2.gz AYZSKMICEWQYPT-YIZRAAEISA-N 2 1 238.253 0.451 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000381401063 539000011 /nfs/dbraw/zinc/00/00/11/539000011.db2.gz AGEXZLNUILGZFT-QWRGUYRKSA-N 2 1 223.320 0.712 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000390341475 539021062 /nfs/dbraw/zinc/02/10/62/539021062.db2.gz NBBWFZDTONZFRO-VXGBXAGGSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000390341475 539021063 /nfs/dbraw/zinc/02/10/63/539021063.db2.gz NBBWFZDTONZFRO-VXGBXAGGSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618672 539026636 /nfs/dbraw/zinc/02/66/36/539026636.db2.gz HRVZOCJCULIFPX-XQHKEYJVSA-N 2 1 224.348 0.953 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000335645311 136243421 /nfs/dbraw/zinc/24/34/21/136243421.db2.gz VJHWIZKKPYVJLB-TXEJJXNPSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1C[C@H]1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000625081969 342849970 /nfs/dbraw/zinc/84/99/70/342849970.db2.gz VSCGNDLBOUHEJB-RYUDHWBXSA-N 2 1 239.363 0.348 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCOCC1CC1 ZINC000583999487 342866176 /nfs/dbraw/zinc/86/61/76/342866176.db2.gz LMRVOWSKTJGBEG-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCOCC1CC1 ZINC000583999487 342866178 /nfs/dbraw/zinc/86/61/78/342866178.db2.gz LMRVOWSKTJGBEG-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)nn1 ZINC000625166508 342899052 /nfs/dbraw/zinc/89/90/52/342899052.db2.gz JYUAUSWJIMWXIW-NSHDSACASA-N 2 1 237.351 0.241 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)nn1 ZINC000625166508 342899053 /nfs/dbraw/zinc/89/90/53/342899053.db2.gz JYUAUSWJIMWXIW-NSHDSACASA-N 2 1 237.351 0.241 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)nn1 ZINC000625166483 342899095 /nfs/dbraw/zinc/89/90/95/342899095.db2.gz JYUAUSWJIMWXIW-LLVKDONJSA-N 2 1 237.351 0.241 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)nn1 ZINC000625166483 342899096 /nfs/dbraw/zinc/89/90/96/342899096.db2.gz JYUAUSWJIMWXIW-LLVKDONJSA-N 2 1 237.351 0.241 20 0 BCADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474771 136245983 /nfs/dbraw/zinc/24/59/83/136245983.db2.gz GRZDOUNXLITWFK-MGAJPHDKSA-N 2 1 249.358 0.419 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000351477255 136246031 /nfs/dbraw/zinc/24/60/31/136246031.db2.gz NCKQYWPPRINMRS-WCFLWFBJSA-N 2 1 232.331 0.954 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000351477255 136246032 /nfs/dbraw/zinc/24/60/32/136246032.db2.gz NCKQYWPPRINMRS-WCFLWFBJSA-N 2 1 232.331 0.954 20 0 BCADMP CC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037479414 398328363 /nfs/dbraw/zinc/32/83/63/398328363.db2.gz VIAXZMDUMLFWSA-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485371 398329074 /nfs/dbraw/zinc/32/90/74/398329074.db2.gz FXZBNNDWKTWROK-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000580309947 346890223 /nfs/dbraw/zinc/89/02/23/346890223.db2.gz UWBXUJHZZUWHAV-DTWKUNHWSA-N 2 1 249.305 0.203 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000392772382 398335203 /nfs/dbraw/zinc/33/52/03/398335203.db2.gz DNNBUZDEIBSYCU-LBPRGKRZSA-N 2 1 237.347 0.507 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)CCC[NH3+])C1 ZINC000040503538 346903363 /nfs/dbraw/zinc/90/33/63/346903363.db2.gz AYRGNSTVFUUNST-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853150 136257506 /nfs/dbraw/zinc/25/75/06/136257506.db2.gz NXANGQBZLWOOLG-OUAUKWLOSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)CS(C)(=O)=O ZINC000351853150 136257507 /nfs/dbraw/zinc/25/75/07/136257507.db2.gz NXANGQBZLWOOLG-OUAUKWLOSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044808424 343008116 /nfs/dbraw/zinc/00/81/16/343008116.db2.gz NRELEFTYOFIPFP-UWVGGRQHSA-N 2 1 213.325 0.039 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000309204396 259342135 /nfs/dbraw/zinc/34/21/35/259342135.db2.gz CCWBQBPEZASQNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000309204396 259342137 /nfs/dbraw/zinc/34/21/37/259342137.db2.gz CCWBQBPEZASQNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000309204396 259342139 /nfs/dbraw/zinc/34/21/39/259342139.db2.gz CCWBQBPEZASQNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000309204396 259342140 /nfs/dbraw/zinc/34/21/40/259342140.db2.gz CCWBQBPEZASQNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP Cc1[nH+]ccn1CCn1cc(CC[NH+](C)C)nn1 ZINC000640985099 362102149 /nfs/dbraw/zinc/10/21/49/362102149.db2.gz CUGVAWCYULRPBM-UHFFFAOYSA-N 2 1 248.334 0.587 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]C1CC1)C(C)C ZINC000236858241 343113800 /nfs/dbraw/zinc/11/38/00/343113800.db2.gz MITAYPMXHGMUIX-UHFFFAOYSA-N 2 1 227.352 0.585 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC(C)(C)C1 ZINC000576879302 365713344 /nfs/dbraw/zinc/71/33/44/365713344.db2.gz FDXJWDLPQFSZQX-LLVKDONJSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000126465986 343170208 /nfs/dbraw/zinc/17/02/08/343170208.db2.gz YJWSOEKJMZMPQH-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129080712 343176022 /nfs/dbraw/zinc/17/60/22/343176022.db2.gz XPYQBTPMGIMFMN-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000147785423 343198443 /nfs/dbraw/zinc/19/84/43/343198443.db2.gz DZMGHHLHIJSWNB-JTQLQIEISA-N 2 1 237.347 0.468 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000157886023 343200464 /nfs/dbraw/zinc/20/04/64/343200464.db2.gz JVQOTCXKYGWXKD-KOLCDFICSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398068503 488206858 /nfs/dbraw/zinc/20/68/58/488206858.db2.gz DYJLPMCXWOBVKP-NSHDSACASA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000087471991 136281407 /nfs/dbraw/zinc/28/14/07/136281407.db2.gz GTFHLPITAUNHMY-SECBINFHSA-N 2 1 202.298 0.337 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CCCO)CC[C@@H]21 ZINC000088091290 136284424 /nfs/dbraw/zinc/28/44/24/136284424.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC000088091290 136284425 /nfs/dbraw/zinc/28/44/25/136284425.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC000088091290 136284426 /nfs/dbraw/zinc/28/44/26/136284426.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+](Cc1cccc2ncccc12)C[C@@H](O)C[NH3+] ZINC000634687864 343245039 /nfs/dbraw/zinc/24/50/39/343245039.db2.gz BLNHRKVNPZYALG-LBPRGKRZSA-N 2 1 245.326 0.986 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688422 343246373 /nfs/dbraw/zinc/24/63/73/343246373.db2.gz RTDBMKXZFJLOEZ-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908626 343327600 /nfs/dbraw/zinc/32/76/00/343327600.db2.gz KDHJJDXICLPTGG-VPOLOUISSA-N 2 1 200.326 0.686 20 0 BCADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000348753826 136296655 /nfs/dbraw/zinc/29/66/55/136296655.db2.gz XXRDNPURIQQEBR-LBPRGKRZSA-N 2 1 222.336 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000348753826 136296656 /nfs/dbraw/zinc/29/66/56/136296656.db2.gz XXRDNPURIQQEBR-LBPRGKRZSA-N 3 1 222.336 0.862 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000348753826 136296657 /nfs/dbraw/zinc/29/66/57/136296657.db2.gz XXRDNPURIQQEBR-LBPRGKRZSA-N 3 1 222.336 0.862 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@H]1C ZINC000348755448 136297161 /nfs/dbraw/zinc/29/71/61/136297161.db2.gz HVCGEDARQHCPCN-LLVKDONJSA-N 2 1 222.336 0.875 20 0 BCADMP Cc1[nH+]ccn1CCCN1CCO[C@@H](C[NH3+])C1 ZINC000348757252 136297209 /nfs/dbraw/zinc/29/72/09/136297209.db2.gz SYWYZVOERHAPAE-LBPRGKRZSA-N 2 1 238.335 0.241 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[NH2+]CC1 ZINC000348753898 136297293 /nfs/dbraw/zinc/29/72/93/136297293.db2.gz YNAIQGIEDOFALY-UHFFFAOYSA-N 2 1 208.309 0.487 20 0 BCADMP Cc1[nH+]ccn1CCCN1CCO[C@H](C[NH3+])C1 ZINC000348757251 136297347 /nfs/dbraw/zinc/29/73/47/136297347.db2.gz SYWYZVOERHAPAE-GFCCVEGCSA-N 2 1 238.335 0.241 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000069839432 343292450 /nfs/dbraw/zinc/29/24/50/343292450.db2.gz CJQUYKZSRQOZAG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000070831714 343341279 /nfs/dbraw/zinc/34/12/79/343341279.db2.gz IVJSKILOIPFQBO-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000070966317 343343528 /nfs/dbraw/zinc/34/35/28/343343528.db2.gz PNLCOULRTAXYEV-WOPDTQHZSA-N 2 1 210.321 0.992 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000070966317 343343529 /nfs/dbraw/zinc/34/35/29/343343529.db2.gz PNLCOULRTAXYEV-WOPDTQHZSA-N 2 1 210.321 0.992 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639386 136303505 /nfs/dbraw/zinc/30/35/05/136303505.db2.gz UGPMGKAXPUJJEO-JQWIXIFHSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335648362 136304316 /nfs/dbraw/zinc/30/43/16/136304316.db2.gz GDNFYBRURYNSIX-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH2+]C ZINC000357242870 343350263 /nfs/dbraw/zinc/35/02/63/343350263.db2.gz NLFSPSZVHJZJBM-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657950 136306985 /nfs/dbraw/zinc/30/69/85/136306985.db2.gz PRIQPZFNDXQOKK-RYUDHWBXSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335658449 136307178 /nfs/dbraw/zinc/30/71/78/136307178.db2.gz UKHGOPARTTVFKY-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166229727 136314890 /nfs/dbraw/zinc/31/48/90/136314890.db2.gz KVRWUUYWGBJKSZ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166229727 136314891 /nfs/dbraw/zinc/31/48/91/136314891.db2.gz KVRWUUYWGBJKSZ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000166233861 136315813 /nfs/dbraw/zinc/31/58/13/136315813.db2.gz HRSAEMWTIPFGPL-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000166233861 136315814 /nfs/dbraw/zinc/31/58/14/136315814.db2.gz HRSAEMWTIPFGPL-ZJUUUORDSA-N 2 1 208.309 0.589 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000335665413 136316533 /nfs/dbraw/zinc/31/65/33/136316533.db2.gz ZBWHMTIMGYZCKI-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000335665413 136316534 /nfs/dbraw/zinc/31/65/34/136316534.db2.gz ZBWHMTIMGYZCKI-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000335665413 136316535 /nfs/dbraw/zinc/31/65/35/136316535.db2.gz ZBWHMTIMGYZCKI-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084888 136322772 /nfs/dbraw/zinc/32/27/72/136322772.db2.gz ZKFCCEJRKDYNNV-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(=O)OC ZINC000310272568 343408114 /nfs/dbraw/zinc/40/81/14/343408114.db2.gz NRAYKPXMYPTKPH-MNOVXSKESA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(=O)OC ZINC000310272568 343408116 /nfs/dbraw/zinc/40/81/16/343408116.db2.gz NRAYKPXMYPTKPH-MNOVXSKESA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000310272568 343408117 /nfs/dbraw/zinc/40/81/17/343408117.db2.gz NRAYKPXMYPTKPH-MNOVXSKESA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000310272568 343408118 /nfs/dbraw/zinc/40/81/18/343408118.db2.gz NRAYKPXMYPTKPH-MNOVXSKESA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)OC ZINC000310272580 343408140 /nfs/dbraw/zinc/40/81/40/343408140.db2.gz NRAYKPXMYPTKPH-WDEREUQCSA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(=O)OC ZINC000310272580 343408142 /nfs/dbraw/zinc/40/81/42/343408142.db2.gz NRAYKPXMYPTKPH-WDEREUQCSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000310272580 343408146 /nfs/dbraw/zinc/40/81/46/343408146.db2.gz NRAYKPXMYPTKPH-WDEREUQCSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000310272580 343408147 /nfs/dbraw/zinc/40/81/47/343408147.db2.gz NRAYKPXMYPTKPH-WDEREUQCSA-N 2 1 246.351 0.040 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252709800 536876242 /nfs/dbraw/zinc/87/62/42/536876242.db2.gz DWIFAELSDXRBIG-QNWHQSFQSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252709800 536876248 /nfs/dbraw/zinc/87/62/48/536876248.db2.gz DWIFAELSDXRBIG-QNWHQSFQSA-N 2 1 242.363 0.863 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000335683017 136329402 /nfs/dbraw/zinc/32/94/02/136329402.db2.gz PQRGKXSGFCOMDX-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000335683017 136329403 /nfs/dbraw/zinc/32/94/03/136329403.db2.gz PQRGKXSGFCOMDX-CMPLNLGQSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335718447 136340503 /nfs/dbraw/zinc/34/05/03/136340503.db2.gz JTWXPUXKMXZDHF-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000082249324 343437940 /nfs/dbraw/zinc/43/79/40/343437940.db2.gz BEIUZAFDKDJMDP-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000350078540 136354060 /nfs/dbraw/zinc/35/40/60/136354060.db2.gz PKPVTRKIPWUVGN-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP CC[NH2+]Cc1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150150 362241091 /nfs/dbraw/zinc/24/10/91/362241091.db2.gz WSKWMEONEXBMJY-UHFFFAOYSA-N 2 1 248.334 0.983 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247967166 136373666 /nfs/dbraw/zinc/37/36/66/136373666.db2.gz IGLGSWNKPHOTIO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247967166 136373667 /nfs/dbraw/zinc/37/36/67/136373667.db2.gz IGLGSWNKPHOTIO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247967166 136373668 /nfs/dbraw/zinc/37/36/68/136373668.db2.gz IGLGSWNKPHOTIO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247967166 136373669 /nfs/dbraw/zinc/37/36/69/136373669.db2.gz IGLGSWNKPHOTIO-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261542413 136374548 /nfs/dbraw/zinc/37/45/48/136374548.db2.gz CBGBHYJFDANKJN-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CSCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379948387 365759949 /nfs/dbraw/zinc/75/99/49/365759949.db2.gz DLTXQJAJMKSBNR-LLVKDONJSA-N 2 1 232.393 0.784 20 0 BCADMP CSCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379948387 365759953 /nfs/dbraw/zinc/75/99/53/365759953.db2.gz DLTXQJAJMKSBNR-LLVKDONJSA-N 2 1 232.393 0.784 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000310449366 343498162 /nfs/dbraw/zinc/49/81/62/343498162.db2.gz ZSTRXLCOOPAZMO-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@@H]1[C@H](C(=O)N(C)CC2C[NH+](C)C2)CC[N@H+]1C ZINC000618189166 343499332 /nfs/dbraw/zinc/49/93/32/343499332.db2.gz YDLHVWWXOUKDKN-ZYHUDNBSSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618190509 343551823 /nfs/dbraw/zinc/55/18/23/343551823.db2.gz VYYYLDFOEQSLCU-LLVKDONJSA-N 2 1 239.363 0.348 20 0 BCADMP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000618190748 343557093 /nfs/dbraw/zinc/55/70/93/343557093.db2.gz DWWIGIYKGHPMTK-GFCCVEGCSA-N 2 1 239.363 0.491 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618195117 343620101 /nfs/dbraw/zinc/62/01/01/343620101.db2.gz WQJGWDQFYWBLLG-UHFFFAOYSA-N 2 1 227.352 0.347 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000518770429 259366258 /nfs/dbraw/zinc/36/62/58/259366258.db2.gz SUWLGPXICROMGP-ZMQQHQCJSA-N 2 1 242.363 0.358 20 0 BCADMP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000518770429 259366260 /nfs/dbraw/zinc/36/62/60/259366260.db2.gz SUWLGPXICROMGP-ZMQQHQCJSA-N 2 1 242.363 0.358 20 0 BCADMP CCC[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261693644 534946332 /nfs/dbraw/zinc/94/63/32/534946332.db2.gz BPTKENIVIVJFSF-NSHDSACASA-N 2 1 224.352 0.657 20 0 BCADMP CC[C@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165332 362248739 /nfs/dbraw/zinc/24/87/39/362248739.db2.gz BJWHRGPIKKRMRU-VIFPVBQESA-N 2 1 232.291 0.713 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487557913 529800553 /nfs/dbraw/zinc/80/05/53/529800553.db2.gz KVKGBRNZXAMJMQ-BAABZTOOSA-N 2 1 247.342 0.751 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487557913 529800555 /nfs/dbraw/zinc/80/05/55/529800555.db2.gz KVKGBRNZXAMJMQ-BAABZTOOSA-N 2 1 247.342 0.751 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487557914 529809934 /nfs/dbraw/zinc/80/99/34/529809934.db2.gz KVKGBRNZXAMJMQ-HSWBROFVSA-N 2 1 247.342 0.751 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487557914 529809935 /nfs/dbraw/zinc/80/99/35/529809935.db2.gz KVKGBRNZXAMJMQ-HSWBROFVSA-N 2 1 247.342 0.751 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418732559 192064904 /nfs/dbraw/zinc/06/49/04/192064904.db2.gz UUPDESOIXQKTHX-QWRGUYRKSA-N 2 1 240.351 0.283 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262566398 349858601 /nfs/dbraw/zinc/85/86/01/349858601.db2.gz DIJJLRJPVZJVGB-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP [NH3+][C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000584182635 343770771 /nfs/dbraw/zinc/77/07/71/343770771.db2.gz HDXINIZEBLBCIF-TUAOUCFPSA-N 3 1 211.353 0.988 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400454453 529839983 /nfs/dbraw/zinc/83/99/83/529839983.db2.gz POMDRQPINFWHER-VHSXEESVSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@H](CS(C)(=O)=O)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178973284 346969504 /nfs/dbraw/zinc/96/95/04/346969504.db2.gz XHIICLBTXFYTQT-SNVBAGLBSA-N 2 1 248.392 0.351 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000263265934 349861373 /nfs/dbraw/zinc/86/13/73/349861373.db2.gz NQZLXVBWFVNRDW-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570461391 323060353 /nfs/dbraw/zinc/06/03/53/323060353.db2.gz BYAGHARTBJJCHT-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570461391 323060354 /nfs/dbraw/zinc/06/03/54/323060354.db2.gz BYAGHARTBJJCHT-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000381044634 343886063 /nfs/dbraw/zinc/88/60/63/343886063.db2.gz GVCPYUCEAUAMPV-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000381044634 343886064 /nfs/dbraw/zinc/88/60/64/343886064.db2.gz GVCPYUCEAUAMPV-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000381044634 343886065 /nfs/dbraw/zinc/88/60/65/343886065.db2.gz GVCPYUCEAUAMPV-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641187696 362258323 /nfs/dbraw/zinc/25/83/23/362258323.db2.gz QVVBQHGFZHFQCP-UHFFFAOYSA-N 2 1 223.324 0.264 20 0 BCADMP c1c(C[NH+]2CCCC2)nnn1CC1CC[NH2+]CC1 ZINC000641232959 362284521 /nfs/dbraw/zinc/28/45/21/362284521.db2.gz MPMWIUNNVNRDNS-UHFFFAOYSA-N 2 1 249.362 0.874 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000634735893 344124033 /nfs/dbraw/zinc/12/40/33/344124033.db2.gz UNSCSFZUTVEFRQ-TUAOUCFPSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000634735892 344124459 /nfs/dbraw/zinc/12/44/59/344124459.db2.gz UNSCSFZUTVEFRQ-GRYCIOLGSA-N 2 1 210.321 0.564 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000130332496 344130847 /nfs/dbraw/zinc/13/08/47/344130847.db2.gz HMZYIDYEKRSSII-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000130462583 344140236 /nfs/dbraw/zinc/14/02/36/344140236.db2.gz MFMWRGBUOGHKMY-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000130454396 344140246 /nfs/dbraw/zinc/14/02/46/344140246.db2.gz KAIJEOPXHAIVIP-SNVBAGLBSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000130481690 344141598 /nfs/dbraw/zinc/14/15/98/344141598.db2.gz WTVNYTVJYHHCAN-CMPLNLGQSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)[C@H](C)O1 ZINC000384894151 344216107 /nfs/dbraw/zinc/21/61/07/344216107.db2.gz LRIXFAKSUCRVMN-URBCHYCLSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)O1 ZINC000384894151 344216110 /nfs/dbraw/zinc/21/61/10/344216110.db2.gz LRIXFAKSUCRVMN-URBCHYCLSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)O1 ZINC000384894151 344216112 /nfs/dbraw/zinc/21/61/12/344216112.db2.gz LRIXFAKSUCRVMN-URBCHYCLSA-N 2 1 242.363 0.597 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000622044291 344228153 /nfs/dbraw/zinc/22/81/53/344228153.db2.gz AAWKBNMKUIBDPA-AGIUHOORSA-N 2 1 239.363 0.727 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000400616402 529964545 /nfs/dbraw/zinc/96/45/45/529964545.db2.gz IZTIGNHGTFZCDZ-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000132018850 344267678 /nfs/dbraw/zinc/26/76/78/344267678.db2.gz LSLLVMLZUORYML-IUCAKERBSA-N 2 1 231.365 0.283 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769617 344283352 /nfs/dbraw/zinc/28/33/52/344283352.db2.gz HKBZITSFHQHGMV-YPMHNXCESA-N 2 1 248.330 0.450 20 0 BCADMP COC(=O)CCCC[N@@H+](C)C1CC([NH3+])C1 ZINC000600711752 344361641 /nfs/dbraw/zinc/36/16/41/344361641.db2.gz RVYRTMIPRBVGCV-UHFFFAOYSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747588 344368862 /nfs/dbraw/zinc/36/88/62/344368862.db2.gz YZYAHLUELCAPNE-BETUJISGSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747588 344368864 /nfs/dbraw/zinc/36/88/64/344368864.db2.gz YZYAHLUELCAPNE-BETUJISGSA-N 2 1 240.347 0.871 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000236826103 344406767 /nfs/dbraw/zinc/40/67/67/344406767.db2.gz DXMLAUDGRCPYCT-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000336765161 537846657 /nfs/dbraw/zinc/84/66/57/537846657.db2.gz NYFASWGCKRRWCM-UPJWGTAASA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000336765161 537846667 /nfs/dbraw/zinc/84/66/67/537846667.db2.gz NYFASWGCKRRWCM-UPJWGTAASA-N 2 1 224.348 0.831 20 0 BCADMP C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000380836388 344442717 /nfs/dbraw/zinc/44/27/17/344442717.db2.gz RRJNUHUBKHMGNS-MNOVXSKESA-N 2 1 223.324 0.195 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023746 344487043 /nfs/dbraw/zinc/48/70/43/344487043.db2.gz ZAMSGQAZDDQKKC-UTUOFQBUSA-N 2 1 239.363 0.713 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641413821 362404534 /nfs/dbraw/zinc/40/45/34/362404534.db2.gz QAUWYKJPSGXBAF-MNOVXSKESA-N 2 1 242.367 0.315 20 0 BCADMP Cn1ccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000044513835 344541517 /nfs/dbraw/zinc/54/15/17/344541517.db2.gz FCOGTDYGDMODFM-UHFFFAOYSA-N 2 1 208.309 0.591 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000044794824 344548009 /nfs/dbraw/zinc/54/80/09/344548009.db2.gz KWHBKUNLCDOQQJ-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612000 344552625 /nfs/dbraw/zinc/55/26/25/344552625.db2.gz RDHPOTACKIEJDB-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccnc1 ZINC000037632036 344555396 /nfs/dbraw/zinc/55/53/96/344555396.db2.gz WWJRQXSVBXJZAR-UHFFFAOYSA-N 2 1 234.347 0.419 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966910 344578953 /nfs/dbraw/zinc/57/89/53/344578953.db2.gz AHBBVKDOHBXBGF-JHJVBQTASA-N 2 1 241.379 0.376 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425955 362412752 /nfs/dbraw/zinc/41/27/52/362412752.db2.gz QZZMPQHUESBCFV-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000577867800 344639395 /nfs/dbraw/zinc/63/93/95/344639395.db2.gz ADMLFSCBNCVFTH-VWYCJHECSA-N 2 1 240.351 0.130 20 0 BCADMP Cc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000574289812 344733983 /nfs/dbraw/zinc/73/39/83/344733983.db2.gz AJXPSLWNIRKKER-WDEREUQCSA-N 2 1 246.314 0.138 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038865 344688483 /nfs/dbraw/zinc/68/84/83/344688483.db2.gz GCKJIYRTKKYSLH-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP OC[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CO ZINC000077317814 344816373 /nfs/dbraw/zinc/81/63/73/344816373.db2.gz NLFDFXLSEISWHZ-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CC(C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761291 537865183 /nfs/dbraw/zinc/86/51/83/537865183.db2.gz GGTHLBCMOTYAEP-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761291 537865191 /nfs/dbraw/zinc/86/51/91/537865191.db2.gz GGTHLBCMOTYAEP-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761108 537864352 /nfs/dbraw/zinc/86/43/52/537864352.db2.gz GGTHLBCMOTYAEP-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761108 537864357 /nfs/dbraw/zinc/86/43/57/537864357.db2.gz GGTHLBCMOTYAEP-LLVKDONJSA-N 2 1 200.326 0.783 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000582127376 344898120 /nfs/dbraw/zinc/89/81/20/344898120.db2.gz SZSFOLLGMNJICO-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2C)CCO1 ZINC000579354948 344956404 /nfs/dbraw/zinc/95/64/04/344956404.db2.gz RWQXEBLZLPYZPL-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2C)CCO1 ZINC000579354948 344956407 /nfs/dbraw/zinc/95/64/07/344956407.db2.gz RWQXEBLZLPYZPL-NWDGAFQWSA-N 2 1 227.352 0.001 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000153739000 344962692 /nfs/dbraw/zinc/96/26/92/344962692.db2.gz GHEGNJIMUAOFSF-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000153738898 344963019 /nfs/dbraw/zinc/96/30/19/344963019.db2.gz GHEGNJIMUAOFSF-STQMWFEESA-N 2 1 244.379 0.969 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155004932 345063276 /nfs/dbraw/zinc/06/32/76/345063276.db2.gz XPPKRQIIJMJSOW-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000187923570 323083836 /nfs/dbraw/zinc/08/38/36/323083836.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059964 345122647 /nfs/dbraw/zinc/12/26/47/345122647.db2.gz YQSFJRPGJDSKRB-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059964 345122649 /nfs/dbraw/zinc/12/26/49/345122649.db2.gz YQSFJRPGJDSKRB-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP OCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155823990 345107680 /nfs/dbraw/zinc/10/76/80/345107680.db2.gz MNMZLHWDYDGDSB-NWDGAFQWSA-N 2 1 228.336 0.212 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000634990758 345173185 /nfs/dbraw/zinc/17/31/85/345173185.db2.gz BEAQKYCQJPAQCW-CYBMUJFWSA-N 3 1 242.411 0.054 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000634991741 345178193 /nfs/dbraw/zinc/17/81/93/345178193.db2.gz QAENKUGTNNXRAY-GRYCIOLGSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000634991741 345178194 /nfs/dbraw/zinc/17/81/94/345178194.db2.gz QAENKUGTNNXRAY-GRYCIOLGSA-N 3 1 213.369 0.886 20 0 BCADMP CN(CC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000634992618 345181124 /nfs/dbraw/zinc/18/11/24/345181124.db2.gz VZPNPWBFDWHMSJ-QRMWWUJWSA-N 2 1 235.375 0.907 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(CC34CC(C3)C[NH2+]4)[C@@H]2C1 ZINC000634994577 345181512 /nfs/dbraw/zinc/18/15/12/345181512.db2.gz HQHSDNALBOUUEX-YIFLHPOLSA-N 2 1 235.375 0.764 20 0 BCADMP CC(C)[C@@H](C[NH3+])CN1CCC(O)(C[NH3+])CC1 ZINC000634996852 345184520 /nfs/dbraw/zinc/18/45/20/345184520.db2.gz XBLOMSJFLULAHY-NSHDSACASA-N 2 1 229.368 0.003 20 0 BCADMP OC[C@@H](Cc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996841 345184624 /nfs/dbraw/zinc/18/46/24/345184624.db2.gz WVRQBPGANSNZBF-SHARSMKWSA-N 2 1 246.354 0.932 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000634995745 345185134 /nfs/dbraw/zinc/18/51/34/345185134.db2.gz NRJJWCLRTCHLGZ-IJLUTSLNSA-N 3 1 213.369 0.947 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000634995896 345185902 /nfs/dbraw/zinc/18/59/02/345185902.db2.gz SDSDNZQHODGUQS-NEPJUHHUSA-N 3 1 229.368 0.185 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+]CCC[NH2+]C1CC1 ZINC000634996022 345186075 /nfs/dbraw/zinc/18/60/75/345186075.db2.gz WRJQOCMCLHTGBI-LLVKDONJSA-N 3 1 213.369 0.949 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000634998386 345198316 /nfs/dbraw/zinc/19/83/16/345198316.db2.gz FBSBQILYDGIYOA-CMPLNLGQSA-N 2 1 249.362 0.569 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000634998386 345198319 /nfs/dbraw/zinc/19/83/19/345198319.db2.gz FBSBQILYDGIYOA-CMPLNLGQSA-N 2 1 249.362 0.569 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C1C[NH2+]C1 ZINC000635013679 345218194 /nfs/dbraw/zinc/21/81/94/345218194.db2.gz UXQKFIAWSQCCIO-MWLCHTKSSA-N 2 1 220.320 0.916 20 0 BCADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000635349647 345318345 /nfs/dbraw/zinc/31/83/45/345318345.db2.gz ZOUBWYLGFIRDEO-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335373538 345339094 /nfs/dbraw/zinc/33/90/94/345339094.db2.gz AGQBJCSMCKNRAW-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335373538 345339097 /nfs/dbraw/zinc/33/90/97/345339097.db2.gz AGQBJCSMCKNRAW-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000159593400 345445338 /nfs/dbraw/zinc/44/53/38/345445338.db2.gz HWIJTXRMNMKRIJ-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP COCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000159593400 345445340 /nfs/dbraw/zinc/44/53/40/345445340.db2.gz HWIJTXRMNMKRIJ-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+](C)C ZINC000635538215 345506706 /nfs/dbraw/zinc/50/67/06/345506706.db2.gz IZSGPIXOEIMBKT-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252772570 345584467 /nfs/dbraw/zinc/58/44/67/345584467.db2.gz MDNSLVJPPBPXBT-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252772570 345584470 /nfs/dbraw/zinc/58/44/70/345584470.db2.gz MDNSLVJPPBPXBT-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635548945 345591388 /nfs/dbraw/zinc/59/13/88/345591388.db2.gz ZHALUDOHGANDFR-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000563116086 323093489 /nfs/dbraw/zinc/09/34/89/323093489.db2.gz XWNNCOMKAFJHEN-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H](Cc1nc(C[NH3+])no1)[C@H]1CCC[NH2+]C1 ZINC000563118338 323093853 /nfs/dbraw/zinc/09/38/53/323093853.db2.gz BSVSSYOWSRFQPH-IUCAKERBSA-N 2 1 224.308 0.707 20 0 BCADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000111824822 345691018 /nfs/dbraw/zinc/69/10/18/345691018.db2.gz KVYQHBMRYZEAES-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1CC1CC[NH2+]CC1 ZINC000111824822 345691019 /nfs/dbraw/zinc/69/10/19/345691019.db2.gz KVYQHBMRYZEAES-WDEREUQCSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000635559462 345753031 /nfs/dbraw/zinc/75/30/31/345753031.db2.gz BKVJTNAQVXCZRS-ZYHUDNBSSA-N 2 1 239.363 0.632 20 0 BCADMP CC[NH+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000147104800 345710487 /nfs/dbraw/zinc/71/04/87/345710487.db2.gz OAEZSTFNBPLRGI-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000212153087 345725206 /nfs/dbraw/zinc/72/52/06/345725206.db2.gz CKVUTCWIOHESMQ-GFCCVEGCSA-N 2 1 239.363 0.670 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600986349 345772210 /nfs/dbraw/zinc/77/22/10/345772210.db2.gz WGSLNSHGIHTLNZ-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600986349 345772214 /nfs/dbraw/zinc/77/22/14/345772214.db2.gz WGSLNSHGIHTLNZ-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600986349 345772217 /nfs/dbraw/zinc/77/22/17/345772217.db2.gz WGSLNSHGIHTLNZ-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635592549 345884743 /nfs/dbraw/zinc/88/47/43/345884743.db2.gz VDBCWYAESJDGDW-VXGBXAGGSA-N 2 1 241.379 0.735 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635592549 345884746 /nfs/dbraw/zinc/88/47/46/345884746.db2.gz VDBCWYAESJDGDW-VXGBXAGGSA-N 2 1 241.379 0.735 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635641031 345914356 /nfs/dbraw/zinc/91/43/56/345914356.db2.gz OSNRAJWZXKJCBO-NSHDSACASA-N 2 1 227.352 0.348 20 0 BCADMP CN(CC[NH+](C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635641030 345914366 /nfs/dbraw/zinc/91/43/66/345914366.db2.gz OSNRAJWZXKJCBO-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP COC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400947764 345932718 /nfs/dbraw/zinc/93/27/18/345932718.db2.gz AXXQBEZJNWAZJU-CHWFTXMASA-N 2 1 226.320 0.526 20 0 BCADMP C[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000635677449 345974448 /nfs/dbraw/zinc/97/44/48/345974448.db2.gz SKSUMVOXBFYTAB-FOGDFJRCSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000635781287 346055903 /nfs/dbraw/zinc/05/59/03/346055903.db2.gz ZNHZVHLGTLQRJQ-UTUOFQBUSA-N 2 1 239.363 0.489 20 0 BCADMP CN(CCC[NH+](C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635768244 346058729 /nfs/dbraw/zinc/05/87/29/346058729.db2.gz CWJCZINEDHQISK-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CCC[N@@H+](C)C1CCN(CCO)CC1 ZINC000148045387 346032090 /nfs/dbraw/zinc/03/20/90/346032090.db2.gz VBYGSHQWKGOFCZ-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635885125 346102277 /nfs/dbraw/zinc/10/22/77/346102277.db2.gz URHJKNGZAUWTNR-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000635953864 346123182 /nfs/dbraw/zinc/12/31/82/346123182.db2.gz NTDHQWDUTMNAEL-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+](C)C ZINC000635975334 346130000 /nfs/dbraw/zinc/13/00/00/346130000.db2.gz XDYJGOLORQPJSJ-YPMHNXCESA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636028899 346164962 /nfs/dbraw/zinc/16/49/62/346164962.db2.gz GZJGMIFGCRCWCE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636028899 346164965 /nfs/dbraw/zinc/16/49/65/346164965.db2.gz GZJGMIFGCRCWCE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000636034047 346170618 /nfs/dbraw/zinc/17/06/18/346170618.db2.gz GDCLKEDGJNNFJH-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636013190 346154929 /nfs/dbraw/zinc/15/49/29/346154929.db2.gz UKIYXFQLVYRJOZ-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000636020228 346158632 /nfs/dbraw/zinc/15/86/32/346158632.db2.gz RUJWCXJKGVLNON-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628239538 346200266 /nfs/dbraw/zinc/20/02/66/346200266.db2.gz VHYNTQDTUPHJAH-NEPJUHHUSA-N 2 1 244.404 0.928 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628239538 346200268 /nfs/dbraw/zinc/20/02/68/346200268.db2.gz VHYNTQDTUPHJAH-NEPJUHHUSA-N 2 1 244.404 0.928 20 0 BCADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000062073895 346198179 /nfs/dbraw/zinc/19/81/79/346198179.db2.gz PMPZVCDOEFOGBG-SNVBAGLBSA-N 2 1 221.304 0.871 20 0 BCADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000062073895 346198180 /nfs/dbraw/zinc/19/81/80/346198180.db2.gz PMPZVCDOEFOGBG-SNVBAGLBSA-N 2 1 221.304 0.871 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069278181 349943603 /nfs/dbraw/zinc/94/36/03/349943603.db2.gz BHDOVZHGTVVRBF-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069278181 349943609 /nfs/dbraw/zinc/94/36/09/349943609.db2.gz BHDOVZHGTVVRBF-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000673877227 488310934 /nfs/dbraw/zinc/31/09/34/488310934.db2.gz ZCTNPVSIYBPZOH-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626522 349951204 /nfs/dbraw/zinc/95/12/04/349951204.db2.gz QIDNCFGJJNAGML-NXEZZACHSA-N 2 1 213.325 0.311 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CC)[NH+](C)C ZINC000574904115 346311908 /nfs/dbraw/zinc/31/19/08/346311908.db2.gz OYWYJNNHPYREAN-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CC)[NH+](C)C ZINC000574904115 346311910 /nfs/dbraw/zinc/31/19/10/346311910.db2.gz OYWYJNNHPYREAN-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH+](C)CCCNC(=O)CC(F)(F)C[NH3+] ZINC000563337715 323119127 /nfs/dbraw/zinc/11/91/27/323119127.db2.gz YQOKQYDQPQHMSO-UHFFFAOYSA-N 2 1 223.267 0.038 20 0 BCADMP COC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729968 349954026 /nfs/dbraw/zinc/95/40/26/349954026.db2.gz HSTBSWQFLRLVCI-UHFFFAOYSA-N 2 1 200.282 0.220 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000069840025 349962229 /nfs/dbraw/zinc/96/22/29/349962229.db2.gz KHXXMVWCDNFTLB-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248942649 346461886 /nfs/dbraw/zinc/46/18/86/346461886.db2.gz AAWDSAKXXYMWMI-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[NH2+]C[C@](C)(F)C1 ZINC000641799539 362748837 /nfs/dbraw/zinc/74/88/37/362748837.db2.gz QTHUYVCHSGHCKM-LBPRGKRZSA-N 2 1 240.326 0.596 20 0 BCADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805539 362762671 /nfs/dbraw/zinc/76/26/71/362762671.db2.gz NKWVHZUTGLTIAB-LPEHRKFASA-N 2 1 227.352 0.617 20 0 BCADMP CN(CC1CC1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800673 362751470 /nfs/dbraw/zinc/75/14/70/362751470.db2.gz CWMMAQYPZOWIHG-GHMZBOCLSA-N 2 1 239.363 0.570 20 0 BCADMP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000580075855 346513416 /nfs/dbraw/zinc/51/34/16/346513416.db2.gz DAAYBKHZEDFAKP-LPEHRKFASA-N 2 1 243.376 0.283 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000641800754 362753175 /nfs/dbraw/zinc/75/31/75/362753175.db2.gz FHXTWMVTSAEHGR-NXEZZACHSA-N 2 1 248.392 0.527 20 0 BCADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801270 362754850 /nfs/dbraw/zinc/75/48/50/362754850.db2.gz OQLYZWQSONODBG-IVZWLZJFSA-N 2 1 225.336 0.323 20 0 BCADMP CC[C@H]([NH2+]C[C@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000574981267 346489852 /nfs/dbraw/zinc/48/98/52/346489852.db2.gz MIBYMSMHNGJTGT-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccn2)C[C@@H]1[NH3+] ZINC000641801565 362756890 /nfs/dbraw/zinc/75/68/90/362756890.db2.gz SOZUCFRYYYUBKP-VHSXEESVSA-N 2 1 248.330 0.736 20 0 BCADMP CN(C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641802149 362757957 /nfs/dbraw/zinc/75/79/57/362757957.db2.gz YEAXBQFKZILTLC-UWVGGRQHSA-N 2 1 225.336 0.323 20 0 BCADMP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH2+]C1 ZINC000580714759 346647829 /nfs/dbraw/zinc/64/78/29/346647829.db2.gz BIPKSECVMXCKMP-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH2+]C1 ZINC000580714759 346647830 /nfs/dbraw/zinc/64/78/30/346647830.db2.gz BIPKSECVMXCKMP-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000580201561 346658366 /nfs/dbraw/zinc/65/83/66/346658366.db2.gz UGDJQKGDOZSKGH-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000580650303 365844930 /nfs/dbraw/zinc/84/49/30/365844930.db2.gz VZWPKVJBMILYGA-ONGXEEELSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000580650303 365844934 /nfs/dbraw/zinc/84/49/34/365844934.db2.gz VZWPKVJBMILYGA-ONGXEEELSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697294 346778676 /nfs/dbraw/zinc/77/86/76/346778676.db2.gz GNFUOPHEYSOGOD-OPRDCNLKSA-N 2 1 225.336 0.323 20 0 BCADMP CC(=O)NCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000308204746 346747489 /nfs/dbraw/zinc/74/74/89/346747489.db2.gz XTWJBVWKAAXHQO-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CC(C)[C@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641820011 362770798 /nfs/dbraw/zinc/77/07/98/362770798.db2.gz LDHCMBNNHPPXFU-CYBMUJFWSA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766809 346793389 /nfs/dbraw/zinc/79/33/89/346793389.db2.gz URQKOGYUTMWHSP-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1CO ZINC000622003592 370654403 /nfs/dbraw/zinc/65/44/03/370654403.db2.gz BZPDBNPLRXYQQT-NXEZZACHSA-N 2 1 200.326 0.674 20 0 BCADMP Cn1cncc1CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641825569 362775538 /nfs/dbraw/zinc/77/55/38/362775538.db2.gz ZMSHLVIXEQUDIE-OKILXGFUSA-N 2 1 248.374 0.894 20 0 BCADMP Cn1cncc1CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641825569 362775545 /nfs/dbraw/zinc/77/55/45/362775545.db2.gz ZMSHLVIXEQUDIE-OKILXGFUSA-N 3 1 248.374 0.894 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000622004682 370656009 /nfs/dbraw/zinc/65/60/09/370656009.db2.gz SKDOXFHEYDHGGQ-AGIUHOORSA-N 2 1 226.364 0.936 20 0 BCADMP C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])C[C@H](C)[N@@H+]1C ZINC000641862549 362790411 /nfs/dbraw/zinc/79/04/11/362790411.db2.gz PFNRMXWVVJBHMA-XTDHWIJXSA-N 2 1 240.351 0.235 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](OC)C1 ZINC000571337262 323141836 /nfs/dbraw/zinc/14/18/36/323141836.db2.gz SIXOYZDNNSBSAX-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000310307302 347260664 /nfs/dbraw/zinc/26/06/64/347260664.db2.gz SAFWZIWLTPRPCN-DTWKUNHWSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019438565 347324091 /nfs/dbraw/zinc/32/40/91/347324091.db2.gz SFAPKWORBPQQGO-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280816 347328678 /nfs/dbraw/zinc/32/86/78/347328678.db2.gz DCNSTDOTIQHMRO-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000353958962 187374584 /nfs/dbraw/zinc/37/45/84/187374584.db2.gz IIUBATFTHUWFCN-LLVKDONJSA-N 2 1 229.368 0.783 20 0 BCADMP C[C@H](N[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453146 362821315 /nfs/dbraw/zinc/82/13/15/362821315.db2.gz KSAPQFGJIOEMIJ-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380839564 347399245 /nfs/dbraw/zinc/39/92/45/347399245.db2.gz TUYSVJWNQXZICN-VWYCJHECSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380839564 347399246 /nfs/dbraw/zinc/39/92/46/347399246.db2.gz TUYSVJWNQXZICN-VWYCJHECSA-N 2 1 225.336 0.004 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCC[NH2+]1 ZINC000333337845 537989738 /nfs/dbraw/zinc/98/97/38/537989738.db2.gz XKPBWOKEEGXTJU-YUSALJHKSA-N 2 1 234.347 0.997 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCC[NH3+] ZINC000020420049 347447266 /nfs/dbraw/zinc/44/72/66/347447266.db2.gz ZCKALXGUDWOHTH-VIFPVBQESA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC[NH3+] ZINC000020420049 347447267 /nfs/dbraw/zinc/44/72/67/347447267.db2.gz ZCKALXGUDWOHTH-VIFPVBQESA-N 2 1 215.341 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215824 365885222 /nfs/dbraw/zinc/88/52/22/365885222.db2.gz TYYUDSUDRRLUOP-MXWKQRLJSA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000054133666 347469108 /nfs/dbraw/zinc/46/91/08/347469108.db2.gz SGCNLQMXSPSIFR-VIFPVBQESA-N 2 1 201.314 0.180 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382950358 347506566 /nfs/dbraw/zinc/50/65/66/347506566.db2.gz LMHRIEBOGOWFKQ-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000367289900 187377913 /nfs/dbraw/zinc/37/79/13/187377913.db2.gz DJPWXJFLTOMACF-HTQZYQBOSA-N 2 1 235.278 0.085 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617014914 347582613 /nfs/dbraw/zinc/58/26/13/347582613.db2.gz QVQAOEJKVVKCTO-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617014914 347582616 /nfs/dbraw/zinc/58/26/16/347582616.db2.gz QVQAOEJKVVKCTO-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591418429 347656903 /nfs/dbraw/zinc/65/69/03/347656903.db2.gz BDTPHHBPNDLERD-LLVKDONJSA-N 2 1 241.379 0.642 20 0 BCADMP Cc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000042436004 179269804 /nfs/dbraw/zinc/26/98/04/179269804.db2.gz IONBPNCNTYFPSQ-LBPRGKRZSA-N 2 1 208.305 0.746 20 0 BCADMP C[C@]1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900555 323151912 /nfs/dbraw/zinc/15/19/12/323151912.db2.gz DWBYTMOKSKSADM-STQMWFEESA-N 3 1 225.380 0.965 20 0 BCADMP COC(=O)C1(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000592439094 347779259 /nfs/dbraw/zinc/77/92/59/347779259.db2.gz ZYGVBOYKUZYUTC-UWVGGRQHSA-N 2 1 226.320 0.527 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000308534947 347820276 /nfs/dbraw/zinc/82/02/76/347820276.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000308534947 347820282 /nfs/dbraw/zinc/82/02/82/347820282.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000308534947 347820284 /nfs/dbraw/zinc/82/02/84/347820284.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000592853318 347823503 /nfs/dbraw/zinc/82/35/03/347823503.db2.gz GVARSXSELWTKQL-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000592853346 347823685 /nfs/dbraw/zinc/82/36/85/347823685.db2.gz GVARSXSELWTKQL-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCOC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592494373 347788571 /nfs/dbraw/zinc/78/85/71/347788571.db2.gz SPCGFHZGVRRGOA-NSHDSACASA-N 2 1 240.347 0.871 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC(C)C1 ZINC000577386874 365941557 /nfs/dbraw/zinc/94/15/57/365941557.db2.gz VUKYAYHFGWIPMG-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386874 365941558 /nfs/dbraw/zinc/94/15/58/365941558.db2.gz VUKYAYHFGWIPMG-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CC(C)C1 ZINC000577386874 365941559 /nfs/dbraw/zinc/94/15/59/365941559.db2.gz VUKYAYHFGWIPMG-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP C[N@@H+](CCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000038031481 348031206 /nfs/dbraw/zinc/03/12/06/348031206.db2.gz DAQIVMAFISYZPX-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595144564 348198714 /nfs/dbraw/zinc/19/87/14/348198714.db2.gz GDETXNRNECHPPO-LLVKDONJSA-N 2 1 249.362 0.609 20 0 BCADMP COC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508358 348265203 /nfs/dbraw/zinc/26/52/03/348265203.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508358 348265206 /nfs/dbraw/zinc/26/52/06/348265206.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508358 348265207 /nfs/dbraw/zinc/26/52/07/348265207.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508358 348265209 /nfs/dbraw/zinc/26/52/09/348265209.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 2 1 240.347 0.967 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1CCCO ZINC000336655865 187393572 /nfs/dbraw/zinc/39/35/72/187393572.db2.gz ACGBEFVLMULKDP-SNVBAGLBSA-N 2 1 200.326 0.961 20 0 BCADMP COC(=O)CC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000619647693 362899284 /nfs/dbraw/zinc/89/92/84/362899284.db2.gz ABWBDYXFUSYXFV-QWRGUYRKSA-N 2 1 238.331 0.481 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308984114 323183501 /nfs/dbraw/zinc/18/35/01/323183501.db2.gz GAOBHQADWPXZIJ-NXEZZACHSA-N 2 1 212.293 0.091 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000050393967 187395233 /nfs/dbraw/zinc/39/52/33/187395233.db2.gz DSRQOJCRWZPBAT-GFCCVEGCSA-N 2 1 239.363 0.727 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496321 362919930 /nfs/dbraw/zinc/91/99/30/362919930.db2.gz QTRLNUDFTRPDAQ-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496321 362919937 /nfs/dbraw/zinc/91/99/37/362919937.db2.gz QTRLNUDFTRPDAQ-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP COC(=O)C12CC(C1)C[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000595902781 348395547 /nfs/dbraw/zinc/39/55/47/348395547.db2.gz OGZOXOVWZINJJF-XSRFYTQQSA-N 2 1 238.331 0.623 20 0 BCADMP COC(=O)C12CC(C1)C[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000595902782 348395554 /nfs/dbraw/zinc/39/55/54/348395554.db2.gz OGZOXOVWZINJJF-ZBOXLXRLSA-N 2 1 238.331 0.623 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH3+])C1 ZINC000420146003 192163919 /nfs/dbraw/zinc/16/39/19/192163919.db2.gz POUSRFJXJFIOKV-SECBINFHSA-N 2 1 235.287 0.796 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623506320 362931462 /nfs/dbraw/zinc/93/14/62/362931462.db2.gz NLHUYHXBVYFOCW-QWRGUYRKSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N(C)C ZINC000623506320 362931468 /nfs/dbraw/zinc/93/14/68/362931468.db2.gz NLHUYHXBVYFOCW-QWRGUYRKSA-N 2 1 241.379 0.926 20 0 BCADMP CCC[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000308865466 348979974 /nfs/dbraw/zinc/97/99/74/348979974.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 1 218.341 0.267 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920371 349094099 /nfs/dbraw/zinc/09/40/99/349094099.db2.gz JHTPKFYUIGVNHV-MNOVXSKESA-N 2 1 225.336 0.278 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCCC1 ZINC000421829900 192386410 /nfs/dbraw/zinc/38/64/10/192386410.db2.gz JGMMVRZBPPGNND-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251857560 349192457 /nfs/dbraw/zinc/19/24/57/349192457.db2.gz SDCNCXXKNWAFLQ-NXEZZACHSA-N 2 1 214.309 0.609 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507750 349174365 /nfs/dbraw/zinc/17/43/65/349174365.db2.gz AHRNZIAWHHVKHU-NWDGAFQWSA-N 2 1 214.353 0.935 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250522427 349175264 /nfs/dbraw/zinc/17/52/64/349175264.db2.gz TYXWYLDIRDPVBW-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252773364 349213470 /nfs/dbraw/zinc/21/34/70/349213470.db2.gz JGYQQNHSPUJMFZ-IVZWLZJFSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)CC[N@H+]1C ZINC000530222439 323218634 /nfs/dbraw/zinc/21/86/34/323218634.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000082924206 349243799 /nfs/dbraw/zinc/24/37/99/349243799.db2.gz SKTZDOMUUXPHJW-VIFPVBQESA-N 2 1 221.308 0.341 20 0 BCADMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000082924205 349243845 /nfs/dbraw/zinc/24/38/45/349243845.db2.gz SKTZDOMUUXPHJW-SECBINFHSA-N 2 1 221.308 0.341 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOC1 ZINC000071012872 190987401 /nfs/dbraw/zinc/98/74/01/190987401.db2.gz YCKYMAQQSSEVPL-LLVKDONJSA-N 2 1 209.293 0.960 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000131417303 191011019 /nfs/dbraw/zinc/01/10/19/191011019.db2.gz TYXRDQVEPUEHHY-NXEZZACHSA-N 2 1 218.366 0.394 20 0 BCADMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000603906959 350049305 /nfs/dbraw/zinc/04/93/05/350049305.db2.gz CXBNLFOOUBVIHR-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC(=O)OC)C1 ZINC000070799613 350060405 /nfs/dbraw/zinc/06/04/05/350060405.db2.gz LUIQQXOGLCPURO-JTQLQIEISA-N 2 1 214.309 0.481 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000563106906 350062479 /nfs/dbraw/zinc/06/24/79/350062479.db2.gz UIWMTXXQXRCIDW-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106884 350062792 /nfs/dbraw/zinc/06/27/92/350062792.db2.gz QOKQSXADFZVKGR-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000604324410 350101949 /nfs/dbraw/zinc/10/19/49/350101949.db2.gz IYMVPLKCSFISBN-PHIMTYICSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000604324410 350101952 /nfs/dbraw/zinc/10/19/52/350101952.db2.gz IYMVPLKCSFISBN-PHIMTYICSA-N 2 1 240.347 0.869 20 0 BCADMP Cc1noc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000383999920 350106317 /nfs/dbraw/zinc/10/63/17/350106317.db2.gz MSJGEDKQORTFJL-PHIMTYICSA-N 2 1 236.319 0.809 20 0 BCADMP COCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389818 350119277 /nfs/dbraw/zinc/11/92/77/350119277.db2.gz VOWFLQIDHVTESV-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP COCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389818 350119285 /nfs/dbraw/zinc/11/92/85/350119285.db2.gz VOWFLQIDHVTESV-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+]C2COCCOC2)CC1(C)C ZINC000623530019 362949890 /nfs/dbraw/zinc/94/98/90/362949890.db2.gz JFPZDYDCSSBEQE-LLVKDONJSA-N 2 1 242.363 0.864 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C2COCCOC2)CC1(C)C ZINC000623530019 362949895 /nfs/dbraw/zinc/94/98/95/362949895.db2.gz JFPZDYDCSSBEQE-LLVKDONJSA-N 2 1 242.363 0.864 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219997396 350154640 /nfs/dbraw/zinc/15/46/40/350154640.db2.gz GMFQYOXQIFXQJW-MWLCHTKSSA-N 2 1 227.352 0.569 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(F)(F)CN ZINC000427152003 191055037 /nfs/dbraw/zinc/05/50/37/191055037.db2.gz GWLQCLQYJAINGA-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427152003 191055042 /nfs/dbraw/zinc/05/50/42/191055042.db2.gz GWLQCLQYJAINGA-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C1(C[NH3+])CCCC1 ZINC000427295314 191058058 /nfs/dbraw/zinc/05/80/58/191058058.db2.gz ITZBRJQTMMIAHU-UHFFFAOYSA-N 2 1 235.278 0.216 20 0 BCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000111635742 350181660 /nfs/dbraw/zinc/18/16/60/350181660.db2.gz AGYVBOPVYZSWQO-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000111635742 350181662 /nfs/dbraw/zinc/18/16/62/350181662.db2.gz AGYVBOPVYZSWQO-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000230191469 490388122 /nfs/dbraw/zinc/38/81/22/490388122.db2.gz XIUJSVBFFLOZJB-DCAQKATOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000230191469 490388129 /nfs/dbraw/zinc/38/81/29/490388129.db2.gz XIUJSVBFFLOZJB-DCAQKATOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000230191414 490388147 /nfs/dbraw/zinc/38/81/47/490388147.db2.gz IIQVLAGHDAFYGW-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)CO ZINC000120512087 180236384 /nfs/dbraw/zinc/23/63/84/180236384.db2.gz GWAKFLAFTWTPAW-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CO ZINC000120512087 180236387 /nfs/dbraw/zinc/23/63/87/180236387.db2.gz GWAKFLAFTWTPAW-JTQLQIEISA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)CO ZINC000120512239 180236598 /nfs/dbraw/zinc/23/65/98/180236598.db2.gz GWAKFLAFTWTPAW-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CO ZINC000120512239 180236601 /nfs/dbraw/zinc/23/66/01/180236601.db2.gz GWAKFLAFTWTPAW-SNVBAGLBSA-N 2 1 211.309 0.894 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000269222594 180245644 /nfs/dbraw/zinc/24/56/44/180245644.db2.gz ANFOXONXDLPJLG-LLVKDONJSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000269222595 180243903 /nfs/dbraw/zinc/24/39/03/180243903.db2.gz ANFOXONXDLPJLG-NSHDSACASA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)CCC[NH3+] ZINC000309294680 180244536 /nfs/dbraw/zinc/24/45/36/180244536.db2.gz REOPOWHLMUMJTC-UHFFFAOYSA-N 2 1 224.308 0.437 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOC1 ZINC000071012874 180261826 /nfs/dbraw/zinc/26/18/26/180261826.db2.gz YCKYMAQQSSEVPL-NSHDSACASA-N 2 1 209.293 0.960 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnnn1C ZINC000267546642 180265147 /nfs/dbraw/zinc/26/51/47/180265147.db2.gz ZTGMQUBRXKQOII-SNVBAGLBSA-N 2 1 248.334 0.746 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC000293449935 180266869 /nfs/dbraw/zinc/26/68/69/180266869.db2.gz CLOAUNALYKQCBR-JTQLQIEISA-N 2 1 248.334 0.746 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H](C)C1 ZINC000223730935 350285379 /nfs/dbraw/zinc/28/53/79/350285379.db2.gz MFRHOGXEXLBVKN-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000178847743 180269674 /nfs/dbraw/zinc/26/96/74/180269674.db2.gz QZEZVSGYRJFCLL-MWLCHTKSSA-N 2 1 236.319 0.530 20 0 BCADMP CC[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309418289 350378940 /nfs/dbraw/zinc/37/89/40/350378940.db2.gz LBOIPDWLUIHEOR-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309418289 350378943 /nfs/dbraw/zinc/37/89/43/350378943.db2.gz LBOIPDWLUIHEOR-ZYHUDNBSSA-N 2 1 230.352 0.192 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261869159 535134883 /nfs/dbraw/zinc/13/48/83/535134883.db2.gz QIEXGJJUAGSVNN-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCS1)C1CC1 ZINC000381023649 350498162 /nfs/dbraw/zinc/49/81/62/350498162.db2.gz XDCYDVQXFGSKQA-NWDGAFQWSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCS1)C1CC1 ZINC000381023649 350498166 /nfs/dbraw/zinc/49/81/66/350498166.db2.gz XDCYDVQXFGSKQA-NWDGAFQWSA-N 2 1 244.404 0.927 20 0 BCADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543899 362964383 /nfs/dbraw/zinc/96/43/83/362964383.db2.gz CHUYGSHZXVDION-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543899 362964389 /nfs/dbraw/zinc/96/43/89/362964389.db2.gz CHUYGSHZXVDION-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547765 362968390 /nfs/dbraw/zinc/96/83/90/362968390.db2.gz BFVPSGQGKRMBJK-GRYCIOLGSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547765 362968397 /nfs/dbraw/zinc/96/83/97/362968397.db2.gz BFVPSGQGKRMBJK-GRYCIOLGSA-N 2 1 242.363 0.863 20 0 BCADMP Cn1cncc1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000570964193 350668039 /nfs/dbraw/zinc/66/80/39/350668039.db2.gz HIKHIIBWPXZDPH-NSHDSACASA-N 2 1 241.360 0.984 20 0 BCADMP Cn1cncc1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000570964193 350668040 /nfs/dbraw/zinc/66/80/40/350668040.db2.gz HIKHIIBWPXZDPH-NSHDSACASA-N 2 1 241.360 0.984 20 0 BCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237882349 350756159 /nfs/dbraw/zinc/75/61/59/350756159.db2.gz DVFFZCHNPXTMHR-ZDUSSCGKSA-N 2 1 247.342 0.726 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079515870 351070260 /nfs/dbraw/zinc/07/02/60/351070260.db2.gz BTBGHFPGLBMUSQ-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP CC1(C)CCC[N@H+]1CCNC1=[NH+]CCCN1 ZINC000414360336 351162077 /nfs/dbraw/zinc/16/20/77/351162077.db2.gz NCQJKZLPHVBQGB-UHFFFAOYSA-N 2 1 224.352 0.800 20 0 BCADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC[C@H]1CCCO1 ZINC000607357264 351331258 /nfs/dbraw/zinc/33/12/58/351331258.db2.gz WGOXRASBFUVZAE-FRRDWIJNSA-N 2 1 240.347 0.333 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC[C@H]1CCCO1 ZINC000607357264 351331264 /nfs/dbraw/zinc/33/12/64/351331264.db2.gz WGOXRASBFUVZAE-FRRDWIJNSA-N 2 1 240.347 0.333 20 0 BCADMP COCC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000380187374 351380993 /nfs/dbraw/zinc/38/09/93/351380993.db2.gz PLSPYENFXPVFQE-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000571651586 351541686 /nfs/dbraw/zinc/54/16/86/351541686.db2.gz IWCSREUSSNZYOZ-HTQZYQBOSA-N 2 1 235.278 0.166 20 0 BCADMP CC(C)(CC[NH3+])NC(=O)c1csc(C[NH3+])n1 ZINC000577636201 366028235 /nfs/dbraw/zinc/02/82/35/366028235.db2.gz LVFFQBTZMVRLNO-UHFFFAOYSA-N 2 1 242.348 0.459 20 0 BCADMP Cc1[nH+]ccn1-c1cncc(N(C)[C@@H](C)C[NH3+])n1 ZINC000420197570 192173571 /nfs/dbraw/zinc/17/35/71/192173571.db2.gz XPLIHRVAFWOWRE-VIFPVBQESA-N 2 1 246.318 0.754 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000637802760 351635591 /nfs/dbraw/zinc/63/55/91/351635591.db2.gz UCLDABDGJTTZMC-OUAUKWLOSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637806104 351642792 /nfs/dbraw/zinc/64/27/92/351642792.db2.gz OQPMCQTUWARHKZ-JTQLQIEISA-N 2 1 213.325 0.196 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH2+]CC1 ZINC000637808867 351645080 /nfs/dbraw/zinc/64/50/80/351645080.db2.gz HHXMRNRVHLBYOF-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH2+]CC1 ZINC000637810459 351651176 /nfs/dbraw/zinc/65/11/76/351651176.db2.gz GGSJIGOOWBLNLK-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000637811336 351652377 /nfs/dbraw/zinc/65/23/77/351652377.db2.gz JVYIVXPRJAUNGW-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]C(C)C ZINC000637830021 351679199 /nfs/dbraw/zinc/67/91/99/351679199.db2.gz UFUBPUBCQXGPOT-UHFFFAOYSA-N 2 1 238.335 0.696 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC(C)(C)C[NH3+])CC[N@H+]1C ZINC000637830980 351683815 /nfs/dbraw/zinc/68/38/15/351683815.db2.gz LPVJBASJYHBYSD-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834625 351688652 /nfs/dbraw/zinc/68/86/52/351688652.db2.gz YQJZDYCZCCWGNP-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000637839237 351689507 /nfs/dbraw/zinc/68/95/07/351689507.db2.gz AYVOGAOQMYMPEE-SECBINFHSA-N 2 1 222.292 0.012 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH3+])CCCC1 ZINC000637838967 351689823 /nfs/dbraw/zinc/68/98/23/351689823.db2.gz FGSFVXGKQURCDR-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000637837300 351691437 /nfs/dbraw/zinc/69/14/37/351691437.db2.gz CYNMAIOTCHDECJ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000637840462 351695636 /nfs/dbraw/zinc/69/56/36/351695636.db2.gz JCBZRXBRAYCVTP-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000637841111 351696866 /nfs/dbraw/zinc/69/68/66/351696866.db2.gz SMDYAYCUAFGBSO-NXEZZACHSA-N 2 1 236.319 0.400 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)CC[N@H+]1C ZINC000637850110 351707306 /nfs/dbraw/zinc/70/73/06/351707306.db2.gz STLCPRIAWNJFGN-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637842355 351698868 /nfs/dbraw/zinc/69/88/68/351698868.db2.gz QPHMLZULCGAKQZ-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637844439 351699891 /nfs/dbraw/zinc/69/98/91/351699891.db2.gz NXGFWGHXMJLAAX-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637847749 351703825 /nfs/dbraw/zinc/70/38/25/351703825.db2.gz CLAKEUVVXSGXPF-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]CC1(C)C ZINC000637857781 351718517 /nfs/dbraw/zinc/71/85/17/351718517.db2.gz TWJZPOLLIGBEOO-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637851651 351710500 /nfs/dbraw/zinc/71/05/00/351710500.db2.gz JXCSNWHXMWBJJS-AAEUAGOBSA-N 2 1 241.379 0.818 20 0 BCADMP CN(CCC[NH3+])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637854242 351713024 /nfs/dbraw/zinc/71/30/24/351713024.db2.gz FSFWLBVFYNPGKM-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000626986978 363088853 /nfs/dbraw/zinc/08/88/53/363088853.db2.gz SVMCTMARFMMRSZ-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000626986980 363089161 /nfs/dbraw/zinc/08/91/61/363089161.db2.gz SVMCTMARFMMRSZ-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638076331 351949037 /nfs/dbraw/zinc/94/90/37/351949037.db2.gz KKWDNYZVQARALJ-GHMZBOCLSA-N 2 1 223.320 0.244 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071700 351943773 /nfs/dbraw/zinc/94/37/73/351943773.db2.gz HTVHHMDSRPWUSN-ONGXEEELSA-N 2 1 223.320 0.102 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000638072293 351944519 /nfs/dbraw/zinc/94/45/19/351944519.db2.gz MGRJNUMINKYLPK-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638144760 352007644 /nfs/dbraw/zinc/00/76/44/352007644.db2.gz FKPGQVULQWAJOZ-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000638080105 351953360 /nfs/dbraw/zinc/95/33/60/351953360.db2.gz YOXJDFZSBDUCSW-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000638080147 351953640 /nfs/dbraw/zinc/95/36/40/351953640.db2.gz ZLUNTLUXFAXJNZ-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638081999 351955562 /nfs/dbraw/zinc/95/55/62/351955562.db2.gz RPUDUBBZLCHYJQ-GHMZBOCLSA-N 2 1 235.331 0.387 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000638082289 351956284 /nfs/dbraw/zinc/95/62/84/351956284.db2.gz GULOYBINILUYDY-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000638085119 351961453 /nfs/dbraw/zinc/96/14/53/351961453.db2.gz JNRPILGNRRUERK-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638096587 351977271 /nfs/dbraw/zinc/97/72/71/351977271.db2.gz JZBATHXDWVILRC-NSHDSACASA-N 2 1 237.347 0.634 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638100250 351980379 /nfs/dbraw/zinc/98/03/79/351980379.db2.gz LNQBVLCPCHTVNF-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638102214 351982281 /nfs/dbraw/zinc/98/22/81/351982281.db2.gz UCQOPOZCGBAZCS-AAEUAGOBSA-N 2 1 249.358 0.729 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000638121797 351995629 /nfs/dbraw/zinc/99/56/29/351995629.db2.gz HJVZTXXRUORSFD-IJLUTSLNSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000638123442 351996558 /nfs/dbraw/zinc/99/65/58/351996558.db2.gz OFXGRIOYBZKCSS-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000638136335 352002914 /nfs/dbraw/zinc/00/29/14/352002914.db2.gz YDEJZEDFWCVKEW-HBNTYKKESA-N 2 1 239.363 0.726 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000638136334 352002934 /nfs/dbraw/zinc/00/29/34/352002934.db2.gz YDEJZEDFWCVKEW-GMTAPVOTSA-N 2 1 239.363 0.726 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138680 352004037 /nfs/dbraw/zinc/00/40/37/352004037.db2.gz JFGJWYJBIHHYLW-GFCCVEGCSA-N 2 1 248.330 0.544 20 0 BCADMP O=c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000638186391 352050428 /nfs/dbraw/zinc/05/04/28/352050428.db2.gz SMNREPUSBYVDQI-GHMZBOCLSA-N 2 1 219.288 0.438 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195478 352057974 /nfs/dbraw/zinc/05/79/74/352057974.db2.gz MUUPQHCQRWPBBU-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638197613 352059390 /nfs/dbraw/zinc/05/93/90/352059390.db2.gz BISJYMOXBHQMEL-NEPJUHHUSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638197615 352059572 /nfs/dbraw/zinc/05/95/72/352059572.db2.gz BISJYMOXBHQMEL-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638198665 352061499 /nfs/dbraw/zinc/06/14/99/352061499.db2.gz KZAFZQXTMCQSIA-VXGBXAGGSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638198152 352061665 /nfs/dbraw/zinc/06/16/65/352061665.db2.gz AATSWHMQCDCGHO-WDEREUQCSA-N 2 1 236.319 0.578 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638202891 352064045 /nfs/dbraw/zinc/06/40/45/352064045.db2.gz BRTNAXGUJXZYSD-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000638204672 352066660 /nfs/dbraw/zinc/06/66/60/352066660.db2.gz AEWLDSASDMCZOS-NSHDSACASA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638208905 352071683 /nfs/dbraw/zinc/07/16/83/352071683.db2.gz WORPMDITRMANRA-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000638209738 352072268 /nfs/dbraw/zinc/07/22/68/352072268.db2.gz FLJUBMATIJXXNH-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000638154614 352015238 /nfs/dbraw/zinc/01/52/38/352015238.db2.gz PQKVXXPKVPWNPK-JTQLQIEISA-N 2 1 222.292 0.045 20 0 BCADMP C[N@@H+](CC(=O)NCC1C[NH2+]C1)CC(C)(C)C ZINC000638153310 352017698 /nfs/dbraw/zinc/01/76/98/352017698.db2.gz NIKXFKQXLZUHQK-UHFFFAOYSA-N 2 1 227.352 0.300 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638168607 352036158 /nfs/dbraw/zinc/03/61/58/352036158.db2.gz NANGZJGFZZFUFP-ZDUSSCGKSA-N 2 1 248.330 0.404 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC000638211788 352074274 /nfs/dbraw/zinc/07/42/74/352074274.db2.gz BJVLAXRAOLHGFX-SECBINFHSA-N 2 1 224.308 0.306 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000638175672 352041578 /nfs/dbraw/zinc/04/15/78/352041578.db2.gz JGBZSCDVFNYKPX-QMMMGPOBSA-N 2 1 237.294 0.460 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCC1C[NH2+]C1 ZINC000638303644 352133110 /nfs/dbraw/zinc/13/31/10/352133110.db2.gz HCRXSCBSYLWOMW-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000638211029 352077053 /nfs/dbraw/zinc/07/70/53/352077053.db2.gz LSMYEIFGQWSCPG-GFCCVEGCSA-N 2 1 249.358 0.624 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638218608 352078410 /nfs/dbraw/zinc/07/84/10/352078410.db2.gz DNATUPFCPOTUHP-YPMHNXCESA-N 2 1 239.363 0.526 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638246473 352092760 /nfs/dbraw/zinc/09/27/60/352092760.db2.gz JJXXUJLIRINKGT-RYUDHWBXSA-N 2 1 248.330 0.402 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638253516 352096369 /nfs/dbraw/zinc/09/63/69/352096369.db2.gz AEVCVTQSBFHHNA-GUBZILKMSA-N 2 1 213.325 0.323 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH3+])C1 ZINC000638254535 352097691 /nfs/dbraw/zinc/09/76/91/352097691.db2.gz BNBVQUYMZUDVJN-UHFFFAOYSA-N 2 1 222.292 0.140 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638257726 352101226 /nfs/dbraw/zinc/10/12/26/352101226.db2.gz VXGCRAXGBMYKMP-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)Cn1cc[nH+]c1C ZINC000638260092 352102326 /nfs/dbraw/zinc/10/23/26/352102326.db2.gz UWESKTGOMBJJNO-VIFPVBQESA-N 2 1 210.281 0.045 20 0 BCADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1(C[NH3+])CCC1 ZINC000638262890 352104836 /nfs/dbraw/zinc/10/48/36/352104836.db2.gz RKXNHTSNDZZZGR-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C[NH3+])C1CC1 ZINC000638332045 352153850 /nfs/dbraw/zinc/15/38/50/352153850.db2.gz LZXSHYCPVLRKQA-CMPLNLGQSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000037152215 358468316 /nfs/dbraw/zinc/46/83/16/358468316.db2.gz XAUVNGWURQWAFK-UHFFFAOYSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638368718 352178159 /nfs/dbraw/zinc/17/81/59/352178159.db2.gz MJLMINFMSQZBGK-MXWKQRLJSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638370977 352184129 /nfs/dbraw/zinc/18/41/29/352184129.db2.gz OEHBMCBNBWVNBC-HBNTYKKESA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638388664 352195658 /nfs/dbraw/zinc/19/56/58/352195658.db2.gz ZMKGLUXXOSDIJM-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]CC)C1 ZINC000638427591 352235464 /nfs/dbraw/zinc/23/54/64/352235464.db2.gz VGSDCFWXAFUCED-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427222 352235764 /nfs/dbraw/zinc/23/57/64/352235764.db2.gz VFAOPWCUUMJHBZ-RYUDHWBXSA-N 2 1 237.347 0.634 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638433168 352242457 /nfs/dbraw/zinc/24/24/57/352242457.db2.gz QYPUZAGVHQROBH-NXEZZACHSA-N 2 1 213.325 0.052 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000638404001 352210635 /nfs/dbraw/zinc/21/06/35/352210635.db2.gz WZDQUMIKHCCEQG-MRVPVSSYSA-N 2 1 210.281 0.366 20 0 BCADMP CCN(CC[NH3+])C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000627038131 363149909 /nfs/dbraw/zinc/14/99/09/363149909.db2.gz HXGQYNIOBBXWMP-NSHDSACASA-N 2 1 244.383 0.705 20 0 BCADMP CCN(CC[NH3+])C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000638517801 352349142 /nfs/dbraw/zinc/34/91/42/352349142.db2.gz CQTTWQWMLDIPHN-PHIMTYICSA-N 2 1 227.352 0.666 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638528751 352361803 /nfs/dbraw/zinc/36/18/03/352361803.db2.gz RBJLPBKSBUXXMJ-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000638570800 352398195 /nfs/dbraw/zinc/39/81/95/352398195.db2.gz ABWBEZNCTHWZMY-QJPTWQEYSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738740 191208514 /nfs/dbraw/zinc/20/85/14/191208514.db2.gz UUELLYVRGMYQEH-CYBMUJFWSA-N 2 1 245.411 0.573 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@H+]1C ZINC000638650802 352492825 /nfs/dbraw/zinc/49/28/25/352492825.db2.gz MTLQENQJZNUQAP-WHOHXGKFSA-N 2 1 239.363 0.583 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638727588 352586110 /nfs/dbraw/zinc/58/61/10/352586110.db2.gz KCBGKNDBRBCNHM-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000638727587 352586164 /nfs/dbraw/zinc/58/61/64/352586164.db2.gz KCBGKNDBRBCNHM-GRYCIOLGSA-N 2 1 241.379 0.816 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638730072 352592404 /nfs/dbraw/zinc/59/24/04/352592404.db2.gz RELDJENSIIENGC-LOWVWBTDSA-N 2 1 237.347 0.196 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000385384370 352565060 /nfs/dbraw/zinc/56/50/60/352565060.db2.gz PLNFRGYKKWABRX-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000385384370 352565062 /nfs/dbraw/zinc/56/50/62/352565062.db2.gz PLNFRGYKKWABRX-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000300536007 352565565 /nfs/dbraw/zinc/56/55/65/352565565.db2.gz HZPKOHUSEQDRML-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000300536007 352565568 /nfs/dbraw/zinc/56/55/68/352565568.db2.gz HZPKOHUSEQDRML-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638727251 352585475 /nfs/dbraw/zinc/58/54/75/352585475.db2.gz DXIYGLWZSOITDZ-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531326 352654470 /nfs/dbraw/zinc/65/44/70/352654470.db2.gz MTQJOCFBGTUAOI-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531326 352654473 /nfs/dbraw/zinc/65/44/73/352654473.db2.gz MTQJOCFBGTUAOI-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751162 352655459 /nfs/dbraw/zinc/65/54/59/352655459.db2.gz LJSJUQXBVXOQOQ-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+](CC(=O)NC1CC1)CC1CC[NH2+]CC1 ZINC000043497724 352637140 /nfs/dbraw/zinc/63/71/40/352637140.db2.gz BOCXZFZVJZDUNX-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000638775378 352722279 /nfs/dbraw/zinc/72/22/79/352722279.db2.gz DSSSIRVNJGYAFY-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000341780233 352726743 /nfs/dbraw/zinc/72/67/43/352726743.db2.gz NSMDOSHWWBKQDT-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000341780233 352726746 /nfs/dbraw/zinc/72/67/46/352726746.db2.gz NSMDOSHWWBKQDT-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000341780233 352726750 /nfs/dbraw/zinc/72/67/50/352726750.db2.gz NSMDOSHWWBKQDT-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000341780233 352726752 /nfs/dbraw/zinc/72/67/52/352726752.db2.gz NSMDOSHWWBKQDT-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000334221154 352824399 /nfs/dbraw/zinc/82/43/99/352824399.db2.gz WKJNROUNVWTACV-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000334221154 352824403 /nfs/dbraw/zinc/82/44/03/352824403.db2.gz WKJNROUNVWTACV-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000334221154 352824407 /nfs/dbraw/zinc/82/44/07/352824407.db2.gz WKJNROUNVWTACV-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP CC[C@](C)([NH2+]CCCn1cc[nH+]c1C)C(N)=O ZINC000342866347 352882854 /nfs/dbraw/zinc/88/28/54/352882854.db2.gz ZUTOHGKOAKNTBH-LBPRGKRZSA-N 2 1 238.335 0.825 20 0 BCADMP C[C@@H]([NH2+]CC(F)(F)CO)C1CC[NH+](C)CC1 ZINC000231792627 538107502 /nfs/dbraw/zinc/10/75/02/538107502.db2.gz IDMXZOFSHTUTGI-SECBINFHSA-N 2 1 236.306 0.934 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000261973493 535196963 /nfs/dbraw/zinc/19/69/63/535196963.db2.gz QMVVITSSWJZDAS-GFCCVEGCSA-N 2 1 242.363 0.994 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638934487 353098207 /nfs/dbraw/zinc/09/82/07/353098207.db2.gz IKKFLOAIISIXFJ-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000638929102 353098731 /nfs/dbraw/zinc/09/87/31/353098731.db2.gz NQPYCKCNBDYROQ-GWOFURMSSA-N 2 1 225.336 0.275 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000358284173 188066934 /nfs/dbraw/zinc/06/69/34/188066934.db2.gz FFPKTICXIVOAAY-RTXFEEFZSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000358284173 188066935 /nfs/dbraw/zinc/06/69/35/188066935.db2.gz FFPKTICXIVOAAY-RTXFEEFZSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359304428 188068600 /nfs/dbraw/zinc/06/86/00/188068600.db2.gz KMGRPDQZIQRSRJ-UTUOFQBUSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359304428 188068602 /nfs/dbraw/zinc/06/86/02/188068602.db2.gz KMGRPDQZIQRSRJ-UTUOFQBUSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)[N@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497710 188151640 /nfs/dbraw/zinc/15/16/40/188151640.db2.gz SGCPMBBSDKSATK-UHFFFAOYSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037826981 188153180 /nfs/dbraw/zinc/15/31/80/188153180.db2.gz MNUPSVYTNSKGSG-NSHDSACASA-N 2 1 225.336 0.276 20 0 BCADMP CCOC[C@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000308891021 188164853 /nfs/dbraw/zinc/16/48/53/188164853.db2.gz WTIVKCPGYFCCJH-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000310353753 188171686 /nfs/dbraw/zinc/17/16/86/188171686.db2.gz QEHAVJJDKOLIPP-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310353753 188171687 /nfs/dbraw/zinc/17/16/87/188171687.db2.gz QEHAVJJDKOLIPP-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310353753 188171689 /nfs/dbraw/zinc/17/16/89/188171689.db2.gz QEHAVJJDKOLIPP-WCQYABFASA-N 2 1 241.379 0.077 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000236746135 188148411 /nfs/dbraw/zinc/14/84/11/188148411.db2.gz PPKJRIVXDSGXNJ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364648195 188175984 /nfs/dbraw/zinc/17/59/84/188175984.db2.gz REOQVJLIUQHQRX-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343254417 353251728 /nfs/dbraw/zinc/25/17/28/353251728.db2.gz XNFKWQWHYUZSIN-LOWDOPEQSA-N 2 1 242.363 0.504 20 0 BCADMP CC(C)[N@H+](C[C@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336684153 188182399 /nfs/dbraw/zinc/18/23/99/188182399.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C[C@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336684153 188182401 /nfs/dbraw/zinc/18/24/01/188182401.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336684153 188182402 /nfs/dbraw/zinc/18/24/02/188182402.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C[C@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336684153 188182404 /nfs/dbraw/zinc/18/24/04/188182404.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133423 188222237 /nfs/dbraw/zinc/22/22/37/188222237.db2.gz MYCWSMXIWAGCOP-NSHDSACASA-N 2 1 229.368 0.816 20 0 BCADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250396507 353269605 /nfs/dbraw/zinc/26/96/05/353269605.db2.gz YQLQXKUOZMYIID-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000093232480 188223141 /nfs/dbraw/zinc/22/31/41/188223141.db2.gz UNNKBHVETOCDHS-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000093232480 188223143 /nfs/dbraw/zinc/22/31/43/188223143.db2.gz UNNKBHVETOCDHS-ZDUSSCGKSA-N 2 1 241.379 0.522 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000129052393 353308300 /nfs/dbraw/zinc/30/83/00/353308300.db2.gz SEXPPEDMBQKPQI-JTQLQIEISA-N 2 1 225.336 0.006 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639040389 353316190 /nfs/dbraw/zinc/31/61/90/353316190.db2.gz CCCRWSHGWAYOHK-IJLUTSLNSA-N 2 1 239.363 0.857 20 0 BCADMP CO[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639049035 353340094 /nfs/dbraw/zinc/34/00/94/353340094.db2.gz GWPQXHPDOJNHJN-NWDGAFQWSA-N 2 1 228.336 0.068 20 0 BCADMP CO[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639049035 353340096 /nfs/dbraw/zinc/34/00/96/353340096.db2.gz GWPQXHPDOJNHJN-NWDGAFQWSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639048822 353343481 /nfs/dbraw/zinc/34/34/81/353343481.db2.gz AFNPCWJVCDVLEZ-NEPJUHHUSA-N 2 1 228.336 0.212 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639048822 353343485 /nfs/dbraw/zinc/34/34/85/353343485.db2.gz AFNPCWJVCDVLEZ-NEPJUHHUSA-N 2 1 228.336 0.212 20 0 BCADMP CCC[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049613 353344349 /nfs/dbraw/zinc/34/43/49/353344349.db2.gz WCDDDVFOMUHJMF-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049613 353344351 /nfs/dbraw/zinc/34/43/51/353344351.db2.gz WCDDDVFOMUHJMF-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP Cc1nccn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283536 538116434 /nfs/dbraw/zinc/11/64/34/538116434.db2.gz OMZCAHSLJCBIRJ-TXEJJXNPSA-N 2 1 220.320 0.343 20 0 BCADMP CCC[N@@H+](CC)CCNC1=[NH+]CCCN1 ZINC000081781401 353416930 /nfs/dbraw/zinc/41/69/30/353416930.db2.gz BVEMQOGMAGKLSO-UHFFFAOYSA-N 2 1 212.341 0.657 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCOCC1 ZINC000167431907 133970367 /nfs/dbraw/zinc/97/03/67/133970367.db2.gz AJVURMACIHYNPP-JQWIXIFHSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000193298964 353589100 /nfs/dbraw/zinc/58/91/00/353589100.db2.gz MOWZMTUENHNZKD-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](CCNC(=O)CC[C@@H](C)[NH3+])C1CC1 ZINC000193309269 353590057 /nfs/dbraw/zinc/59/00/57/353590057.db2.gz NEFAUEYDEDOURP-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000577866483 366091417 /nfs/dbraw/zinc/09/14/17/366091417.db2.gz RDZHNTOOVZWRKO-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000231720259 353647040 /nfs/dbraw/zinc/64/70/40/353647040.db2.gz PFCOADCVQYWIGC-SNVBAGLBSA-N 2 1 248.330 0.316 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165747502 353611041 /nfs/dbraw/zinc/61/10/41/353611041.db2.gz ZSVCAHBWXVUQEP-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627096891 363257005 /nfs/dbraw/zinc/25/70/05/363257005.db2.gz FOCFDDOHPOSSAH-UTLUCORTSA-N 2 1 228.340 0.116 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343488566 353908242 /nfs/dbraw/zinc/90/82/42/353908242.db2.gz YQNFBNKGAFLXSU-SECBINFHSA-N 2 1 249.305 0.347 20 0 BCADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343606392 353931450 /nfs/dbraw/zinc/93/14/50/353931450.db2.gz UIECGERQSNRXLS-HLTSFMKQSA-N 2 1 247.289 0.179 20 0 BCADMP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343606401 353931458 /nfs/dbraw/zinc/93/14/58/353931458.db2.gz UIECGERQSNRXLS-VGMNWLOBSA-N 2 1 247.289 0.179 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627116630 363283418 /nfs/dbraw/zinc/28/34/18/363283418.db2.gz KNPWWHVVBOWQIH-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP CO[C@@H](C[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000639167741 354039709 /nfs/dbraw/zinc/03/97/09/354039709.db2.gz KQQZVOFRDRXVPE-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C1 ZINC000231075069 363337325 /nfs/dbraw/zinc/33/73/25/363337325.db2.gz WIZNTNLWQFNIDB-VHSXEESVSA-N 2 1 200.326 0.735 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC ZINC000344629060 354330087 /nfs/dbraw/zinc/33/00/87/354330087.db2.gz PIQXJAUGPFNFON-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750951 202019262 /nfs/dbraw/zinc/01/92/62/202019262.db2.gz KIDIEYJJHBGPEF-WISYIIOYSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334722814 354523066 /nfs/dbraw/zinc/52/30/66/354523066.db2.gz KNSLPGGQHMDNRG-NSHDSACASA-N 2 1 237.347 0.245 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000383636698 354605595 /nfs/dbraw/zinc/60/55/95/354605595.db2.gz YJTCOCCZPDYJLH-UPJWGTAASA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000383636698 354605599 /nfs/dbraw/zinc/60/55/99/354605599.db2.gz YJTCOCCZPDYJLH-UPJWGTAASA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000345327948 354611832 /nfs/dbraw/zinc/61/18/32/354611832.db2.gz UMBRKEFUIXVEPF-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345327948 354611833 /nfs/dbraw/zinc/61/18/33/354611833.db2.gz UMBRKEFUIXVEPF-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345327948 354611834 /nfs/dbraw/zinc/61/18/34/354611834.db2.gz UMBRKEFUIXVEPF-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP [NH3+][C@H]1CCCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335109626 354695571 /nfs/dbraw/zinc/69/55/71/354695571.db2.gz BJQBIFFLQXINNJ-DTWKUNHWSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000335110106 354696154 /nfs/dbraw/zinc/69/61/54/354696154.db2.gz DLYQDAVREVMRBW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000335110106 354696157 /nfs/dbraw/zinc/69/61/57/354696157.db2.gz DLYQDAVREVMRBW-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000335110105 354696302 /nfs/dbraw/zinc/69/63/02/354696302.db2.gz DLYQDAVREVMRBW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000335110105 354696304 /nfs/dbraw/zinc/69/63/04/354696304.db2.gz DLYQDAVREVMRBW-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]1[C@H](NC(=O)NCC[NH+](C)C)CCC[N@H+]1C ZINC000345732457 354746620 /nfs/dbraw/zinc/74/66/20/354746620.db2.gz AYUVPQWPJZYDKX-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000627169269 363415539 /nfs/dbraw/zinc/41/55/39/363415539.db2.gz GZGFJGADMNMRMJ-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000166055953 354921630 /nfs/dbraw/zinc/92/16/30/354921630.db2.gz NQGWWFAHDKQRTL-WRWGMCAJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000166067622 355013128 /nfs/dbraw/zinc/01/31/28/355013128.db2.gz BQHCATAPDPDXBB-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000335220605 355061045 /nfs/dbraw/zinc/06/10/45/355061045.db2.gz OVGACNVIUNBGTK-SECBINFHSA-N 2 1 219.288 0.470 20 0 BCADMP C[N@@H+](CCO)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000346831413 355129454 /nfs/dbraw/zinc/12/94/54/355129454.db2.gz LCFCPCFPAYWTOS-UHFFFAOYSA-N 2 1 229.368 0.112 20 0 BCADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346835826 355131455 /nfs/dbraw/zinc/13/14/55/355131455.db2.gz OENFHLQAOLKLIA-VXGBXAGGSA-N 2 1 240.347 0.871 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989446 355189385 /nfs/dbraw/zinc/18/93/85/355189385.db2.gz RLALOXKMEVKCAC-CHWSQXEVSA-N 3 1 225.380 0.870 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989446 355189386 /nfs/dbraw/zinc/18/93/86/355189386.db2.gz RLALOXKMEVKCAC-CHWSQXEVSA-N 3 1 225.380 0.870 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989451 355189501 /nfs/dbraw/zinc/18/95/01/355189501.db2.gz RLALOXKMEVKCAC-STQMWFEESA-N 3 1 225.380 0.870 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989451 355189502 /nfs/dbraw/zinc/18/95/02/355189502.db2.gz RLALOXKMEVKCAC-STQMWFEESA-N 3 1 225.380 0.870 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000346991133 355190827 /nfs/dbraw/zinc/19/08/27/355190827.db2.gz SYJQZKLCAGMTPF-UHFFFAOYSA-N 2 1 242.363 0.853 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000346991133 355190831 /nfs/dbraw/zinc/19/08/31/355190831.db2.gz SYJQZKLCAGMTPF-UHFFFAOYSA-N 2 1 242.363 0.853 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000347000573 355197963 /nfs/dbraw/zinc/19/79/63/355197963.db2.gz ZOHDKCISCLITCG-CYBMUJFWSA-N 3 1 225.380 0.870 20 0 BCADMP CN(C)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000347000573 355197964 /nfs/dbraw/zinc/19/79/64/355197964.db2.gz ZOHDKCISCLITCG-CYBMUJFWSA-N 2 1 225.380 0.870 20 0 BCADMP CN(C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000347000573 355197967 /nfs/dbraw/zinc/19/79/67/355197967.db2.gz ZOHDKCISCLITCG-CYBMUJFWSA-N 2 1 225.380 0.870 20 0 BCADMP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000347012152 355204291 /nfs/dbraw/zinc/20/42/91/355204291.db2.gz UUOXRSNPRGCFRX-UTUOFQBUSA-N 2 1 237.347 0.339 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516312 355233788 /nfs/dbraw/zinc/23/37/88/355233788.db2.gz WBPRUNYRVJXDHQ-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516312 355233789 /nfs/dbraw/zinc/23/37/89/355233789.db2.gz WBPRUNYRVJXDHQ-NSHDSACASA-N 2 1 228.336 0.823 20 0 BCADMP COCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512949 355249041 /nfs/dbraw/zinc/24/90/41/355249041.db2.gz SSUWUFVAHQXIMD-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP CCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515882 355253018 /nfs/dbraw/zinc/25/30/18/355253018.db2.gz NDISXYAXDOMUDH-LLVKDONJSA-N 2 1 200.326 0.906 20 0 BCADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623748933 355297457 /nfs/dbraw/zinc/29/74/57/355297457.db2.gz OJWXEDZOSYKUIN-LPWJVIDDSA-N 2 1 224.348 0.974 20 0 BCADMP NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000071536335 181190290 /nfs/dbraw/zinc/19/02/90/181190290.db2.gz KENOWLDMFJBBHY-UHFFFAOYSA-N 2 1 232.331 0.918 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCO)[C@H](C)C1 ZINC000166458118 355502956 /nfs/dbraw/zinc/50/29/56/355502956.db2.gz ZWTYIDXJACTUMZ-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414748499 191559820 /nfs/dbraw/zinc/55/98/20/191559820.db2.gz URCHUXKULFNJKK-ZDUSSCGKSA-N 3 1 243.395 0.768 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000349961595 355540818 /nfs/dbraw/zinc/54/08/18/355540818.db2.gz MSQAIHWARFVKMD-GARJFASQSA-N 2 1 227.352 0.713 20 0 BCADMP CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000335852305 355596556 /nfs/dbraw/zinc/59/65/56/355596556.db2.gz VCJWZWHCAFHDPZ-JQWIXIFHSA-N 2 1 237.347 0.291 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984342 355570058 /nfs/dbraw/zinc/57/00/58/355570058.db2.gz DCOUWQNABKRDJC-WDEREUQCSA-N 2 1 227.352 0.714 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000166596315 355709382 /nfs/dbraw/zinc/70/93/82/355709382.db2.gz RTXGJCXKPJZTNO-RYUDHWBXSA-N 2 1 232.368 0.968 20 0 BCADMP CC[N@H+]1CC[C@@H](NCc2ccc(C(N)=O)cc2)C1 ZINC000389189026 355805303 /nfs/dbraw/zinc/80/53/03/355805303.db2.gz UEUXOIJBIITXLZ-CYBMUJFWSA-N 2 1 247.342 0.969 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028961 134057898 /nfs/dbraw/zinc/05/78/98/134057898.db2.gz BKVYPCPCHMLVPT-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028961 134057899 /nfs/dbraw/zinc/05/78/99/134057899.db2.gz BKVYPCPCHMLVPT-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP Cc1[nH+]cc(CN(C)[C@]2(CO)CCOC2)n1C ZINC000628368044 355862370 /nfs/dbraw/zinc/86/23/70/355862370.db2.gz JEHBREINUIGEAW-LBPRGKRZSA-N 2 1 239.319 0.312 20 0 BCADMP NC(=O)CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042438699 181218763 /nfs/dbraw/zinc/21/87/63/181218763.db2.gz MTUQXLZVXGCYOL-UHFFFAOYSA-N 2 1 239.363 0.716 20 0 BCADMP C[NH+](C)C1(C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000613268110 355940688 /nfs/dbraw/zinc/94/06/88/355940688.db2.gz ZEASSMWFHHRBER-UHFFFAOYSA-N 2 1 237.347 0.459 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000520421914 355920775 /nfs/dbraw/zinc/92/07/75/355920775.db2.gz OLZJNMCJSYPWPM-DTWKUNHWSA-N 2 1 249.305 0.604 20 0 BCADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336040981 134062159 /nfs/dbraw/zinc/06/21/59/134062159.db2.gz OTVGCBVTDCOQQN-CHWSQXEVSA-N 2 1 225.380 0.964 20 0 BCADMP C[C@@H]1OCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309065388 355989837 /nfs/dbraw/zinc/98/98/37/355989837.db2.gz YZSLUHBCCMNKLX-ONGXEEELSA-N 2 1 209.293 0.730 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000167197215 355968385 /nfs/dbraw/zinc/96/83/85/355968385.db2.gz IRUVMRXNIVMREM-WDEREUQCSA-N 2 1 229.368 0.688 20 0 BCADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167199603 355969893 /nfs/dbraw/zinc/96/98/93/355969893.db2.gz PYGRNUMRGDNOHG-UWVGGRQHSA-N 2 1 245.392 0.495 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167199603 355969897 /nfs/dbraw/zinc/96/98/97/355969897.db2.gz PYGRNUMRGDNOHG-UWVGGRQHSA-N 2 1 245.392 0.495 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335911677 356125726 /nfs/dbraw/zinc/12/57/26/356125726.db2.gz ZRNHNDKFZBFRSN-OLZOCXBDSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335911677 356125730 /nfs/dbraw/zinc/12/57/30/356125730.db2.gz ZRNHNDKFZBFRSN-OLZOCXBDSA-N 2 1 223.364 0.670 20 0 BCADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC000351807790 356087955 /nfs/dbraw/zinc/08/79/55/356087955.db2.gz HYFINKDLXNBLTO-IJLUTSLNSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860644 356097938 /nfs/dbraw/zinc/09/79/38/356097938.db2.gz HBBCDBIODCHELA-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000351860644 356097943 /nfs/dbraw/zinc/09/79/43/356097943.db2.gz HBBCDBIODCHELA-PWSUYJOCSA-N 2 1 239.363 0.524 20 0 BCADMP Cc1cnc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000351860170 356098271 /nfs/dbraw/zinc/09/82/71/356098271.db2.gz HRNFBAJHOUNGSY-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000351860170 356098274 /nfs/dbraw/zinc/09/82/74/356098274.db2.gz HRNFBAJHOUNGSY-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000351861582 356099381 /nfs/dbraw/zinc/09/93/81/356099381.db2.gz KSPBIAGIJBQJNN-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867615 356102146 /nfs/dbraw/zinc/10/21/46/356102146.db2.gz YXNVNQFCPHHGLM-SDDRHHMPSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000336091965 134078958 /nfs/dbraw/zinc/07/89/58/134078958.db2.gz VFEKGVYSJWNQKJ-WCBMZHEXSA-N 2 1 243.376 0.235 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCC[NH3+] ZINC000418306684 192021156 /nfs/dbraw/zinc/02/11/56/192021156.db2.gz BQDLDJUBIPACOA-LLVKDONJSA-N 2 1 242.367 0.318 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH3+] ZINC000418292957 192017474 /nfs/dbraw/zinc/01/74/74/192017474.db2.gz DJZCDKFLHBXPDI-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293487 192018287 /nfs/dbraw/zinc/01/82/87/192018287.db2.gz FPKWYDIAPXHGQD-JTQLQIEISA-N 2 1 228.340 0.069 20 0 BCADMP Cn1cncc1CC[N@H+]1CCCOCC1 ZINC000639465457 356251891 /nfs/dbraw/zinc/25/18/91/356251891.db2.gz KSTOHXGJBSRENM-UHFFFAOYSA-N 2 1 209.293 0.685 20 0 BCADMP CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)[C@@H]1CCC[NH2+]1 ZINC000333294678 356271825 /nfs/dbraw/zinc/27/18/25/356271825.db2.gz PDBYBVZGNDZECY-TUAOUCFPSA-N 2 1 249.362 0.713 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)C[NH3+] ZINC000420251248 192187675 /nfs/dbraw/zinc/18/76/75/192187675.db2.gz VYJGRQHNBJBCCB-QMMMGPOBSA-N 2 1 223.276 0.439 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420257073 192188780 /nfs/dbraw/zinc/18/87/80/192188780.db2.gz DJBOYVNTNPFLCO-DJLDLDEBSA-N 2 1 239.323 0.417 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420292653 192203815 /nfs/dbraw/zinc/20/38/15/192203815.db2.gz PTVGENXVUHWYOO-VXGBXAGGSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420292653 192203817 /nfs/dbraw/zinc/20/38/17/192203817.db2.gz PTVGENXVUHWYOO-VXGBXAGGSA-N 2 1 211.353 0.670 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420297963 192205321 /nfs/dbraw/zinc/20/53/21/192205321.db2.gz ZGXVKPYQMJDBKA-ZJUUUORDSA-N 2 1 214.309 0.609 20 0 BCADMP CCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336124885 134092498 /nfs/dbraw/zinc/09/24/98/134092498.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420319077 192195583 /nfs/dbraw/zinc/19/55/83/192195583.db2.gz OUWBHBDHOYRENH-MNOVXSKESA-N 2 1 228.336 0.997 20 0 BCADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000617752644 356311457 /nfs/dbraw/zinc/31/14/57/356311457.db2.gz RGLIXDKYQPWZAH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000617752641 356311757 /nfs/dbraw/zinc/31/17/57/356311757.db2.gz RGLIXDKYQPWZAH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420294134 192202704 /nfs/dbraw/zinc/20/27/04/192202704.db2.gz SLIWOBNOTXABAX-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+][C@H](C)[C@H]2C)CCO1 ZINC000420315509 192213260 /nfs/dbraw/zinc/21/32/60/192213260.db2.gz RSOZSQAQUGFIBT-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+][C@H](C)[C@H]2C)CCO1 ZINC000420315509 192213261 /nfs/dbraw/zinc/21/32/61/192213261.db2.gz RSOZSQAQUGFIBT-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000420332795 192214176 /nfs/dbraw/zinc/21/41/76/192214176.db2.gz BZAXWAKKLXTNRQ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000420332795 192214178 /nfs/dbraw/zinc/21/41/78/192214178.db2.gz BZAXWAKKLXTNRQ-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493588 181268306 /nfs/dbraw/zinc/26/83/06/181268306.db2.gz QZAKYZBDSVVXHF-MNOVXSKESA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493588 181268307 /nfs/dbraw/zinc/26/83/07/181268307.db2.gz QZAKYZBDSVVXHF-MNOVXSKESA-N 2 1 225.336 0.326 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332537 192215075 /nfs/dbraw/zinc/21/50/75/192215075.db2.gz RUNTVKIOROCUBD-QWRGUYRKSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000420340897 192216056 /nfs/dbraw/zinc/21/60/56/192216056.db2.gz SSTUPYFCWOTGNO-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000420340897 192216059 /nfs/dbraw/zinc/21/60/59/192216059.db2.gz SSTUPYFCWOTGNO-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000420340903 192216793 /nfs/dbraw/zinc/21/67/93/192216793.db2.gz SSTUPYFCWOTGNO-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000420340903 192216795 /nfs/dbraw/zinc/21/67/95/192216795.db2.gz SSTUPYFCWOTGNO-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353388 192216985 /nfs/dbraw/zinc/21/69/85/192216985.db2.gz BUZZADHEZVKPKP-NEPJUHHUSA-N 2 1 243.395 0.670 20 0 BCADMP C[NH2+]CCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000420353738 192217555 /nfs/dbraw/zinc/21/75/55/192217555.db2.gz CDHSQIUKTJGPMA-UHFFFAOYSA-N 2 1 248.374 0.809 20 0 BCADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302237 192207675 /nfs/dbraw/zinc/20/76/75/192207675.db2.gz BMZPOMJIPWDSGC-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@H]1CC[NH2+]C1 ZINC000420302237 192207678 /nfs/dbraw/zinc/20/76/78/192207678.db2.gz BMZPOMJIPWDSGC-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CCCCCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420307463 192208187 /nfs/dbraw/zinc/20/81/87/192208187.db2.gz MIBMFHAPHUQETE-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420307463 192208189 /nfs/dbraw/zinc/20/81/89/192208189.db2.gz MIBMFHAPHUQETE-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP COC(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307866 192208551 /nfs/dbraw/zinc/20/85/51/192208551.db2.gz NBBIXORXRFXNHM-UHFFFAOYSA-N 2 1 226.320 0.625 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304249 192209525 /nfs/dbraw/zinc/20/95/25/192209525.db2.gz LIJTVDVYPALLCZ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420312973 192210241 /nfs/dbraw/zinc/21/02/41/192210241.db2.gz SUDWXZKDYQZCQX-TUAOUCFPSA-N 2 1 239.363 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312972 192211378 /nfs/dbraw/zinc/21/13/78/192211378.db2.gz SUDWXZKDYQZCQX-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1NCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000420313187 192211694 /nfs/dbraw/zinc/21/16/94/192211694.db2.gz PIKDTOJHKRQKTK-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CCN(CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000420313187 192211696 /nfs/dbraw/zinc/21/16/96/192211696.db2.gz PIKDTOJHKRQKTK-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367772 192225910 /nfs/dbraw/zinc/22/59/10/192225910.db2.gz WCFUGAKUJXIOHR-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP COC(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367612 192225952 /nfs/dbraw/zinc/22/59/52/192225952.db2.gz MXCSGUPECILSOI-CKYFFXLPSA-N 2 1 228.336 0.916 20 0 BCADMP CC[C@H](C)[N@H+](CCOCC[NH3+])CC(=O)OC ZINC000420366618 192226304 /nfs/dbraw/zinc/22/63/04/192226304.db2.gz GGDNRSAHFHDKRX-JTQLQIEISA-N 2 1 232.324 0.235 20 0 BCADMP CC[C@H](C)[N@@H+](CCOCC[NH3+])CC(=O)OC ZINC000420366618 192226305 /nfs/dbraw/zinc/22/63/05/192226305.db2.gz GGDNRSAHFHDKRX-JTQLQIEISA-N 2 1 232.324 0.235 20 0 BCADMP C[C@H]([NH3+])CN1CC[NH+](Cc2ccncc2)CC1 ZINC000420370051 192226883 /nfs/dbraw/zinc/22/68/83/192226883.db2.gz YGZVUXTYCXELBY-LBPRGKRZSA-N 2 1 234.347 0.546 20 0 BCADMP CCOC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420323289 192228605 /nfs/dbraw/zinc/22/86/05/192228605.db2.gz BGOJXAIVJPXVQQ-UHFFFAOYSA-N 2 1 200.282 0.361 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCO[C@H](C)C1 ZINC000420326433 192228894 /nfs/dbraw/zinc/22/88/94/192228894.db2.gz XKYXBXIMSIQSNI-CHWSQXEVSA-N 2 1 243.395 0.670 20 0 BCADMP CCOC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420328752 192228904 /nfs/dbraw/zinc/22/89/04/192228904.db2.gz FPIFINCPSNZYMY-UHFFFAOYSA-N 2 1 226.320 0.625 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327918 192229451 /nfs/dbraw/zinc/22/94/51/192229451.db2.gz LSCYMIUSFAQSTB-SRVKXCTJSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327918 192229454 /nfs/dbraw/zinc/22/94/54/192229454.db2.gz LSCYMIUSFAQSTB-SRVKXCTJSA-N 2 1 211.353 0.655 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420357022 192220020 /nfs/dbraw/zinc/22/00/20/192220020.db2.gz HJYSHGKAHPDBIQ-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP C[NH2+]CCC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000420359867 192222957 /nfs/dbraw/zinc/22/29/57/192222957.db2.gz KZLAXIWAZVWFFK-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000420359867 192222959 /nfs/dbraw/zinc/22/29/59/192222959.db2.gz KZLAXIWAZVWFFK-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP CC(C)N(C)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420365552 192224558 /nfs/dbraw/zinc/22/45/58/192224558.db2.gz QGNZIALFGKZICR-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP CCOC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390404884 356369656 /nfs/dbraw/zinc/36/96/56/356369656.db2.gz BFXLQXMSIIWHDX-QWRGUYRKSA-N 2 1 226.320 0.481 20 0 BCADMP COC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368278 192224937 /nfs/dbraw/zinc/22/49/37/192224937.db2.gz HYFUISVWYGQKOI-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1CCOCC1 ZINC000420369330 192224989 /nfs/dbraw/zinc/22/49/89/192224989.db2.gz OIRWFHCSGOIXSU-JHJVBQTASA-N 2 1 241.379 0.295 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCN1CCOCC1 ZINC000420367539 192225507 /nfs/dbraw/zinc/22/55/07/192225507.db2.gz SUBCCBHICCNSMG-LLVKDONJSA-N 2 1 229.368 0.282 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420366444 192225617 /nfs/dbraw/zinc/22/56/17/192225617.db2.gz UOZYLSMLZGZABM-ZDUSSCGKSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1CCOCC1 ZINC000420369329 192225646 /nfs/dbraw/zinc/22/56/46/192225646.db2.gz OIRWFHCSGOIXSU-FRRDWIJNSA-N 2 1 241.379 0.295 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)CCC[NH2+]C ZINC000420381965 192235176 /nfs/dbraw/zinc/23/51/76/192235176.db2.gz CZLOJVFHSYPLAS-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420391377 192236911 /nfs/dbraw/zinc/23/69/11/192236911.db2.gz SGRUVOUJKRYSRS-UHFFFAOYSA-N 2 1 213.369 0.917 20 0 BCADMP C[N@H+]1CC[C@@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408703 192239044 /nfs/dbraw/zinc/23/90/44/192239044.db2.gz PSJHXUWBUSXPBR-OLZOCXBDSA-N 2 1 219.332 0.980 20 0 BCADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415822 192240631 /nfs/dbraw/zinc/24/06/31/192240631.db2.gz VIKCKHBHBULERH-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420418597 192240834 /nfs/dbraw/zinc/24/08/34/192240834.db2.gz XAHWVMOAWHTMNA-QWRGUYRKSA-N 2 1 228.336 0.856 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000420375442 192231106 /nfs/dbraw/zinc/23/11/06/192231106.db2.gz PIUMXZQYWTYBOC-QWRGUYRKSA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000420375442 192231109 /nfs/dbraw/zinc/23/11/09/192231109.db2.gz PIUMXZQYWTYBOC-QWRGUYRKSA-N 2 1 228.336 0.727 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000420377371 192233532 /nfs/dbraw/zinc/23/35/32/192233532.db2.gz WFNXIQQIFKCPIY-NQBHXWOUSA-N 2 1 236.363 0.939 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410901 356483402 /nfs/dbraw/zinc/48/34/02/356483402.db2.gz KGDOZCRMSMHDNF-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CN(C(=O)[C@H]1CSC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019802037 356485181 /nfs/dbraw/zinc/48/51/81/356485181.db2.gz USDNVYXAFRHEGI-SNVBAGLBSA-N 2 1 243.376 0.202 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]CCc1c[nH+]cn1C ZINC000639575621 356502742 /nfs/dbraw/zinc/50/27/42/356502742.db2.gz LGEGFZKQTKIEJN-LLVKDONJSA-N 2 1 211.309 0.569 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000429492914 192289135 /nfs/dbraw/zinc/28/91/35/192289135.db2.gz PWZKAZQEIWAKEA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCN(CCc1cncn1C)[C@H]1CCNC1=O ZINC000639624890 356538674 /nfs/dbraw/zinc/53/86/74/356538674.db2.gz LCZRDIMKMVDHEG-NSHDSACASA-N 2 1 236.319 0.173 20 0 BCADMP CN(CCc1c[nH+]cn1C)C[C@H]1CCC[N@@H+]1C ZINC000421007132 192298007 /nfs/dbraw/zinc/29/80/07/192298007.db2.gz XCKUADWNRZFDPE-CYBMUJFWSA-N 2 1 236.363 0.989 20 0 BCADMP CN(CCc1c[nH+]cn1C)C[C@H]1CCC[N@H+]1C ZINC000421007132 192298008 /nfs/dbraw/zinc/29/80/08/192298008.db2.gz XCKUADWNRZFDPE-CYBMUJFWSA-N 2 1 236.363 0.989 20 0 BCADMP CC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000639646024 356559095 /nfs/dbraw/zinc/55/90/95/356559095.db2.gz MYHZBDQKGJRBRC-UHFFFAOYSA-N 2 1 229.368 0.391 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000336212120 134135250 /nfs/dbraw/zinc/13/52/50/134135250.db2.gz IEBXDEYZGTYLFW-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000630092571 363516270 /nfs/dbraw/zinc/51/62/70/363516270.db2.gz RESAUSDFTISCKN-AAEUAGOBSA-N 2 1 248.330 0.531 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627225747 363551773 /nfs/dbraw/zinc/55/17/73/363551773.db2.gz BNROKOCNDSKNER-NSHDSACASA-N 2 1 240.351 0.213 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627226414 363553352 /nfs/dbraw/zinc/55/33/52/363553352.db2.gz KSQIUQAWYDPCCY-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000168046862 134155904 /nfs/dbraw/zinc/15/59/04/134155904.db2.gz NXTQIZIAUYVSGG-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168046862 134155905 /nfs/dbraw/zinc/15/59/05/134155905.db2.gz NXTQIZIAUYVSGG-SRVKXCTJSA-N 2 1 230.352 0.314 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167678528 134153590 /nfs/dbraw/zinc/15/35/90/134153590.db2.gz QHEVVPLKUDQDTG-QWRGUYRKSA-N 2 1 228.336 0.856 20 0 BCADMP CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761091 356675959 /nfs/dbraw/zinc/67/59/59/356675959.db2.gz GCMYQDYFMAUILC-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761091 356675963 /nfs/dbraw/zinc/67/59/63/356675963.db2.gz GCMYQDYFMAUILC-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP C[C@@H](O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761859 356679710 /nfs/dbraw/zinc/67/97/10/356679710.db2.gz FMTAQFZVIKYROW-CHWSQXEVSA-N 2 1 244.379 0.536 20 0 BCADMP Cn1ncnc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757853 356665082 /nfs/dbraw/zinc/66/50/82/356665082.db2.gz MEDCZBCMZIBXLD-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP Cn1ncnc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757853 356665085 /nfs/dbraw/zinc/66/50/85/356665085.db2.gz MEDCZBCMZIBXLD-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP COC[C@@H](C)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639762466 356685203 /nfs/dbraw/zinc/68/52/03/356685203.db2.gz LHCUXFMVXREOQM-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762466 356685206 /nfs/dbraw/zinc/68/52/06/356685206.db2.gz LHCUXFMVXREOQM-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762466 356685209 /nfs/dbraw/zinc/68/52/09/356685209.db2.gz LHCUXFMVXREOQM-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762466 356685211 /nfs/dbraw/zinc/68/52/11/356685211.db2.gz LHCUXFMVXREOQM-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639762463 356685271 /nfs/dbraw/zinc/68/52/71/356685271.db2.gz LHCUXFMVXREOQM-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762463 356685272 /nfs/dbraw/zinc/68/52/72/356685272.db2.gz LHCUXFMVXREOQM-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762463 356685274 /nfs/dbraw/zinc/68/52/74/356685274.db2.gz LHCUXFMVXREOQM-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762463 356685276 /nfs/dbraw/zinc/68/52/76/356685276.db2.gz LHCUXFMVXREOQM-NEPJUHHUSA-N 2 1 230.352 0.410 20 0 BCADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767143 356696554 /nfs/dbraw/zinc/69/65/54/356696554.db2.gz PZHBZSFKYRYFNS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767143 356696555 /nfs/dbraw/zinc/69/65/55/356696555.db2.gz PZHBZSFKYRYFNS-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000353787270 356718913 /nfs/dbraw/zinc/71/89/13/356718913.db2.gz PUYZUFNTUZCXHY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000353787270 356718916 /nfs/dbraw/zinc/71/89/16/356718916.db2.gz PUYZUFNTUZCXHY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000353787270 356718918 /nfs/dbraw/zinc/71/89/18/356718918.db2.gz PUYZUFNTUZCXHY-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339629 356737946 /nfs/dbraw/zinc/73/79/46/356737946.db2.gz HECBHVONJNSFMX-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339629 356737950 /nfs/dbraw/zinc/73/79/50/356737950.db2.gz HECBHVONJNSFMX-SNVBAGLBSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC000623346638 356754598 /nfs/dbraw/zinc/75/45/98/356754598.db2.gz ZUBBYVOSEBNZBF-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578193647 366379511 /nfs/dbraw/zinc/37/95/11/366379511.db2.gz KFDYJGAEOMGPPE-FXVHWTKVSA-N 2 1 226.320 0.273 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000578194271 366379554 /nfs/dbraw/zinc/37/95/54/366379554.db2.gz RJWUDVXFZYSOQS-KCJUWKMLSA-N 2 1 237.303 0.158 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)CC1(C)C ZINC000623361155 356807293 /nfs/dbraw/zinc/80/72/93/356807293.db2.gz PHRIIEUQVVBSQY-SNVBAGLBSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358519847 356870100 /nfs/dbraw/zinc/87/01/00/356870100.db2.gz GRRXVFIPSXWBQY-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851155 356855389 /nfs/dbraw/zinc/85/53/89/356855389.db2.gz ZHKPBZZROSHQGK-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851155 356855391 /nfs/dbraw/zinc/85/53/91/356855391.db2.gz ZHKPBZZROSHQGK-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)CC1(C)C ZINC000623386191 356913260 /nfs/dbraw/zinc/91/32/60/356913260.db2.gz NBWZIGLKOLCBBT-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)CC1(C)C ZINC000623386191 356913263 /nfs/dbraw/zinc/91/32/63/356913263.db2.gz NBWZIGLKOLCBBT-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000582359208 357103368 /nfs/dbraw/zinc/10/33/68/357103368.db2.gz XUCVTDBFJPZWHK-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000582425712 357145816 /nfs/dbraw/zinc/14/58/16/357145816.db2.gz KMUJICHECVJQGG-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392806186 357234765 /nfs/dbraw/zinc/23/47/65/357234765.db2.gz CKTRVLHYWXYDSD-NWDGAFQWSA-N 2 1 237.347 0.363 20 0 BCADMP CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378540297 357254294 /nfs/dbraw/zinc/25/42/94/357254294.db2.gz KGYPRBRMBCPOTH-UHFFFAOYSA-N 2 1 228.336 0.165 20 0 BCADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217384421 357259848 /nfs/dbraw/zinc/25/98/48/357259848.db2.gz DGXKQWNVBIFJGM-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000394071858 357322960 /nfs/dbraw/zinc/32/29/60/357322960.db2.gz KPMGSGJUSBEMPN-YPMHNXCESA-N 2 1 244.379 0.296 20 0 BCADMP CC(C)[C@@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000394071858 357322963 /nfs/dbraw/zinc/32/29/63/357322963.db2.gz KPMGSGJUSBEMPN-YPMHNXCESA-N 2 1 244.379 0.296 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623408368 357404687 /nfs/dbraw/zinc/40/46/87/357404687.db2.gz SXYBYENYOHYGAV-IXOXFDKPSA-N 2 1 226.364 0.933 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)C1C[NH2+]C1 ZINC000582844740 357414886 /nfs/dbraw/zinc/41/48/86/357414886.db2.gz KMNRGGKPMOLZDP-SKDRFNHKSA-N 2 1 243.326 0.002 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201915 357428391 /nfs/dbraw/zinc/42/83/91/357428391.db2.gz WJSMWTVIFCZLJR-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP C[C@@H](O)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000583079827 357473715 /nfs/dbraw/zinc/47/37/15/357473715.db2.gz NIZKBAUJMVBVST-VXGBXAGGSA-N 2 1 243.395 0.371 20 0 BCADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)O ZINC000583079824 357473723 /nfs/dbraw/zinc/47/37/23/357473723.db2.gz NIZKBAUJMVBVST-NEPJUHHUSA-N 2 1 243.395 0.371 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC(F)(F)C[NH3+])CC[NH2+]1 ZINC000583091163 357478385 /nfs/dbraw/zinc/47/83/85/357478385.db2.gz JAZCRBKYMJFWSK-SFYZADRCSA-N 2 1 235.278 0.227 20 0 BCADMP COCC1(C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000583143551 357494064 /nfs/dbraw/zinc/49/40/64/357494064.db2.gz PPUCMHAUWAQFAS-LBPRGKRZSA-N 3 1 241.379 0.344 20 0 BCADMP CCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178693 357552703 /nfs/dbraw/zinc/55/27/03/357552703.db2.gz HAKCACGZBSXQBY-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CN1CCO[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000085790006 357622526 /nfs/dbraw/zinc/62/25/26/357622526.db2.gz JPAASPQQYYKKON-LBPRGKRZSA-N 2 1 227.352 0.001 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000232015896 357638231 /nfs/dbraw/zinc/63/82/31/357638231.db2.gz LQBUWMWOHOQPGB-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397779142 357694861 /nfs/dbraw/zinc/69/48/61/357694861.db2.gz UYRDQSKFWXQJAW-NOHGZBONSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397779142 357694864 /nfs/dbraw/zinc/69/48/64/357694864.db2.gz UYRDQSKFWXQJAW-NOHGZBONSA-N 2 1 224.348 0.830 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086066966 357810174 /nfs/dbraw/zinc/81/01/74/357810174.db2.gz SRNOAJDSBCWREZ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000235382586 357859403 /nfs/dbraw/zinc/85/94/03/357859403.db2.gz ADBNJBKMMCRFDJ-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000132973598 325257964 /nfs/dbraw/zinc/25/79/64/325257964.db2.gz OQVMXYUGNLLGJF-AXFHLTTASA-N 2 1 225.336 0.195 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000235045009 357842204 /nfs/dbraw/zinc/84/22/04/357842204.db2.gz KAZHJVCJWIASFX-VHSXEESVSA-N 2 1 245.392 0.229 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000235045009 357842208 /nfs/dbraw/zinc/84/22/08/357842208.db2.gz KAZHJVCJWIASFX-VHSXEESVSA-N 2 1 245.392 0.229 20 0 BCADMP C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](C)CC2)CC[NH2+]1 ZINC000235346760 357867176 /nfs/dbraw/zinc/86/71/76/357867176.db2.gz OUSKZRIEJJRGMW-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399082186 357896154 /nfs/dbraw/zinc/89/61/54/357896154.db2.gz SJTNNHGZFJYXED-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398526131 357887186 /nfs/dbraw/zinc/88/71/86/357887186.db2.gz VPTSGEPKCSYDEL-VXGBXAGGSA-N 2 1 232.368 0.296 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399422680 357906341 /nfs/dbraw/zinc/90/63/41/357906341.db2.gz VQBLOMQNDIKBLT-HTAVTVPLSA-N 2 1 212.337 0.926 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399422680 357906347 /nfs/dbraw/zinc/90/63/47/357906347.db2.gz VQBLOMQNDIKBLT-HTAVTVPLSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000584403364 357910879 /nfs/dbraw/zinc/91/08/79/357910879.db2.gz ZAXAJXUSGDRNGC-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000584403364 357910883 /nfs/dbraw/zinc/91/08/83/357910883.db2.gz ZAXAJXUSGDRNGC-OLZOCXBDSA-N 2 1 244.379 0.393 20 0 BCADMP OC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000583747868 357933074 /nfs/dbraw/zinc/93/30/74/357933074.db2.gz HXQYZRBKWDTBPL-NSHDSACASA-N 2 1 224.348 0.975 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000583762642 357938497 /nfs/dbraw/zinc/93/84/97/357938497.db2.gz ASPHKOFVCWPSLN-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939229 /nfs/dbraw/zinc/93/92/29/357939229.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939231 /nfs/dbraw/zinc/93/92/31/357939231.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939234 /nfs/dbraw/zinc/93/92/34/357939234.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP COC[C@@](C)(CO)[NH2+]CCn1cc[nH+]c1C ZINC000639956407 357979340 /nfs/dbraw/zinc/97/93/40/357979340.db2.gz FFBZLTVUTKPPLW-LLVKDONJSA-N 2 1 227.308 0.179 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000584474993 357991279 /nfs/dbraw/zinc/99/12/79/357991279.db2.gz PRKGYIYDSLUGPG-WDEREUQCSA-N 2 1 246.376 0.168 20 0 BCADMP C[C@H](CNC(=O)CC[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000219974507 358010897 /nfs/dbraw/zinc/01/08/97/358010897.db2.gz SIKXICSGAYJCQZ-SNVBAGLBSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1C ZINC000631668578 358011402 /nfs/dbraw/zinc/01/14/02/358011402.db2.gz BYFRNULKXVIDHN-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1C ZINC000631668578 358011404 /nfs/dbraw/zinc/01/14/04/358011404.db2.gz BYFRNULKXVIDHN-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484153 358073180 /nfs/dbraw/zinc/07/31/80/358073180.db2.gz OEAOTKUABHNFFP-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](CCOCCO)CC1 ZINC000640015448 358068329 /nfs/dbraw/zinc/06/83/29/358068329.db2.gz IVRFXZMNIOTCJS-UHFFFAOYSA-N 2 1 244.379 0.802 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CC)C1 ZINC000640035043 358127923 /nfs/dbraw/zinc/12/79/23/358127923.db2.gz FRUOYVSDDPOEJM-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CC)C1 ZINC000640035043 358127925 /nfs/dbraw/zinc/12/79/25/358127925.db2.gz FRUOYVSDDPOEJM-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640035043 358127928 /nfs/dbraw/zinc/12/79/28/358127928.db2.gz FRUOYVSDDPOEJM-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640035043 358127929 /nfs/dbraw/zinc/12/79/29/358127929.db2.gz FRUOYVSDDPOEJM-OLZOCXBDSA-N 2 1 244.379 0.536 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000584727520 358167239 /nfs/dbraw/zinc/16/72/39/358167239.db2.gz GVWGTPADHQDFJD-HTQZYQBOSA-N 2 1 235.278 0.357 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584850672 358209374 /nfs/dbraw/zinc/20/93/74/358209374.db2.gz QFLDGONIUYMNQH-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584850672 358209376 /nfs/dbraw/zinc/20/93/76/358209376.db2.gz QFLDGONIUYMNQH-STQMWFEESA-N 3 1 243.395 0.814 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584850672 358209378 /nfs/dbraw/zinc/20/93/78/358209378.db2.gz QFLDGONIUYMNQH-STQMWFEESA-N 3 1 243.395 0.814 20 0 BCADMP COCCN(C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584850672 358209380 /nfs/dbraw/zinc/20/93/80/358209380.db2.gz QFLDGONIUYMNQH-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224048403 358231503 /nfs/dbraw/zinc/23/15/03/358231503.db2.gz NFYLOMHXYHSCDJ-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040624263 358244650 /nfs/dbraw/zinc/24/46/50/358244650.db2.gz YWBUNLGKQIDGKS-RYUDHWBXSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H](CNC(=O)C[NH2+]C1CC1)[N@@H+](C)C1CC1 ZINC000229094124 358345024 /nfs/dbraw/zinc/34/50/24/358345024.db2.gz OHNJAXZOEIJVJW-VIFPVBQESA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000228610316 358381379 /nfs/dbraw/zinc/38/13/79/358381379.db2.gz HMQSQMKLXQZWDF-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000044364684 358407950 /nfs/dbraw/zinc/40/79/50/358407950.db2.gz GRSMEWWDRRHHOC-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044539018 358390863 /nfs/dbraw/zinc/39/08/63/358390863.db2.gz CDQDPOUOPUUIKD-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000044538941 358391217 /nfs/dbraw/zinc/39/12/17/358391217.db2.gz PRJIWIYCOXEFBS-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538931 358391249 /nfs/dbraw/zinc/39/12/49/358391249.db2.gz YRRBAEBKCVGKKH-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP COC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427568 358437584 /nfs/dbraw/zinc/43/75/84/358437584.db2.gz DFQKODREZNSWOO-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683920 358551304 /nfs/dbraw/zinc/55/13/04/358551304.db2.gz UFTRTGALTASFIG-GFCCVEGCSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683920 358551305 /nfs/dbraw/zinc/55/13/05/358551305.db2.gz UFTRTGALTASFIG-GFCCVEGCSA-N 2 1 223.364 0.907 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805832 358554509 /nfs/dbraw/zinc/55/45/09/358554509.db2.gz VPKIBRHVOYGNAQ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000130979191 358655488 /nfs/dbraw/zinc/65/54/88/358655488.db2.gz BKWOIULJLSIDFI-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000133655211 358762106 /nfs/dbraw/zinc/76/21/06/358762106.db2.gz UFIICKUXOMUXEI-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000133655211 358762108 /nfs/dbraw/zinc/76/21/08/358762108.db2.gz UFIICKUXOMUXEI-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132875519 358737650 /nfs/dbraw/zinc/73/76/50/358737650.db2.gz IAZHUFAFLOFHEJ-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132926463 358739236 /nfs/dbraw/zinc/73/92/36/358739236.db2.gz OUZCBRTVRAXPCX-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298605 358821512 /nfs/dbraw/zinc/82/15/12/358821512.db2.gz IGEDLMURLLBQND-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860265 358809275 /nfs/dbraw/zinc/80/92/75/358809275.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 2 1 237.347 0.420 20 0 BCADMP Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404161 358968459 /nfs/dbraw/zinc/96/84/59/358968459.db2.gz KDKDMLXJPYVIHF-NXEZZACHSA-N 2 1 208.309 0.780 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000059931353 358921380 /nfs/dbraw/zinc/92/13/80/358921380.db2.gz XYQXBOSYACDACO-NSHDSACASA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)S1 ZINC000086435819 358976960 /nfs/dbraw/zinc/97/69/60/358976960.db2.gz XFGMRRKKCNYIJT-AOOOYVTPSA-N 2 1 218.366 0.788 20 0 BCADMP Cn1cncc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000309627566 358949460 /nfs/dbraw/zinc/94/94/60/358949460.db2.gz GUNJCJCFRQIADC-UHFFFAOYSA-N 2 1 222.336 0.646 20 0 BCADMP CC(C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000071197139 359072284 /nfs/dbraw/zinc/07/22/84/359072284.db2.gz MKKIGCOBCXVSRC-CYBMUJFWSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308856690 491139123 /nfs/dbraw/zinc/13/91/23/491139123.db2.gz QDSOEPDMWPNBDJ-WDEREUQCSA-N 2 1 218.341 0.050 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000247117577 359214297 /nfs/dbraw/zinc/21/42/97/359214297.db2.gz QZJFFPBONKKYDV-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000247368320 359216760 /nfs/dbraw/zinc/21/67/60/359216760.db2.gz RNKNOBUKEQSHPR-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252611333 359315112 /nfs/dbraw/zinc/31/51/12/359315112.db2.gz VLEHGQDIBFRTEJ-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CN1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000086638235 359321395 /nfs/dbraw/zinc/32/13/95/359321395.db2.gz ASVIPTNYVYOWMO-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP CN1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000086638235 359321400 /nfs/dbraw/zinc/32/14/00/359321400.db2.gz ASVIPTNYVYOWMO-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000423506619 192798495 /nfs/dbraw/zinc/79/84/95/192798495.db2.gz HIJZTCPXTFEJDS-VXGBXAGGSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000379609506 359566086 /nfs/dbraw/zinc/56/60/86/359566086.db2.gz SHFKVNCYYWLTOG-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000379609506 359566092 /nfs/dbraw/zinc/56/60/92/359566092.db2.gz SHFKVNCYYWLTOG-OUAUKWLOSA-N 2 1 200.326 0.687 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)C1CCC1 ZINC000379611736 359566307 /nfs/dbraw/zinc/56/63/07/359566307.db2.gz UUJJIAZQESKQSA-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000379611736 359566311 /nfs/dbraw/zinc/56/63/11/359566311.db2.gz UUJJIAZQESKQSA-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000379611736 359566317 /nfs/dbraw/zinc/56/63/17/359566317.db2.gz UUJJIAZQESKQSA-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CCC[NH2+]C ZINC000087472757 366600332 /nfs/dbraw/zinc/60/03/32/366600332.db2.gz KZQPUERLLZMMNF-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614034224 363710874 /nfs/dbraw/zinc/71/08/74/363710874.db2.gz ARCVLVSIFHNFRN-UHFFFAOYSA-N 2 1 248.330 0.356 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000095428221 360336766 /nfs/dbraw/zinc/33/67/66/360336766.db2.gz STZFYGUCVHXJNW-LBPRGKRZSA-N 2 1 249.314 0.671 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094460239 360308280 /nfs/dbraw/zinc/30/82/80/360308280.db2.gz JASUVJIQZNIHFT-WDEREUQCSA-N 2 1 239.363 0.809 20 0 BCADMP [NH3+]CCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000094692239 360316383 /nfs/dbraw/zinc/31/63/83/360316383.db2.gz CEAHETWZDDXYFQ-UHFFFAOYSA-N 2 1 249.358 0.859 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623478368 360433945 /nfs/dbraw/zinc/43/39/45/360433945.db2.gz JGZHPDWSQYRHIY-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000449326002 219834779 /nfs/dbraw/zinc/83/47/79/219834779.db2.gz RJMYASGTQBVNIK-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1cc(N[C@H](CO)C[NH+](C)C)nc(C)[nH+]1 ZINC000309493688 491150195 /nfs/dbraw/zinc/15/01/95/491150195.db2.gz XUGYKULSQDOPIJ-JTQLQIEISA-N 2 1 224.308 0.428 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628753957 360632963 /nfs/dbraw/zinc/63/29/63/360632963.db2.gz FKCSHOYUAHBNRR-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629400441 361051762 /nfs/dbraw/zinc/05/17/62/361051762.db2.gz XWUZGTXQESRURT-STQMWFEESA-N 3 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629400441 361051767 /nfs/dbraw/zinc/05/17/67/361051767.db2.gz XWUZGTXQESRURT-STQMWFEESA-N 2 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629400441 361051770 /nfs/dbraw/zinc/05/17/70/361051770.db2.gz XWUZGTXQESRURT-STQMWFEESA-N 2 1 241.379 0.568 20 0 BCADMP CCC(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629406258 361054092 /nfs/dbraw/zinc/05/40/92/361054092.db2.gz LQBIRVDFWRISPG-CMPLNLGQSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000629408942 361058366 /nfs/dbraw/zinc/05/83/66/361058366.db2.gz DABCFPYVAVJJSH-HOSYDEDBSA-N 2 1 209.337 0.421 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424149860 200868940 /nfs/dbraw/zinc/86/89/40/200868940.db2.gz XROFWCITHIPHJQ-UTUOFQBUSA-N 2 1 239.363 0.428 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000629521484 361118225 /nfs/dbraw/zinc/11/82/25/361118225.db2.gz SWSFQNVSVGQOKA-KOLCDFICSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000629521484 361118228 /nfs/dbraw/zinc/11/82/28/361118228.db2.gz SWSFQNVSVGQOKA-KOLCDFICSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629519621 361119870 /nfs/dbraw/zinc/11/98/70/361119870.db2.gz DVLDIWJCWKBQBC-RYUDHWBXSA-N 2 1 242.363 0.851 20 0 BCADMP Nc1ncccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511608 361106115 /nfs/dbraw/zinc/10/61/15/361106115.db2.gz KAXIMVXQVNCIOL-VIFPVBQESA-N 2 1 206.293 0.444 20 0 BCADMP Nc1ncccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511608 361106117 /nfs/dbraw/zinc/10/61/17/361106117.db2.gz KAXIMVXQVNCIOL-VIFPVBQESA-N 2 1 206.293 0.444 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000629510541 361108897 /nfs/dbraw/zinc/10/88/97/361108897.db2.gz CLUYGXDYSGQNMP-SNVBAGLBSA-N 2 1 223.324 0.387 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629510541 361108899 /nfs/dbraw/zinc/10/88/99/361108899.db2.gz CLUYGXDYSGQNMP-SNVBAGLBSA-N 2 1 223.324 0.387 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccnc2N)C1 ZINC000629530797 361145816 /nfs/dbraw/zinc/14/58/16/361145816.db2.gz ROOAACDFWGPCLQ-GFCCVEGCSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccnc2N)C1 ZINC000629530797 361145817 /nfs/dbraw/zinc/14/58/17/361145817.db2.gz ROOAACDFWGPCLQ-GFCCVEGCSA-N 2 1 220.320 0.835 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000629531363 361148625 /nfs/dbraw/zinc/14/86/25/361148625.db2.gz IIZSIOVCFMAWIK-RYUDHWBXSA-N 2 1 229.368 0.472 20 0 BCADMP C[NH2+]CCOCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629531363 361148627 /nfs/dbraw/zinc/14/86/27/361148627.db2.gz IIZSIOVCFMAWIK-RYUDHWBXSA-N 2 1 229.368 0.472 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000158589053 361204870 /nfs/dbraw/zinc/20/48/70/361204870.db2.gz ZZOACBUQTAJTEL-SNVBAGLBSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000158589213 361205420 /nfs/dbraw/zinc/20/54/20/361205420.db2.gz NFEATJYFRUDVGC-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000579103825 366710039 /nfs/dbraw/zinc/71/00/39/366710039.db2.gz UXUHOSPDLBXANO-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428439905 201017140 /nfs/dbraw/zinc/01/71/40/201017140.db2.gz NAPBNRDVJIQSPD-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000622044379 370676635 /nfs/dbraw/zinc/67/66/35/370676635.db2.gz DARSGRQQNCLFEH-MVWJERBFSA-N 2 1 225.336 0.337 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000622044378 370676884 /nfs/dbraw/zinc/67/68/84/370676884.db2.gz DARSGRQQNCLFEH-JLLWLGSASA-N 2 1 225.336 0.337 20 0 BCADMP COC[C@@H](C)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000579238782 366742302 /nfs/dbraw/zinc/74/23/02/366742302.db2.gz WWVDPJYENQNJQE-QWRGUYRKSA-N 2 1 218.316 0.902 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000428728240 201037508 /nfs/dbraw/zinc/03/75/08/201037508.db2.gz KDMDZHYVYMECPY-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000429165253 201070386 /nfs/dbraw/zinc/07/03/86/201070386.db2.gz SHUKRAMJXDYTKW-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429165254 201070819 /nfs/dbraw/zinc/07/08/19/201070819.db2.gz SHUKRAMJXDYTKW-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950102 201052690 /nfs/dbraw/zinc/05/26/90/201052690.db2.gz DDVVLYLHULQPSB-NWDGAFQWSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCSCC1 ZINC000428955514 201053461 /nfs/dbraw/zinc/05/34/61/201053461.db2.gz KZKVFBLHWCRQFU-SNVBAGLBSA-N 2 1 245.392 0.102 20 0 BCADMP C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429077093 201065392 /nfs/dbraw/zinc/06/53/92/201065392.db2.gz GJFDJZPDHBXFOO-AOOOYVTPSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000429167624 201077592 /nfs/dbraw/zinc/07/75/92/201077592.db2.gz YQRPDQRAKPQQSN-GRYCIOLGSA-N 2 1 241.379 0.959 20 0 BCADMP CCO[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000629537317 361401133 /nfs/dbraw/zinc/40/11/33/361401133.db2.gz ORBOFOIFAYACIW-MNOVXSKESA-N 2 1 216.325 0.053 20 0 BCADMP CCO[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000629537319 361401260 /nfs/dbraw/zinc/40/12/60/361401260.db2.gz ORBOFOIFAYACIW-WDEREUQCSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000629537472 361401293 /nfs/dbraw/zinc/40/12/93/361401293.db2.gz JMNVULKAWTYSAS-GHMZBOCLSA-N 3 1 215.341 0.082 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000429313932 201098345 /nfs/dbraw/zinc/09/83/45/201098345.db2.gz GYEMARYCCQKBSY-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)NC1 ZINC000629538817 361403429 /nfs/dbraw/zinc/40/34/29/361403429.db2.gz LHRASNYROWZWAK-SRVKXCTJSA-N 2 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629538817 361403431 /nfs/dbraw/zinc/40/34/31/361403431.db2.gz LHRASNYROWZWAK-SRVKXCTJSA-N 3 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)NC1 ZINC000629538825 361403935 /nfs/dbraw/zinc/40/39/35/361403935.db2.gz LHRASNYROWZWAK-TUAOUCFPSA-N 2 1 229.368 0.470 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629538825 361403937 /nfs/dbraw/zinc/40/39/37/361403937.db2.gz LHRASNYROWZWAK-TUAOUCFPSA-N 3 1 229.368 0.470 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429562204 201115295 /nfs/dbraw/zinc/11/52/95/201115295.db2.gz YYFUTSVBQLYJQY-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)C[N@@H+](C)CCC ZINC000429623943 201123921 /nfs/dbraw/zinc/12/39/21/201123921.db2.gz KTLBFAHAHXOQSM-LLVKDONJSA-N 2 1 229.368 0.962 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)C[NH2+]1 ZINC000629534959 361408908 /nfs/dbraw/zinc/40/89/08/361408908.db2.gz BJIDHDBZRKWUIE-GMTAPVOTSA-N 2 1 239.363 0.774 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C1C[NH2+]C1 ZINC000629555873 361448661 /nfs/dbraw/zinc/44/86/61/361448661.db2.gz HKJPTCXVLCLWAZ-JOYOIKCWSA-N 2 1 237.347 0.337 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544982 361424726 /nfs/dbraw/zinc/42/47/26/361424726.db2.gz OTPDZBWQMNYWQN-GARJFASQSA-N 2 1 223.324 0.397 20 0 BCADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCOCC1 ZINC000629545749 361426980 /nfs/dbraw/zinc/42/69/80/361426980.db2.gz QRHDOHSBRLBZPV-UHTWSYAYSA-N 2 1 242.363 0.768 20 0 BCADMP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000629548249 361433304 /nfs/dbraw/zinc/43/33/04/361433304.db2.gz DQVCAQJQDKLCRB-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000629548249 361433311 /nfs/dbraw/zinc/43/33/11/361433311.db2.gz DQVCAQJQDKLCRB-SDDRHHMPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CCOCC1 ZINC000629549994 361442890 /nfs/dbraw/zinc/44/28/90/361442890.db2.gz UYKASSIZICPIDO-RYUDHWBXSA-N 2 1 242.363 0.994 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556128 361448332 /nfs/dbraw/zinc/44/83/32/361448332.db2.gz KMLIQQBINDZTAG-FRRDWIJNSA-N 2 1 241.379 0.160 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629556128 361448333 /nfs/dbraw/zinc/44/83/33/361448333.db2.gz KMLIQQBINDZTAG-FRRDWIJNSA-N 2 1 241.379 0.160 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541602 361416599 /nfs/dbraw/zinc/41/65/99/361416599.db2.gz RVJVSKZFMJTSRG-OLZOCXBDSA-N 3 1 243.395 0.672 20 0 BCADMP CCN1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541602 361416605 /nfs/dbraw/zinc/41/66/05/361416605.db2.gz RVJVSKZFMJTSRG-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cnccn1 ZINC000629571016 361460696 /nfs/dbraw/zinc/46/06/96/361460696.db2.gz FYESHIFDPRXYST-LLVKDONJSA-N 2 1 238.335 0.705 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cnccn1 ZINC000629571016 361460697 /nfs/dbraw/zinc/46/06/97/361460697.db2.gz FYESHIFDPRXYST-LLVKDONJSA-N 2 1 238.335 0.705 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCOC1 ZINC000629572073 361463797 /nfs/dbraw/zinc/46/37/97/361463797.db2.gz VTPHLGMGEHBEOG-LLVKDONJSA-N 2 1 216.325 0.191 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)CCOC ZINC000629572140 361463858 /nfs/dbraw/zinc/46/38/58/361463858.db2.gz WXVPATDHXPNLSA-LLVKDONJSA-N 2 1 218.341 0.579 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(N)c1 ZINC000629577189 361468019 /nfs/dbraw/zinc/46/80/19/361468019.db2.gz FQGQMPCUGJMSHG-UHFFFAOYSA-N 2 1 223.320 0.676 20 0 BCADMP C[N@H+](CCOCC[NH3+])Cc1cc(C2CC2)no1 ZINC000629580699 361468816 /nfs/dbraw/zinc/46/88/16/361468816.db2.gz DREDVFKYTUDKJC-UHFFFAOYSA-N 2 1 239.319 0.959 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1cc(C2CC2)no1 ZINC000629580699 361468822 /nfs/dbraw/zinc/46/88/22/361468822.db2.gz DREDVFKYTUDKJC-UHFFFAOYSA-N 2 1 239.319 0.959 20 0 BCADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccn1 ZINC000629581336 361471500 /nfs/dbraw/zinc/47/15/00/361471500.db2.gz WNFMCLMTYTYZRO-UHFFFAOYSA-N 2 1 223.320 0.797 20 0 BCADMP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629595545 361482031 /nfs/dbraw/zinc/48/20/31/361482031.db2.gz SACJWTSROJTROL-QWHCGFSZSA-N 2 1 239.363 0.587 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629594097 361485153 /nfs/dbraw/zinc/48/51/53/361485153.db2.gz KZIFRBXBDOVDAY-WCFLWFBJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000163328056 361455377 /nfs/dbraw/zinc/45/53/77/361455377.db2.gz ZIEMFFPZQJDGGG-MNOVXSKESA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000629612148 361501944 /nfs/dbraw/zinc/50/19/44/361501944.db2.gz VHXDWEPMHPMALX-SSDOTTSWSA-N 2 1 223.267 0.037 20 0 BCADMP CO[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000629615684 361504683 /nfs/dbraw/zinc/50/46/83/361504683.db2.gz NTPYHHBAMCJULS-DLOVCJGASA-N 2 1 228.336 0.209 20 0 BCADMP CO[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629615684 361504687 /nfs/dbraw/zinc/50/46/87/361504687.db2.gz NTPYHHBAMCJULS-DLOVCJGASA-N 2 1 228.336 0.209 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1C(=O)CCC1=O ZINC000433501692 201188601 /nfs/dbraw/zinc/18/86/01/201188601.db2.gz GBLNHUKAHVYDGR-GFCCVEGCSA-N 2 1 241.335 0.098 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCSC1 ZINC000629654971 361559314 /nfs/dbraw/zinc/55/93/14/361559314.db2.gz VAJOOIQWPSUZRE-LLVKDONJSA-N 2 1 232.393 0.907 20 0 BCADMP Cn1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000629651218 361555905 /nfs/dbraw/zinc/55/59/05/361555905.db2.gz CNTKDGYTFDPRDQ-UHFFFAOYSA-N 2 1 236.363 0.362 20 0 BCADMP Cc1n[nH]c(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629663130 361595519 /nfs/dbraw/zinc/59/55/19/361595519.db2.gz JUYFMJDAJPBRAP-UHFFFAOYSA-N 2 1 226.324 0.434 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629672227 361614689 /nfs/dbraw/zinc/61/46/89/361614689.db2.gz OQNZSFJGBMZTPL-NNYUYHANSA-N 2 1 211.353 0.715 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000434682312 201235006 /nfs/dbraw/zinc/23/50/06/201235006.db2.gz VUJQZIQAQDETFM-ZYHUDNBSSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000195158015 361639433 /nfs/dbraw/zinc/63/94/33/361639433.db2.gz GKTJZADZFFNCFZ-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000435879628 201293142 /nfs/dbraw/zinc/29/31/42/201293142.db2.gz DPWWMXARLULBEX-RKDXNWHRSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000435879628 201293144 /nfs/dbraw/zinc/29/31/44/201293144.db2.gz DPWWMXARLULBEX-RKDXNWHRSA-N 2 1 240.269 0.984 20 0 BCADMP C[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000083463958 491161849 /nfs/dbraw/zinc/16/18/49/491161849.db2.gz MAKZARXXKZCJDF-UHFFFAOYSA-N 2 1 212.337 0.975 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000155695545 201345338 /nfs/dbraw/zinc/34/53/38/201345338.db2.gz PVXFZGHFFQRGIC-SCVCMEIPSA-N 2 1 241.379 0.959 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000627246616 363850127 /nfs/dbraw/zinc/85/01/27/363850127.db2.gz VBEWAULNBDAHKN-VIFPVBQESA-N 2 1 224.308 0.258 20 0 BCADMP C[N@H+]1CCCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000630387364 364102247 /nfs/dbraw/zinc/10/22/47/364102247.db2.gz NLKQAVHSUFRKAP-NSHDSACASA-N 2 1 224.352 0.657 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364216865 181356832 /nfs/dbraw/zinc/35/68/32/181356832.db2.gz TYRGVLBAKVRGMJ-SECBINFHSA-N 2 1 249.305 0.476 20 0 BCADMP [NH3+]C1CC[NH+](CCc2cn(C3CC3)nn2)CC1 ZINC000630591663 364304779 /nfs/dbraw/zinc/30/47/79/364304779.db2.gz RJUFODMDZPELOH-UHFFFAOYSA-N 2 1 235.335 0.579 20 0 BCADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000631672200 364307887 /nfs/dbraw/zinc/30/78/87/364307887.db2.gz FKTBXWVAKVYCHB-NEPJUHHUSA-N 2 1 242.363 0.599 20 0 BCADMP [NH3+]CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773971 181366572 /nfs/dbraw/zinc/36/65/72/181366572.db2.gz QBSVPYRWUXJCSE-SRVKXCTJSA-N 2 1 237.347 0.278 20 0 BCADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000615303211 364680859 /nfs/dbraw/zinc/68/08/59/364680859.db2.gz QVURRSMFHFYMSP-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167430336 364793090 /nfs/dbraw/zinc/79/30/90/364793090.db2.gz PMGCEXGLUYZSSI-NEPJUHHUSA-N 2 1 214.353 0.933 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000573501382 364849869 /nfs/dbraw/zinc/84/98/69/364849869.db2.gz JFPHSSHZBKKZEU-IUCAKERBSA-N 2 1 249.305 0.556 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328187966 364817117 /nfs/dbraw/zinc/81/71/17/364817117.db2.gz OPDRJIUDXFFHGY-TUAOUCFPSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328187966 364817121 /nfs/dbraw/zinc/81/71/21/364817121.db2.gz OPDRJIUDXFFHGY-TUAOUCFPSA-N 2 1 212.337 0.961 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573447195 364835473 /nfs/dbraw/zinc/83/54/73/364835473.db2.gz BFDJADRTJMQATN-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573487231 364845694 /nfs/dbraw/zinc/84/56/94/364845694.db2.gz BNMDTEZGNLUQRJ-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573608658 364873813 /nfs/dbraw/zinc/87/38/13/364873813.db2.gz ALOQFFWDCSWMLG-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726747 181372509 /nfs/dbraw/zinc/37/25/09/181372509.db2.gz SUOAUHSTMZGWGL-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP Cc1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000069730143 541386272 /nfs/dbraw/zinc/38/62/72/541386272.db2.gz ZKPMWCUARYMFNR-UHFFFAOYSA-N 2 1 224.308 0.939 20 0 BCADMP [NH3+]CCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827011 181371813 /nfs/dbraw/zinc/37/18/13/181371813.db2.gz NVUPDYNUBFYSQQ-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[N@H+]1C ZINC000573962618 364954937 /nfs/dbraw/zinc/95/49/37/364954937.db2.gz LYHRFDBTUFYFGP-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000573966978 364956412 /nfs/dbraw/zinc/95/64/12/364956412.db2.gz ICUYJYJSEPXMMC-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP [NH3+]CCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000037037854 181381023 /nfs/dbraw/zinc/38/10/23/181381023.db2.gz GQHRYOYLBZTKQN-UHFFFAOYSA-N 2 1 234.347 0.548 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168985955 365048486 /nfs/dbraw/zinc/04/84/86/365048486.db2.gz LOPRVBGGLHHJJQ-VHSXEESVSA-N 2 1 214.309 0.751 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000574400439 365053643 /nfs/dbraw/zinc/05/36/43/365053643.db2.gz OQVGKWMQZHFVFF-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[NH2+][C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000574400439 365053653 /nfs/dbraw/zinc/05/36/53/365053653.db2.gz OQVGKWMQZHFVFF-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574454135 365066290 /nfs/dbraw/zinc/06/62/90/365066290.db2.gz QGCGETLXGOLIMU-TUAOUCFPSA-N 2 1 239.363 0.522 20 0 BCADMP O=C(C[NH2+]C1CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000574274156 365024665 /nfs/dbraw/zinc/02/46/65/365024665.db2.gz KBRSPFFOBSKCJD-UHFFFAOYSA-N 2 1 248.330 0.868 20 0 BCADMP C[C@@H](NCc1ccc(C[NH3+])cc1)C1C[NH2+]C1 ZINC000574519459 365080737 /nfs/dbraw/zinc/08/07/37/365080737.db2.gz KNKPTYKUVUMVPD-SNVBAGLBSA-N 2 1 219.332 0.843 20 0 BCADMP CN(C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000574559163 365089342 /nfs/dbraw/zinc/08/93/42/365089342.db2.gz UDNUEOZPSPAVKQ-WDEREUQCSA-N 2 1 225.336 0.243 20 0 BCADMP C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574559163 365089347 /nfs/dbraw/zinc/08/93/47/365089347.db2.gz UDNUEOZPSPAVKQ-WDEREUQCSA-N 2 1 225.336 0.243 20 0 BCADMP [NH3+]CCN[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000044365016 181397922 /nfs/dbraw/zinc/39/79/22/181397922.db2.gz XKFQWRBTGQQPEP-CQSZACIVSA-N 2 1 233.359 0.852 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689498 365121243 /nfs/dbraw/zinc/12/12/43/365121243.db2.gz JVKNFRXJFDQDJP-SRVKXCTJSA-N 2 1 237.347 0.149 20 0 BCADMP C[C@H](NCc1ccc(C[NH3+])cc1)C1C[NH2+]C1 ZINC000574519458 365079986 /nfs/dbraw/zinc/07/99/86/365079986.db2.gz KNKPTYKUVUMVPD-JTQLQIEISA-N 2 1 219.332 0.843 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCC2)C1 ZINC000575135424 365218656 /nfs/dbraw/zinc/21/86/56/365218656.db2.gz ALCPGMHZRHJHBL-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000575135424 365218662 /nfs/dbraw/zinc/21/86/62/365218662.db2.gz ALCPGMHZRHJHBL-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444172539 193039352 /nfs/dbraw/zinc/03/93/52/193039352.db2.gz BALAATGFDNSKSL-YPMHNXCESA-N 2 1 248.330 0.307 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166017 193039587 /nfs/dbraw/zinc/03/95/87/193039587.db2.gz AUOCLZPORVFSPF-HBNTYKKESA-N 2 1 223.320 0.043 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000444167306 193040454 /nfs/dbraw/zinc/04/04/54/193040454.db2.gz LMRRWFBRNSNWKV-AXFHLTTASA-N 2 1 223.320 0.091 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000444180443 193040686 /nfs/dbraw/zinc/04/06/86/193040686.db2.gz HENHVTASWFKRPQ-NTZNESFSSA-N 2 1 237.347 0.054 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444269718 193043449 /nfs/dbraw/zinc/04/34/49/193043449.db2.gz MAGMWZFKCRNAIG-HBNTYKKESA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@H+]1C ZINC000444269716 193044123 /nfs/dbraw/zinc/04/41/23/193044123.db2.gz MAGMWZFKCRNAIG-GMTAPVOTSA-N 2 1 225.336 0.289 20 0 BCADMP COCC[N@@H+](C)CCCc1cncn1C ZINC000575192989 365235959 /nfs/dbraw/zinc/23/59/59/365235959.db2.gz UKLDVXKWQBMPNO-UHFFFAOYSA-N 2 1 211.309 0.931 20 0 BCADMP COCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000575192989 365235965 /nfs/dbraw/zinc/23/59/65/365235965.db2.gz UKLDVXKWQBMPNO-UHFFFAOYSA-N 2 1 211.309 0.931 20 0 BCADMP COCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000575192989 365235972 /nfs/dbraw/zinc/23/59/72/365235972.db2.gz UKLDVXKWQBMPNO-UHFFFAOYSA-N 2 1 211.309 0.931 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000575803639 365368541 /nfs/dbraw/zinc/36/85/41/365368541.db2.gz VOFPLABNOALCCI-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP COCCn1cc(C[N@H+](C)CCC[NH3+])cn1 ZINC000575749707 365352906 /nfs/dbraw/zinc/35/29/06/365352906.db2.gz VOFANHBXHBGYNR-UHFFFAOYSA-N 2 1 226.324 0.310 20 0 BCADMP COCCn1cc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000575749707 365352912 /nfs/dbraw/zinc/35/29/12/365352912.db2.gz VOFANHBXHBGYNR-UHFFFAOYSA-N 2 1 226.324 0.310 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1CF ZINC000575879064 365403965 /nfs/dbraw/zinc/40/39/65/365403965.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 1 218.316 0.733 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000575916364 365411654 /nfs/dbraw/zinc/41/16/54/365411654.db2.gz DVJQYVFIIZLJGA-TUAOUCFPSA-N 2 1 241.379 0.641 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989078 365437121 /nfs/dbraw/zinc/43/71/21/365437121.db2.gz NOONYBGDYKDEAC-VXGBXAGGSA-N 2 1 211.353 0.527 20 0 BCADMP CC[C@]1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085024 541513679 /nfs/dbraw/zinc/51/36/79/541513679.db2.gz JWMVNTCQNAQVIO-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@]1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085024 541513683 /nfs/dbraw/zinc/51/36/83/541513683.db2.gz JWMVNTCQNAQVIO-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579714080 366989551 /nfs/dbraw/zinc/98/95/51/366989551.db2.gz UXQMPRHUSJSFBJ-AOOOYVTPSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579838025 367041145 /nfs/dbraw/zinc/04/11/45/367041145.db2.gz DQAQLGPGDLKJOA-LLVKDONJSA-N 2 1 239.363 0.573 20 0 BCADMP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000580773538 367162543 /nfs/dbraw/zinc/16/25/43/367162543.db2.gz OIRAMAHZMOTASU-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000581006352 367230924 /nfs/dbraw/zinc/23/09/24/367230924.db2.gz LMVVUWYVFGJFRT-LBPRGKRZSA-N 2 1 249.314 0.097 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309962 367338006 /nfs/dbraw/zinc/33/80/06/367338006.db2.gz AIDILBIFBIOVTJ-UPJWGTAASA-N 3 1 225.380 0.916 20 0 BCADMP COC[C@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542703 367303683 /nfs/dbraw/zinc/30/36/83/367303683.db2.gz DKJACDWDPXAVMH-UTUOFQBUSA-N 2 1 212.337 0.762 20 0 BCADMP COC[C@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542703 367303685 /nfs/dbraw/zinc/30/36/85/367303685.db2.gz DKJACDWDPXAVMH-UTUOFQBUSA-N 2 1 212.337 0.762 20 0 BCADMP COC[C@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542703 367303687 /nfs/dbraw/zinc/30/36/87/367303687.db2.gz DKJACDWDPXAVMH-UTUOFQBUSA-N 2 1 212.337 0.762 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000381436500 367402936 /nfs/dbraw/zinc/40/29/36/367402936.db2.gz CVJXLITXOWGHAF-JTQLQIEISA-N 2 1 215.341 0.570 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C(C2CC2)C2CC2)C1 ZINC000381432866 367402990 /nfs/dbraw/zinc/40/29/90/367402990.db2.gz BXXISOLWDGPOOY-ZDUSSCGKSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C(C2CC2)C2CC2)C1 ZINC000381432866 367402993 /nfs/dbraw/zinc/40/29/93/367402993.db2.gz BXXISOLWDGPOOY-ZDUSSCGKSA-N 2 1 224.348 0.831 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381215492 367364840 /nfs/dbraw/zinc/36/48/40/367364840.db2.gz FTKLRXANHPHARI-JQWIXIFHSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381221255 367366657 /nfs/dbraw/zinc/36/66/57/367366657.db2.gz GYVXUOMITKDPPV-LBPRGKRZSA-N 2 1 228.336 0.210 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])C(C)C)n1 ZINC000381742813 367452677 /nfs/dbraw/zinc/45/26/77/367452677.db2.gz PHUCHVXZQRFHQE-CBAPKCEASA-N 2 1 212.297 0.876 20 0 BCADMP C[C@@H]1CC[N@H+](CCN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000381780566 367456915 /nfs/dbraw/zinc/45/69/15/367456915.db2.gz XUUJTEFXQZDBDX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000381780566 367456921 /nfs/dbraw/zinc/45/69/21/367456921.db2.gz XUUJTEFXQZDBDX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000381780566 367456925 /nfs/dbraw/zinc/45/69/25/367456925.db2.gz XUUJTEFXQZDBDX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000381780566 367456931 /nfs/dbraw/zinc/45/69/31/367456931.db2.gz XUUJTEFXQZDBDX-AGIUHOORSA-N 2 1 225.380 0.868 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186855 367496657 /nfs/dbraw/zinc/49/66/57/367496657.db2.gz HCOOTCNJKGDFRC-UMSGYPCISA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186855 367496660 /nfs/dbraw/zinc/49/66/60/367496660.db2.gz HCOOTCNJKGDFRC-UMSGYPCISA-N 2 1 224.348 0.831 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000382571535 367541749 /nfs/dbraw/zinc/54/17/49/367541749.db2.gz RNDYNHWBRONDMU-WUHRBBMRSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836779 367561577 /nfs/dbraw/zinc/56/15/77/367561577.db2.gz PKYHRDKXDOKMSI-CHWSQXEVSA-N 3 1 243.395 0.494 20 0 BCADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836779 367561581 /nfs/dbraw/zinc/56/15/81/367561581.db2.gz PKYHRDKXDOKMSI-CHWSQXEVSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836780 367562291 /nfs/dbraw/zinc/56/22/91/367562291.db2.gz PKYHRDKXDOKMSI-OLZOCXBDSA-N 3 1 243.395 0.494 20 0 BCADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836780 367562295 /nfs/dbraw/zinc/56/22/95/367562295.db2.gz PKYHRDKXDOKMSI-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836782 367562331 /nfs/dbraw/zinc/56/23/31/367562331.db2.gz PKYHRDKXDOKMSI-QWHCGFSZSA-N 3 1 243.395 0.494 20 0 BCADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836782 367562335 /nfs/dbraw/zinc/56/23/35/367562335.db2.gz PKYHRDKXDOKMSI-QWHCGFSZSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(O)C1 ZINC000382843511 367563783 /nfs/dbraw/zinc/56/37/83/367563783.db2.gz XTKWUJGTMDXBIP-WNYYMSAVSA-N 2 1 212.337 0.687 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000581555519 367586572 /nfs/dbraw/zinc/58/65/72/367586572.db2.gz CMLYKZXVOMLSEW-MRVPVSSYSA-N 2 1 249.305 0.475 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383380116 367617583 /nfs/dbraw/zinc/61/75/83/367617583.db2.gz PQCFPKAZFCCEAV-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600686 367642995 /nfs/dbraw/zinc/64/29/95/367642995.db2.gz QCZWVLGCFBNUSA-STQMWFEESA-N 2 1 244.379 0.702 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600686 367643002 /nfs/dbraw/zinc/64/30/02/367643002.db2.gz QCZWVLGCFBNUSA-STQMWFEESA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H](CC[NH+](C)C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000383644575 367646453 /nfs/dbraw/zinc/64/64/53/367646453.db2.gz CDKUAMJBUBDWQD-YPMHNXCESA-N 2 1 243.395 0.371 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCCC1 ZINC000383790107 367654491 /nfs/dbraw/zinc/65/44/91/367654491.db2.gz QUUIWGVVOITVDG-CYBMUJFWSA-N 2 1 243.395 0.327 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000384809305 367736170 /nfs/dbraw/zinc/73/61/70/367736170.db2.gz FMUBSCXWFPKKDT-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386144205 367920575 /nfs/dbraw/zinc/92/05/75/367920575.db2.gz QWMDVSCRIZEQGF-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000386488881 367979847 /nfs/dbraw/zinc/97/98/47/367979847.db2.gz UAMDHZFFVCJUFF-LLVKDONJSA-N 2 1 224.352 0.656 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620884 368003439 /nfs/dbraw/zinc/00/34/39/368003439.db2.gz YEFAKYWGYIPQPM-IJLUTSLNSA-N 2 1 230.352 0.504 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442662979 201584632 /nfs/dbraw/zinc/58/46/32/201584632.db2.gz GIEXOFCXOVXBLZ-VXGBXAGGSA-N 2 1 213.369 0.997 20 0 BCADMP C[NH+](C)CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000615505702 368081068 /nfs/dbraw/zinc/08/10/68/368081068.db2.gz IMYOCFPSOXCBHJ-UHFFFAOYSA-N 2 1 239.363 0.348 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081015488 368567474 /nfs/dbraw/zinc/56/74/74/368567474.db2.gz WJNBSZLJNHEZPT-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000085283352 368864848 /nfs/dbraw/zinc/86/48/48/368864848.db2.gz CLDIMBXVPURQPP-GRYCIOLGSA-N 2 1 210.321 0.707 20 0 BCADMP CCn1ncnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000088602791 368919827 /nfs/dbraw/zinc/91/98/27/368919827.db2.gz UZIYBOIVZIQWTK-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP CCn1ncnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000088602791 368919836 /nfs/dbraw/zinc/91/98/36/368919836.db2.gz UZIYBOIVZIQWTK-NSHDSACASA-N 2 1 237.351 0.859 20 0 BCADMP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000631823435 368982006 /nfs/dbraw/zinc/98/20/06/368982006.db2.gz DNKUOXFUICSKDO-WCQYABFASA-N 2 1 247.346 0.451 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000631828995 369003775 /nfs/dbraw/zinc/00/37/75/369003775.db2.gz DGKCEUVWELMZTJ-UMSGYPCISA-N 2 1 242.363 0.707 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631830672 369009276 /nfs/dbraw/zinc/00/92/76/369009276.db2.gz YRLHLTNPCAAXGM-NEPJUHHUSA-N 2 1 230.352 0.579 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1(C)C ZINC000623661095 369070107 /nfs/dbraw/zinc/07/01/07/369070107.db2.gz ICWCUAFMMUZGLR-DCAQKATOSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838806 369122168 /nfs/dbraw/zinc/12/21/68/369122168.db2.gz VMWGJAGQEDUCEM-DGCLKSJQSA-N 3 1 225.380 0.903 20 0 BCADMP COCC[N@H+]1CC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000567639278 326236642 /nfs/dbraw/zinc/23/66/42/326236642.db2.gz DHTVFERFWOMCCQ-ZDUSSCGKSA-N 2 1 243.395 0.685 20 0 BCADMP COCCN1CC[C@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000567639278 326236643 /nfs/dbraw/zinc/23/66/43/326236643.db2.gz DHTVFERFWOMCCQ-ZDUSSCGKSA-N 2 1 243.395 0.685 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000567685194 326244716 /nfs/dbraw/zinc/24/47/16/326244716.db2.gz XDLNMOPTZAKMAT-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP CCNC(=O)C(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000459602157 203314763 /nfs/dbraw/zinc/31/47/63/203314763.db2.gz YJPJBWWHLMCDDW-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP CCNC(=O)C(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000459602157 203314766 /nfs/dbraw/zinc/31/47/66/203314766.db2.gz YJPJBWWHLMCDDW-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC000405427177 369460217 /nfs/dbraw/zinc/46/02/17/369460217.db2.gz HWZJCMGKDWSAPI-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000619898150 369630346 /nfs/dbraw/zinc/63/03/46/369630346.db2.gz FBSTYSGTGDGQNZ-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000619898150 369630350 /nfs/dbraw/zinc/63/03/50/369630350.db2.gz FBSTYSGTGDGQNZ-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000619898150 369630353 /nfs/dbraw/zinc/63/03/53/369630353.db2.gz FBSTYSGTGDGQNZ-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000619905058 369635449 /nfs/dbraw/zinc/63/54/49/369635449.db2.gz PUBPOVWZQFERCJ-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000619905058 369635453 /nfs/dbraw/zinc/63/54/53/369635453.db2.gz PUBPOVWZQFERCJ-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP [NH3+]CCC1CCN(CC2(C[NH3+])CC2)CC1 ZINC000568007306 326294834 /nfs/dbraw/zinc/29/48/34/326294834.db2.gz GENAAAHCYHKJQX-UHFFFAOYSA-N 2 1 211.353 0.786 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000568153145 326314256 /nfs/dbraw/zinc/31/42/56/326314256.db2.gz YMYOMSJGECGEKR-MRVPVSSYSA-N 2 1 235.278 0.229 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH2+]C)C1 ZINC000252639638 370104345 /nfs/dbraw/zinc/10/43/45/370104345.db2.gz KAIIBRQMMZTUKS-MNOVXSKESA-N 2 1 227.352 0.300 20 0 BCADMP C[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000253237565 370167787 /nfs/dbraw/zinc/16/77/87/370167787.db2.gz PAECRHUXAXVWOQ-NWDGAFQWSA-N 2 1 222.336 0.800 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000063582808 370173654 /nfs/dbraw/zinc/17/36/54/370173654.db2.gz IGICWTGVCMLHAV-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000063582808 370173660 /nfs/dbraw/zinc/17/36/60/370173660.db2.gz IGICWTGVCMLHAV-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252881802 370138370 /nfs/dbraw/zinc/13/83/70/370138370.db2.gz YZAWMINZWHBKMT-BJDJZHNGSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000253182667 370158190 /nfs/dbraw/zinc/15/81/90/370158190.db2.gz FZPHGTDRPBKYDV-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000253182667 370158197 /nfs/dbraw/zinc/15/81/97/370158197.db2.gz FZPHGTDRPBKYDV-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309833357 370265982 /nfs/dbraw/zinc/26/59/82/370265982.db2.gz ZFPMKYQWZAJWRZ-GHMZBOCLSA-N 3 1 215.341 0.021 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621680657 370430102 /nfs/dbraw/zinc/43/01/02/370430102.db2.gz GHWNIJCBKTVENS-WPRPVWTQSA-N 2 1 247.289 0.310 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653962 370414489 /nfs/dbraw/zinc/41/44/89/370414489.db2.gz LVHDFMVPVIDORX-SECBINFHSA-N 2 1 249.305 0.476 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621693578 370439871 /nfs/dbraw/zinc/43/98/71/370439871.db2.gz YDWKPPNDACBFIF-YPMHNXCESA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690153 370438882 /nfs/dbraw/zinc/43/88/82/370438882.db2.gz QFQRTKJRZCUBLI-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP CCn1cc(CC[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000621774408 370519921 /nfs/dbraw/zinc/51/99/21/370519921.db2.gz SRCSGNXZKCISJH-LLVKDONJSA-N 2 1 222.336 0.726 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000621772474 370516254 /nfs/dbraw/zinc/51/62/54/370516254.db2.gz FFPKTICXIVOAAY-CYZMBNFOSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000621772474 370516260 /nfs/dbraw/zinc/51/62/60/370516260.db2.gz FFPKTICXIVOAAY-CYZMBNFOSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000114400268 370557447 /nfs/dbraw/zinc/55/74/47/370557447.db2.gz CXBNLFOOUBVIHR-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1=O ZINC000621779166 370528397 /nfs/dbraw/zinc/52/83/97/370528397.db2.gz AZQLCKVBXJTLCS-JSGCOSHPSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1=O ZINC000621779166 370528404 /nfs/dbraw/zinc/52/84/04/370528404.db2.gz AZQLCKVBXJTLCS-JSGCOSHPSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1=O ZINC000621779168 370528745 /nfs/dbraw/zinc/52/87/45/370528745.db2.gz AZQLCKVBXJTLCS-TZMCWYRMSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1=O ZINC000621779168 370528750 /nfs/dbraw/zinc/52/87/50/370528750.db2.gz AZQLCKVBXJTLCS-TZMCWYRMSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781961 370530894 /nfs/dbraw/zinc/53/08/94/370530894.db2.gz KLNFDXNHWHKLSL-STQMWFEESA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781961 370530896 /nfs/dbraw/zinc/53/08/96/370530896.db2.gz KLNFDXNHWHKLSL-STQMWFEESA-N 2 1 234.347 0.776 20 0 BCADMP CN1CCC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784116 370535578 /nfs/dbraw/zinc/53/55/78/370535578.db2.gz KDDYWSMDCKJQEN-MDZLAQPJSA-N 2 1 237.347 0.420 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784116 370535580 /nfs/dbraw/zinc/53/55/80/370535580.db2.gz KDDYWSMDCKJQEN-MDZLAQPJSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516810 326362321 /nfs/dbraw/zinc/36/23/21/326362321.db2.gz OQPNGCDXNKJFRR-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCCO1 ZINC000623960919 371198949 /nfs/dbraw/zinc/19/89/49/371198949.db2.gz MCOIDYKDJVIRBW-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000623960919 371198954 /nfs/dbraw/zinc/19/89/54/371198954.db2.gz MCOIDYKDJVIRBW-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120198 371318966 /nfs/dbraw/zinc/31/89/66/371318966.db2.gz UHPCJRNVALJYSH-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120196 371320017 /nfs/dbraw/zinc/32/00/17/371320017.db2.gz UHPCJRNVALJYSH-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2C)CC[N@H+]1C ZINC000624174262 371365040 /nfs/dbraw/zinc/36/50/40/371365040.db2.gz UVCCXYHPXAQQDR-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000624131804 371333918 /nfs/dbraw/zinc/33/39/18/371333918.db2.gz ZLSMRIMDKKTLFK-CHWFTXMASA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000624131804 371333923 /nfs/dbraw/zinc/33/39/23/371333923.db2.gz ZLSMRIMDKKTLFK-CHWFTXMASA-N 2 1 225.336 0.323 20 0 BCADMP Nc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336538178 181743278 /nfs/dbraw/zinc/74/32/78/181743278.db2.gz ATZXXSOWLLDSRQ-TXEJJXNPSA-N 2 1 217.316 0.920 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCO[C@@H]2C)CCO1 ZINC000631823216 372600726 /nfs/dbraw/zinc/60/07/26/372600726.db2.gz ZAHDGMRYIWLAAQ-QCNOEVLYSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H]2C)CCO1 ZINC000631823216 372600734 /nfs/dbraw/zinc/60/07/34/372600734.db2.gz ZAHDGMRYIWLAAQ-QCNOEVLYSA-N 2 1 228.336 0.459 20 0 BCADMP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000631825484 372603696 /nfs/dbraw/zinc/60/36/96/372603696.db2.gz KCQGUSDPHGJHBW-LOWVWBTDSA-N 2 1 249.358 0.291 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631822252 372598769 /nfs/dbraw/zinc/59/87/69/372598769.db2.gz XVXBTSSXZSFDLC-TUAOUCFPSA-N 2 1 249.362 0.825 20 0 BCADMP Cc1nccnc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000631822284 372598904 /nfs/dbraw/zinc/59/89/04/372598904.db2.gz YSCFDNHSPYLCHK-UHFFFAOYSA-N 2 1 249.362 0.122 20 0 BCADMP Cc1nccnc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000631822284 372598909 /nfs/dbraw/zinc/59/89/09/372598909.db2.gz YSCFDNHSPYLCHK-UHFFFAOYSA-N 2 1 249.362 0.122 20 0 BCADMP C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823454 372600111 /nfs/dbraw/zinc/60/01/11/372600111.db2.gz FDFOJRNHSOAOMH-NWDGAFQWSA-N 2 1 249.362 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000631837101 372627208 /nfs/dbraw/zinc/62/72/08/372627208.db2.gz MUSJUZDXDVHRSJ-BBBLOLIVSA-N 2 1 234.290 0.937 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837046 372627726 /nfs/dbraw/zinc/62/77/26/372627726.db2.gz MBMZHCABLGBHHQ-IJLUTSLNSA-N 3 1 239.363 0.034 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837740 372629749 /nfs/dbraw/zinc/62/97/49/372629749.db2.gz DSMXOYCIZOHLEP-ZYHUDNBSSA-N 2 1 222.336 0.489 20 0 BCADMP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839221 372633975 /nfs/dbraw/zinc/63/39/75/372633975.db2.gz BZTCCDBVFMCMRV-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCOCC1 ZINC000631853273 372653430 /nfs/dbraw/zinc/65/34/30/372653430.db2.gz SZUAPJOMUJXJHN-BETUJISGSA-N 2 1 239.363 0.145 20 0 BCADMP C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860635 372660167 /nfs/dbraw/zinc/66/01/67/372660167.db2.gz METXSZUEZBNWDP-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860635 372660175 /nfs/dbraw/zinc/66/01/75/372660175.db2.gz METXSZUEZBNWDP-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860635 372660177 /nfs/dbraw/zinc/66/01/77/372660177.db2.gz METXSZUEZBNWDP-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC000631860635 372660185 /nfs/dbraw/zinc/66/01/85/372660185.db2.gz METXSZUEZBNWDP-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+]CCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000631865344 372666190 /nfs/dbraw/zinc/66/61/90/372666190.db2.gz IMPZUKKQROXSDR-QMMMGPOBSA-N 2 1 208.252 0.691 20 0 BCADMP [NH3+]CCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000631865344 372666198 /nfs/dbraw/zinc/66/61/98/372666198.db2.gz IMPZUKKQROXSDR-QMMMGPOBSA-N 2 1 208.252 0.691 20 0 BCADMP c1nc2n(n1)[C@H](C[NH2+][C@]13CCC[C@@H]1C[NH2+]C3)CC2 ZINC000631866958 372667930 /nfs/dbraw/zinc/66/79/30/372667930.db2.gz FCGMCXYULPDVLP-MDZLAQPJSA-N 2 1 247.346 0.497 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634300666 374126944 /nfs/dbraw/zinc/12/69/44/374126944.db2.gz HDWVKPMZDZWCJL-VXGBXAGGSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CCCC[NH3+])CC[N@H+]1C ZINC000634300868 374128474 /nfs/dbraw/zinc/12/84/74/374128474.db2.gz NRDGEVGDJNXZTK-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000424129668 206033678 /nfs/dbraw/zinc/03/36/78/206033678.db2.gz GJVGWLNDALQWTP-YFKTTZPYSA-N 2 1 239.363 0.713 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000037023696 182301404 /nfs/dbraw/zinc/30/14/04/182301404.db2.gz SZHOSNJOPBWCLC-WOPDTQHZSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911066 182303206 /nfs/dbraw/zinc/30/32/06/182303206.db2.gz STCNJOBUEJXWHN-IJLUTSLNSA-N 2 1 237.347 0.339 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000044726739 182334210 /nfs/dbraw/zinc/33/42/10/182334210.db2.gz VGGFKDOFYXBXAQ-JQWIXIFHSA-N 2 1 237.347 0.481 20 0 BCADMP OCC1([NH2+]Cc2ccccc2)CC[NH2+]CC1 ZINC000040695488 183038967 /nfs/dbraw/zinc/03/89/67/183038967.db2.gz NJTXKKLWISIGRM-UHFFFAOYSA-N 2 1 220.316 0.891 20 0 BCADMP OCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304292174 183057310 /nfs/dbraw/zinc/05/73/10/183057310.db2.gz MNRBQFCRSRJCBK-LBPRGKRZSA-N 2 1 212.337 0.787 20 0 BCADMP OC[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CO ZINC000071920933 183120324 /nfs/dbraw/zinc/12/03/24/183120324.db2.gz NLFDFXLSEISWHZ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358756132 169067847 /nfs/dbraw/zinc/06/78/47/169067847.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000358756132 169067851 /nfs/dbraw/zinc/06/78/51/169067851.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358756132 169067855 /nfs/dbraw/zinc/06/78/55/169067855.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358756132 169067859 /nfs/dbraw/zinc/06/78/59/169067859.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356394883 169068783 /nfs/dbraw/zinc/06/87/83/169068783.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000310022250 169069925 /nfs/dbraw/zinc/06/99/25/169069925.db2.gz NXOIZCJZLJPJMR-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341310601 169070266 /nfs/dbraw/zinc/07/02/66/169070266.db2.gz ZLFQUZRCIUOQGG-LLVKDONJSA-N 2 1 229.368 0.642 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000309609528 169070605 /nfs/dbraw/zinc/07/06/05/169070605.db2.gz MHHDOSGTUPZZJL-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C ZINC000336718597 169070878 /nfs/dbraw/zinc/07/08/78/169070878.db2.gz XKMCJPRELIYZNQ-UHFFFAOYSA-N 2 1 201.314 0.054 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000359314619 169073460 /nfs/dbraw/zinc/07/34/60/169073460.db2.gz DPUDZCJBNXGBBO-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000355601598 169075611 /nfs/dbraw/zinc/07/56/11/169075611.db2.gz ZRWNNUZSTJLNOY-LLVKDONJSA-N 2 1 229.368 0.785 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000346217973 169067109 /nfs/dbraw/zinc/06/71/09/169067109.db2.gz IGBPVOBKXIXKHV-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000346217973 169067111 /nfs/dbraw/zinc/06/71/11/169067111.db2.gz IGBPVOBKXIXKHV-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000346217973 169067113 /nfs/dbraw/zinc/06/71/13/169067113.db2.gz IGBPVOBKXIXKHV-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000346217973 169067117 /nfs/dbraw/zinc/06/71/17/169067117.db2.gz IGBPVOBKXIXKHV-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC000127319998 169079601 /nfs/dbraw/zinc/07/96/01/169079601.db2.gz XRQJSPVWVNZYLG-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127319998 169079603 /nfs/dbraw/zinc/07/96/03/169079603.db2.gz XRQJSPVWVNZYLG-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127319998 169079605 /nfs/dbraw/zinc/07/96/05/169079605.db2.gz XRQJSPVWVNZYLG-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP O[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000337976760 183238104 /nfs/dbraw/zinc/23/81/04/183238104.db2.gz LZTRLJHYTXWCAK-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH3+] ZINC000226406876 169121036 /nfs/dbraw/zinc/12/10/36/169121036.db2.gz DHTREQYAPJUJAD-UHFFFAOYSA-N 2 1 215.341 0.572 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C1([NH3+])CC1 ZINC000226406818 169121045 /nfs/dbraw/zinc/12/10/45/169121045.db2.gz WYDUOHOIELTPSG-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000226407568 169121093 /nfs/dbraw/zinc/12/10/93/169121093.db2.gz NZHQCIWOAQHQAJ-NSHDSACASA-N 2 1 229.368 0.690 20 0 BCADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248050 169141602 /nfs/dbraw/zinc/14/16/02/169141602.db2.gz RMOGMTTZVOSXPZ-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248050 169141603 /nfs/dbraw/zinc/14/16/03/169141603.db2.gz RMOGMTTZVOSXPZ-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337324318 169198977 /nfs/dbraw/zinc/19/89/77/169198977.db2.gz UHWWJSCBPAYOMH-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000337324318 169198979 /nfs/dbraw/zinc/19/89/79/169198979.db2.gz UHWWJSCBPAYOMH-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988570 169222797 /nfs/dbraw/zinc/22/27/97/169222797.db2.gz MFXAQKBBFSEAQD-MNOVXSKESA-N 2 1 227.352 0.429 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988570 169222799 /nfs/dbraw/zinc/22/27/99/169222799.db2.gz MFXAQKBBFSEAQD-MNOVXSKESA-N 2 1 227.352 0.429 20 0 BCADMP c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403802 183346151 /nfs/dbraw/zinc/34/61/51/183346151.db2.gz DGCZLMCTOTVFGY-AWEZNQCLSA-N 2 1 246.358 0.561 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360165255 169216779 /nfs/dbraw/zinc/21/67/79/169216779.db2.gz KVSHXDRMWGRKIG-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531354 169240854 /nfs/dbraw/zinc/24/08/54/169240854.db2.gz BSWXODMJASWRNM-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531354 169240856 /nfs/dbraw/zinc/24/08/56/169240856.db2.gz BSWXODMJASWRNM-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295222 169241520 /nfs/dbraw/zinc/24/15/20/169241520.db2.gz KJOIJGQWUCKJRC-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@H+]1C ZINC000178816131 134315513 /nfs/dbraw/zinc/31/55/13/134315513.db2.gz SMDSNDWVJDQHSV-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)F)CC[N@@H+]1C ZINC000224441035 134347096 /nfs/dbraw/zinc/34/70/96/134347096.db2.gz QTAOUXHXEGRUKT-IWSPIJDZSA-N 2 1 222.279 0.685 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)F)CC[N@H+]1C ZINC000224441035 134347097 /nfs/dbraw/zinc/34/70/97/134347097.db2.gz QTAOUXHXEGRUKT-IWSPIJDZSA-N 2 1 222.279 0.685 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000226397493 169841817 /nfs/dbraw/zinc/84/18/17/169841817.db2.gz PPQRAZYIAGHRTB-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840201 383848293 /nfs/dbraw/zinc/84/82/93/383848293.db2.gz UDJSVDLEWAAHRP-SNVBAGLBSA-N 2 1 215.341 0.570 20 0 BCADMP C[NH2+][C@@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000401727736 383865194 /nfs/dbraw/zinc/86/51/94/383865194.db2.gz MSYRYHAKKWJYDX-LLVKDONJSA-N 2 1 222.336 0.646 20 0 BCADMP COCC[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000301048521 383876809 /nfs/dbraw/zinc/87/68/09/383876809.db2.gz QPGWCTVQESMWES-JTQLQIEISA-N 2 1 204.314 0.319 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000449335720 383884665 /nfs/dbraw/zinc/88/46/65/383884665.db2.gz JZFFXFZIQMIRAP-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1([NH+](C)C)CC1 ZINC000643610887 383893715 /nfs/dbraw/zinc/89/37/15/383893715.db2.gz XTEPPXOHMGTGAN-UHFFFAOYSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768159 383978892 /nfs/dbraw/zinc/97/88/92/383978892.db2.gz KQXLNHVVWXUQCZ-NSHDSACASA-N 2 1 220.320 0.908 20 0 BCADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768159 383978896 /nfs/dbraw/zinc/97/88/96/383978896.db2.gz KQXLNHVVWXUQCZ-NSHDSACASA-N 2 1 220.320 0.908 20 0 BCADMP Cc1[nH+]cc(CNC[C@](C)(O)C[NH+](C)C)n1C ZINC000516938746 383998117 /nfs/dbraw/zinc/99/81/17/383998117.db2.gz YRFOPKPKIDLANC-LBPRGKRZSA-N 2 1 240.351 0.131 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186830271 384026801 /nfs/dbraw/zinc/02/68/01/384026801.db2.gz RUCUIRFNAMFXMQ-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000114076544 384023819 /nfs/dbraw/zinc/02/38/19/384023819.db2.gz AXBZLDICZJFNOH-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000114076544 384023825 /nfs/dbraw/zinc/02/38/25/384023825.db2.gz AXBZLDICZJFNOH-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000114076544 384023832 /nfs/dbraw/zinc/02/38/32/384023832.db2.gz AXBZLDICZJFNOH-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CCCC[N@@H+](CCO)CCn1ccnc1 ZINC000049800524 384042446 /nfs/dbraw/zinc/04/24/46/384042446.db2.gz IFEDUZGGOZDXEB-UHFFFAOYSA-N 2 1 211.309 0.978 20 0 BCADMP O=C(CCn1ccnc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518607122 384067770 /nfs/dbraw/zinc/06/77/70/384067770.db2.gz XXJYCADZSWEYFL-LLVKDONJSA-N 2 1 248.330 0.626 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000648128662 384073441 /nfs/dbraw/zinc/07/34/41/384073441.db2.gz GZBDPVBFKDMPLX-LDYMZIIASA-N 2 1 237.303 0.158 20 0 BCADMP CC(=O)NCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000560405061 384117988 /nfs/dbraw/zinc/11/79/88/384117988.db2.gz ZEMQGSRDOCGXTC-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000560405061 384117997 /nfs/dbraw/zinc/11/79/97/384117997.db2.gz ZEMQGSRDOCGXTC-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[N@@H+](C[C@@H](O)CNC[C@H]1CCC[NH+]1C)C1CC1 ZINC000310226251 384127826 /nfs/dbraw/zinc/12/78/26/384127826.db2.gz GVPFZPCPERZOSH-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CNC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000310226251 384127832 /nfs/dbraw/zinc/12/78/32/384127832.db2.gz GVPFZPCPERZOSH-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CNC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000310226251 384127835 /nfs/dbraw/zinc/12/78/35/384127835.db2.gz GVPFZPCPERZOSH-OLZOCXBDSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648139978 384169392 /nfs/dbraw/zinc/16/93/92/384169392.db2.gz WMOFRLMOXKJCJW-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163232921 384184551 /nfs/dbraw/zinc/18/45/51/384184551.db2.gz WFMGPJIAHQXTBX-ZWNOBZJWSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]([NH2+]CC(C)(C)CO)[C@@H]1CCC[NH2+]1 ZINC000400362693 384205463 /nfs/dbraw/zinc/20/54/63/384205463.db2.gz CODVXFFZIROYBJ-UWVGGRQHSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@@H]([NH2+]CC(C)(C)CO)[C@H]1CCC[NH2+]1 ZINC000400362689 384206534 /nfs/dbraw/zinc/20/65/34/384206534.db2.gz CODVXFFZIROYBJ-NXEZZACHSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000163243460 384188872 /nfs/dbraw/zinc/18/88/72/384188872.db2.gz KVIDNTHIHMHLKE-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000163243460 384188876 /nfs/dbraw/zinc/18/88/76/384188876.db2.gz KVIDNTHIHMHLKE-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000163247597 384189733 /nfs/dbraw/zinc/18/97/33/384189733.db2.gz SWMKWZCZBIUQNE-GWCFXTLKSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000163258255 384196073 /nfs/dbraw/zinc/19/60/73/384196073.db2.gz QVGFRSGUYSEOSL-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000163258255 384196076 /nfs/dbraw/zinc/19/60/76/384196076.db2.gz QVGFRSGUYSEOSL-GARJFASQSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)CC[N@H+]1C ZINC000133413646 384244167 /nfs/dbraw/zinc/24/41/67/384244167.db2.gz IVGVVPQKVCXQFA-GHMZBOCLSA-N 2 1 212.337 0.974 20 0 BCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228538606 384277373 /nfs/dbraw/zinc/27/73/73/384277373.db2.gz AGTMVVWLCPGSMR-CYZMBNFOSA-N 2 1 234.347 0.979 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000082645529 384253318 /nfs/dbraw/zinc/25/33/18/384253318.db2.gz JJWSVRZDWBYTOT-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000082645529 384253322 /nfs/dbraw/zinc/25/33/22/384253322.db2.gz JJWSVRZDWBYTOT-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000228472470 384257229 /nfs/dbraw/zinc/25/72/29/384257229.db2.gz BMIGAZJTNRHFAK-YUSALJHKSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@@H](C(=O)NCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237515753 384257648 /nfs/dbraw/zinc/25/76/48/384257648.db2.gz OQBXKGXQODXXMV-NSHDSACASA-N 2 1 247.342 0.508 20 0 BCADMP C[C@@H](C(=O)NCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237515753 384257653 /nfs/dbraw/zinc/25/76/53/384257653.db2.gz OQBXKGXQODXXMV-NSHDSACASA-N 2 1 247.342 0.508 20 0 BCADMP C[C@H]1CN(CC[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000564986618 384304991 /nfs/dbraw/zinc/30/49/91/384304991.db2.gz AKVOKEAXAJQPCE-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000168752862 384309825 /nfs/dbraw/zinc/30/98/25/384309825.db2.gz AJAIETYPBASZIS-VXGBXAGGSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000228619726 384289527 /nfs/dbraw/zinc/28/95/27/384289527.db2.gz MPNKOCCDGXTYSA-BJDJZHNGSA-N 2 1 239.363 0.665 20 0 BCADMP C[C@H](C[NH2+]Cc1ccnn1C)C[NH+](C)C ZINC000291660635 384298740 /nfs/dbraw/zinc/29/87/40/384298740.db2.gz FAOFSOJXRTXBLL-SNVBAGLBSA-N 2 1 210.325 0.707 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000083833932 384336378 /nfs/dbraw/zinc/33/63/78/384336378.db2.gz UPDBUKBQHGEESM-VIFPVBQESA-N 2 1 211.309 0.078 20 0 BCADMP C[C@H](NCc1cncn1C)C(=O)N1CCCC1 ZINC000134588414 384370507 /nfs/dbraw/zinc/37/05/07/384370507.db2.gz GXCHZLGZYJRYBS-JTQLQIEISA-N 2 1 236.319 0.521 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175306833 384422842 /nfs/dbraw/zinc/42/28/42/384422842.db2.gz PJBXWIRHSWNLOZ-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249078925 384481132 /nfs/dbraw/zinc/48/11/32/384481132.db2.gz RIGSWVNLZOPRGP-RHYQMDGZSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000249133984 384497571 /nfs/dbraw/zinc/49/75/71/384497571.db2.gz YKMNVTKAWBMLKZ-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000356845845 384503777 /nfs/dbraw/zinc/50/37/77/384503777.db2.gz JAQPXBKHQBURAP-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000356845845 384503785 /nfs/dbraw/zinc/50/37/85/384503785.db2.gz JAQPXBKHQBURAP-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000356845845 384503788 /nfs/dbraw/zinc/50/37/88/384503788.db2.gz JAQPXBKHQBURAP-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000356845845 384503793 /nfs/dbraw/zinc/50/37/93/384503793.db2.gz JAQPXBKHQBURAP-WOPDTQHZSA-N 2 1 239.363 0.632 20 0 BCADMP CC(C)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482594 384504487 /nfs/dbraw/zinc/50/44/87/384504487.db2.gz KAPNGEUVKSTQNH-LBPRGKRZSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251642700 384489415 /nfs/dbraw/zinc/48/94/15/384489415.db2.gz SEPUZIDVGRGBDW-DCAQKATOSA-N 2 1 225.336 0.467 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343494 384533702 /nfs/dbraw/zinc/53/37/02/384533702.db2.gz WVNGFJPWJUQAJQ-AXFHLTTASA-N 2 1 227.352 0.428 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343494 384533707 /nfs/dbraw/zinc/53/37/07/384533707.db2.gz WVNGFJPWJUQAJQ-AXFHLTTASA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236649878 384541885 /nfs/dbraw/zinc/54/18/85/384541885.db2.gz FGCQMWJJAUSJAV-GFCCVEGCSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000647522916 384548387 /nfs/dbraw/zinc/54/83/87/384548387.db2.gz WLRKTRDABJKIEZ-NWDGAFQWSA-N 2 1 230.352 0.194 20 0 BCADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000643057895 384562492 /nfs/dbraw/zinc/56/24/92/384562492.db2.gz XDDMMYADGTUWMX-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC000643077507 384603588 /nfs/dbraw/zinc/60/35/88/384603588.db2.gz KUKSTWUAVQSLLC-GYSYKLTISA-N 2 1 249.358 0.861 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079578 384620155 /nfs/dbraw/zinc/62/01/55/384620155.db2.gz IQTXGGXZOXQELM-WCQYABFASA-N 2 1 249.358 0.802 20 0 BCADMP [NH3+]Cc1nc(C(=O)NCC[NH2+]C2CC2)cs1 ZINC000178796398 384591340 /nfs/dbraw/zinc/59/13/40/384591340.db2.gz CRBVOSMNGSSYQG-UHFFFAOYSA-N 2 1 240.332 0.084 20 0 BCADMP C[C@H]1OCC[N@@H+](CCn2ccnc2)[C@H]1C ZINC000162281434 384595977 /nfs/dbraw/zinc/59/59/77/384595977.db2.gz SPIDKFMSBCAZPH-WDEREUQCSA-N 2 1 209.293 0.992 20 0 BCADMP C[C@H]1OCCN(CCn2ccnc2)[C@H]1C ZINC000162281434 384595982 /nfs/dbraw/zinc/59/59/82/384595982.db2.gz SPIDKFMSBCAZPH-WDEREUQCSA-N 2 1 209.293 0.992 20 0 BCADMP CC[C@@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905316 384596267 /nfs/dbraw/zinc/59/62/67/384596267.db2.gz QMQYPWQLFJWBCI-TUAOUCFPSA-N 2 1 212.337 0.953 20 0 BCADMP c1ncn([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000647538318 384666714 /nfs/dbraw/zinc/66/67/14/384666714.db2.gz MXBRSVYATVUGGC-LBPRGKRZSA-N 2 1 235.335 0.525 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647544944 384723738 /nfs/dbraw/zinc/72/37/38/384723738.db2.gz CORVWABYUJZAAX-NEPJUHHUSA-N 3 1 241.379 0.552 20 0 BCADMP CC[N@@H+](CCCO)CC1CC[NH2+]CC1 ZINC000086703162 384677769 /nfs/dbraw/zinc/67/77/69/384677769.db2.gz AHFVZFRVNKYXAD-UHFFFAOYSA-N 2 1 200.326 0.690 20 0 BCADMP CCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000086703349 384679359 /nfs/dbraw/zinc/67/93/59/384679359.db2.gz SKTVEPSJBWSGNN-UHFFFAOYSA-N 2 1 200.326 0.690 20 0 BCADMP NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564832 384681749 /nfs/dbraw/zinc/68/17/49/384681749.db2.gz VLPOWHDFERRLOT-UWVGGRQHSA-N 2 1 211.309 0.078 20 0 BCADMP NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049564832 384681761 /nfs/dbraw/zinc/68/17/61/384681761.db2.gz VLPOWHDFERRLOT-UWVGGRQHSA-N 2 1 211.309 0.078 20 0 BCADMP C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000101601148 384682357 /nfs/dbraw/zinc/68/23/57/384682357.db2.gz IOZAKVVUHSCGGL-ZRUFSTJUSA-N 2 1 200.326 0.686 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000449606306 384698457 /nfs/dbraw/zinc/69/84/57/384698457.db2.gz YHTIIGJIMANKBC-VXGBXAGGSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000449606306 384698460 /nfs/dbraw/zinc/69/84/60/384698460.db2.gz YHTIIGJIMANKBC-VXGBXAGGSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086932090 384721246 /nfs/dbraw/zinc/72/12/46/384721246.db2.gz NAUBAUIABXHOLK-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037455 384780926 /nfs/dbraw/zinc/78/09/26/384780926.db2.gz IBDJMHLHEWONKD-WDEREUQCSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000309942839 384734069 /nfs/dbraw/zinc/73/40/69/384734069.db2.gz CGIPLLQXIYUTAJ-UHFFFAOYSA-N 2 1 223.364 0.932 20 0 BCADMP C[NH+]1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000309942839 384734076 /nfs/dbraw/zinc/73/40/76/384734076.db2.gz CGIPLLQXIYUTAJ-UHFFFAOYSA-N 3 1 223.364 0.932 20 0 BCADMP C[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000309942839 384734084 /nfs/dbraw/zinc/73/40/84/384734084.db2.gz CGIPLLQXIYUTAJ-UHFFFAOYSA-N 3 1 223.364 0.932 20 0 BCADMP CC(C)(N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546688 384734544 /nfs/dbraw/zinc/73/45/44/384734544.db2.gz VWSUORALJTVHJC-GMTAPVOTSA-N 2 1 211.353 0.701 20 0 BCADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](C)CC1)[C@@H](C)[NH3+] ZINC000335495752 384745805 /nfs/dbraw/zinc/74/58/05/384745805.db2.gz LPASZWRVVVUOIF-NEPJUHHUSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548079 384749601 /nfs/dbraw/zinc/74/96/01/384749601.db2.gz USRXDWRQKSGOIO-WHOHXGKFSA-N 3 1 211.353 0.701 20 0 BCADMP C1[C@@H](N[C@@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547873 384750195 /nfs/dbraw/zinc/75/01/95/384750195.db2.gz JURPRBZPELXCIE-GHMZBOCLSA-N 2 1 209.337 0.470 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H](CO)[C@@H]2CCCOC2)C1 ZINC000647551717 384755201 /nfs/dbraw/zinc/75/52/01/384755201.db2.gz FIUPMURVXOUUJL-LOWDOPEQSA-N 2 1 242.363 0.362 20 0 BCADMP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nn1C ZINC000647552295 384758451 /nfs/dbraw/zinc/75/84/51/384758451.db2.gz PMMPTVSWNOQJDV-IUCAKERBSA-N 2 1 210.325 0.944 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000335658176 384817219 /nfs/dbraw/zinc/81/72/19/384817219.db2.gz XJYZVMGMOJYDJV-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000054133254 384822402 /nfs/dbraw/zinc/82/24/02/384822402.db2.gz XWWAGQDIZFJTRI-CQSZACIVSA-N 2 1 249.358 0.928 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000054110867 384822779 /nfs/dbraw/zinc/82/27/79/384822779.db2.gz NMLQAYUYIIKJMW-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP [NH3+][C@@H](C(=O)N1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000335061031 384787562 /nfs/dbraw/zinc/78/75/62/384787562.db2.gz LFIFUMYHFZRNKW-GFCCVEGCSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367926387 384790872 /nfs/dbraw/zinc/79/08/72/384790872.db2.gz FUYQQQUAIOQAGA-TUAOUCFPSA-N 2 1 212.337 0.497 20 0 BCADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367926387 384790882 /nfs/dbraw/zinc/79/08/82/384790882.db2.gz FUYQQQUAIOQAGA-TUAOUCFPSA-N 2 1 212.337 0.497 20 0 BCADMP C[C@H]([NH3+])CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314112620 384804055 /nfs/dbraw/zinc/80/40/55/384804055.db2.gz GAWLZNUYTDYHLR-SDDRHHMPSA-N 2 1 229.368 0.375 20 0 BCADMP C[C@H]([NH3+])CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314112620 384804061 /nfs/dbraw/zinc/80/40/61/384804061.db2.gz GAWLZNUYTDYHLR-SDDRHHMPSA-N 2 1 229.368 0.375 20 0 BCADMP CN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000335655148 384809618 /nfs/dbraw/zinc/80/96/18/384809618.db2.gz ADJQBHDWCIPOPE-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000646903795 384883272 /nfs/dbraw/zinc/88/32/72/384883272.db2.gz WFFJXLXNZWXLTK-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844820 /nfs/dbraw/zinc/84/48/20/384844820.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844826 /nfs/dbraw/zinc/84/48/26/384844826.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844832 /nfs/dbraw/zinc/84/48/32/384844832.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844838 /nfs/dbraw/zinc/84/48/38/384844838.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 2 1 244.379 0.534 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849575 /nfs/dbraw/zinc/84/95/75/384849575.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849585 /nfs/dbraw/zinc/84/95/85/384849585.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 1 242.363 0.146 20 0 BCADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849590 /nfs/dbraw/zinc/84/95/90/384849590.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548010 384951153 /nfs/dbraw/zinc/95/11/53/384951153.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CN[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000644548010 384951157 /nfs/dbraw/zinc/95/11/57/384951157.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](C[C@@H](O)CN[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000644548010 384951161 /nfs/dbraw/zinc/95/11/61/384951161.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 1 241.379 0.125 20 0 BCADMP CC(C)CCC[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000258936569 384951758 /nfs/dbraw/zinc/95/17/58/384951758.db2.gz PEEAMTGUZJNCSE-GFCCVEGCSA-N 2 1 213.369 0.916 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)C(C)C ZINC000101952308 384900516 /nfs/dbraw/zinc/90/05/16/384900516.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 2 1 229.368 0.783 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC000101952308 384900520 /nfs/dbraw/zinc/90/05/20/384900520.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 2 1 229.368 0.783 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000101952308 384900521 /nfs/dbraw/zinc/90/05/21/384900521.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000156599625 384904983 /nfs/dbraw/zinc/90/49/83/384904983.db2.gz KKFZBKHDHSBDCG-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000257362114 384923519 /nfs/dbraw/zinc/92/35/19/384923519.db2.gz AEXFFJPCAWSWDI-LNFKQOIKSA-N 2 1 223.320 0.077 20 0 BCADMP CC(C)[C@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257773220 384928196 /nfs/dbraw/zinc/92/81/96/384928196.db2.gz DSKSEXCKEKXRMT-CHWSQXEVSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000257773220 384928200 /nfs/dbraw/zinc/92/82/00/384928200.db2.gz DSKSEXCKEKXRMT-CHWSQXEVSA-N 2 1 225.380 0.916 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O)C1CC1 ZINC000310290929 384944935 /nfs/dbraw/zinc/94/49/35/384944935.db2.gz ROEBDYVKGRRPFH-NSHDSACASA-N 2 1 244.379 0.581 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O)C1CC1 ZINC000310290929 384944944 /nfs/dbraw/zinc/94/49/44/384944944.db2.gz ROEBDYVKGRRPFH-NSHDSACASA-N 2 1 244.379 0.581 20 0 BCADMP C[C@@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000644547409 384946297 /nfs/dbraw/zinc/94/62/97/384946297.db2.gz XDKLLSMNZSOUCV-GFCCVEGCSA-N 2 1 242.363 0.602 20 0 BCADMP Cc1cc(CNC[C@@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000644565547 384973925 /nfs/dbraw/zinc/97/39/25/384973925.db2.gz ZYHGVGLZNKBYQH-GFCCVEGCSA-N 2 1 238.335 0.263 20 0 BCADMP Cc1cc(CNC[C@@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000644565547 384973931 /nfs/dbraw/zinc/97/39/31/384973931.db2.gz ZYHGVGLZNKBYQH-GFCCVEGCSA-N 2 1 238.335 0.263 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(N)=O ZINC000129334143 384991603 /nfs/dbraw/zinc/99/16/03/384991603.db2.gz SMOVZHHCABVCGK-MRVPVSSYSA-N 2 1 210.281 0.045 20 0 BCADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129385314 384999018 /nfs/dbraw/zinc/99/90/18/384999018.db2.gz VBTFCZHDCHJSOB-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000226398694 385008886 /nfs/dbraw/zinc/00/88/86/385008886.db2.gz NXFLQGNHFNVOAH-PWSUYJOCSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCCCC1CCOCC1)C[C@@H](O)C[NH3+] ZINC000310364764 385010636 /nfs/dbraw/zinc/01/06/36/385010636.db2.gz VRDODSGQJRAACX-ZDUSSCGKSA-N 2 1 244.379 0.835 20 0 BCADMP CO[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373911 385013137 /nfs/dbraw/zinc/01/31/37/385013137.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1CCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000310373911 385013143 /nfs/dbraw/zinc/01/31/43/385013143.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000310373911 385013151 /nfs/dbraw/zinc/01/31/51/385013151.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 1 242.363 0.552 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484945 385054648 /nfs/dbraw/zinc/05/46/48/385054648.db2.gz IIDFUFANGWLBQH-CMPLNLGQSA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+](CCOc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000310472715 385084502 /nfs/dbraw/zinc/08/45/02/385084502.db2.gz JAZZSXSLAIDUFD-JTQLQIEISA-N 2 1 242.294 0.456 20 0 BCADMP C[N@@H+](CCOc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000310472715 385084507 /nfs/dbraw/zinc/08/45/07/385084507.db2.gz JAZZSXSLAIDUFD-JTQLQIEISA-N 2 1 242.294 0.456 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646930741 385074808 /nfs/dbraw/zinc/07/48/08/385074808.db2.gz MPNUEIZVUMPPKE-RYUDHWBXSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646930741 385074814 /nfs/dbraw/zinc/07/48/14/385074814.db2.gz MPNUEIZVUMPPKE-RYUDHWBXSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646930741 385074823 /nfs/dbraw/zinc/07/48/23/385074823.db2.gz MPNUEIZVUMPPKE-RYUDHWBXSA-N 2 1 239.363 0.489 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646931295 385074934 /nfs/dbraw/zinc/07/49/34/385074934.db2.gz ZXTORLXLPOOHKL-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646931295 385074938 /nfs/dbraw/zinc/07/49/38/385074938.db2.gz ZXTORLXLPOOHKL-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646931295 385074945 /nfs/dbraw/zinc/07/49/45/385074945.db2.gz ZXTORLXLPOOHKL-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800934 385075687 /nfs/dbraw/zinc/07/56/87/385075687.db2.gz ACIOGNVRLVMBGF-XHNCKOQMSA-N 2 1 213.325 0.179 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C1(CO)CCCC1)C1CC1 ZINC000310460207 385078513 /nfs/dbraw/zinc/07/85/13/385078513.db2.gz ARAYOTFQTUQAKI-LBPRGKRZSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(CO)CCCC1)C1CC1 ZINC000310460207 385078520 /nfs/dbraw/zinc/07/85/20/385078520.db2.gz ARAYOTFQTUQAKI-LBPRGKRZSA-N 2 1 242.363 0.336 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619185 385027059 /nfs/dbraw/zinc/02/70/59/385027059.db2.gz WTEWEVHOTQBGRR-CMPLNLGQSA-N 2 1 212.337 0.997 20 0 BCADMP Cc1ccc(NCCCNC(=O)[C@@H](C)[NH3+])[nH+]c1 ZINC000262715720 385040928 /nfs/dbraw/zinc/04/09/28/385040928.db2.gz VFOOWQGVZMVIHK-SNVBAGLBSA-N 2 1 236.319 0.655 20 0 BCADMP CC[C@@H](O)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000644632226 385045494 /nfs/dbraw/zinc/04/54/94/385045494.db2.gz DBOBDKKDWXQMTN-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000157211418 385114179 /nfs/dbraw/zinc/11/41/79/385114179.db2.gz SZHOSNJOPBWCLC-UTUOFQBUSA-N 2 1 237.347 0.481 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987059 385114251 /nfs/dbraw/zinc/11/42/51/385114251.db2.gz DSUUJPJRDGZBCP-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1[NH3+] ZINC000647009791 385135039 /nfs/dbraw/zinc/13/50/39/385135039.db2.gz IYRRTQRTTOUAAZ-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000345842222 385135406 /nfs/dbraw/zinc/13/54/06/385135406.db2.gz SXBSNNQHIGPPJB-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000345842222 385135413 /nfs/dbraw/zinc/13/54/13/385135413.db2.gz SXBSNNQHIGPPJB-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000345842222 385135419 /nfs/dbraw/zinc/13/54/19/385135419.db2.gz SXBSNNQHIGPPJB-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000345842222 385135421 /nfs/dbraw/zinc/13/54/21/385135421.db2.gz SXBSNNQHIGPPJB-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647001364 385137721 /nfs/dbraw/zinc/13/77/21/385137721.db2.gz ACTGEQGJINVTAA-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068497 385085869 /nfs/dbraw/zinc/08/58/69/385085869.db2.gz VBZZLXCUWRLRQA-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068497 385085879 /nfs/dbraw/zinc/08/58/79/385085879.db2.gz VBZZLXCUWRLRQA-SDDRHHMPSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054857 385192542 /nfs/dbraw/zinc/19/25/42/385192542.db2.gz ARCHLUQGBIUAMX-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP CC1(C)C[N@@H+](CCCn2ccnc2)C[C@@H]1O ZINC000279865785 385218752 /nfs/dbraw/zinc/21/87/52/385218752.db2.gz SWQZSBJUGXEMMH-NSHDSACASA-N 2 1 223.320 0.976 20 0 BCADMP CC[N@@H+](CCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000308856308 385219543 /nfs/dbraw/zinc/21/95/43/385219543.db2.gz PDWHBOIJAZJQFJ-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726694 385225245 /nfs/dbraw/zinc/22/52/45/385225245.db2.gz RYDNDFTZRBMZMT-QMMMGPOBSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](C)C ZINC000252716536 385227825 /nfs/dbraw/zinc/22/78/25/385227825.db2.gz YSCZKPPXZQUTQB-NWDGAFQWSA-N 2 1 213.369 0.868 20 0 BCADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000333138459 385240199 /nfs/dbraw/zinc/24/01/99/385240199.db2.gz CRHFCXFVPZVQMZ-VHSXEESVSA-N 2 1 240.351 0.130 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000308894947 385248346 /nfs/dbraw/zinc/24/83/46/385248346.db2.gz IQPVCOGPOGLNBI-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000308894947 385248352 /nfs/dbraw/zinc/24/83/52/385248352.db2.gz IQPVCOGPOGLNBI-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH3+] ZINC000237031829 385251849 /nfs/dbraw/zinc/25/18/49/385251849.db2.gz SHSFJHMIJPQDPP-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000308965155 385316433 /nfs/dbraw/zinc/31/64/33/385316433.db2.gz UYKFYRWOCVEBEN-WRWGMCAJSA-N 2 1 212.337 0.830 20 0 BCADMP C[N@H+]1C[C@H]2[C@@H](CCN2CCn2ccnc2)C1 ZINC000644732154 385276692 /nfs/dbraw/zinc/27/66/92/385276692.db2.gz HKAXVWRIXZJULG-RYUDHWBXSA-N 2 1 220.320 0.519 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2CCn2ccnc2)C1 ZINC000644732154 385276700 /nfs/dbraw/zinc/27/67/00/385276700.db2.gz HKAXVWRIXZJULG-RYUDHWBXSA-N 2 1 220.320 0.519 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000164990249 385332323 /nfs/dbraw/zinc/33/23/23/385332323.db2.gz WAYIDDJVMCZYIP-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000259355367 385336684 /nfs/dbraw/zinc/33/66/84/385336684.db2.gz ZAKOHJVXVMVFCN-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867265 385340739 /nfs/dbraw/zinc/34/07/39/385340739.db2.gz AEDKBIUBNWOWIL-XHNCKOQMSA-N 2 1 211.309 0.075 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[NH3+])C1 ZINC000165125310 385352626 /nfs/dbraw/zinc/35/26/26/385352626.db2.gz JDSXNNAFWASOQA-TXEJJXNPSA-N 2 1 241.379 0.819 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)/C=C/C[NH+](C)C)CC[N@@H+]1C ZINC000492344861 385361034 /nfs/dbraw/zinc/36/10/34/385361034.db2.gz WHLKPZLAEMLHSV-JIVBQCDMSA-N 2 1 239.363 0.655 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000309012449 385361374 /nfs/dbraw/zinc/36/13/74/385361374.db2.gz SGZRMGBDFZAQJI-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000309012449 385361376 /nfs/dbraw/zinc/36/13/76/385361376.db2.gz SGZRMGBDFZAQJI-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[NH+](C)[C@@H](C[NH2+]CC1(C)COC1)C1CC1 ZINC000309038186 385376131 /nfs/dbraw/zinc/37/61/31/385376131.db2.gz JLMIHQMNZSBVNK-NSHDSACASA-N 2 1 212.337 0.953 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)Cc1cnc[nH]1 ZINC000193387252 385394872 /nfs/dbraw/zinc/39/48/72/385394872.db2.gz JICXQIHPFGJVIN-UHFFFAOYSA-N 2 1 208.309 0.936 20 0 BCADMP CSC1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000309081090 385400455 /nfs/dbraw/zinc/40/04/55/385400455.db2.gz PRGRSXVYKMTVME-SNVBAGLBSA-N 2 1 230.377 0.538 20 0 BCADMP CSC1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000309081090 385400458 /nfs/dbraw/zinc/40/04/58/385400458.db2.gz PRGRSXVYKMTVME-SNVBAGLBSA-N 2 1 230.377 0.538 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405254947 385411968 /nfs/dbraw/zinc/41/19/68/385411968.db2.gz LRZXVGLWXGPEHA-BDAKNGLRSA-N 2 1 227.352 0.617 20 0 BCADMP CC(C)(C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405254949 385411984 /nfs/dbraw/zinc/41/19/84/385411984.db2.gz LRZXVGLWXGPEHA-IUCAKERBSA-N 2 1 227.352 0.617 20 0 BCADMP CN(Cc1cccnc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289428474 385444059 /nfs/dbraw/zinc/44/40/59/385444059.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 2 1 249.358 0.969 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NC1CC1 ZINC000405263703 385430150 /nfs/dbraw/zinc/43/01/50/385430150.db2.gz QDTDOYSDTUHCNU-SFGNSQDASA-N 2 1 225.336 0.369 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000257647063 385480505 /nfs/dbraw/zinc/48/05/05/385480505.db2.gz ANCFBPJWDBDUSN-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000257676762 385485243 /nfs/dbraw/zinc/48/52/43/385485243.db2.gz HWHUUSVFCGYSSE-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NC(N)=O)C1 ZINC000408062739 385494920 /nfs/dbraw/zinc/49/49/20/385494920.db2.gz ZYXNCLDZRASBTH-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NC(N)=O)C1 ZINC000408062739 385494922 /nfs/dbraw/zinc/49/49/22/385494922.db2.gz ZYXNCLDZRASBTH-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000408062739 385494926 /nfs/dbraw/zinc/49/49/26/385494926.db2.gz ZYXNCLDZRASBTH-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000408062739 385494928 /nfs/dbraw/zinc/49/49/28/385494928.db2.gz ZYXNCLDZRASBTH-QWRGUYRKSA-N 2 1 240.351 0.213 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336268343 385502408 /nfs/dbraw/zinc/50/24/08/385502408.db2.gz XMGSIBNCRHBOED-LBPRGKRZSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC(=O)C2)CC[N@@H+]1C ZINC000157868773 385530297 /nfs/dbraw/zinc/53/02/97/385530297.db2.gz ZDHVRBUWNMELKU-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC(=O)C2)CC[N@H+]1C ZINC000157868773 385530304 /nfs/dbraw/zinc/53/03/04/385530304.db2.gz ZDHVRBUWNMELKU-IJLUTSLNSA-N 2 1 239.363 0.727 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336676654 385603895 /nfs/dbraw/zinc/60/38/95/385603895.db2.gz PXUFASQDLQVTBI-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336676654 385603900 /nfs/dbraw/zinc/60/39/00/385603900.db2.gz PXUFASQDLQVTBI-GHMZBOCLSA-N 2 1 226.320 0.623 20 0 BCADMP C[C@@H](C[NH2+]CC1([NH3+])CCC1)CS(C)(=O)=O ZINC000336733980 385653424 /nfs/dbraw/zinc/65/34/24/385653424.db2.gz GYCIZMCMENHQAN-VIFPVBQESA-N 2 1 234.365 0.138 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C ZINC000336653107 385654870 /nfs/dbraw/zinc/65/48/70/385654870.db2.gz LDCIGUFGRNGQDS-ZNSHCXBVSA-N 2 1 200.326 0.543 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000337484269 385681804 /nfs/dbraw/zinc/68/18/04/385681804.db2.gz YEMVPCFEVCDOMB-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000337484269 385681808 /nfs/dbraw/zinc/68/18/08/385681808.db2.gz YEMVPCFEVCDOMB-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000337484270 385682027 /nfs/dbraw/zinc/68/20/27/385682027.db2.gz YEMVPCFEVCDOMB-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000337484270 385682032 /nfs/dbraw/zinc/68/20/32/385682032.db2.gz YEMVPCFEVCDOMB-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP Cc1nc(N)nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000310958577 385703551 /nfs/dbraw/zinc/70/35/51/385703551.db2.gz NNZMSFKXFVZSJW-GFCCVEGCSA-N 2 1 248.334 0.294 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414859716 385739133 /nfs/dbraw/zinc/73/91/33/385739133.db2.gz NFMRKBGZOSAHTD-UHFFFAOYSA-N 2 1 225.292 0.500 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000282401724 385758197 /nfs/dbraw/zinc/75/81/97/385758197.db2.gz PRVNEAGHKDIKRD-KOLCDFICSA-N 2 1 236.319 0.306 20 0 BCADMP C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000647797098 385760342 /nfs/dbraw/zinc/76/03/42/385760342.db2.gz YVXDZHPFLKTJKS-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336737837 385825194 /nfs/dbraw/zinc/82/51/94/385825194.db2.gz JTVSYOFAFCVCMD-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000647805179 385844372 /nfs/dbraw/zinc/84/43/72/385844372.db2.gz BCHNQEJPSJRCSI-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414867023 385794624 /nfs/dbraw/zinc/79/46/24/385794624.db2.gz NUGOSWHTALOCLQ-IJLUTSLNSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CC[NH2+][C@H](C)C1 ZINC000647842583 385891053 /nfs/dbraw/zinc/89/10/53/385891053.db2.gz XGBYBNJDUCFDLJ-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP CCOCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000647849455 385900758 /nfs/dbraw/zinc/90/07/58/385900758.db2.gz UMNQXJKWDBBYPF-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000647849455 385900761 /nfs/dbraw/zinc/90/07/61/385900761.db2.gz UMNQXJKWDBBYPF-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852825 385904482 /nfs/dbraw/zinc/90/44/82/385904482.db2.gz CNLXTCKGJSZHCF-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852825 385904486 /nfs/dbraw/zinc/90/44/86/385904486.db2.gz CNLXTCKGJSZHCF-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336721351 385908900 /nfs/dbraw/zinc/90/89/00/385908900.db2.gz SOLDCGTVXPAENW-APPZFPTMSA-N 2 1 247.289 0.322 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCn1cccn1 ZINC000122317472 385909425 /nfs/dbraw/zinc/90/94/25/385909425.db2.gz DQHHNKDWTQQFOA-GHMZBOCLSA-N 2 1 208.309 0.552 20 0 BCADMP CCC[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414965144 385911630 /nfs/dbraw/zinc/91/16/30/385911630.db2.gz NDMJNXWKJYOHKX-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000331759731 385917095 /nfs/dbraw/zinc/91/70/95/385917095.db2.gz JWSFPNGCBJQTNN-OPRDCNLKSA-N 2 1 240.351 0.258 20 0 BCADMP CCCNCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414877483 385921003 /nfs/dbraw/zinc/92/10/03/385921003.db2.gz XPNPMZHHKPJGQG-NWDGAFQWSA-N 2 1 213.369 0.964 20 0 BCADMP CCC[NH2+]CCNC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414877483 385921010 /nfs/dbraw/zinc/92/10/10/385921010.db2.gz XPNPMZHHKPJGQG-NWDGAFQWSA-N 2 1 213.369 0.964 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647811305 385861868 /nfs/dbraw/zinc/86/18/68/385861868.db2.gz GAGUHFSRCZKASL-IJLUTSLNSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](COC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414959514 385868567 /nfs/dbraw/zinc/86/85/67/385868567.db2.gz SGZYFNNXYBSNOC-NWDGAFQWSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NCC1=CC[N@@H+](C)CC1 ZINC000335041465 385934161 /nfs/dbraw/zinc/93/41/61/385934161.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]1CCNC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041465 385934168 /nfs/dbraw/zinc/93/41/68/385934168.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 2 1 223.364 0.836 20 0 BCADMP C[C@@H]1CCNC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041465 385934177 /nfs/dbraw/zinc/93/41/77/385934177.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 2 1 223.364 0.836 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878211 385934850 /nfs/dbraw/zinc/93/48/50/385934850.db2.gz ODKMGGWAQPZCMN-SRVKXCTJSA-N 2 1 213.369 0.901 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878211 385934854 /nfs/dbraw/zinc/93/48/54/385934854.db2.gz ODKMGGWAQPZCMN-SRVKXCTJSA-N 3 1 213.369 0.901 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878211 385934856 /nfs/dbraw/zinc/93/48/56/385934856.db2.gz ODKMGGWAQPZCMN-SRVKXCTJSA-N 3 1 213.369 0.901 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414967938 385935596 /nfs/dbraw/zinc/93/55/96/385935596.db2.gz BYHFIRDISIHOGP-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1(C)CC1 ZINC000336749176 385993158 /nfs/dbraw/zinc/99/31/58/385993158.db2.gz FBDZIYMZWQRFFC-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(C)CC1 ZINC000336749176 385993163 /nfs/dbraw/zinc/99/31/63/385993163.db2.gz FBDZIYMZWQRFFC-JQWIXIFHSA-N 2 1 212.337 0.831 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417448956 385953016 /nfs/dbraw/zinc/95/30/16/385953016.db2.gz WZUUAIQXGZDSAV-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP Cn1nnc2cc(C[NH2+]CC3([NH3+])CCC3)ccc21 ZINC000414879817 385958166 /nfs/dbraw/zinc/95/81/66/385958166.db2.gz IXPVQPISZSUGRI-UHFFFAOYSA-N 2 1 245.330 0.939 20 0 BCADMP C1CCC([N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)C2)C1 ZINC000335058162 385958157 /nfs/dbraw/zinc/95/81/57/385958157.db2.gz YPNSKDRDEDDUDI-RYUDHWBXSA-N 2 1 223.364 0.955 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251311507 385963654 /nfs/dbraw/zinc/96/36/54/385963654.db2.gz KKPQCLFVBATCJJ-AAEUAGOBSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865687 385997759 /nfs/dbraw/zinc/99/77/59/385997759.db2.gz QDDJOCIDBKSEFY-AAEUAGOBSA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647865687 385997765 /nfs/dbraw/zinc/99/77/65/385997765.db2.gz QDDJOCIDBKSEFY-AAEUAGOBSA-N 3 1 241.379 0.424 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309272817 385999691 /nfs/dbraw/zinc/99/96/91/385999691.db2.gz LLFPCMKGWZPZTO-NEPJUHHUSA-N 2 1 220.320 0.636 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC000338454821 386007867 /nfs/dbraw/zinc/00/78/67/386007867.db2.gz JCSCEABDYUQRJV-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417460642 386012775 /nfs/dbraw/zinc/01/27/75/386012775.db2.gz KDIMRYFGGRJQQK-GHMZBOCLSA-N 2 1 244.383 0.752 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](CC)C(C)C ZINC000417466105 386041434 /nfs/dbraw/zinc/04/14/34/386041434.db2.gz UCUKMAPQFWBZJP-LLVKDONJSA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414979699 386047685 /nfs/dbraw/zinc/04/76/85/386047685.db2.gz OHWVBWWENAEDRT-SNVBAGLBSA-N 2 1 233.319 0.795 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345311311 386101605 /nfs/dbraw/zinc/10/16/05/386101605.db2.gz DNGLFIPQXVMXJQ-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417481531 386123890 /nfs/dbraw/zinc/12/38/90/386123890.db2.gz HVVRNKQCMIOILI-UHFFFAOYSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414667444 386115577 /nfs/dbraw/zinc/11/55/77/386115577.db2.gz HJNXDOKASDHYMI-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[C@H](CN2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414667444 386115583 /nfs/dbraw/zinc/11/55/83/386115583.db2.gz HJNXDOKASDHYMI-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000340522468 386116017 /nfs/dbraw/zinc/11/60/17/386116017.db2.gz AYMGZCNMQAXUFG-CYBMUJFWSA-N 2 1 249.362 0.908 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054340067 386121410 /nfs/dbraw/zinc/12/14/10/386121410.db2.gz FKQVBFHBTKYWDD-VHSXEESVSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)C1C[NH2+]C1 ZINC000129230579 386065631 /nfs/dbraw/zinc/06/56/31/386065631.db2.gz JLWQTRXZRCXKEE-SECBINFHSA-N 2 1 225.336 0.052 20 0 BCADMP C[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000336753615 386068187 /nfs/dbraw/zinc/06/81/87/386068187.db2.gz FEZLCEWVNNCRTH-UHFFFAOYSA-N 2 1 220.320 0.703 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345311309 386100520 /nfs/dbraw/zinc/10/05/20/386100520.db2.gz DNGLFIPQXVMXJQ-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673125 386145118 /nfs/dbraw/zinc/14/51/18/386145118.db2.gz QHLRRBONSZGRNA-NXEZZACHSA-N 2 1 213.325 0.167 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673125 386145122 /nfs/dbraw/zinc/14/51/22/386145122.db2.gz QHLRRBONSZGRNA-NXEZZACHSA-N 2 1 213.325 0.167 20 0 BCADMP CC[N@@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000130257884 386148104 /nfs/dbraw/zinc/14/81/04/386148104.db2.gz ATOKSYZHHCIJCX-UHFFFAOYSA-N 2 1 236.319 0.222 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@H](C)[NH+](C)C)C1CC1 ZINC000343177143 386157104 /nfs/dbraw/zinc/15/71/04/386157104.db2.gz HZGJHCJARJQYRU-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677805 386157856 /nfs/dbraw/zinc/15/78/56/386157856.db2.gz JTFVWQXOFBKMNZ-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055131824 386158884 /nfs/dbraw/zinc/15/88/84/386158884.db2.gz XQFSPHINTJASGN-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681596 386163817 /nfs/dbraw/zinc/16/38/17/386163817.db2.gz PMYFCGIKIUYOHZ-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@]1(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000414993203 386163842 /nfs/dbraw/zinc/16/38/42/386163842.db2.gz CGJQVYHPTYOMMR-GHMZBOCLSA-N 3 1 247.333 0.820 20 0 BCADMP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681388 386164428 /nfs/dbraw/zinc/16/44/28/386164428.db2.gz VYNXLNRPGXQXIS-GFCCVEGCSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681598 386164627 /nfs/dbraw/zinc/16/46/27/386164627.db2.gz PMYFCGIKIUYOHZ-WOPDTQHZSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CCO1 ZINC000346145106 386169344 /nfs/dbraw/zinc/16/93/44/386169344.db2.gz UPSWJRVPZKDMBZ-AVGNSLFASA-N 2 1 244.379 0.702 20 0 BCADMP CC[C@H]([NH3+])c1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000310315112 386172346 /nfs/dbraw/zinc/17/23/46/386172346.db2.gz XIFFNPRRHJPJGR-ZJUUUORDSA-N 2 1 241.339 0.001 20 0 BCADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393458186 386129143 /nfs/dbraw/zinc/12/91/43/386129143.db2.gz FRKAQTZRFUGHEK-NNYUYHANSA-N 2 1 210.321 0.726 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC000338764510 386132151 /nfs/dbraw/zinc/13/21/51/386132151.db2.gz AVQIXNUNYCPYKS-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000338764510 386132153 /nfs/dbraw/zinc/13/21/53/386132153.db2.gz AVQIXNUNYCPYKS-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC000338764510 386132154 /nfs/dbraw/zinc/13/21/54/386132154.db2.gz AVQIXNUNYCPYKS-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000414669913 386134568 /nfs/dbraw/zinc/13/45/68/386134568.db2.gz CFAMYIMCZJVKNB-TUAOUCFPSA-N 2 1 241.379 0.946 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000417490640 386142093 /nfs/dbraw/zinc/14/20/93/386142093.db2.gz RWGYOHMQIMPTLD-SNVBAGLBSA-N 2 1 242.367 0.365 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673072 386144053 /nfs/dbraw/zinc/14/40/53/386144053.db2.gz BNJDDEFOPREFMX-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@H+](CC(=O)NC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700660 386208995 /nfs/dbraw/zinc/20/89/95/386208995.db2.gz ZQAYSWPENXAVQV-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP COC1CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000347059486 386210357 /nfs/dbraw/zinc/21/03/57/386210357.db2.gz ZWDIOMHNNAESJO-UHFFFAOYSA-N 2 1 242.363 0.600 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000414705774 386216261 /nfs/dbraw/zinc/21/62/61/386216261.db2.gz XKGXQOIGJDFYGZ-SFYZADRCSA-N 2 1 226.242 0.723 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000414705774 386216263 /nfs/dbraw/zinc/21/62/63/386216263.db2.gz XKGXQOIGJDFYGZ-SFYZADRCSA-N 2 1 226.242 0.723 20 0 BCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000132000329 386216680 /nfs/dbraw/zinc/21/66/80/386216680.db2.gz GCQDSFFLOSRQSU-VHSXEESVSA-N 2 1 245.392 0.481 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882200 386220308 /nfs/dbraw/zinc/22/03/08/386220308.db2.gz VLBVBYJFVDNYPF-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000647882200 386220315 /nfs/dbraw/zinc/22/03/15/386220315.db2.gz VLBVBYJFVDNYPF-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP CN1CCC([N@@H+](CCO)Cc2cccnc2)CC1 ZINC000264371032 386229007 /nfs/dbraw/zinc/22/90/07/386229007.db2.gz MOQSFMMZONOVGD-UHFFFAOYSA-N 2 1 249.358 0.970 20 0 BCADMP CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215331914 386230214 /nfs/dbraw/zinc/23/02/14/386230214.db2.gz YPUJTFHQTRMJIL-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712677 386230478 /nfs/dbraw/zinc/23/04/78/386230478.db2.gz TUSGINIARYDDGE-QWRGUYRKSA-N 2 1 229.368 0.674 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414712677 386230482 /nfs/dbraw/zinc/23/04/82/386230482.db2.gz TUSGINIARYDDGE-QWRGUYRKSA-N 2 1 229.368 0.674 20 0 BCADMP CCC[C@@H]1CN(CCC[NH3+])CC[N@H+]1CCOC ZINC000414717020 386241208 /nfs/dbraw/zinc/24/12/08/386241208.db2.gz YXPMNFOLVPGUCL-CYBMUJFWSA-N 2 1 243.395 0.768 20 0 BCADMP COCC[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000647883462 386241771 /nfs/dbraw/zinc/24/17/71/386241771.db2.gz TWDJDJLNOSILBW-UHFFFAOYSA-N 2 1 230.352 0.853 20 0 BCADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347096210 386248167 /nfs/dbraw/zinc/24/81/67/386248167.db2.gz JAFMREPWHGJBFS-JTQLQIEISA-N 2 1 235.335 0.323 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347096210 386248171 /nfs/dbraw/zinc/24/81/71/386248171.db2.gz JAFMREPWHGJBFS-JTQLQIEISA-N 2 1 235.335 0.323 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000132916993 386258046 /nfs/dbraw/zinc/25/80/46/386258046.db2.gz TVIMEBFVRVYYOQ-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336647265 386258193 /nfs/dbraw/zinc/25/81/93/386258193.db2.gz LWBQZYOOKAZLRG-WOPDTQHZSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000132878571 386258551 /nfs/dbraw/zinc/25/85/51/386258551.db2.gz RRQCDQALKSINSZ-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CCCC[N@H+](CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414694720 386193087 /nfs/dbraw/zinc/19/30/87/386193087.db2.gz DQMGTCHPBOYWDU-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196571 /nfs/dbraw/zinc/19/65/71/386196571.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196576 /nfs/dbraw/zinc/19/65/76/386196576.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196581 /nfs/dbraw/zinc/19/65/81/386196581.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196587 /nfs/dbraw/zinc/19/65/87/386196587.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196591 /nfs/dbraw/zinc/19/65/91/386196591.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 1 228.336 0.020 20 0 BCADMP C[C@H](CNC(N)=[NH2+])[N@@H+]1CCc2ccccc2C1 ZINC000263987306 386199111 /nfs/dbraw/zinc/19/91/11/386199111.db2.gz UKZIYENHPQCEEE-SNVBAGLBSA-N 2 1 232.331 0.916 20 0 BCADMP C[C@H](CNC(N)=[NH2+])[N@H+]1CCc2ccccc2C1 ZINC000263987306 386199117 /nfs/dbraw/zinc/19/91/17/386199117.db2.gz UKZIYENHPQCEEE-SNVBAGLBSA-N 2 1 232.331 0.916 20 0 BCADMP [NH3+]C1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000335266646 386305771 /nfs/dbraw/zinc/30/57/71/386305771.db2.gz BWQWFPBVRYCUDQ-MCIGGMRASA-N 2 1 211.353 0.988 20 0 BCADMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC[NH3+] ZINC000414737237 386308044 /nfs/dbraw/zinc/30/80/44/386308044.db2.gz AHSBAZZEPULCAB-AXFHLTTASA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC[NH3+] ZINC000414737237 386308050 /nfs/dbraw/zinc/30/80/50/386308050.db2.gz AHSBAZZEPULCAB-AXFHLTTASA-N 2 1 226.320 0.609 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334509273 386308851 /nfs/dbraw/zinc/30/88/51/386308851.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334509273 386308859 /nfs/dbraw/zinc/30/88/59/386308859.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334509273 386308864 /nfs/dbraw/zinc/30/88/64/386308864.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 2 1 234.347 0.911 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430629540 386312788 /nfs/dbraw/zinc/31/27/88/386312788.db2.gz QKSYYCJKABTMET-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430629540 386312795 /nfs/dbraw/zinc/31/27/95/386312795.db2.gz QKSYYCJKABTMET-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CO[C@H](C[NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000289494741 386317192 /nfs/dbraw/zinc/31/71/92/386317192.db2.gz AIKWWCXWIJRYPC-SECBINFHSA-N 2 1 238.291 0.060 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CO ZINC000414738385 386318143 /nfs/dbraw/zinc/31/81/43/386318143.db2.gz JFOMKQQEJRTHJR-NDBYEHHHSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336671416 386319512 /nfs/dbraw/zinc/31/95/12/386319512.db2.gz KBIOGNCIAWRGCK-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000091996229 386319529 /nfs/dbraw/zinc/31/95/29/386319529.db2.gz BLMXAJHMYQDFCR-PHIMTYICSA-N 2 1 233.315 0.747 20 0 BCADMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000091996229 386319534 /nfs/dbraw/zinc/31/95/34/386319534.db2.gz BLMXAJHMYQDFCR-PHIMTYICSA-N 2 1 233.315 0.747 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000335279043 386349684 /nfs/dbraw/zinc/34/96/84/386349684.db2.gz OSOIDVQKMKJLOR-BDAKNGLRSA-N 2 1 219.279 0.183 20 0 BCADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC000335268898 386351645 /nfs/dbraw/zinc/35/16/45/386351645.db2.gz KABJDAUQBLZFLA-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP CC1(C)CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335268898 386351650 /nfs/dbraw/zinc/35/16/50/386351650.db2.gz KABJDAUQBLZFLA-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989570 386359262 /nfs/dbraw/zinc/35/92/62/386359262.db2.gz GFKUMUWPUBJHRK-QWRGUYRKSA-N 2 1 221.308 0.134 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890062 386359413 /nfs/dbraw/zinc/35/94/13/386359413.db2.gz KOPCVVXEGZJTMV-STQMWFEESA-N 2 1 242.363 0.581 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C(=O)[C@H]2C)CC[NH2+]1 ZINC000414748054 386359851 /nfs/dbraw/zinc/35/98/51/386359851.db2.gz VWANEBGIJONVFE-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH3+])Cc1ccc(F)cc1 ZINC000237142349 386360240 /nfs/dbraw/zinc/36/02/40/386360240.db2.gz BVTTYIUSPMHDCT-UHFFFAOYSA-N 2 1 239.294 0.332 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C(=O)[C@@H]2C)CC[NH2+]1 ZINC000414748051 386360428 /nfs/dbraw/zinc/36/04/28/386360428.db2.gz VWANEBGIJONVFE-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1OC ZINC000336692710 386366438 /nfs/dbraw/zinc/36/64/38/386366438.db2.gz HSDNEVWIHNIUQX-YNEHKIRRSA-N 2 1 242.363 0.816 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1OC ZINC000336692710 386366440 /nfs/dbraw/zinc/36/64/40/386366440.db2.gz HSDNEVWIHNIUQX-YNEHKIRRSA-N 2 1 242.363 0.816 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347371854 386370262 /nfs/dbraw/zinc/37/02/62/386370262.db2.gz QEHSCXBKGPHWLL-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000336774459 386372876 /nfs/dbraw/zinc/37/28/76/386372876.db2.gz ZVINYSRPTNRUGH-LLVKDONJSA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]CCCNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000417556171 386379673 /nfs/dbraw/zinc/37/96/73/386379673.db2.gz ZZSZIEHTRNQJSB-SNVBAGLBSA-N 2 1 242.367 0.378 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414742690 386331210 /nfs/dbraw/zinc/33/12/10/386331210.db2.gz NTZBWGBTFGVJPV-CKYFFXLPSA-N 2 1 240.347 0.916 20 0 BCADMP CC(C)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647989066 386334085 /nfs/dbraw/zinc/33/40/85/386334085.db2.gz DFVHRAKVGXXLFH-NEPJUHHUSA-N 2 1 212.337 0.953 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000647989066 386334090 /nfs/dbraw/zinc/33/40/90/386334090.db2.gz DFVHRAKVGXXLFH-NEPJUHHUSA-N 2 1 212.337 0.953 20 0 BCADMP CC[N@@H+](CCOCCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414743554 386336128 /nfs/dbraw/zinc/33/61/28/386336128.db2.gz HIDLTOBFFYLGOG-OLZOCXBDSA-N 2 1 244.379 0.705 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417607359 386441172 /nfs/dbraw/zinc/44/11/72/386441172.db2.gz GMKMLIBZLRJKAO-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417606399 386441473 /nfs/dbraw/zinc/44/14/73/386441473.db2.gz DVMODRLDDLOFAO-LLVKDONJSA-N 2 1 244.383 0.612 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417611371 386446623 /nfs/dbraw/zinc/44/66/23/386446623.db2.gz PAIJDCZSLDITQD-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992608 386447405 /nfs/dbraw/zinc/44/74/05/386447405.db2.gz RIZUEMNSFVPHKA-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992608 386447414 /nfs/dbraw/zinc/44/74/14/386447414.db2.gz RIZUEMNSFVPHKA-IJLUTSLNSA-N 3 1 211.353 0.513 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+](CCO)CC1CC1)C1CC1 ZINC000336722144 386448407 /nfs/dbraw/zinc/44/84/07/386448407.db2.gz STOZTRIIBCCQPP-CYBMUJFWSA-N 2 1 242.363 0.146 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+](CCO)CC1CC1)C1CC1 ZINC000336722144 386448409 /nfs/dbraw/zinc/44/84/09/386448409.db2.gz STOZTRIIBCCQPP-CYBMUJFWSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](CCO)CC1CC1)C1CC1 ZINC000336722144 386448414 /nfs/dbraw/zinc/44/84/14/386448414.db2.gz STOZTRIIBCCQPP-CYBMUJFWSA-N 2 1 242.363 0.146 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](CCO)CC1CC1)C1CC1 ZINC000336722144 386448418 /nfs/dbraw/zinc/44/84/18/386448418.db2.gz STOZTRIIBCCQPP-CYBMUJFWSA-N 2 1 242.363 0.146 20 0 BCADMP CC[N@@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192354 386449333 /nfs/dbraw/zinc/44/93/33/386449333.db2.gz JRMCUJQMELLODK-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C1CCOCC1 ZINC000414755069 386394666 /nfs/dbraw/zinc/39/46/66/386394666.db2.gz OPTAICIQELKKTR-GFCCVEGCSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C1CCOCC1 ZINC000414755069 386394672 /nfs/dbraw/zinc/39/46/72/386394672.db2.gz OPTAICIQELKKTR-GFCCVEGCSA-N 2 1 244.379 0.833 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347417946 386397115 /nfs/dbraw/zinc/39/71/15/386397115.db2.gz QHNTVHVSNSQIIM-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417612926 386451384 /nfs/dbraw/zinc/45/13/84/386451384.db2.gz RVLNKLHTPLQULG-UHFFFAOYSA-N 2 1 244.383 0.756 20 0 BCADMP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)nn1 ZINC000336700933 386401863 /nfs/dbraw/zinc/40/18/63/386401863.db2.gz HRJXVSFGAPXTHV-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)nn1 ZINC000336700933 386401866 /nfs/dbraw/zinc/40/18/66/386401866.db2.gz HRJXVSFGAPXTHV-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759395 386410522 /nfs/dbraw/zinc/41/05/22/386410522.db2.gz OERQXWCSONKEJI-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)CC[NH2+]1 ZINC000414759393 386411329 /nfs/dbraw/zinc/41/13/29/386411329.db2.gz OERQXWCSONKEJI-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583695 386413629 /nfs/dbraw/zinc/41/36/29/386413629.db2.gz LILPPBQMZNCHQV-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339426405 386427509 /nfs/dbraw/zinc/42/75/09/386427509.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426405 386427512 /nfs/dbraw/zinc/42/75/12/386427512.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426405 386427517 /nfs/dbraw/zinc/42/75/17/386427517.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763439 386427889 /nfs/dbraw/zinc/42/78/89/386427889.db2.gz CMNVPBWNGDWVNS-SYQHCUMBSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763439 386427897 /nfs/dbraw/zinc/42/78/97/386427897.db2.gz CMNVPBWNGDWVNS-SYQHCUMBSA-N 2 1 237.391 0.916 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000417604104 386434284 /nfs/dbraw/zinc/43/42/84/386434284.db2.gz ATHOZHBQLCJDQO-LLVKDONJSA-N 2 1 240.351 0.117 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094648193 386466106 /nfs/dbraw/zinc/46/61/06/386466106.db2.gz UOLXMTUOEDXJKA-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH3+])C1 ZINC000417245899 386466955 /nfs/dbraw/zinc/46/69/55/386466955.db2.gz ZQUZTGMOWWRBKG-LLVKDONJSA-N 2 1 242.367 0.366 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417276327 386468769 /nfs/dbraw/zinc/46/87/69/386468769.db2.gz DOLXLPBYFCKDPS-ZJUUUORDSA-N 2 1 228.340 0.117 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000391591574 386470339 /nfs/dbraw/zinc/47/03/39/386470339.db2.gz FLRRSVHXQFANSW-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH2+]CC1 ZINC000366412915 386470468 /nfs/dbraw/zinc/47/04/68/386470468.db2.gz FWQWRUVPFIOEQC-NWDGAFQWSA-N 2 1 237.347 0.293 20 0 BCADMP C[N@@H+](CCNC(=O)NC(C)(C)C[NH3+])C1CC1 ZINC000417629243 386472476 /nfs/dbraw/zinc/47/24/76/386472476.db2.gz SAPFJLLMLOCIJC-UHFFFAOYSA-N 2 1 228.340 0.117 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417286448 386476013 /nfs/dbraw/zinc/47/60/13/386476013.db2.gz MXKDHLFRMPPUHX-QWRGUYRKSA-N 2 1 242.367 0.235 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323212 386498701 /nfs/dbraw/zinc/49/87/01/386498701.db2.gz GHJVKUICCXTAJF-GHMZBOCLSA-N 2 1 242.367 0.365 20 0 BCADMP C[NH2+]CCSCC[N@@H+]1CCOC[C@H]1C ZINC000519640044 386514282 /nfs/dbraw/zinc/51/42/82/386514282.db2.gz GJQRWSWVWOKDPF-SNVBAGLBSA-N 2 1 218.366 0.660 20 0 BCADMP C[NH2+]CCSCC[N@H+]1CCOC[C@H]1C ZINC000519640044 386514288 /nfs/dbraw/zinc/51/42/88/386514288.db2.gz GJQRWSWVWOKDPF-SNVBAGLBSA-N 2 1 218.366 0.660 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386517990 /nfs/dbraw/zinc/51/79/90/386517990.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386517992 /nfs/dbraw/zinc/51/79/92/386517992.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 2 1 208.309 0.887 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417143372 386454050 /nfs/dbraw/zinc/45/40/50/386454050.db2.gz UJDXYTHGUNMPPW-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP [NH3+]CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417141606 386454081 /nfs/dbraw/zinc/45/40/81/386454081.db2.gz RMTDBRICGHLAMP-QWRGUYRKSA-N 2 1 240.351 0.261 20 0 BCADMP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417143371 386455048 /nfs/dbraw/zinc/45/50/48/386455048.db2.gz UJDXYTHGUNMPPW-GHMZBOCLSA-N 2 1 240.351 0.132 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216037 386458514 /nfs/dbraw/zinc/45/85/14/386458514.db2.gz HRXVYEMUBSZCHD-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000399222748 386460499 /nfs/dbraw/zinc/46/04/99/386460499.db2.gz WNSLAGJOLIZJRM-VIFPVBQESA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000417625481 386462382 /nfs/dbraw/zinc/46/23/82/386462382.db2.gz MKONLCXFLUWLNA-JTQLQIEISA-N 2 1 240.351 0.084 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977843 386576912 /nfs/dbraw/zinc/57/69/12/386576912.db2.gz IUQAGSBWMFXDOP-WDEREUQCSA-N 2 1 225.336 0.183 20 0 BCADMP CCOc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415053703 386535416 /nfs/dbraw/zinc/53/54/16/386535416.db2.gz KLUVFVLOQIISJI-LBPRGKRZSA-N 2 1 238.331 0.837 20 0 BCADMP CCOc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415053703 386535423 /nfs/dbraw/zinc/53/54/23/386535423.db2.gz KLUVFVLOQIISJI-LBPRGKRZSA-N 2 1 238.331 0.837 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415056530 386536573 /nfs/dbraw/zinc/53/65/73/386536573.db2.gz QYPBQKUWGPTRCQ-RHYQMDGZSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415056530 386536581 /nfs/dbraw/zinc/53/65/81/386536581.db2.gz QYPBQKUWGPTRCQ-RHYQMDGZSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415056530 386536586 /nfs/dbraw/zinc/53/65/86/386536586.db2.gz QYPBQKUWGPTRCQ-RHYQMDGZSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000262631492 386538593 /nfs/dbraw/zinc/53/85/93/386538593.db2.gz FKNVQCUKBXYISZ-VWYCJHECSA-N 2 1 237.347 0.337 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635497 386538700 /nfs/dbraw/zinc/53/87/00/386538700.db2.gz HFQKJMFNCBEQRD-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)(C)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178314 386541771 /nfs/dbraw/zinc/54/17/71/386541771.db2.gz LKUJTPUVQUSPFM-NSHDSACASA-N 2 1 241.379 0.819 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647973993 386544152 /nfs/dbraw/zinc/54/41/52/386544152.db2.gz QZEJRFRUNBYDLC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647973993 386544156 /nfs/dbraw/zinc/54/41/56/386544156.db2.gz QZEJRFRUNBYDLC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415068846 386550964 /nfs/dbraw/zinc/55/09/64/386550964.db2.gz NRBKAAFHHPFSCQ-AAEUAGOBSA-N 2 1 244.379 0.691 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000417690164 386558497 /nfs/dbraw/zinc/55/84/97/386558497.db2.gz UMKVYFSOOMPBBS-VHSXEESVSA-N 2 1 240.351 0.260 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071720 386561999 /nfs/dbraw/zinc/56/19/99/386561999.db2.gz UJQPGRBXPIJPSR-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP COC(=O)[C@@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415113682 386619412 /nfs/dbraw/zinc/61/94/12/386619412.db2.gz XFCVSWRUDMQOCD-AEJSXWLSSA-N 2 1 214.309 0.526 20 0 BCADMP COCC(C)(C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112971 386619530 /nfs/dbraw/zinc/61/95/30/386619530.db2.gz TYRQNPNKGJUYFV-LLVKDONJSA-N 2 1 230.352 0.709 20 0 BCADMP C[C@H](O)C[N@@H+](C)[C@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183128 386655654 /nfs/dbraw/zinc/65/56/54/386655654.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183128 386655658 /nfs/dbraw/zinc/65/56/58/386655658.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183128 386655666 /nfs/dbraw/zinc/65/56/66/386655666.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415129376 386636180 /nfs/dbraw/zinc/63/61/80/386636180.db2.gz UNTBKIHPARXERB-RYUDHWBXSA-N 3 1 213.369 0.916 20 0 BCADMP C[C@@H](O)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143271 386640728 /nfs/dbraw/zinc/64/07/28/386640728.db2.gz SMZHTHSANMEWOX-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP Cc1nc[nH]c1CC(=O)N1CC[NH+](C)CC1 ZINC000279180822 386643511 /nfs/dbraw/zinc/64/35/11/386643511.db2.gz IFRCLOCYJJRBCF-UHFFFAOYSA-N 2 1 222.292 0.035 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942843 386647641 /nfs/dbraw/zinc/64/76/41/386647641.db2.gz SKWZOSIVWFMXHE-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP COC[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000062911780 386653708 /nfs/dbraw/zinc/65/37/08/386653708.db2.gz SMTMZPJSEROMGV-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP O=C(N1CC[NH+](CC2CC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335496118 386618986 /nfs/dbraw/zinc/61/89/86/386618986.db2.gz LWOYMJQWDRYIBF-OCCSQVGLSA-N 2 1 249.358 0.293 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000335520554 386659277 /nfs/dbraw/zinc/65/92/77/386659277.db2.gz HGNCJYBSJWPIHP-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000335522454 386663846 /nfs/dbraw/zinc/66/38/46/386663846.db2.gz VHJJPNASEMNHHG-GFCCVEGCSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979562 386665175 /nfs/dbraw/zinc/66/51/75/386665175.db2.gz SQJHNFSWDOFUPP-TXEJJXNPSA-N 2 1 211.353 0.527 20 0 BCADMP C[NH2+]CCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979562 386665181 /nfs/dbraw/zinc/66/51/81/386665181.db2.gz SQJHNFSWDOFUPP-TXEJJXNPSA-N 2 1 211.353 0.527 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000357081440 386710660 /nfs/dbraw/zinc/71/06/60/386710660.db2.gz GWHNSGZFPYLPKB-NWDGAFQWSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249252 386692607 /nfs/dbraw/zinc/69/26/07/386692607.db2.gz MUVQWKHGZBZUAE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249252 386692609 /nfs/dbraw/zinc/69/26/09/386692609.db2.gz MUVQWKHGZBZUAE-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H](C(=O)NCCn1cc[nH+]c1C)[NH+](C)C ZINC000268795567 386694683 /nfs/dbraw/zinc/69/46/83/386694683.db2.gz IBBHJRVASGCVKS-NSHDSACASA-N 2 1 238.335 0.648 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC[NH2+]C ZINC000357171350 386732240 /nfs/dbraw/zinc/73/22/40/386732240.db2.gz BAMJTLAQUUZZLG-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000357202426 386736588 /nfs/dbraw/zinc/73/65/88/386736588.db2.gz QKSPVTKWDJXOAB-JTQLQIEISA-N 2 1 215.341 0.429 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000019258788 386739844 /nfs/dbraw/zinc/73/98/44/386739844.db2.gz ZYHIAZLQMAEPML-UHFFFAOYSA-N 2 1 207.277 0.645 20 0 BCADMP NC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529700 386723929 /nfs/dbraw/zinc/72/39/29/386723929.db2.gz VBQRKEBWEQCDFM-GFCCVEGCSA-N 2 1 247.342 0.956 20 0 BCADMP CN(C)c1nccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414930085 386746193 /nfs/dbraw/zinc/74/61/93/386746193.db2.gz SLMWNKXGZVRGFH-QWRGUYRKSA-N 2 1 249.362 0.902 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000340409467 386760043 /nfs/dbraw/zinc/76/00/43/386760043.db2.gz BFEAEYWXEQWSIZ-RYUDHWBXSA-N 2 1 228.336 0.210 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000269271733 386770115 /nfs/dbraw/zinc/77/01/15/386770115.db2.gz TUMYYUGDQRTQDJ-VIFPVBQESA-N 2 1 234.303 0.696 20 0 BCADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000190873572 386742423 /nfs/dbraw/zinc/74/24/23/386742423.db2.gz AXHHHVPRXONZHJ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000190873572 386742428 /nfs/dbraw/zinc/74/24/28/386742428.db2.gz AXHHHVPRXONZHJ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000190873572 386742432 /nfs/dbraw/zinc/74/24/32/386742432.db2.gz AXHHHVPRXONZHJ-AVGNSLFASA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1C ZINC000340415943 386778672 /nfs/dbraw/zinc/77/86/72/386778672.db2.gz YWIUPJCGHNAPEE-FVCCEPFGSA-N 2 1 242.363 0.599 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCCC[NH3+] ZINC000417809314 386786691 /nfs/dbraw/zinc/78/66/91/386786691.db2.gz HCIZVRBSRGQVIP-UHFFFAOYSA-N 2 1 230.356 0.366 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)NCCCC[NH3+])CCC[N@H+]1C ZINC000418001879 386819731 /nfs/dbraw/zinc/81/97/31/386819731.db2.gz LHSVKJZYNUJREQ-MNOVXSKESA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000300011575 386801882 /nfs/dbraw/zinc/80/18/82/386801882.db2.gz PBJHKBRSPOEEHF-DGCLKSJQSA-N 2 1 236.363 0.892 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@H+]1C ZINC000417997358 386807444 /nfs/dbraw/zinc/80/74/44/386807444.db2.gz FTOXZAYBIPPEPS-KOLCDFICSA-N 2 1 240.351 0.082 20 0 BCADMP C[C@H]1[C@@H](NC(=O)N2CC[NH2+]CC2)CCC[N@H+]1C ZINC000417993819 386810598 /nfs/dbraw/zinc/81/05/98/386810598.db2.gz BAKRDTIDCZEWMW-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935405 386813049 /nfs/dbraw/zinc/81/30/49/386813049.db2.gz VOONZCCWOWPUCP-IUCAKERBSA-N 2 1 221.295 0.701 20 0 BCADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000425337681 386837937 /nfs/dbraw/zinc/83/79/37/386837937.db2.gz NJTJJJRSMYPEKA-GMTAPVOTSA-N 2 1 230.377 0.537 20 0 BCADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000425337681 386837942 /nfs/dbraw/zinc/83/79/42/386837942.db2.gz NJTJJJRSMYPEKA-GMTAPVOTSA-N 2 1 230.377 0.537 20 0 BCADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)CO ZINC000336674322 386842311 /nfs/dbraw/zinc/84/23/11/386842311.db2.gz BCUSZCOLPBSNFQ-MRVPVSSYSA-N 2 1 210.268 0.721 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000334836656 386877980 /nfs/dbraw/zinc/87/79/80/386877980.db2.gz HPDIFYSOIYJQLD-HNNXBMFYSA-N 2 1 245.370 0.647 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418010096 386881464 /nfs/dbraw/zinc/88/14/64/386881464.db2.gz VKDUBHXCHAPSGW-OUAUKWLOSA-N 2 1 242.367 0.376 20 0 BCADMP C[NH2+]CCCNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418009989 386885437 /nfs/dbraw/zinc/88/54/37/386885437.db2.gz VDWDIVQXIIPOAZ-QWRGUYRKSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)CC[N@H+]1C ZINC000358049302 386886085 /nfs/dbraw/zinc/88/60/85/386886085.db2.gz QSRITLQOLPTHGK-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000331746174 386890133 /nfs/dbraw/zinc/89/01/33/386890133.db2.gz DBYOWNLCCYCFLU-AEJSXWLSSA-N 2 1 240.351 0.258 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358084529 386890307 /nfs/dbraw/zinc/89/03/07/386890307.db2.gz RRKHONOHMNEOPY-IJLUTSLNSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358084529 386890311 /nfs/dbraw/zinc/89/03/11/386890311.db2.gz RRKHONOHMNEOPY-IJLUTSLNSA-N 2 1 237.351 0.739 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000341521259 386921309 /nfs/dbraw/zinc/92/13/09/386921309.db2.gz XWIQDKFHRDAXJD-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358256383 386921693 /nfs/dbraw/zinc/92/16/93/386921693.db2.gz SNQHRVJXCFDEKL-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358256383 386921698 /nfs/dbraw/zinc/92/16/98/386921698.db2.gz SNQHRVJXCFDEKL-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259724 386922149 /nfs/dbraw/zinc/92/21/49/386922149.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259724 386922151 /nfs/dbraw/zinc/92/21/51/386922151.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 2 1 241.379 0.125 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259724 386922155 /nfs/dbraw/zinc/92/21/55/386922155.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 2 1 241.379 0.125 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000368007793 386927718 /nfs/dbraw/zinc/92/77/18/386927718.db2.gz RDHVALGQWZNWOH-YIZRAAEISA-N 2 1 247.289 0.179 20 0 BCADMP C[C@]1(C[NH2+]CC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000332123076 386964357 /nfs/dbraw/zinc/96/43/57/386964357.db2.gz IAHJBKPQGQHKLD-NSHDSACASA-N 3 1 211.353 0.705 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCC[NH2+]1 ZINC000332222326 386968501 /nfs/dbraw/zinc/96/85/01/386968501.db2.gz JMOGOXICZLBAEU-ADEWGFFLSA-N 2 1 234.347 0.997 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000518990831 386975201 /nfs/dbraw/zinc/97/52/01/386975201.db2.gz SONIKZUUODTDRB-NEPJUHHUSA-N 2 1 230.352 0.315 20 0 BCADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398925 386977510 /nfs/dbraw/zinc/97/75/10/386977510.db2.gz ZIRTUEKBBQXYCQ-CHWSQXEVSA-N 2 1 240.395 0.141 20 0 BCADMP O=C(C[NH2+]CC1CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368559239 386986712 /nfs/dbraw/zinc/98/67/12/386986712.db2.gz ZHZAZAAXJZMVSZ-SECBINFHSA-N 2 1 247.289 0.052 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906114 386988445 /nfs/dbraw/zinc/98/84/45/386988445.db2.gz WTKKQLKHCXIXRH-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000334929848 387004835 /nfs/dbraw/zinc/00/48/35/387004835.db2.gz QVTGMBWGJOIELT-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000334929848 387004848 /nfs/dbraw/zinc/00/48/48/387004848.db2.gz QVTGMBWGJOIELT-LLVKDONJSA-N 2 1 240.351 0.038 20 0 BCADMP CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000334929850 387004907 /nfs/dbraw/zinc/00/49/07/387004907.db2.gz QVTGMBWGJOIELT-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000334929850 387004912 /nfs/dbraw/zinc/00/49/12/387004912.db2.gz QVTGMBWGJOIELT-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000104418493 387005384 /nfs/dbraw/zinc/00/53/84/387005384.db2.gz YWJVTTDCPQVGQL-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000514598971 387006905 /nfs/dbraw/zinc/00/69/05/387006905.db2.gz HJKLRLKVZMTTBS-JTQLQIEISA-N 2 1 237.347 0.468 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000648106104 387030287 /nfs/dbraw/zinc/03/02/87/387030287.db2.gz ALKTVIIHNDQEIJ-FBIMIBRVSA-N 2 1 225.336 0.180 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334953652 387030338 /nfs/dbraw/zinc/03/03/38/387030338.db2.gz SNSRZQIKVRHTDA-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000399005608 387036152 /nfs/dbraw/zinc/03/61/52/387036152.db2.gz XRPSDWDXRPTOKL-LLVKDONJSA-N 2 1 225.336 0.324 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074084 387044115 /nfs/dbraw/zinc/04/41/15/387044115.db2.gz YMFDTEFPNHWBKD-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648107858 387050641 /nfs/dbraw/zinc/05/06/41/387050641.db2.gz WKXBFRBHBWXVRI-IRCOFANPSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@]1(F)CNCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334970791 387054492 /nfs/dbraw/zinc/05/44/92/387054492.db2.gz GIKIIHTWCUTYAM-VXGBXAGGSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000334970791 387054498 /nfs/dbraw/zinc/05/44/98/387054498.db2.gz GIKIIHTWCUTYAM-VXGBXAGGSA-N 2 1 229.343 0.619 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126886539 387057268 /nfs/dbraw/zinc/05/72/68/387057268.db2.gz RUJGRKLRITXOFM-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126886539 387057270 /nfs/dbraw/zinc/05/72/70/387057270.db2.gz RUJGRKLRITXOFM-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603387 387009510 /nfs/dbraw/zinc/00/95/10/387009510.db2.gz HQJUVOBLPZUWBX-NEPJUHHUSA-N 2 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603390 387009587 /nfs/dbraw/zinc/00/95/87/387009587.db2.gz HQJUVOBLPZUWBX-RYUDHWBXSA-N 2 1 211.353 0.657 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)N(C)CC[NH3+])CC1 ZINC000418023636 387019132 /nfs/dbraw/zinc/01/91/32/387019132.db2.gz LWUCHTIGHJBKRE-UHFFFAOYSA-N 2 1 240.351 0.239 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000368927383 387019435 /nfs/dbraw/zinc/01/94/35/387019435.db2.gz RPDNAKYDBKZYPJ-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000368927383 387019437 /nfs/dbraw/zinc/01/94/37/387019437.db2.gz RPDNAKYDBKZYPJ-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000519156724 387020457 /nfs/dbraw/zinc/02/04/57/387020457.db2.gz IDBXLUPFYLVAAR-FOSCPWQOSA-N 3 1 227.352 0.177 20 0 BCADMP CN(CCOCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000519156724 387020463 /nfs/dbraw/zinc/02/04/63/387020463.db2.gz IDBXLUPFYLVAAR-FOSCPWQOSA-N 2 1 227.352 0.177 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648103895 387021444 /nfs/dbraw/zinc/02/14/44/387021444.db2.gz DYRPMRSNVWGSCU-OPRDCNLKSA-N 2 1 213.325 0.038 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000053298721 387023140 /nfs/dbraw/zinc/02/31/40/387023140.db2.gz NQGRPWLXWSRODC-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648105832 387026593 /nfs/dbraw/zinc/02/65/93/387026593.db2.gz KCODWWYNBSLHNJ-VIFPVBQESA-N 2 1 247.289 0.005 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000333339500 387028182 /nfs/dbraw/zinc/02/81/82/387028182.db2.gz XSYRGSXXDUDTIY-WZRBSPASSA-N 2 1 239.363 0.775 20 0 BCADMP COC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359224905 387068891 /nfs/dbraw/zinc/06/88/91/387068891.db2.gz TZLWYMMYTHKKOX-ZDUSSCGKSA-N 2 1 242.363 0.723 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334983079 387070698 /nfs/dbraw/zinc/07/06/98/387070698.db2.gz CYUBTINZYAVQQZ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334983079 387070700 /nfs/dbraw/zinc/07/07/00/387070700.db2.gz CYUBTINZYAVQQZ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000111380600 387076969 /nfs/dbraw/zinc/07/69/69/387076969.db2.gz RALICVUTQVIZGI-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995258 387085616 /nfs/dbraw/zinc/08/56/16/387085616.db2.gz YNWKQWJRBKSSLJ-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995258 387085621 /nfs/dbraw/zinc/08/56/21/387085621.db2.gz YNWKQWJRBKSSLJ-DGCLKSJQSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696033 387088008 /nfs/dbraw/zinc/08/80/08/387088008.db2.gz GBCWWCCMHKRVIB-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000111696033 387088010 /nfs/dbraw/zinc/08/80/10/387088010.db2.gz GBCWWCCMHKRVIB-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@H+]1CCOC[C@H]1C ZINC000359485263 387110787 /nfs/dbraw/zinc/11/07/87/387110787.db2.gz QWXSWMJGSHNHOH-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCOC[C@H]1C ZINC000359485263 387110792 /nfs/dbraw/zinc/11/07/92/387110792.db2.gz QWXSWMJGSHNHOH-GFCCVEGCSA-N 2 1 235.331 0.945 20 0 BCADMP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000127454612 387118552 /nfs/dbraw/zinc/11/85/52/387118552.db2.gz GAKNGDSDSCIIMV-VIFPVBQESA-N 2 1 246.314 0.630 20 0 BCADMP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000127454612 387118554 /nfs/dbraw/zinc/11/85/54/387118554.db2.gz GAKNGDSDSCIIMV-VIFPVBQESA-N 2 1 246.314 0.630 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335029418 387124687 /nfs/dbraw/zinc/12/46/87/387124687.db2.gz KBZJHBRAPXRMTG-VXGBXAGGSA-N 2 1 223.364 0.812 20 0 BCADMP CCC[NH2+]CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423313495 387151694 /nfs/dbraw/zinc/15/16/94/387151694.db2.gz ULYKANSQSRJLDP-NWDGAFQWSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361259 387192848 /nfs/dbraw/zinc/19/28/48/387192848.db2.gz IACGHLWPEFFECB-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361259 387192851 /nfs/dbraw/zinc/19/28/51/387192851.db2.gz IACGHLWPEFFECB-STQMWFEESA-N 3 1 223.364 0.671 20 0 BCADMP COCC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423319647 387162716 /nfs/dbraw/zinc/16/27/16/387162716.db2.gz CQBPAKHDWOSNJG-YPMHNXCESA-N 2 1 241.379 0.295 20 0 BCADMP C[N@@H+](CCO)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206376 387172935 /nfs/dbraw/zinc/17/29/35/387172935.db2.gz YKEZBSCOUDFVQV-CYBMUJFWSA-N 2 1 241.379 0.079 20 0 BCADMP CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371223740 387177425 /nfs/dbraw/zinc/17/74/25/387177425.db2.gz RTBQHFASJFTTJP-WDEREUQCSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371223737 387177523 /nfs/dbraw/zinc/17/75/23/387177523.db2.gz RTBQHFASJFTTJP-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334045 387181898 /nfs/dbraw/zinc/18/18/98/387181898.db2.gz FLRPIYOICYVCBR-BYNQJWBRSA-N 2 1 249.358 0.481 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCO ZINC000371295807 387185911 /nfs/dbraw/zinc/18/59/11/387185911.db2.gz VEHGALUOJVWTFZ-UPJWGTAASA-N 2 1 242.363 0.552 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423337686 387186760 /nfs/dbraw/zinc/18/67/60/387186760.db2.gz YRGZBMZFXPNLJH-SUZMYJTESA-N 2 1 223.364 0.939 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942925 387187507 /nfs/dbraw/zinc/18/75/07/387187507.db2.gz LQBUWMWOHOQPGB-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000571908121 387188892 /nfs/dbraw/zinc/18/88/92/387188892.db2.gz FHKKTKZKPYHQGC-SRVKXCTJSA-N 2 1 209.337 0.421 20 0 BCADMP CCC[N@@H+](CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000571882569 387191515 /nfs/dbraw/zinc/19/15/15/387191515.db2.gz IPRYZEHTLISMKT-UHFFFAOYSA-N 3 1 229.368 0.426 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000643494825 387137694 /nfs/dbraw/zinc/13/76/94/387137694.db2.gz LVVUTJBDGJDVDQ-TUAOUCFPSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355102 387204893 /nfs/dbraw/zinc/20/48/93/387204893.db2.gz OOPDGMDKBPEBGD-LLVKDONJSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000423356500 387207707 /nfs/dbraw/zinc/20/77/07/387207707.db2.gz JZYUGLTXBUFMIG-XQQFMLRXSA-N 2 1 241.379 0.485 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000336381383 387211030 /nfs/dbraw/zinc/21/10/30/387211030.db2.gz ZQDOOYLIQRHXHH-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000336381383 387211034 /nfs/dbraw/zinc/21/10/34/387211034.db2.gz ZQDOOYLIQRHXHH-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000336381383 387211037 /nfs/dbraw/zinc/21/10/37/387211037.db2.gz ZQDOOYLIQRHXHH-GFCCVEGCSA-N 2 1 241.379 0.879 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418200740 387211905 /nfs/dbraw/zinc/21/19/05/387211905.db2.gz QKMXAMRCGRLFLO-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP COCC[N@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362133 387213331 /nfs/dbraw/zinc/21/33/31/387213331.db2.gz MUDNZSQRPFMQQJ-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP COCCN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423362133 387213337 /nfs/dbraw/zinc/21/33/37/387213337.db2.gz MUDNZSQRPFMQQJ-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+](Cc1cccc2cccnc21)C[C@@H](O)C[NH3+] ZINC000336795442 387213966 /nfs/dbraw/zinc/21/39/66/387213966.db2.gz KQNYEZXWDAJLPP-ZDUSSCGKSA-N 2 1 245.326 0.986 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423364994 387214815 /nfs/dbraw/zinc/21/48/15/387214815.db2.gz ZOMXWGOXZVNWKF-MDZLAQPJSA-N 2 1 237.347 0.339 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000352460720 387226149 /nfs/dbraw/zinc/22/61/49/387226149.db2.gz GOJSDUUSHXZRBS-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000352460720 387226157 /nfs/dbraw/zinc/22/61/57/387226157.db2.gz GOJSDUUSHXZRBS-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000352460720 387226161 /nfs/dbraw/zinc/22/61/61/387226161.db2.gz GOJSDUUSHXZRBS-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000360105005 387226688 /nfs/dbraw/zinc/22/66/88/387226688.db2.gz PCXUSTWARSOZEY-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+](C)C ZINC000360134429 387231850 /nfs/dbraw/zinc/23/18/50/387231850.db2.gz GIUUBWWSJPCMIN-LLVKDONJSA-N 2 1 244.383 0.576 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423398858 387234360 /nfs/dbraw/zinc/23/43/60/387234360.db2.gz UIRAZIQCDUGPOT-WYUUTHIRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423398858 387234366 /nfs/dbraw/zinc/23/43/66/387234366.db2.gz UIRAZIQCDUGPOT-WYUUTHIRSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]([NH3+])CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336406210 387235604 /nfs/dbraw/zinc/23/56/04/387235604.db2.gz IZHOACOOYWENFJ-SECBINFHSA-N 2 1 208.309 0.936 20 0 BCADMP CCN(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147852 387242543 /nfs/dbraw/zinc/24/25/43/387242543.db2.gz RNOAMHLDVAQGKX-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@@H]21 ZINC000423420053 387247565 /nfs/dbraw/zinc/24/75/65/387247565.db2.gz AQZUNBCJMHXBHN-KYTCRMMBSA-N 2 1 235.375 0.667 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423349409 387198968 /nfs/dbraw/zinc/19/89/68/387198968.db2.gz WNRUDNSHAMPYHX-BDAKNGLRSA-N 2 1 221.295 0.688 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1C ZINC000648119869 387260118 /nfs/dbraw/zinc/26/01/18/387260118.db2.gz AQXINQKULCJOJV-IJLUTSLNSA-N 2 1 239.363 0.585 20 0 BCADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423382347 387265811 /nfs/dbraw/zinc/26/58/11/387265811.db2.gz OJSIRGXFHRMHIG-UTUOFQBUSA-N 2 1 213.369 0.914 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000645685056 387268699 /nfs/dbraw/zinc/26/86/99/387268699.db2.gz RUSJVBFHOKLBDW-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000645684865 387269248 /nfs/dbraw/zinc/26/92/48/387269248.db2.gz JSOMRTBYEPSAAP-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000336442932 387269966 /nfs/dbraw/zinc/26/99/66/387269966.db2.gz UGXMXLDZBWMIOI-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000336442932 387269970 /nfs/dbraw/zinc/26/99/70/387269970.db2.gz UGXMXLDZBWMIOI-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000336442932 387269974 /nfs/dbraw/zinc/26/99/74/387269974.db2.gz UGXMXLDZBWMIOI-LBPRGKRZSA-N 2 1 237.347 0.459 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000336442931 387271117 /nfs/dbraw/zinc/27/11/17/387271117.db2.gz UGXMXLDZBWMIOI-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000336442931 387271119 /nfs/dbraw/zinc/27/11/19/387271119.db2.gz UGXMXLDZBWMIOI-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000336442931 387271122 /nfs/dbraw/zinc/27/11/22/387271122.db2.gz UGXMXLDZBWMIOI-GFCCVEGCSA-N 2 1 237.347 0.459 20 0 BCADMP O=C1NCC[C@@H]1[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000372105924 387273255 /nfs/dbraw/zinc/27/32/55/387273255.db2.gz SOOHBGSOADGGQE-CYDGBPFRSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000372105924 387273259 /nfs/dbraw/zinc/27/32/59/387273259.db2.gz SOOHBGSOADGGQE-CYDGBPFRSA-N 2 1 249.358 0.291 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423388015 387273287 /nfs/dbraw/zinc/27/32/87/387273287.db2.gz MMKMVPUHOQDARR-UWVGGRQHSA-N 2 1 227.352 0.618 20 0 BCADMP O=C1NCC[C@@H]1[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000372105924 387273263 /nfs/dbraw/zinc/27/32/63/387273263.db2.gz SOOHBGSOADGGQE-CYDGBPFRSA-N 2 1 249.358 0.291 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423439006 387288306 /nfs/dbraw/zinc/28/83/06/387288306.db2.gz SBCSXTVTUWSCIT-UHFFFAOYSA-N 2 1 241.379 0.964 20 0 BCADMP CC[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423441198 387289749 /nfs/dbraw/zinc/28/97/49/387289749.db2.gz AZVSATVIWNAVTD-DCAQKATOSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@@H]1C ZINC000423524179 387354891 /nfs/dbraw/zinc/35/48/91/387354891.db2.gz SQHZNJADHYQLBM-WYUUTHIRSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@H]1C ZINC000423524177 387354926 /nfs/dbraw/zinc/35/49/26/387354926.db2.gz SQHZNJADHYQLBM-KXNHARMFSA-N 2 1 211.353 0.524 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H]1C[C@H]1C ZINC000423530258 387358707 /nfs/dbraw/zinc/35/87/07/387358707.db2.gz YQFJKTHWIQREQO-XQHKEYJVSA-N 2 1 225.380 0.914 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544419 387368518 /nfs/dbraw/zinc/36/85/18/387368518.db2.gz CZZUSDIUWYTGML-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP O=C1OCC[C@@H]2CC[N@H+](CCn3ccnc3)[C@@H]12 ZINC000373449277 387372280 /nfs/dbraw/zinc/37/22/80/387372280.db2.gz UJGSZCCPSDJXNS-WDEREUQCSA-N 2 1 235.287 0.521 20 0 BCADMP O=C1OCC[C@@H]2CC[N@H+](CCn3ccnc3)[C@H]12 ZINC000373449276 387373115 /nfs/dbraw/zinc/37/31/15/387373115.db2.gz UJGSZCCPSDJXNS-QWRGUYRKSA-N 2 1 235.287 0.521 20 0 BCADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC000360953421 387373636 /nfs/dbraw/zinc/37/36/36/387373636.db2.gz AKEDMSACQILMRB-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462779 387321441 /nfs/dbraw/zinc/32/14/41/387321441.db2.gz LVWJYTBXCFHSJA-XQQFMLRXSA-N 2 1 223.364 0.940 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336559308 387382666 /nfs/dbraw/zinc/38/26/66/387382666.db2.gz DRJAFJLYVRGSSG-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000515054271 387326070 /nfs/dbraw/zinc/32/60/70/387326070.db2.gz FGJDAOLIDUMIAY-OLZOCXBDSA-N 2 1 244.379 0.561 20 0 BCADMP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000515054272 387326507 /nfs/dbraw/zinc/32/65/07/387326507.db2.gz FGJDAOLIDUMIAY-STQMWFEESA-N 2 1 244.379 0.561 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000354143477 387337322 /nfs/dbraw/zinc/33/73/22/387337322.db2.gz NKKXYCQSRWJUQD-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+](CCOCCO)CC1 ZINC000372988594 387337531 /nfs/dbraw/zinc/33/75/31/387337531.db2.gz DNAUGKCFGOHGPI-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOCCO)CC1 ZINC000372988594 387337535 /nfs/dbraw/zinc/33/75/35/387337535.db2.gz DNAUGKCFGOHGPI-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373028084 387341867 /nfs/dbraw/zinc/34/18/67/387341867.db2.gz HZKLTHUXYXVSKW-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)(C)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572378711 387351403 /nfs/dbraw/zinc/35/14/03/387351403.db2.gz PERKYIYQUCQUNR-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CCC1CC([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423520953 387352799 /nfs/dbraw/zinc/35/27/99/387352799.db2.gz QNXHEPNLQLSDIG-HTAVTVPLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000515811245 387424983 /nfs/dbraw/zinc/42/49/83/387424983.db2.gz VXANWYTZROJHJL-UMNHJUIQSA-N 2 1 243.326 0.144 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423782706 387425318 /nfs/dbraw/zinc/42/53/18/387425318.db2.gz ZWRQMBKIDACNDZ-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423782706 387425321 /nfs/dbraw/zinc/42/53/21/387425321.db2.gz ZWRQMBKIDACNDZ-NWDGAFQWSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374157922 387428223 /nfs/dbraw/zinc/42/82/23/387428223.db2.gz GPQWTKCHCYRUBS-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000374157922 387428227 /nfs/dbraw/zinc/42/82/27/387428227.db2.gz GPQWTKCHCYRUBS-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP C[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000374157922 387428229 /nfs/dbraw/zinc/42/82/29/387428229.db2.gz GPQWTKCHCYRUBS-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423842128 387434781 /nfs/dbraw/zinc/43/47/81/387434781.db2.gz GMEZCGOUEPJXPD-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423845192 387435193 /nfs/dbraw/zinc/43/51/93/387435193.db2.gz KBFWPIKVJHDQIE-GFCCVEGCSA-N 2 1 241.379 0.770 20 0 BCADMP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423852166 387436364 /nfs/dbraw/zinc/43/63/64/387436364.db2.gz SBTKVUXVJVASHW-SNVBAGLBSA-N 2 1 243.376 0.202 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423852166 387436366 /nfs/dbraw/zinc/43/63/66/387436366.db2.gz SBTKVUXVJVASHW-SNVBAGLBSA-N 2 1 243.376 0.202 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000423852545 387437078 /nfs/dbraw/zinc/43/70/78/387437078.db2.gz SIXVNFMGUQQADI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423855061 387437521 /nfs/dbraw/zinc/43/75/21/387437521.db2.gz WNMONYOKIASBCG-SNVBAGLBSA-N 2 1 227.352 0.666 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423852103 387437869 /nfs/dbraw/zinc/43/78/69/387437869.db2.gz RXTHRDMUBRCMTJ-GXSJLCMTSA-N 2 1 243.326 0.239 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000336616472 387456536 /nfs/dbraw/zinc/45/65/36/387456536.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000336616472 387456538 /nfs/dbraw/zinc/45/65/38/387456538.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000336616472 387456542 /nfs/dbraw/zinc/45/65/42/387456542.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 2 1 237.347 0.316 20 0 BCADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C[NH+](C)C ZINC000515500823 387390448 /nfs/dbraw/zinc/39/04/48/387390448.db2.gz VSWPIBZBJNCUCN-PWSUYJOCSA-N 2 1 241.379 0.641 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423967926 387460225 /nfs/dbraw/zinc/46/02/25/387460225.db2.gz TXIRVTKSPLZCFO-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000648112100 387394566 /nfs/dbraw/zinc/39/45/66/387394566.db2.gz UOJVDJSGVXMKLP-KKOKHZNYSA-N 2 1 239.363 0.441 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423974747 387460657 /nfs/dbraw/zinc/46/06/57/387460657.db2.gz LDFILNOEFPLSRH-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[N@H+]1C ZINC000648123959 387415539 /nfs/dbraw/zinc/41/55/39/387415539.db2.gz MSNCVYZLNSGHKO-QCNOEVLYSA-N 2 1 239.363 0.441 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)Cn1ccnc1 ZINC000572422417 387417184 /nfs/dbraw/zinc/41/71/84/387417184.db2.gz LHYDHEJORUAFEV-UHFFFAOYSA-N 2 1 224.308 0.340 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423771455 387420608 /nfs/dbraw/zinc/42/06/08/387420608.db2.gz INOYVBUXIONBEA-TUAOUCFPSA-N 2 1 241.379 0.768 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000423776974 387423238 /nfs/dbraw/zinc/42/32/38/387423238.db2.gz QXOFSAXHCHZMAC-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474902 387496635 /nfs/dbraw/zinc/49/66/35/387496635.db2.gz MDAMZZNTSZATSU-MROQNXINSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474902 387496638 /nfs/dbraw/zinc/49/66/38/387496638.db2.gz MDAMZZNTSZATSU-MROQNXINSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000516465306 387511453 /nfs/dbraw/zinc/51/14/53/387511453.db2.gz CSBRJYGQNLXFHO-LBPRGKRZSA-N 2 1 243.326 0.146 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355327466 387522031 /nfs/dbraw/zinc/52/20/31/387522031.db2.gz WUJWOIREXRFEFK-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000361724728 387527655 /nfs/dbraw/zinc/52/76/55/387527655.db2.gz APXMZVAPVHSHEK-IJLUTSLNSA-N 2 1 237.347 0.420 20 0 BCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[NH+](C)C ZINC000422016438 387538119 /nfs/dbraw/zinc/53/81/19/387538119.db2.gz GQEVFTVRQLUKMB-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C[NH+](C)C ZINC000422016438 387538124 /nfs/dbraw/zinc/53/81/24/387538124.db2.gz GQEVFTVRQLUKMB-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP CN(CC[NH3+])C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000424000795 387463795 /nfs/dbraw/zinc/46/37/95/387463795.db2.gz GBKFIAXFPHJBIB-LBPRGKRZSA-N 2 1 235.331 0.706 20 0 BCADMP CN(CC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000424000792 387464666 /nfs/dbraw/zinc/46/46/66/387464666.db2.gz GBKFIAXFPHJBIB-GFCCVEGCSA-N 2 1 235.331 0.706 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000114076546 387477374 /nfs/dbraw/zinc/47/73/74/387477374.db2.gz AXBZLDICZJFNOH-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCN(CC)C(=O)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000396746741 387489000 /nfs/dbraw/zinc/48/90/00/387489000.db2.gz ZRAZKPFAJIOPAE-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cnn(C)c1 ZINC000430551003 387628557 /nfs/dbraw/zinc/62/85/57/387628557.db2.gz PIRRQGMIHMUVPK-LBPRGKRZSA-N 2 1 224.352 0.926 20 0 BCADMP C(N[C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000527531327 387601815 /nfs/dbraw/zinc/60/18/15/387601815.db2.gz DWCRGRJSQWVDFH-LBPRGKRZSA-N 2 1 223.364 0.860 20 0 BCADMP CCCC[N@@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422715601 387629068 /nfs/dbraw/zinc/62/90/68/387629068.db2.gz SQGYDTXLWLDOHB-LLVKDONJSA-N 2 1 213.369 0.916 20 0 BCADMP CC[N@@H+](C)CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422709763 387624165 /nfs/dbraw/zinc/62/41/65/387624165.db2.gz DYVZCSNMEMYVIW-CHWSQXEVSA-N 2 1 241.379 0.295 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712694 387626226 /nfs/dbraw/zinc/62/62/26/387626226.db2.gz ONTIPHKYGIMELX-JHJVBQTASA-N 2 1 243.395 0.813 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422712694 387626227 /nfs/dbraw/zinc/62/62/27/387626227.db2.gz ONTIPHKYGIMELX-JHJVBQTASA-N 2 1 243.395 0.813 20 0 BCADMP CN(CC[N@@H+](C)CCCO)C1CC[NH+](C)CC1 ZINC000305698635 387627242 /nfs/dbraw/zinc/62/72/42/387627242.db2.gz VLWRFKOYMVIYGP-UHFFFAOYSA-N 2 1 243.395 0.327 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000399640655 387564093 /nfs/dbraw/zinc/56/40/93/387564093.db2.gz KCBGKNDBRBCNHM-TUAOUCFPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)[NH3+] ZINC000399626344 387564217 /nfs/dbraw/zinc/56/42/17/387564217.db2.gz DREROQHYDLTPDK-PWSUYJOCSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[C@H](C)[NH3+] ZINC000399634303 387564439 /nfs/dbraw/zinc/56/44/39/387564439.db2.gz HNRNNKUILQIKRC-WOPDTQHZSA-N 2 1 241.379 0.768 20 0 BCADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[C@H](C)[NH3+] ZINC000399634303 387564443 /nfs/dbraw/zinc/56/44/43/387564443.db2.gz HNRNNKUILQIKRC-WOPDTQHZSA-N 2 1 241.379 0.768 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399725637 387568168 /nfs/dbraw/zinc/56/81/68/387568168.db2.gz KAEIPPLJHPEDCW-QWRGUYRKSA-N 2 1 229.368 0.674 20 0 BCADMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367392264 387577065 /nfs/dbraw/zinc/57/70/65/387577065.db2.gz NWBYYXSFUMHDAA-DTWKUNHWSA-N 2 1 247.289 0.052 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C1CC[NH2+]CC1 ZINC000430614500 387633369 /nfs/dbraw/zinc/63/33/69/387633369.db2.gz YTXJYSYQHWFGBC-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C1CC[NH2+]CC1 ZINC000430614500 387633375 /nfs/dbraw/zinc/63/33/75/387633375.db2.gz YTXJYSYQHWFGBC-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000430644315 387634865 /nfs/dbraw/zinc/63/48/65/387634865.db2.gz NAEMFFJCVOOUAQ-NSHDSACASA-N 2 1 225.336 0.280 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1ccnc1 ZINC000422728325 387638819 /nfs/dbraw/zinc/63/88/19/387638819.db2.gz FTORYXIBJNHYEB-NWDGAFQWSA-N 2 1 222.336 0.861 20 0 BCADMP Cc1cccc(NCCNC(=O)C2([NH3+])CC2)[nH+]1 ZINC000430723159 387643979 /nfs/dbraw/zinc/64/39/79/387643979.db2.gz OCAQATYVEGUMEC-UHFFFAOYSA-N 2 1 234.303 0.409 20 0 BCADMP Cc1cccc(NCCNC(=O)C[C@@H](C)[NH3+])[nH+]1 ZINC000430725568 387644226 /nfs/dbraw/zinc/64/42/26/387644226.db2.gz XULFTVQCXUCILD-SECBINFHSA-N 2 1 236.319 0.655 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430749855 387646958 /nfs/dbraw/zinc/64/69/58/387646958.db2.gz XQBUVZPRLSIDPC-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC[C@@H](C(=O)NCC[N@@H+](C)CC)[NH+](C)C ZINC000125219890 387647001 /nfs/dbraw/zinc/64/70/01/387647001.db2.gz WYJVBGSQRKVJRS-JTQLQIEISA-N 2 1 215.341 0.395 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000376526323 387647114 /nfs/dbraw/zinc/64/71/14/387647114.db2.gz GVTXWCSFRHGWSS-LBPRGKRZSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@H+]1CCCC[C@H]1C ZINC000430742262 387647616 /nfs/dbraw/zinc/64/76/16/387647616.db2.gz LESPMRXLXYXVSP-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000430795856 387650922 /nfs/dbraw/zinc/65/09/22/387650922.db2.gz IMXCEHWTVWYABR-AXFHLTTASA-N 2 1 227.352 0.665 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000430795658 387651062 /nfs/dbraw/zinc/65/10/62/387651062.db2.gz WCIRAYJDQUIMRG-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH3+])CC[N@H+]1C ZINC000430792115 387652047 /nfs/dbraw/zinc/65/20/47/387652047.db2.gz HCKXFQYXZJCXNL-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP C[NH2+]CC(=O)NCCCCn1cc[nH+]c1C ZINC000430800297 387653765 /nfs/dbraw/zinc/65/37/65/387653765.db2.gz QLWQVRMDWJABMI-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH3+])C[C@H]1C ZINC000430803584 387654173 /nfs/dbraw/zinc/65/41/73/387654173.db2.gz VMHHSFZWILSKJN-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000362770828 387657862 /nfs/dbraw/zinc/65/78/62/387657862.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362770828 387657868 /nfs/dbraw/zinc/65/78/68/387657868.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 2 1 227.352 0.252 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430890635 387657941 /nfs/dbraw/zinc/65/79/41/387657941.db2.gz RHEYCIBDLHKVTP-NWDGAFQWSA-N 2 1 239.363 0.665 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362770828 387657874 /nfs/dbraw/zinc/65/78/74/387657874.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 2 1 227.352 0.252 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937507 387663386 /nfs/dbraw/zinc/66/33/86/387663386.db2.gz CHDXQWZOXQKVQL-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430963331 387665191 /nfs/dbraw/zinc/66/51/91/387665191.db2.gz UHWADGNCWSWPGM-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430963331 387665198 /nfs/dbraw/zinc/66/51/98/387665198.db2.gz UHWADGNCWSWPGM-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000430963431 387666179 /nfs/dbraw/zinc/66/61/79/387666179.db2.gz UYEMMTQCKIDMAA-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422765118 387666392 /nfs/dbraw/zinc/66/63/92/387666392.db2.gz QFHYMGFGWPJTMD-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137769 387667087 /nfs/dbraw/zinc/66/70/87/387667087.db2.gz SMTQZIZDAOCPDS-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@@H]2C[C@@H]2[NH3+])[nH+]1 ZINC000424137785 387667492 /nfs/dbraw/zinc/66/74/92/387667492.db2.gz CLLFHHOFQJWQIP-ZJUUUORDSA-N 2 1 234.303 0.265 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431022915 387670401 /nfs/dbraw/zinc/67/04/01/387670401.db2.gz FXJAPMRBBGQPIO-HOSYDEDBSA-N 2 1 239.363 0.441 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000431021693 387671607 /nfs/dbraw/zinc/67/16/07/387671607.db2.gz ARYGVWRYDLLVTK-MIMYLULJSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@H+]1C ZINC000424138566 387672999 /nfs/dbraw/zinc/67/29/99/387672999.db2.gz DGCJQGRONRICKW-ZDCRXTMVSA-N 2 1 225.336 0.275 20 0 BCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000431062284 387674560 /nfs/dbraw/zinc/67/45/60/387674560.db2.gz OWVPERCRURIVJY-DGCLKSJQSA-N 2 1 247.342 0.897 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786194 387686354 /nfs/dbraw/zinc/68/63/54/387686354.db2.gz SIOUCYMWYWSUHG-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786196 387687719 /nfs/dbraw/zinc/68/77/19/387687719.db2.gz SIOUCYMWYWSUHG-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743554 387691303 /nfs/dbraw/zinc/69/13/03/387691303.db2.gz RSALLRSFYKULGN-NTZNESFSSA-N 2 1 223.364 0.953 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422791416 387692340 /nfs/dbraw/zinc/69/23/40/387692340.db2.gz YJBUOAXNECYGDC-NWDGAFQWSA-N 2 1 231.384 0.670 20 0 BCADMP COCCCN(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422791416 387692342 /nfs/dbraw/zinc/69/23/42/387692342.db2.gz YJBUOAXNECYGDC-NWDGAFQWSA-N 2 1 231.384 0.670 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739770 387745314 /nfs/dbraw/zinc/74/53/14/387745314.db2.gz BPQSCDIRBPWXKG-VXGBXAGGSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422865986 387746890 /nfs/dbraw/zinc/74/68/90/387746890.db2.gz ZSBUBHFNCMYSGA-AVGNSLFASA-N 2 1 241.379 0.437 20 0 BCADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422801811 387701556 /nfs/dbraw/zinc/70/15/56/387701556.db2.gz AQLFUHMSHFTCML-NWDGAFQWSA-N 2 1 211.353 0.942 20 0 BCADMP C[C@@H]([NH2+]CCN1CCCCC1)C1C[NH2+]C1 ZINC000422801796 387703142 /nfs/dbraw/zinc/70/31/42/387703142.db2.gz APWROVCBGSNPGU-LLVKDONJSA-N 2 1 211.353 0.670 20 0 BCADMP COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000127587283 387719466 /nfs/dbraw/zinc/71/94/66/387719466.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000127587283 387719471 /nfs/dbraw/zinc/71/94/71/387719471.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000127587283 387719478 /nfs/dbraw/zinc/71/94/78/387719478.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422789518 387731298 /nfs/dbraw/zinc/73/12/98/387731298.db2.gz TYZSXDXIFXXUQX-WHOHXGKFSA-N 2 1 214.353 0.981 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422840736 387732062 /nfs/dbraw/zinc/73/20/62/387732062.db2.gz CAFYVSAESPHKPC-RYUDHWBXSA-N 2 1 231.384 0.670 20 0 BCADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422840736 387732065 /nfs/dbraw/zinc/73/20/65/387732065.db2.gz CAFYVSAESPHKPC-RYUDHWBXSA-N 3 1 231.384 0.670 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422840736 387732068 /nfs/dbraw/zinc/73/20/68/387732068.db2.gz CAFYVSAESPHKPC-RYUDHWBXSA-N 3 1 231.384 0.670 20 0 BCADMP C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422847923 387735651 /nfs/dbraw/zinc/73/56/51/387735651.db2.gz AEOZRPTVKQNIIK-VOAKCMCISA-N 2 1 242.363 0.911 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129282706 387766460 /nfs/dbraw/zinc/76/64/60/387766460.db2.gz MHYKSFJBTOZOCN-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP CC[C@@H](NCC[N@@H+](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422913480 387771973 /nfs/dbraw/zinc/77/19/73/387771973.db2.gz YNIXHUWXZMHVEH-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)C)C1 ZINC000564049964 387812500 /nfs/dbraw/zinc/81/25/00/387812500.db2.gz VSZQAJWBWPZACB-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130932450 387783205 /nfs/dbraw/zinc/78/32/05/387783205.db2.gz CZAULXQRYHASPJ-KXNHARMFSA-N 2 1 239.363 0.522 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)CC[N@H+]1C ZINC000527958134 387785035 /nfs/dbraw/zinc/78/50/35/387785035.db2.gz UZGDUKBZNPFVMZ-FDYHWXHSSA-N 2 1 242.363 0.599 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422979069 387789781 /nfs/dbraw/zinc/78/97/81/387789781.db2.gz LEQAHFRMEQAKLF-UTUOFQBUSA-N 2 1 230.352 0.362 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422981228 387790999 /nfs/dbraw/zinc/79/09/99/387790999.db2.gz SIHODQYCDHWVOF-RWMBFGLXSA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422989665 387797206 /nfs/dbraw/zinc/79/72/06/387797206.db2.gz BAOXZNSLGUJVMU-DCAQKATOSA-N 2 1 230.377 0.585 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422989671 387797716 /nfs/dbraw/zinc/79/77/16/387797716.db2.gz BAOXZNSLGUJVMU-VWYCJHECSA-N 2 1 230.377 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432527710 387799512 /nfs/dbraw/zinc/79/95/12/387799512.db2.gz RGYIRXLHPYSHJW-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997926 387805602 /nfs/dbraw/zinc/80/56/02/387805602.db2.gz VOIABIILGZDGOS-DCAQKATOSA-N 2 1 200.326 0.733 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCCCO ZINC000422973938 387823056 /nfs/dbraw/zinc/82/30/56/387823056.db2.gz CYNMDFLXZWLCBP-MNOVXSKESA-N 2 1 232.393 0.690 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422973607 387824689 /nfs/dbraw/zinc/82/46/89/387824689.db2.gz CGXXISWLLRKCGK-GWOFURMSSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423007389 387828708 /nfs/dbraw/zinc/82/87/08/387828708.db2.gz QPFLKGQDLBDNEW-VWYCJHECSA-N 2 1 200.326 0.593 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423009384 387831873 /nfs/dbraw/zinc/83/18/73/387831873.db2.gz VLDNOPBFRUPJST-SRVKXCTJSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000442765700 387834629 /nfs/dbraw/zinc/83/46/29/387834629.db2.gz JONYOLJOMKRSKR-VWYCJHECSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000442765700 387834633 /nfs/dbraw/zinc/83/46/33/387834633.db2.gz JONYOLJOMKRSKR-VWYCJHECSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424158631 387836476 /nfs/dbraw/zinc/83/64/76/387836476.db2.gz UDEDJAXJICGKGW-URPMGSGRSA-N 2 1 223.320 0.075 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423015042 387838392 /nfs/dbraw/zinc/83/83/92/387838392.db2.gz QFYIXEAIFWMESP-NEPJUHHUSA-N 2 1 241.379 0.736 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+](CCCn3ccnc3)C[C@@H]2C1 ZINC000193632490 387858867 /nfs/dbraw/zinc/85/88/67/387858867.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 2 1 234.347 0.767 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CCCn3ccnc3)C[C@@H]2C1 ZINC000193632490 387858875 /nfs/dbraw/zinc/85/88/75/387858875.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 3 1 234.347 0.767 20 0 BCADMP CN1C[C@@H]2C[N@H+](CCCn3ccnc3)C[C@@H]2C1 ZINC000193632490 387858880 /nfs/dbraw/zinc/85/88/80/387858880.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 3 1 234.347 0.767 20 0 BCADMP CCCNC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193634063 387859299 /nfs/dbraw/zinc/85/92/99/387859299.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 1 239.363 0.395 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645623 387859422 /nfs/dbraw/zinc/85/94/22/387859422.db2.gz HUVKVWJSEBCEQQ-OUAUKWLOSA-N 2 1 230.377 0.204 20 0 BCADMP [NH3+]CC1CCC([NH2+]CC(F)(F)CO)CC1 ZINC000423051413 387860839 /nfs/dbraw/zinc/86/08/39/387860839.db2.gz ODOFEECPDJCJIG-UHFFFAOYSA-N 2 1 222.279 0.721 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424171138 387862995 /nfs/dbraw/zinc/86/29/95/387862995.db2.gz IXMRYRDUJYMTIF-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)[C@H]1CCC[NH2+]1 ZINC000423061434 387865319 /nfs/dbraw/zinc/86/53/19/387865319.db2.gz KUHLFMOZTBGBTR-ZRUFSTJUSA-N 2 1 212.337 0.876 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000528191553 387867240 /nfs/dbraw/zinc/86/72/40/387867240.db2.gz AQFKMGXUQRNDGX-LLVKDONJSA-N 2 1 248.330 0.544 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000528191553 387867242 /nfs/dbraw/zinc/86/72/42/387867242.db2.gz AQFKMGXUQRNDGX-LLVKDONJSA-N 2 1 248.330 0.544 20 0 BCADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536238 387867195 /nfs/dbraw/zinc/86/71/95/387867195.db2.gz OZYMGANMVXZUOY-SDDRHHMPSA-N 3 1 223.364 0.859 20 0 BCADMP C[C@@H]1CC[C@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)O1 ZINC000313335805 387870627 /nfs/dbraw/zinc/87/06/27/387870627.db2.gz BSVHGJTVEPWUPX-UTUOFQBUSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075737 387874767 /nfs/dbraw/zinc/87/47/67/387874767.db2.gz XSYFXSVQYJSBMQ-NEPJUHHUSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000442659393 387813946 /nfs/dbraw/zinc/81/39/46/387813946.db2.gz BMHPGKWBHCYAFI-WDEREUQCSA-N 2 1 223.324 0.337 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000442659393 387813953 /nfs/dbraw/zinc/81/39/53/387813953.db2.gz BMHPGKWBHCYAFI-WDEREUQCSA-N 2 1 223.324 0.337 20 0 BCADMP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000442654357 387814026 /nfs/dbraw/zinc/81/40/26/387814026.db2.gz BFIHYMWILKSGTA-VXGBXAGGSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000442659388 387815119 /nfs/dbraw/zinc/81/51/19/387815119.db2.gz BMHPGKWBHCYAFI-GHMZBOCLSA-N 2 1 223.324 0.337 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000442659388 387815122 /nfs/dbraw/zinc/81/51/22/387815122.db2.gz BMHPGKWBHCYAFI-GHMZBOCLSA-N 2 1 223.324 0.337 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)COCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422969667 387818749 /nfs/dbraw/zinc/81/87/49/387818749.db2.gz DDABCXAEAXPYEO-WXHSDQCUSA-N 2 1 242.363 0.504 20 0 BCADMP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000643537567 387872906 /nfs/dbraw/zinc/87/29/06/387872906.db2.gz LTQMSUYWXIRTEM-RHYQMDGZSA-N 2 1 241.354 0.901 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422970006 387819670 /nfs/dbraw/zinc/81/96/70/387819670.db2.gz DWMKCESLFHXIGC-JHJVBQTASA-N 2 1 244.379 0.750 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000564076425 387819753 /nfs/dbraw/zinc/81/97/53/387819753.db2.gz ATSMQMZQIFJRLK-VIFPVBQESA-N 2 1 245.348 0.214 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000444645120 387893511 /nfs/dbraw/zinc/89/35/11/387893511.db2.gz XCPWKGNXRJEFDH-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537370 387875188 /nfs/dbraw/zinc/87/51/88/387875188.db2.gz GGAHJMNPXJNKJY-NAKRPEOUSA-N 2 1 215.316 0.226 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538402 387876212 /nfs/dbraw/zinc/87/62/12/387876212.db2.gz JIXYQSHESIDSTG-NOOOWODRSA-N 2 1 229.343 0.794 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538401 387876262 /nfs/dbraw/zinc/87/62/62/387876262.db2.gz JIXYQSHESIDSTG-FIQHERPVSA-N 2 1 229.343 0.794 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538392 387876474 /nfs/dbraw/zinc/87/64/74/387876474.db2.gz JDQMZCODOILRNF-NOOOWODRSA-N 2 1 229.343 0.664 20 0 BCADMP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157864147 387879705 /nfs/dbraw/zinc/87/97/05/387879705.db2.gz BZLFGZOCQVVPIX-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CC=CCC1 ZINC000423094544 387885248 /nfs/dbraw/zinc/88/52/48/387885248.db2.gz KJDWDJUSJMLSPO-NWDGAFQWSA-N 2 1 211.353 0.964 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1CC=CCC1 ZINC000423094544 387885254 /nfs/dbraw/zinc/88/52/54/387885254.db2.gz KJDWDJUSJMLSPO-NWDGAFQWSA-N 2 1 211.353 0.964 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000423095245 387885799 /nfs/dbraw/zinc/88/57/99/387885799.db2.gz LTDVYGBIVFBPTD-OLZOCXBDSA-N 2 1 223.364 0.836 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423141547 387918864 /nfs/dbraw/zinc/91/88/64/387918864.db2.gz QOHOTBFTTQMEDH-SRVKXCTJSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184986 387899445 /nfs/dbraw/zinc/89/94/45/387899445.db2.gz YXFJVGNWGXUEEV-ZRUFSTJUSA-N 2 1 225.336 0.132 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400451782 387911018 /nfs/dbraw/zinc/91/10/18/387911018.db2.gz OUJPTFIDAHNNII-GHMZBOCLSA-N 2 1 227.352 0.633 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400451785 387914073 /nfs/dbraw/zinc/91/40/73/387914073.db2.gz OUJPTFIDAHNNII-QWRGUYRKSA-N 2 1 227.352 0.633 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444710933 387915402 /nfs/dbraw/zinc/91/54/02/387915402.db2.gz WDKWKCBUHFBNNQ-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423138682 387916624 /nfs/dbraw/zinc/91/66/24/387916624.db2.gz JUHVTPSDDQQWHR-USWWRNFRSA-N 2 1 212.337 0.593 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423143954 387920963 /nfs/dbraw/zinc/92/09/63/387920963.db2.gz FQIKAADGXYTWGR-SDDRHHMPSA-N 2 1 230.352 0.504 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423143951 387921083 /nfs/dbraw/zinc/92/10/83/387921083.db2.gz FQIKAADGXYTWGR-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423143952 387921318 /nfs/dbraw/zinc/92/13/18/387921318.db2.gz FQIKAADGXYTWGR-IJLUTSLNSA-N 2 1 230.352 0.504 20 0 BCADMP CC[C@@H]([NH2+][C@H](C)CC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000423149942 387927251 /nfs/dbraw/zinc/92/72/51/387927251.db2.gz BGPFLYNOWYNJJY-MXWKQRLJSA-N 2 1 227.352 0.631 20 0 BCADMP CC[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000423149940 387928586 /nfs/dbraw/zinc/92/85/86/387928586.db2.gz BGPFLYNOWYNJJY-DCAQKATOSA-N 2 1 227.352 0.631 20 0 BCADMP C[C@H]1CC2(C[N@H+]1CCOCC[NH3+])CC[NH2+]CC2 ZINC000424284609 387952869 /nfs/dbraw/zinc/95/28/69/387952869.db2.gz DHOJYCUAEIGPIO-LBPRGKRZSA-N 3 1 241.379 0.426 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000424298378 387959005 /nfs/dbraw/zinc/95/90/05/387959005.db2.gz DBRVWOLQPJOLHE-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299230 387959085 /nfs/dbraw/zinc/95/90/85/387959085.db2.gz DTHREFWWLWHRTA-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423176039 387962064 /nfs/dbraw/zinc/96/20/64/387962064.db2.gz BQEYFYDKYKEDSN-QWHCGFSZSA-N 3 1 240.395 0.012 20 0 BCADMP [NH3+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423175997 387962883 /nfs/dbraw/zinc/96/28/83/387962883.db2.gz BLDNHRIPFHREEG-GMTAPVOTSA-N 2 1 210.321 0.882 20 0 BCADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423189177 387974506 /nfs/dbraw/zinc/97/45/06/387974506.db2.gz MRTYEZGPNSJSJA-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423189177 387974507 /nfs/dbraw/zinc/97/45/07/387974507.db2.gz MRTYEZGPNSJSJA-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423189177 387974508 /nfs/dbraw/zinc/97/45/08/387974508.db2.gz MRTYEZGPNSJSJA-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP Cn1ccnc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000424363718 387990493 /nfs/dbraw/zinc/99/04/93/387990493.db2.gz CAZBMBWQCSYRCP-SECBINFHSA-N 2 1 244.289 0.755 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424368628 387992510 /nfs/dbraw/zinc/99/25/10/387992510.db2.gz BLWWJFMDDVWJLU-UTUOFQBUSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423210017 387995455 /nfs/dbraw/zinc/99/54/55/387995455.db2.gz GVCRQQRUSXLHSE-RYUDHWBXSA-N 2 1 222.336 0.859 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423217920 387999223 /nfs/dbraw/zinc/99/92/23/387999223.db2.gz STSMDFUDXQTYRF-MROQNXINSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000424375580 387999257 /nfs/dbraw/zinc/99/92/57/387999257.db2.gz KLYSDBZKQFKOJP-MNOVXSKESA-N 2 1 248.392 0.399 20 0 BCADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nn1)CC[NH2+]CC2 ZINC000424383870 388000866 /nfs/dbraw/zinc/00/08/66/388000866.db2.gz UQQMHXYXOUQXFR-NSHDSACASA-N 2 1 249.362 0.779 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423226369 388010187 /nfs/dbraw/zinc/01/01/87/388010187.db2.gz QMERZEOKSUIOCO-JFGNBEQYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423226369 388010189 /nfs/dbraw/zinc/01/01/89/388010189.db2.gz QMERZEOKSUIOCO-JFGNBEQYSA-N 2 1 211.353 0.796 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000156617405 388011900 /nfs/dbraw/zinc/01/19/00/388011900.db2.gz WEVZKWFKILNGDC-RYUDHWBXSA-N 2 1 241.379 0.912 20 0 BCADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000253236609 135124919 /nfs/dbraw/zinc/12/49/19/135124919.db2.gz FDINCDHGFSZXJZ-MXWKQRLJSA-N 2 1 200.326 0.951 20 0 BCADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234863 388018891 /nfs/dbraw/zinc/01/88/91/388018891.db2.gz MJHWOKOUCSPYFF-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423257920 388037907 /nfs/dbraw/zinc/03/79/07/388037907.db2.gz ASNHBGLNSFKRTQ-CHWSQXEVSA-N 2 1 243.395 0.670 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000082645513 388039359 /nfs/dbraw/zinc/03/93/59/388039359.db2.gz ABSABHSCHMXMCO-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000082645513 388039363 /nfs/dbraw/zinc/03/93/63/388039363.db2.gz ABSABHSCHMXMCO-NXEZZACHSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000423262667 388040536 /nfs/dbraw/zinc/04/05/36/388040536.db2.gz NCRRWYYDAUMBJU-QJPTWQEYSA-N 2 1 213.369 0.900 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000082304283 388026460 /nfs/dbraw/zinc/02/64/60/388026460.db2.gz IOVFEMXTXMVTFG-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000082304283 388026465 /nfs/dbraw/zinc/02/64/65/388026465.db2.gz IOVFEMXTXMVTFG-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244460 388028099 /nfs/dbraw/zinc/02/80/99/388028099.db2.gz XNZPYUYKRNKLMG-SRVKXCTJSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423246958 388029697 /nfs/dbraw/zinc/02/96/97/388029697.db2.gz OGEXUOLXUAKIPG-OUAUKWLOSA-N 2 1 210.321 0.753 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423248499 388031578 /nfs/dbraw/zinc/03/15/78/388031578.db2.gz QTXPDDVKCWKNND-QJPTWQEYSA-N 2 1 213.369 0.914 20 0 BCADMP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423248498 388031865 /nfs/dbraw/zinc/03/18/65/388031865.db2.gz QTXPDDVKCWKNND-IJLUTSLNSA-N 2 1 213.369 0.914 20 0 BCADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271439 388051912 /nfs/dbraw/zinc/05/19/12/388051912.db2.gz HLOKNFMDKCVZSA-JQWIXIFHSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278171 388060738 /nfs/dbraw/zinc/06/07/38/388060738.db2.gz QRDJZFOQJFSKAE-UPJWGTAASA-N 3 1 225.380 0.964 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000453376897 388064639 /nfs/dbraw/zinc/06/46/39/388064639.db2.gz VFTCRMUTVJAGGO-FPYNETTCSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286467 388071569 /nfs/dbraw/zinc/07/15/69/388071569.db2.gz HOALSQHSCUDTSM-GXSJLCMTSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423286467 388071571 /nfs/dbraw/zinc/07/15/71/388071571.db2.gz HOALSQHSCUDTSM-GXSJLCMTSA-N 2 1 211.353 0.796 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000084200506 388073483 /nfs/dbraw/zinc/07/34/83/388073483.db2.gz GAUZJXQHBWPESP-QWRGUYRKSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423325005 388078427 /nfs/dbraw/zinc/07/84/27/388078427.db2.gz LKHAKNNZVFAUFT-BBBLOLIVSA-N 2 1 235.322 0.899 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423325005 388078429 /nfs/dbraw/zinc/07/84/29/388078429.db2.gz LKHAKNNZVFAUFT-BBBLOLIVSA-N 2 1 235.322 0.899 20 0 BCADMP C[N@@H+](CCN1CCOCC1)CC(C)(C)C[NH3+] ZINC000086638171 388105584 /nfs/dbraw/zinc/10/55/84/388105584.db2.gz IXUPBDUGMXJBFK-UHFFFAOYSA-N 2 1 229.368 0.235 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000086932303 388111343 /nfs/dbraw/zinc/11/13/43/388111343.db2.gz FTGYNEFEGFUWFR-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP C[NH2+]C[C@@H](C)CN[C@H]1CC[N@H+](CCOC)C1 ZINC000423267081 388046297 /nfs/dbraw/zinc/04/62/97/388046297.db2.gz DUETVWZLYXVYGM-NEPJUHHUSA-N 2 1 229.368 0.152 20 0 BCADMP C[NH2+]C[C@@H](C)CN[C@H]1CC[N@@H+](CCOC)C1 ZINC000423267081 388046301 /nfs/dbraw/zinc/04/63/01/388046301.db2.gz DUETVWZLYXVYGM-NEPJUHHUSA-N 2 1 229.368 0.152 20 0 BCADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271441 388050613 /nfs/dbraw/zinc/05/06/13/388050613.db2.gz HLOKNFMDKCVZSA-ZYHUDNBSSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000646185813 388161159 /nfs/dbraw/zinc/16/11/59/388161159.db2.gz KJLRIYRAYGYGDL-GARJFASQSA-N 2 1 242.367 0.506 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297374 388178246 /nfs/dbraw/zinc/17/82/46/388178246.db2.gz DRFSKJCLNPIYMX-MNOVXSKESA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@@H+](C)C1CC1 ZINC000645906575 388123544 /nfs/dbraw/zinc/12/35/44/388123544.db2.gz SZUFQVJYMMEFJI-ONGXEEELSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000449093780 388141136 /nfs/dbraw/zinc/14/11/36/388141136.db2.gz YKMVHMCUEKXZTP-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000449101485 388142899 /nfs/dbraw/zinc/14/28/99/388142899.db2.gz FKQZSAOAOUVALM-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP COCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103782 388143217 /nfs/dbraw/zinc/14/32/17/388143217.db2.gz OKUNDZCYXUZGAL-UHFFFAOYSA-N 2 1 242.363 0.820 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000449116238 388144925 /nfs/dbraw/zinc/14/49/25/388144925.db2.gz OZBFVSBUSLVHRK-LLVKDONJSA-N 2 1 229.368 0.831 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000449118014 388145249 /nfs/dbraw/zinc/14/52/49/388145249.db2.gz RASHUYKABHLRRE-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000490456473 388239463 /nfs/dbraw/zinc/23/94/63/388239463.db2.gz ZXYDIWSJCXTRNQ-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[N@@H+](C)C(C)C ZINC000449608502 388241808 /nfs/dbraw/zinc/24/18/08/388241808.db2.gz IDANXQIBNQQUMK-SECBINFHSA-N 2 1 201.314 0.180 20 0 BCADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000163426424 388287619 /nfs/dbraw/zinc/28/76/19/388287619.db2.gz LXVFVWSVHNUJRP-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000491869758 388325507 /nfs/dbraw/zinc/32/55/07/388325507.db2.gz NLIDYCWPODPNJP-PZBABLGHSA-N 2 1 239.363 0.562 20 0 BCADMP C[NH+](C)C/C=C\C(=O)N1CC[NH+](C2CC2)CC1 ZINC000491874715 388325920 /nfs/dbraw/zinc/32/59/20/388325920.db2.gz WLSRJUXDYUDIMA-ARJAWSKDSA-N 2 1 237.347 0.411 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953274 388269021 /nfs/dbraw/zinc/26/90/21/388269021.db2.gz MXBUIARBKZNVSG-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953459 388269057 /nfs/dbraw/zinc/26/90/57/388269057.db2.gz UVHSIOXFHYIZSE-LBPRGKRZSA-N 2 1 237.347 0.339 20 0 BCADMP [NH3+]CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953310 388269132 /nfs/dbraw/zinc/26/91/32/388269132.db2.gz OZUTXLCISRWAKB-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953239 388269368 /nfs/dbraw/zinc/26/93/68/388269368.db2.gz KTQCAYYXICGKOY-VXGBXAGGSA-N 2 1 237.347 0.339 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000645953493 388269448 /nfs/dbraw/zinc/26/94/48/388269448.db2.gz VXAYRTCAQMYRTD-LLVKDONJSA-N 2 1 237.347 0.468 20 0 BCADMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156208 388347981 /nfs/dbraw/zinc/34/79/81/388347981.db2.gz UVDOGRFGXYYWTL-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300392128 388364618 /nfs/dbraw/zinc/36/46/18/388364618.db2.gz YOBJUTLXEMDLQB-SRVKXCTJSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC000086495479 388367953 /nfs/dbraw/zinc/36/79/53/388367953.db2.gz BFKPDMVPWZYUND-VWYCJHECSA-N 2 1 227.352 0.583 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000524652614 388370465 /nfs/dbraw/zinc/37/04/65/388370465.db2.gz VUCZCEOZUWWSCK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000524652614 388370467 /nfs/dbraw/zinc/37/04/67/388370467.db2.gz VUCZCEOZUWWSCK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC(C)(C)[NH3+] ZINC000646523169 388374973 /nfs/dbraw/zinc/37/49/73/388374973.db2.gz GJPFRKSQYCDRPK-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCCC1=O ZINC000572777901 388375382 /nfs/dbraw/zinc/37/53/82/388375382.db2.gz PPFWRDVDPQUPBO-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCCC1=O ZINC000572777901 388375385 /nfs/dbraw/zinc/37/53/85/388375385.db2.gz PPFWRDVDPQUPBO-WDEREUQCSA-N 2 1 225.336 0.420 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC1([NH3+])CCC1 ZINC000646523236 388375519 /nfs/dbraw/zinc/37/55/19/388375519.db2.gz SPGPMFGLOQPOJO-UHFFFAOYSA-N 2 1 239.363 0.811 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000354292803 388378372 /nfs/dbraw/zinc/37/83/72/388378372.db2.gz XOFNPPQJVVMCLJ-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000236872106 388384894 /nfs/dbraw/zinc/38/48/94/388384894.db2.gz XTIKQTXTWVDNAV-NSHDSACASA-N 2 1 241.379 0.772 20 0 BCADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000236902820 388385810 /nfs/dbraw/zinc/38/58/10/388385810.db2.gz HMZYIDYEKRSSII-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+](CC(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000237054391 388388568 /nfs/dbraw/zinc/38/85/68/388388568.db2.gz BAHHELGVNZALBF-UHFFFAOYSA-N 2 1 249.358 0.972 20 0 BCADMP C[N@@H+](CC(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000237054391 388388569 /nfs/dbraw/zinc/38/85/69/388388569.db2.gz BAHHELGVNZALBF-UHFFFAOYSA-N 2 1 249.358 0.972 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237263924 388391705 /nfs/dbraw/zinc/39/17/05/388391705.db2.gz MYZBHAQFDQBIBM-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CCOCCC[N@@H+](C)CCOCC[NH3+] ZINC000300935869 388391889 /nfs/dbraw/zinc/39/18/89/388391889.db2.gz CNIQFUCPQFNPDJ-UHFFFAOYSA-N 2 1 204.314 0.320 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000237400034 388394211 /nfs/dbraw/zinc/39/42/11/388394211.db2.gz JGUPSTHVMZYOAH-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468693 /nfs/dbraw/zinc/46/86/93/388468693.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468695 /nfs/dbraw/zinc/46/86/95/388468695.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468698 /nfs/dbraw/zinc/46/86/98/388468698.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468702 /nfs/dbraw/zinc/46/87/02/388468702.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468705 /nfs/dbraw/zinc/46/87/05/388468705.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](O)C1(C)C)C1CC1 ZINC000336722006 388468706 /nfs/dbraw/zinc/46/87/06/388468706.db2.gz SQLZRINPPSRMLM-VXGBXAGGSA-N 2 1 242.363 0.287 20 0 BCADMP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000646689298 388417572 /nfs/dbraw/zinc/41/75/72/388417572.db2.gz BEIGUHGNBKDKRJ-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](O)C[NH2+]CCCn1cc[nH+]c1C ZINC000514931977 256725126 /nfs/dbraw/zinc/72/51/26/256725126.db2.gz MAWZXOMMXPJQSL-NSHDSACASA-N 2 1 211.309 0.942 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[NH3+] ZINC000517139412 388539474 /nfs/dbraw/zinc/53/94/74/388539474.db2.gz GIBDLMNPDNXJJK-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000352893498 388540148 /nfs/dbraw/zinc/54/01/48/388540148.db2.gz OWPVQXAOGTUAMU-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352893498 388540150 /nfs/dbraw/zinc/54/01/50/388540150.db2.gz OWPVQXAOGTUAMU-QWHCGFSZSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH3+] ZINC000649273130 388483947 /nfs/dbraw/zinc/48/39/47/388483947.db2.gz MCULTPDQBQBVDI-PHIMTYICSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000646762227 388485770 /nfs/dbraw/zinc/48/57/70/388485770.db2.gz PUKWZXWSQKLEMN-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648903918 388487907 /nfs/dbraw/zinc/48/79/07/388487907.db2.gz IFSROLAJVISHRX-HBNTYKKESA-N 2 1 227.352 0.393 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000340357316 388489885 /nfs/dbraw/zinc/48/98/85/388489885.db2.gz DDNSAKBUDQZHQG-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000340357316 388489888 /nfs/dbraw/zinc/48/98/88/388489888.db2.gz DDNSAKBUDQZHQG-ZYHUDNBSSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648931160 388504400 /nfs/dbraw/zinc/50/44/00/388504400.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648931160 388504402 /nfs/dbraw/zinc/50/44/02/388504402.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648931160 388504405 /nfs/dbraw/zinc/50/44/05/388504405.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346845705 388521073 /nfs/dbraw/zinc/52/10/73/388521073.db2.gz KWQRPQRBSMQPIV-DLOVCJGASA-N 2 1 235.335 0.374 20 0 BCADMP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346845705 388521076 /nfs/dbraw/zinc/52/10/76/388521076.db2.gz KWQRPQRBSMQPIV-DLOVCJGASA-N 2 1 235.335 0.374 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545405 388588499 /nfs/dbraw/zinc/58/84/99/388588499.db2.gz UFJRPAWHTQKHSN-YNEHKIRRSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545405 388588501 /nfs/dbraw/zinc/58/85/01/388588501.db2.gz UFJRPAWHTQKHSN-YNEHKIRRSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545405 388588502 /nfs/dbraw/zinc/58/85/02/388588502.db2.gz UFJRPAWHTQKHSN-YNEHKIRRSA-N 2 1 244.379 0.656 20 0 BCADMP C[NH2+]CCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306547 388591391 /nfs/dbraw/zinc/59/13/91/388591391.db2.gz YFSASONPHHSQFF-UHFFFAOYSA-N 2 1 247.342 0.728 20 0 BCADMP [NH3+]CCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306233 388591479 /nfs/dbraw/zinc/59/14/79/388591479.db2.gz HIAURQCNAPTHKO-UHFFFAOYSA-N 2 1 233.315 0.467 20 0 BCADMP CC[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000517540383 388552132 /nfs/dbraw/zinc/55/21/32/388552132.db2.gz NGSZYPNUCOSLDU-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000649297713 388575347 /nfs/dbraw/zinc/57/53/47/388575347.db2.gz RZNWDXGPLARDIS-WHOHXGKFSA-N 2 1 237.347 0.467 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298009 388577000 /nfs/dbraw/zinc/57/70/00/388577000.db2.gz JORVXXBUMSIFHD-YGNMPJRFSA-N 2 1 249.358 0.337 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301609 388584289 /nfs/dbraw/zinc/58/42/89/388584289.db2.gz GLJLIMIQVDAGPV-MLGHIDQZSA-N 2 1 249.358 0.195 20 0 BCADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000552118800 388670959 /nfs/dbraw/zinc/67/09/59/388670959.db2.gz XGQDQGACRIOEIJ-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP [NH3+]CCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000522008776 388672821 /nfs/dbraw/zinc/67/28/21/388672821.db2.gz VTTMRYHTQMJBGA-UHFFFAOYSA-N 2 1 214.309 0.217 20 0 BCADMP [NH3+]CCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000522008776 388672824 /nfs/dbraw/zinc/67/28/24/388672824.db2.gz VTTMRYHTQMJBGA-UHFFFAOYSA-N 2 1 214.309 0.217 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000248045668 388673037 /nfs/dbraw/zinc/67/30/37/388673037.db2.gz UYHGTOUDVJERSL-AAEUAGOBSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000521998460 388673715 /nfs/dbraw/zinc/67/37/15/388673715.db2.gz LCLPJHNWUPHCFO-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CCn1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000530208594 388627059 /nfs/dbraw/zinc/62/70/59/388627059.db2.gz IDWJPKNGTUUTDD-PWSUYJOCSA-N 2 1 237.351 0.905 20 0 BCADMP C[C@@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000530216145 388630785 /nfs/dbraw/zinc/63/07/85/388630785.db2.gz MWLBXMSQZHACCF-QWRGUYRKSA-N 2 1 211.353 0.988 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000246490066 388639274 /nfs/dbraw/zinc/63/92/74/388639274.db2.gz PFISQAIHJLOXSU-GARJFASQSA-N 2 1 227.352 0.522 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000521897994 388639754 /nfs/dbraw/zinc/63/97/54/388639754.db2.gz NMPFHJWFJMLVHG-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881483 388659897 /nfs/dbraw/zinc/65/98/97/388659897.db2.gz YTGAIPBPUWUIBE-DRZSPHRISA-N 2 1 234.347 0.979 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251202428 388745829 /nfs/dbraw/zinc/74/58/29/388745829.db2.gz KZBUNNCWHGWCDJ-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP C[NH+](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000553190105 388751880 /nfs/dbraw/zinc/75/18/80/388751880.db2.gz APTAKQBIAFPLCB-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000126457871 388696168 /nfs/dbraw/zinc/69/61/68/388696168.db2.gz KMIKPSQOUVNCFX-UHFFFAOYSA-N 2 1 242.363 0.891 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522170439 388712909 /nfs/dbraw/zinc/71/29/09/388712909.db2.gz VUTVTDHQTTUZDB-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000226396237 388718260 /nfs/dbraw/zinc/71/82/60/388718260.db2.gz GMLZXMGMJFTHHM-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000249441366 388722297 /nfs/dbraw/zinc/72/22/97/388722297.db2.gz KCVJEVZXPYOACM-GHMZBOCLSA-N 2 1 232.393 0.594 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CSC)C1 ZINC000249481429 388723143 /nfs/dbraw/zinc/72/31/43/388723143.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000249481429 388723144 /nfs/dbraw/zinc/72/31/44/388723144.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000249481429 388723146 /nfs/dbraw/zinc/72/31/46/388723146.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 2 1 246.420 0.984 20 0 BCADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000564211030 388726345 /nfs/dbraw/zinc/72/63/45/388726345.db2.gz MTWFKYWOPJQAOY-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000648743820 388781398 /nfs/dbraw/zinc/78/13/98/388781398.db2.gz VYCXPRXRFBCPND-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000648743820 388781401 /nfs/dbraw/zinc/78/14/01/388781401.db2.gz VYCXPRXRFBCPND-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000648743820 388781407 /nfs/dbraw/zinc/78/14/07/388781407.db2.gz VYCXPRXRFBCPND-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855796 388894315 /nfs/dbraw/zinc/89/43/15/388894315.db2.gz FASMXVULPJBQAX-JQWIXIFHSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855796 388894320 /nfs/dbraw/zinc/89/43/20/388894320.db2.gz FASMXVULPJBQAX-JQWIXIFHSA-N 2 1 224.348 0.831 20 0 BCADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129883177 388875376 /nfs/dbraw/zinc/87/53/76/388875376.db2.gz MKWXLKUBUAGUDO-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCO[C@H](C)C1 ZINC000564459212 388875858 /nfs/dbraw/zinc/87/58/58/388875858.db2.gz QIGRNJACCCSLGY-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CC[NH2+]CCCNC(=O)CC(F)(F)C[NH3+] ZINC000564580525 388878332 /nfs/dbraw/zinc/87/83/32/388878332.db2.gz XFJORBUWPRWNBE-UHFFFAOYSA-N 2 1 223.267 0.086 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000564576476 388878824 /nfs/dbraw/zinc/87/88/24/388878824.db2.gz MNMRYNJOWRIWHC-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000564576476 388878826 /nfs/dbraw/zinc/87/88/26/388878826.db2.gz MNMRYNJOWRIWHC-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP C[NH2+][C@H]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000564988104 388905577 /nfs/dbraw/zinc/90/55/77/388905577.db2.gz IAANUPWGRJYPJD-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+][C@H]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000564988104 388905580 /nfs/dbraw/zinc/90/55/80/388905580.db2.gz IAANUPWGRJYPJD-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000564994146 388906845 /nfs/dbraw/zinc/90/68/45/388906845.db2.gz NNLHJLDZCQHOGT-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000565039842 388909289 /nfs/dbraw/zinc/90/92/89/388909289.db2.gz FDQBKAWTDMCALM-SNVBAGLBSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@](C)(O)C[NH2+]C ZINC000565095732 388912967 /nfs/dbraw/zinc/91/29/67/388912967.db2.gz PDPSTWRVBBSWAS-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565234689 388929236 /nfs/dbraw/zinc/92/92/36/388929236.db2.gz XEWDKORZHBFPGX-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565234691 388930194 /nfs/dbraw/zinc/93/01/94/388930194.db2.gz XEWDKORZHBFPGX-RYUDHWBXSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1nccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000564971290 388904032 /nfs/dbraw/zinc/90/40/32/388904032.db2.gz VFXDAVDKGJILRD-LLVKDONJSA-N 2 1 208.309 0.509 20 0 BCADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000566008497 388983683 /nfs/dbraw/zinc/98/36/83/388983683.db2.gz JXYMXKLQINMTPX-NSHDSACASA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN1CCO[C@H](C)C1 ZINC000566069136 388986113 /nfs/dbraw/zinc/98/61/13/388986113.db2.gz WRIUHTPNRSHROP-YNEHKIRRSA-N 2 1 241.379 0.376 20 0 BCADMP Cn1nccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891706 389025224 /nfs/dbraw/zinc/02/52/24/389025224.db2.gz OPUNFFKQOBBKIT-UHFFFAOYSA-N 2 1 220.320 0.772 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000493897160 533258202 /nfs/dbraw/zinc/25/82/02/533258202.db2.gz LZGLAXVLZSQYIF-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391809 533364719 /nfs/dbraw/zinc/36/47/19/533364719.db2.gz JCURTFLEXLQYAX-CHWSQXEVSA-N 3 1 223.364 0.671 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391813 533365476 /nfs/dbraw/zinc/36/54/76/533365476.db2.gz JCURTFLEXLQYAX-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261535703 533376918 /nfs/dbraw/zinc/37/69/18/533376918.db2.gz PCHQMAAFDZHCGV-IJLUTSLNSA-N 2 1 210.321 0.564 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261535705 533377164 /nfs/dbraw/zinc/37/71/64/533377164.db2.gz PCHQMAAFDZHCGV-WOPDTQHZSA-N 2 1 210.321 0.564 20 0 BCADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400367316 533393870 /nfs/dbraw/zinc/39/38/70/533393870.db2.gz SEFZBOJMUSTQNM-OLZOCXBDSA-N 2 1 223.364 0.978 20 0 BCADMP Cc1cccc(N2CCC([NH2+]CCO)CC2)[nH+]1 ZINC000290979843 132217606 /nfs/dbraw/zinc/21/76/06/132217606.db2.gz RIKWTELULKIPEW-UHFFFAOYSA-N 2 1 235.331 0.941 20 0 BCADMP CCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000054855942 132365001 /nfs/dbraw/zinc/36/50/01/132365001.db2.gz DVYSUKJESVSNAD-UHFFFAOYSA-N 2 1 249.362 0.728 20 0 BCADMP CC[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000335931237 134010712 /nfs/dbraw/zinc/01/07/12/134010712.db2.gz GDVTTZBPRLNKNE-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335970503 134029506 /nfs/dbraw/zinc/02/95/06/134029506.db2.gz ZFLRMJCSSLZFMJ-NEPJUHHUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+](C)C ZINC000336125171 134092388 /nfs/dbraw/zinc/09/23/88/134092388.db2.gz XROAGHIHLNNMFV-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000167601259 134153093 /nfs/dbraw/zinc/15/30/93/134153093.db2.gz FZPHGTDRPBKYDV-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000167601259 134153094 /nfs/dbraw/zinc/15/30/94/134153094.db2.gz FZPHGTDRPBKYDV-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP O=C([C@H]1CC[NH2+]C1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747931 134310764 /nfs/dbraw/zinc/31/07/64/134310764.db2.gz RNXKOIUCMDXFSS-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCOC)[C@H](C)C1 ZINC000178632084 134312651 /nfs/dbraw/zinc/31/26/51/134312651.db2.gz QZJFFPBONKKYDV-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH2+]CCCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000178702960 134313205 /nfs/dbraw/zinc/31/32/05/134313205.db2.gz JEJYQKWGDCXMCU-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178835975 134315432 /nfs/dbraw/zinc/31/54/32/134315432.db2.gz PNZKJLUVCNWHDG-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000178818582 134315722 /nfs/dbraw/zinc/31/57/22/134315722.db2.gz VTEVNAGCTAXDQD-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815746 134315915 /nfs/dbraw/zinc/31/59/15/134315915.db2.gz ZMLYDHBTEYQVGX-VWYCJHECSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CCC[NH3+])C[N@H+]1C1CC1 ZINC000178867514 134316237 /nfs/dbraw/zinc/31/62/37/134316237.db2.gz KDNRQSQPUVZHGU-VHSXEESVSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222660115 134333738 /nfs/dbraw/zinc/33/37/38/134333738.db2.gz KJBSCQSYMALURO-GARJFASQSA-N 2 1 200.326 0.545 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226127 134345386 /nfs/dbraw/zinc/34/53/86/134345386.db2.gz YPLWCFLAWWUWHX-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226127 134345387 /nfs/dbraw/zinc/34/53/87/134345387.db2.gz YPLWCFLAWWUWHX-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327536 134360245 /nfs/dbraw/zinc/36/02/45/134360245.db2.gz WDYGVAJVIUHNJG-KXUCPTDWSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327536 134360246 /nfs/dbraw/zinc/36/02/46/134360246.db2.gz WDYGVAJVIUHNJG-KXUCPTDWSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327541 134360396 /nfs/dbraw/zinc/36/03/96/134360396.db2.gz WDYGVAJVIUHNJG-UTLUCORTSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327541 134360397 /nfs/dbraw/zinc/36/03/97/134360397.db2.gz WDYGVAJVIUHNJG-UTLUCORTSA-N 2 1 213.325 0.323 20 0 BCADMP CCOC(=O)C[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000227747490 134392018 /nfs/dbraw/zinc/39/20/18/134392018.db2.gz DJMFCLUBVBEXPZ-VIFPVBQESA-N 2 1 202.298 0.609 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644690 134851815 /nfs/dbraw/zinc/85/18/15/134851815.db2.gz XQBUICQYOXCWRF-WNYYMSAVSA-N 3 1 211.353 0.986 20 0 BCADMP C[NH2+]CCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000249852255 135046168 /nfs/dbraw/zinc/04/61/68/135046168.db2.gz MDFOQUWWQSQKPU-LBPRGKRZSA-N 2 1 211.353 0.766 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250458320 135055360 /nfs/dbraw/zinc/05/53/60/135055360.db2.gz JVLXHWZWFXBPOR-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000251258692 135067554 /nfs/dbraw/zinc/06/75/54/135067554.db2.gz VRLADSUTZSUZFZ-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333853 135069167 /nfs/dbraw/zinc/06/91/67/135069167.db2.gz PJQSMFZWGLWATL-FRRDWIJNSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646582 135073562 /nfs/dbraw/zinc/07/35/62/135073562.db2.gz GEKSOVGSMWNEFB-VHSXEESVSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251760423 135076265 /nfs/dbraw/zinc/07/62/65/135076265.db2.gz LUFQCEQHBSMZDK-MWLCHTKSSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000251760423 135076267 /nfs/dbraw/zinc/07/62/67/135076267.db2.gz LUFQCEQHBSMZDK-MWLCHTKSSA-N 2 1 208.309 0.589 20 0 BCADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435480 135084042 /nfs/dbraw/zinc/08/40/42/135084042.db2.gz SQCBPYFKOICROT-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000086435576 135084137 /nfs/dbraw/zinc/08/41/37/135084137.db2.gz AURJQIBNXXKPOF-WDEREUQCSA-N 2 1 214.309 0.215 20 0 BCADMP CC[C@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000086435418 135084211 /nfs/dbraw/zinc/08/42/11/135084211.db2.gz RBXKQNOXGNMOHW-JTQLQIEISA-N 2 1 202.298 0.073 20 0 BCADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435397 135084386 /nfs/dbraw/zinc/08/43/86/135084386.db2.gz XBWWJGXWBZTPHJ-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440689 135089640 /nfs/dbraw/zinc/08/96/40/135089640.db2.gz KWHBKUNLCDOQQJ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252542768 135092550 /nfs/dbraw/zinc/09/25/50/135092550.db2.gz GHJNSRFACDLRMX-AGIUHOORSA-N 2 1 242.363 0.864 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252542768 135092553 /nfs/dbraw/zinc/09/25/53/135092553.db2.gz GHJNSRFACDLRMX-AGIUHOORSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252660868 135094391 /nfs/dbraw/zinc/09/43/91/135094391.db2.gz BQUURSZIJJYVRS-IRCOFANPSA-N 2 1 214.353 0.933 20 0 BCADMP CNC(=O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702798 135095068 /nfs/dbraw/zinc/09/50/68/135095068.db2.gz IJFXFTVOLRBGCW-UHFFFAOYSA-N 2 1 213.325 0.054 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702785 135095280 /nfs/dbraw/zinc/09/52/80/135095280.db2.gz OFLIWIDXKZUPQG-SNVBAGLBSA-N 2 1 228.336 0.727 20 0 BCADMP CCCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696557 135096583 /nfs/dbraw/zinc/09/65/83/135096583.db2.gz AZNPPFYCNAKKPC-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696557 135096586 /nfs/dbraw/zinc/09/65/86/135096586.db2.gz AZNPPFYCNAKKPC-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886925 135100706 /nfs/dbraw/zinc/10/07/06/135100706.db2.gz JDXQWJWAQPYQLU-YWVKMMECSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886925 135100709 /nfs/dbraw/zinc/10/07/09/135100709.db2.gz JDXQWJWAQPYQLU-YWVKMMECSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000086886085 135101064 /nfs/dbraw/zinc/10/10/64/135101064.db2.gz HYGBVRCOYQCZPR-QWRGUYRKSA-N 2 1 208.309 0.552 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000086930514 135103076 /nfs/dbraw/zinc/10/30/76/135103076.db2.gz RXUIICOHDKVPIY-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000252844482 135112849 /nfs/dbraw/zinc/11/28/49/135112849.db2.gz DOQZBQIDZFEGDS-AVGNSLFASA-N 2 1 234.347 0.979 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000262324748 135118050 /nfs/dbraw/zinc/11/80/50/135118050.db2.gz FWAIVMWWGMKDCD-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261545763 135151451 /nfs/dbraw/zinc/15/14/51/135151451.db2.gz KJBFMBFCAJKYIX-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP COCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261528793 135154553 /nfs/dbraw/zinc/15/45/53/135154553.db2.gz NXNVPZMDUXONJN-GHMZBOCLSA-N 2 1 200.326 0.953 20 0 BCADMP C[N@@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)[NH3+] ZINC000261531121 135160080 /nfs/dbraw/zinc/16/00/80/135160080.db2.gz FHBMDILLCFKVCD-NXEZZACHSA-N 2 1 200.326 0.817 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)[NH3+] ZINC000261531123 135160216 /nfs/dbraw/zinc/16/02/16/135160216.db2.gz FHBMDILLCFKVCD-VHSXEESVSA-N 2 1 200.326 0.817 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532970 135163867 /nfs/dbraw/zinc/16/38/67/135163867.db2.gz FBPZYWDOBFNSGN-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532970 135163868 /nfs/dbraw/zinc/16/38/68/135163868.db2.gz FBPZYWDOBFNSGN-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533452 135165253 /nfs/dbraw/zinc/16/52/53/135165253.db2.gz BAGOVGAEKNFATB-WOPDTQHZSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CO ZINC000261536667 135172159 /nfs/dbraw/zinc/17/21/59/135172159.db2.gz SKUVSBUDJUYXEC-JQWIXIFHSA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261538049 135175793 /nfs/dbraw/zinc/17/57/93/135175793.db2.gz XHAIATBDEUZOMD-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261538049 135175794 /nfs/dbraw/zinc/17/57/94/135175794.db2.gz XHAIATBDEUZOMD-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261539866 135178574 /nfs/dbraw/zinc/17/85/74/135178574.db2.gz DGKIJNXYDMNHJN-NSHDSACASA-N 2 1 213.369 0.997 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000261540387 135179322 /nfs/dbraw/zinc/17/93/22/135179322.db2.gz GIOFIMSFRWTMTO-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000261540387 135179323 /nfs/dbraw/zinc/17/93/23/135179323.db2.gz GIOFIMSFRWTMTO-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261541182 135180565 /nfs/dbraw/zinc/18/05/65/135180565.db2.gz ATSUFSOHBKLAOG-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261560502 135200849 /nfs/dbraw/zinc/20/08/49/135200849.db2.gz URQMMTDSDVPPIW-MFKMUULPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261560502 135200851 /nfs/dbraw/zinc/20/08/51/135200851.db2.gz URQMMTDSDVPPIW-MFKMUULPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560112 135201119 /nfs/dbraw/zinc/20/11/19/135201119.db2.gz ZQHCJLDOZMRAKR-NEPJUHHUSA-N 2 1 212.337 0.690 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570376 135212076 /nfs/dbraw/zinc/21/20/76/135212076.db2.gz GUIVNZOKQWVKMX-JOYOIKCWSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570376 135212078 /nfs/dbraw/zinc/21/20/78/135212078.db2.gz GUIVNZOKQWVKMX-JOYOIKCWSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000164123158 135213557 /nfs/dbraw/zinc/21/35/57/135213557.db2.gz RRKHONOHMNEOPY-QJPTWQEYSA-N 2 1 237.351 0.739 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164123158 135213558 /nfs/dbraw/zinc/21/35/58/135213558.db2.gz RRKHONOHMNEOPY-QJPTWQEYSA-N 2 1 237.351 0.739 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579184 135219642 /nfs/dbraw/zinc/21/96/42/135219642.db2.gz MEIMACNNJLUJSD-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579184 135219643 /nfs/dbraw/zinc/21/96/43/135219643.db2.gz MEIMACNNJLUJSD-GFCCVEGCSA-N 3 1 211.353 0.799 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367337 135223596 /nfs/dbraw/zinc/22/35/96/135223596.db2.gz UEPRILLIBJGIPC-CMPLNLGQSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380500 135225407 /nfs/dbraw/zinc/22/54/07/135225407.db2.gz VOLIIZQXENCANE-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(CC(C)(C)[NH3+])[C@H]2C1 ZINC000261585452 135227072 /nfs/dbraw/zinc/22/70/72/135227072.db2.gz QJHVIEUNCJXKAU-QWRGUYRKSA-N 2 1 211.353 0.750 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000261591718 135231678 /nfs/dbraw/zinc/23/16/78/135231678.db2.gz VNJQJRPWCQTUTM-LBPRGKRZSA-N 2 1 211.353 0.655 20 0 BCADMP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC1CC[NH2+]CC1 ZINC000261546531 135238181 /nfs/dbraw/zinc/23/81/81/135238181.db2.gz GWWQHPMUAFAXEY-MEBFFEOJSA-N 2 1 236.359 0.687 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261649993 135242374 /nfs/dbraw/zinc/24/23/74/135242374.db2.gz FJROVMJVEZYKEZ-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP OCC[N@@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000261638661 135242958 /nfs/dbraw/zinc/24/29/58/135242958.db2.gz ACDCDPFIYGWPDC-UHFFFAOYSA-N 2 1 242.363 0.459 20 0 BCADMP NC(=[NH2+])NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000261668087 135244851 /nfs/dbraw/zinc/24/48/51/135244851.db2.gz JYJZOLCXWVTLBI-VXGBXAGGSA-N 2 1 248.330 0.105 20 0 BCADMP NC(=[NH2+])NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000261668087 135244852 /nfs/dbraw/zinc/24/48/52/135244852.db2.gz JYJZOLCXWVTLBI-VXGBXAGGSA-N 2 1 248.330 0.105 20 0 BCADMP NC(=[NH2+])NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000261668080 135244875 /nfs/dbraw/zinc/24/48/75/135244875.db2.gz JYJZOLCXWVTLBI-NEPJUHHUSA-N 2 1 248.330 0.105 20 0 BCADMP NC(=[NH2+])NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000261668080 135244877 /nfs/dbraw/zinc/24/48/77/135244877.db2.gz JYJZOLCXWVTLBI-NEPJUHHUSA-N 2 1 248.330 0.105 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261719305 135247451 /nfs/dbraw/zinc/24/74/51/135247451.db2.gz FBBPYJLETUVEEI-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261761678 135251045 /nfs/dbraw/zinc/25/10/45/135251045.db2.gz JTHSVBXRZBRXHJ-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261798776 135253410 /nfs/dbraw/zinc/25/34/10/135253410.db2.gz OAEVIGOCPYZGOG-WCQYABFASA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261798776 135253412 /nfs/dbraw/zinc/25/34/12/135253412.db2.gz OAEVIGOCPYZGOG-WCQYABFASA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261811340 135254300 /nfs/dbraw/zinc/25/43/00/135254300.db2.gz HREOSDDXRROIIQ-UTUOFQBUSA-N 2 1 239.363 0.429 20 0 BCADMP COC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823221 135255019 /nfs/dbraw/zinc/25/50/19/135255019.db2.gz IOUGWVZZMCVUFG-AAEUAGOBSA-N 2 1 242.363 0.722 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261857071 135258121 /nfs/dbraw/zinc/25/81/21/135258121.db2.gz WNDGJAKCRJFLEM-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875138 135259209 /nfs/dbraw/zinc/25/92/09/135259209.db2.gz POTSMMIMBLARCW-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875138 135259210 /nfs/dbraw/zinc/25/92/10/135259210.db2.gz POTSMMIMBLARCW-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC000261947432 135265195 /nfs/dbraw/zinc/26/51/95/135265195.db2.gz FPFXQTZMMPFXQY-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCOC[C@@]12CCOC2 ZINC000261940653 135265203 /nfs/dbraw/zinc/26/52/03/135265203.db2.gz MPDIDOIFYJTPAT-ZDUSSCGKSA-N 2 1 240.347 0.477 20 0 BCADMP CC(C)C(=O)NCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261959310 135265823 /nfs/dbraw/zinc/26/58/23/135265823.db2.gz HAWNICOTIWSYSY-CYBMUJFWSA-N 2 1 241.379 0.690 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261959310 135265825 /nfs/dbraw/zinc/26/58/25/135265825.db2.gz HAWNICOTIWSYSY-CYBMUJFWSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C(N)=O)C1 ZINC000262018917 135272852 /nfs/dbraw/zinc/27/28/52/135272852.db2.gz VZETWEFNJQODHS-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262103454 135278728 /nfs/dbraw/zinc/27/87/28/135278728.db2.gz VTVPMJQKZFYQEK-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262103454 135278729 /nfs/dbraw/zinc/27/87/29/135278729.db2.gz VTVPMJQKZFYQEK-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000262137861 135281154 /nfs/dbraw/zinc/28/11/54/135281154.db2.gz YWDBDZUJPNNPHT-NTZNESFSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000262137861 135281155 /nfs/dbraw/zinc/28/11/55/135281155.db2.gz YWDBDZUJPNNPHT-NTZNESFSSA-N 2 1 239.363 0.572 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262240978 135287181 /nfs/dbraw/zinc/28/71/81/135287181.db2.gz NXYCPEIDUXFGQI-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262269973 135289183 /nfs/dbraw/zinc/28/91/83/135289183.db2.gz SIAIZFXACWTDSI-LBPRGKRZSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262310248 135292317 /nfs/dbraw/zinc/29/23/17/135292317.db2.gz CUUIPRXGVNIRAA-QWRGUYRKSA-N 2 1 227.352 0.429 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)[C@@H](C)C1 ZINC000262451774 135299959 /nfs/dbraw/zinc/29/99/59/135299959.db2.gz WCRNBTVJZKDERB-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262484054 135301562 /nfs/dbraw/zinc/30/15/62/135301562.db2.gz ZWKDAFUINGZCAS-OUAUKWLOSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH3+])CCC1 ZINC000342607710 135302862 /nfs/dbraw/zinc/30/28/62/135302862.db2.gz OJJOEVCCYYTIDA-PHIMTYICSA-N 2 1 239.363 0.857 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342754437 135312409 /nfs/dbraw/zinc/31/24/09/135312409.db2.gz QXZOCKXLCWEGSP-IUCAKERBSA-N 2 1 249.305 0.331 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000342710957 135312796 /nfs/dbraw/zinc/31/27/96/135312796.db2.gz PZZUOILWELUKSK-DTWKUNHWSA-N 2 1 249.305 0.298 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000262992643 135325893 /nfs/dbraw/zinc/32/58/93/135325893.db2.gz NWEVABSYTRRWIG-DTWKUNHWSA-N 2 1 247.289 0.052 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221670 135340190 /nfs/dbraw/zinc/34/01/90/135340190.db2.gz LYQGPCPBIBJDIO-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334320826 135352319 /nfs/dbraw/zinc/35/23/19/135352319.db2.gz HEZWMCVVNYNXEO-ZDUSSCGKSA-N 3 1 223.364 0.671 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCN(C)C[C@H]1C ZINC000334369061 135373494 /nfs/dbraw/zinc/37/34/94/135373494.db2.gz UBACPMWKBIXWDN-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C ZINC000334369061 135373495 /nfs/dbraw/zinc/37/34/95/135373495.db2.gz UBACPMWKBIXWDN-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C ZINC000334369061 135373497 /nfs/dbraw/zinc/37/34/97/135373497.db2.gz UBACPMWKBIXWDN-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000334369061 135373498 /nfs/dbraw/zinc/37/34/98/135373498.db2.gz UBACPMWKBIXWDN-LLVKDONJSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000347647286 136000023 /nfs/dbraw/zinc/00/00/23/136000023.db2.gz FSRZXSOURPSSNK-ZYHUDNBSSA-N 2 1 235.331 0.753 20 0 BCADMP CC(C)[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000347714197 136003268 /nfs/dbraw/zinc/00/32/68/136003268.db2.gz BSJQTGONTADRPF-UHFFFAOYSA-N 2 1 236.363 0.989 20 0 BCADMP C[C@@H](C[S@](C)=O)[N@@H+](C)CCc1cncn1C ZINC000347797331 136010812 /nfs/dbraw/zinc/01/08/12/136010812.db2.gz YJCJCTQDYALESF-QFYYESIMSA-N 2 1 243.376 0.661 20 0 BCADMP C[C@@H](C[S@](C)=O)N(C)CCc1cncn1C ZINC000347797331 136010813 /nfs/dbraw/zinc/01/08/13/136010813.db2.gz YJCJCTQDYALESF-QFYYESIMSA-N 2 1 243.376 0.661 20 0 BCADMP CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000348062517 136024918 /nfs/dbraw/zinc/02/49/18/136024918.db2.gz KMOCVSLWZTYSBK-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000348062517 136024919 /nfs/dbraw/zinc/02/49/19/136024919.db2.gz KMOCVSLWZTYSBK-SRVKXCTJSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335342238 136064680 /nfs/dbraw/zinc/06/46/80/136064680.db2.gz SHGBLGQWULCCAZ-KOLCDFICSA-N 2 1 231.315 0.002 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000335376915 136085862 /nfs/dbraw/zinc/08/58/62/136085862.db2.gz DOCWDMGALSNCBK-NXEZZACHSA-N 2 1 240.351 0.082 20 0 BCADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391811 136090795 /nfs/dbraw/zinc/09/07/95/136090795.db2.gz JCURTFLEXLQYAX-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000309556254 397863271 /nfs/dbraw/zinc/86/32/71/397863271.db2.gz JUAMCINGRGSIJL-QJPTWQEYSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000309556254 397863275 /nfs/dbraw/zinc/86/32/75/397863275.db2.gz JUAMCINGRGSIJL-QJPTWQEYSA-N 2 1 228.336 0.068 20 0 BCADMP COCC[N@@H+]1CCC[C@@H]1CNCc1cn[nH]c1 ZINC000590073760 397816055 /nfs/dbraw/zinc/81/60/55/397816055.db2.gz MNSSXKUJVDQAMM-GFCCVEGCSA-N 2 1 238.335 0.610 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CNCc1cn[nH]c1 ZINC000590073760 397816057 /nfs/dbraw/zinc/81/60/57/397816057.db2.gz MNSSXKUJVDQAMM-GFCCVEGCSA-N 2 1 238.335 0.610 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C ZINC000370768137 397942407 /nfs/dbraw/zinc/94/24/07/397942407.db2.gz YMPWUUVPALFSLM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000054133115 397903350 /nfs/dbraw/zinc/90/33/50/397903350.db2.gz ZYZVXPKBBUNYFP-UHFFFAOYSA-N 2 1 213.325 0.054 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953162 398009717 /nfs/dbraw/zinc/00/97/17/398009717.db2.gz FVGXRAPNDJIGBH-JQWIXIFHSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000383241723 398009861 /nfs/dbraw/zinc/00/98/61/398009861.db2.gz CVTWQQASOWNPTL-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000383241723 398009863 /nfs/dbraw/zinc/00/98/63/398009863.db2.gz CVTWQQASOWNPTL-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000383241723 398009868 /nfs/dbraw/zinc/00/98/68/398009868.db2.gz CVTWQQASOWNPTL-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000383241723 398009870 /nfs/dbraw/zinc/00/98/70/398009870.db2.gz CVTWQQASOWNPTL-STQMWFEESA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000414670826 398013691 /nfs/dbraw/zinc/01/36/91/398013691.db2.gz NDDPGACTUJRPSF-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217835 398017119 /nfs/dbraw/zinc/01/71/19/398017119.db2.gz SVKRUPQNPAUGIM-NSHDSACASA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000383585845 398030132 /nfs/dbraw/zinc/03/01/32/398030132.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000383585845 398030133 /nfs/dbraw/zinc/03/01/33/398030133.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000383585845 398030135 /nfs/dbraw/zinc/03/01/35/398030135.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000383585845 398030136 /nfs/dbraw/zinc/03/01/36/398030136.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 2 1 244.379 0.392 20 0 BCADMP CCC[C@@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685238 398035601 /nfs/dbraw/zinc/03/56/01/398035601.db2.gz TYANTGVQVVZUNL-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000564731740 398039645 /nfs/dbraw/zinc/03/96/45/398039645.db2.gz HJYJNHBITJXNLN-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000019843092 397983547 /nfs/dbraw/zinc/98/35/47/397983547.db2.gz FSJQMAQTTLEJNB-NSHDSACASA-N 2 1 225.336 0.280 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000019843092 397983550 /nfs/dbraw/zinc/98/35/50/397983550.db2.gz FSJQMAQTTLEJNB-NSHDSACASA-N 2 1 225.336 0.280 20 0 BCADMP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000491853797 398075262 /nfs/dbraw/zinc/07/52/62/398075262.db2.gz WFCOYQRRELYSLP-QRGHLMKCSA-N 2 1 239.363 0.703 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638189579 398078961 /nfs/dbraw/zinc/07/89/61/398078961.db2.gz DFBBTKBBIQOVSC-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000414923814 398100217 /nfs/dbraw/zinc/10/02/17/398100217.db2.gz IBYRHEADMFEGAQ-FDYHWXHSSA-N 3 1 225.380 0.962 20 0 BCADMP CC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308749769 171284953 /nfs/dbraw/zinc/28/49/53/171284953.db2.gz TWAQTGKVONLSQZ-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308749769 171284955 /nfs/dbraw/zinc/28/49/55/171284955.db2.gz TWAQTGKVONLSQZ-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000389708054 398125511 /nfs/dbraw/zinc/12/55/11/398125511.db2.gz LJYQNXWRVDUPJP-KOLCDFICSA-N 2 1 208.309 0.621 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000389708066 398125540 /nfs/dbraw/zinc/12/55/40/398125540.db2.gz LJYQNXWRVDUPJP-MWLCHTKSSA-N 2 1 208.309 0.621 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979551 398134785 /nfs/dbraw/zinc/13/47/85/398134785.db2.gz UMPIJDJYPTXYLW-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484929 173344437 /nfs/dbraw/zinc/34/44/37/173344437.db2.gz ODMGFKKHXYDILT-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CCC[N@@H+](C)CC1 ZINC000037477095 167095307 /nfs/dbraw/zinc/09/53/07/167095307.db2.gz LYIXWYNDTFXRBF-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP COCC[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000300782229 174389062 /nfs/dbraw/zinc/38/90/62/174389062.db2.gz BJKJGUVTZKUINF-NSHDSACASA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413791 487567895 /nfs/dbraw/zinc/56/78/95/487567895.db2.gz ZPKQQIRBGZZKIB-NEPJUHHUSA-N 2 1 237.351 0.727 20 0 BCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCC[NH3+] ZINC000020420041 487575605 /nfs/dbraw/zinc/57/56/05/487575605.db2.gz BPDDGAUEGCPDFM-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCC[NH3+] ZINC000020420041 487575608 /nfs/dbraw/zinc/57/56/08/487575608.db2.gz BPDDGAUEGCPDFM-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)OC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336735642 167257683 /nfs/dbraw/zinc/25/76/83/167257683.db2.gz IGIUQLLYBXJURL-VXGBXAGGSA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000309000757 487605446 /nfs/dbraw/zinc/60/54/46/487605446.db2.gz LKIDAFNCZGROJT-GHMZBOCLSA-N 2 1 218.341 0.000 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000306078732 487606477 /nfs/dbraw/zinc/60/64/77/487606477.db2.gz BQRULUPVLZSYFV-GFCCVEGCSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662264484 409559195 /nfs/dbraw/zinc/55/91/95/409559195.db2.gz DORUCWICSIDDHN-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662264484 409559203 /nfs/dbraw/zinc/55/92/03/409559203.db2.gz DORUCWICSIDDHN-MNOVXSKESA-N 2 1 220.320 0.954 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662263833 409561764 /nfs/dbraw/zinc/56/17/64/409561764.db2.gz OUBKGUCVFQWMBJ-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662244608 409535211 /nfs/dbraw/zinc/53/52/11/409535211.db2.gz DVXCLIRUSCCRST-NXEZZACHSA-N 2 1 234.290 0.952 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662244608 409535218 /nfs/dbraw/zinc/53/52/18/409535218.db2.gz DVXCLIRUSCCRST-NXEZZACHSA-N 2 1 234.290 0.952 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254142 409553399 /nfs/dbraw/zinc/55/33/99/409553399.db2.gz MAYNZPWDOSAWFQ-NSHDSACASA-N 2 1 228.336 0.476 20 0 BCADMP [NH3+]CCC[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662315974 409637096 /nfs/dbraw/zinc/63/70/96/409637096.db2.gz RZRQANYCYDSPMO-UHFFFAOYSA-N 2 1 241.379 0.379 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572325 /nfs/dbraw/zinc/57/23/25/409572325.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 2 1 227.352 0.034 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572335 /nfs/dbraw/zinc/57/23/35/409572335.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 2 1 227.352 0.034 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272877 409579083 /nfs/dbraw/zinc/57/90/83/409579083.db2.gz JOEWLSQZEHOJOB-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272877 409579089 /nfs/dbraw/zinc/57/90/89/409579089.db2.gz JOEWLSQZEHOJOB-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273184 409580918 /nfs/dbraw/zinc/58/09/18/409580918.db2.gz MIMXXAMAFWSIRL-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662276407 409589516 /nfs/dbraw/zinc/58/95/16/409589516.db2.gz IKPNATXARAVSBI-SRVKXCTJSA-N 2 1 240.347 0.617 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277200 409589953 /nfs/dbraw/zinc/58/99/53/409589953.db2.gz NGYXNFMNCRDPIB-GHMZBOCLSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662276403 409590194 /nfs/dbraw/zinc/59/01/94/409590194.db2.gz IKPNATXARAVSBI-GRYCIOLGSA-N 2 1 240.347 0.617 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000662278369 409598090 /nfs/dbraw/zinc/59/80/90/409598090.db2.gz GEFFVPIVVXLGMH-RWMBFGLXSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662280893 409600883 /nfs/dbraw/zinc/60/08/83/409600883.db2.gz GWGCIFPWLORMLS-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690652 /nfs/dbraw/zinc/69/06/52/409690652.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 1 224.348 0.926 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690665 /nfs/dbraw/zinc/69/06/65/409690665.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 1 224.348 0.926 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690676 /nfs/dbraw/zinc/69/06/76/409690676.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 1 224.348 0.926 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690686 /nfs/dbraw/zinc/69/06/86/409690686.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 1 224.348 0.926 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690691 /nfs/dbraw/zinc/69/06/91/409690691.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 1 224.348 0.926 20 0 BCADMP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+](C)C1CC1 ZINC000653116858 409829547 /nfs/dbraw/zinc/82/95/47/409829547.db2.gz WMMGEGALXNUTMA-QMMMGPOBSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+](C)C1CC1 ZINC000653116858 409829554 /nfs/dbraw/zinc/82/95/54/409829554.db2.gz WMMGEGALXNUTMA-QMMMGPOBSA-N 2 1 249.305 0.569 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623650 409795390 /nfs/dbraw/zinc/79/53/90/409795390.db2.gz ZOAARWSOHPGVHG-WDEREUQCSA-N 2 1 241.379 0.959 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110456 409814997 /nfs/dbraw/zinc/81/49/97/409814997.db2.gz JCXDKWQAFURGDC-RYUDHWBXSA-N 2 1 239.363 0.444 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839040 409945977 /nfs/dbraw/zinc/94/59/77/409945977.db2.gz OUTFAHLIQAWXCU-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839719 409948278 /nfs/dbraw/zinc/94/82/78/409948278.db2.gz UCGWOIOALRTGJO-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000309170559 410268650 /nfs/dbraw/zinc/26/86/50/410268650.db2.gz AFUMDKIOMGVQIX-WDEREUQCSA-N 2 1 223.324 0.337 20 0 BCADMP [NH3+]CCC[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717268 410353385 /nfs/dbraw/zinc/35/33/85/410353385.db2.gz WCKXUZSUAOZNGN-UHFFFAOYSA-N 3 1 211.284 0.723 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000650724834 410360639 /nfs/dbraw/zinc/36/06/39/410360639.db2.gz NDDPGACTUJRPSF-SDDRHHMPSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761726 410410538 /nfs/dbraw/zinc/41/05/38/410410538.db2.gz IQGAYQZLOFWUIV-AAEUAGOBSA-N 3 1 225.380 0.964 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000300231210 410616566 /nfs/dbraw/zinc/61/65/66/410616566.db2.gz GKVZAFFYMNZIIH-HBNTYKKESA-N 2 1 230.377 0.788 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000300231210 410616571 /nfs/dbraw/zinc/61/65/71/410616571.db2.gz GKVZAFFYMNZIIH-HBNTYKKESA-N 2 1 230.377 0.788 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000393838646 410761021 /nfs/dbraw/zinc/76/10/21/410761021.db2.gz SKXRHYARPRKRQF-GHMZBOCLSA-N 2 1 244.404 0.925 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000393838646 410761027 /nfs/dbraw/zinc/76/10/27/410761027.db2.gz SKXRHYARPRKRQF-GHMZBOCLSA-N 2 1 244.404 0.925 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673672 410884616 /nfs/dbraw/zinc/88/46/16/410884616.db2.gz BEZIYXRYOQMVKT-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000665298072 410821442 /nfs/dbraw/zinc/82/14/42/410821442.db2.gz RELUJUZFKPUDRV-ZYHUDNBSSA-N 2 1 230.352 0.626 20 0 BCADMP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332697878 167032806 /nfs/dbraw/zinc/03/28/06/167032806.db2.gz LSOCAKSKBHCTGH-MXWKQRLJSA-N 2 1 225.336 0.465 20 0 BCADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037610134 167098489 /nfs/dbraw/zinc/09/84/89/167098489.db2.gz YHRGXKDFFOLXKL-NWDGAFQWSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000042409194 167103029 /nfs/dbraw/zinc/10/30/29/167103029.db2.gz KSFZDZUYEOMSSM-NSHDSACASA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000042409195 167103120 /nfs/dbraw/zinc/10/31/20/167103120.db2.gz KSFZDZUYEOMSSM-LLVKDONJSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)COCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000232636463 487619563 /nfs/dbraw/zinc/61/95/63/487619563.db2.gz NVHKLDRHPBNXFG-UHFFFAOYSA-N 2 1 243.395 0.496 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300357316 167395208 /nfs/dbraw/zinc/39/52/08/167395208.db2.gz XGJYCQVMMHGOCM-GHMZBOCLSA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300357316 167395213 /nfs/dbraw/zinc/39/52/13/167395213.db2.gz XGJYCQVMMHGOCM-GHMZBOCLSA-N 2 1 227.352 0.380 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000399658211 411054701 /nfs/dbraw/zinc/05/47/01/411054701.db2.gz OUCZUWMAPFYJRY-SRVKXCTJSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000399692547 411059573 /nfs/dbraw/zinc/05/95/73/411059573.db2.gz YMKBNQUSGLNPRO-TUAOUCFPSA-N 2 1 241.379 0.816 20 0 BCADMP COC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300046075 411078658 /nfs/dbraw/zinc/07/86/58/411078658.db2.gz UDSSFFXUTSTPSU-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538959 411137423 /nfs/dbraw/zinc/13/74/23/411137423.db2.gz BAZFUDSHGWZUKR-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP COCC[N@H+](C)C[C@H](O)CN1[C@@H](C)C[C@@H]1C ZINC000653650436 411156841 /nfs/dbraw/zinc/15/68/41/411156841.db2.gz AKMIJMGEAGZZAL-SRVKXCTJSA-N 2 1 230.352 0.408 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000069733723 411158310 /nfs/dbraw/zinc/15/83/10/411158310.db2.gz CJDCWEPOYNRMMX-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978302 411159942 /nfs/dbraw/zinc/15/99/42/411159942.db2.gz PRECWGIKYQKSBE-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000652151699 411161578 /nfs/dbraw/zinc/16/15/78/411161578.db2.gz ZYGHGHDYPXBAQC-RYUDHWBXSA-N 2 1 246.395 0.950 20 0 BCADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655949088 411161559 /nfs/dbraw/zinc/16/15/59/411161559.db2.gz MDZMOEMNMIFNIC-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCOCC1 ZINC000110909200 411121087 /nfs/dbraw/zinc/12/10/87/411121087.db2.gz VTIGKQFYVADHAI-UHFFFAOYSA-N 2 1 241.379 0.250 20 0 BCADMP [NH3+]CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655961346 411162739 /nfs/dbraw/zinc/16/27/39/411162739.db2.gz OIZUSIJMHHNVOO-GHMZBOCLSA-N 2 1 240.351 0.261 20 0 BCADMP OCC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401039841 411173210 /nfs/dbraw/zinc/17/32/10/411173210.db2.gz DFFWAIISYVORRM-IVZWLZJFSA-N 2 1 234.290 0.592 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[N@H+]1C ZINC000132955117 411177840 /nfs/dbraw/zinc/17/78/40/411177840.db2.gz IYRMOWSMMIUCEY-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111826533 411181553 /nfs/dbraw/zinc/18/15/53/411181553.db2.gz MQFPBBJKTIQJPY-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515380 411182298 /nfs/dbraw/zinc/18/22/98/411182298.db2.gz ZIDVZSMHXLZVJE-ZETCQYMHSA-N 2 1 241.257 0.332 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CS1 ZINC000655754758 411184950 /nfs/dbraw/zinc/18/49/50/411184950.db2.gz HBCMRAGNRURVHO-UTUOFQBUSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CS1 ZINC000655754758 411184952 /nfs/dbraw/zinc/18/49/52/411184952.db2.gz HBCMRAGNRURVHO-UTUOFQBUSA-N 2 1 244.404 0.927 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612129 411185598 /nfs/dbraw/zinc/18/55/98/411185598.db2.gz MWAPJSTYLWJNAH-LBPRGKRZSA-N 3 1 211.353 0.657 20 0 BCADMP Cn1cncc1CCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694545 411186111 /nfs/dbraw/zinc/18/61/11/411186111.db2.gz IZNGWFCKYXQOBG-ITGUQSILSA-N 2 1 235.331 0.523 20 0 BCADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694545 411186115 /nfs/dbraw/zinc/18/61/15/411186115.db2.gz IZNGWFCKYXQOBG-ITGUQSILSA-N 2 1 235.331 0.523 20 0 BCADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694545 411186118 /nfs/dbraw/zinc/18/61/18/411186118.db2.gz IZNGWFCKYXQOBG-ITGUQSILSA-N 2 1 235.331 0.523 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC(C(C)C)C1 ZINC000656151892 411186982 /nfs/dbraw/zinc/18/69/82/411186982.db2.gz MIJVLTYTJZPNPH-LBPRGKRZSA-N 2 1 214.353 0.887 20 0 BCADMP CCN(C)C[C@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151892 411186983 /nfs/dbraw/zinc/18/69/83/411186983.db2.gz MIJVLTYTJZPNPH-LBPRGKRZSA-N 2 1 214.353 0.887 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194178 411199490 /nfs/dbraw/zinc/19/94/90/411199490.db2.gz BSFNZJJPSPAKJV-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP CCC[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000310075120 411202089 /nfs/dbraw/zinc/20/20/89/411202089.db2.gz GBAXCBXJRMJSSG-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200265 411204511 /nfs/dbraw/zinc/20/45/11/411204511.db2.gz KPDREHRSEJMFBA-RVMXOQNASA-N 3 1 225.380 0.914 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(C)(C)OC ZINC000652338553 411204752 /nfs/dbraw/zinc/20/47/52/411204752.db2.gz WCFXQKXCWCYNSC-NSHDSACASA-N 2 1 218.341 0.314 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000652344353 411209437 /nfs/dbraw/zinc/20/94/37/411209437.db2.gz SRVCPFBUZRUTCY-TUAOUCFPSA-N 2 1 242.388 0.802 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000652344353 411209440 /nfs/dbraw/zinc/20/94/40/411209440.db2.gz SRVCPFBUZRUTCY-TUAOUCFPSA-N 2 1 242.388 0.802 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000652344350 411209461 /nfs/dbraw/zinc/20/94/61/411209461.db2.gz SRVCPFBUZRUTCY-QJPTWQEYSA-N 2 1 242.388 0.802 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000652344350 411209462 /nfs/dbraw/zinc/20/94/62/411209462.db2.gz SRVCPFBUZRUTCY-QJPTWQEYSA-N 2 1 242.388 0.802 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349252 411210987 /nfs/dbraw/zinc/21/09/87/411210987.db2.gz HVDDOKXVRZOAJX-SRVKXCTJSA-N 2 1 227.352 0.163 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349252 411210989 /nfs/dbraw/zinc/21/09/89/411210989.db2.gz HVDDOKXVRZOAJX-SRVKXCTJSA-N 2 1 227.352 0.163 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC1 ZINC000310204099 411220168 /nfs/dbraw/zinc/22/01/68/411220168.db2.gz CKMWVQHPISIJMX-RAIGVLPGSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC1 ZINC000310204099 411220171 /nfs/dbraw/zinc/22/01/71/411220171.db2.gz CKMWVQHPISIJMX-RAIGVLPGSA-N 2 1 242.363 0.192 20 0 BCADMP C[C@H](CO)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310219041 411225505 /nfs/dbraw/zinc/22/55/05/411225505.db2.gz FRHACTDBEXXNMT-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](CO)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310219041 411225508 /nfs/dbraw/zinc/22/55/08/411225508.db2.gz FRHACTDBEXXNMT-WCQYABFASA-N 2 1 244.379 0.440 20 0 BCADMP OCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655684613 411226178 /nfs/dbraw/zinc/22/61/78/411226178.db2.gz SEIPILHEZDGCKB-CYBMUJFWSA-N 2 1 242.363 0.602 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655785312 411226749 /nfs/dbraw/zinc/22/67/49/411226749.db2.gz LCYKFCIEQAMUJT-TUAOUCFPSA-N 2 1 230.352 0.456 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608431 411228461 /nfs/dbraw/zinc/22/84/61/411228461.db2.gz CUJHOWQTXNJNIM-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC1([NH3+])CCC1 ZINC000310250434 411230910 /nfs/dbraw/zinc/23/09/10/411230910.db2.gz WGWCYCGBYCOGPL-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310522576 411239842 /nfs/dbraw/zinc/23/98/42/411239842.db2.gz NXOKTUCJOJVMBE-AAEUAGOBSA-N 2 1 234.347 0.981 20 0 BCADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310522576 411239846 /nfs/dbraw/zinc/23/98/46/411239846.db2.gz NXOKTUCJOJVMBE-AAEUAGOBSA-N 2 1 234.347 0.981 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000653778990 411167791 /nfs/dbraw/zinc/16/77/91/411167791.db2.gz UUXYYTYUFJYGRW-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000653778990 411167795 /nfs/dbraw/zinc/16/77/95/411167795.db2.gz UUXYYTYUFJYGRW-YNEHKIRRSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711437 411265319 /nfs/dbraw/zinc/26/53/19/411265319.db2.gz JGMBQXVDSBVCSJ-GFCCVEGCSA-N 2 1 242.363 0.600 20 0 BCADMP CCc1[nH+]ccn1Cc1cn([C@H](C)C[NH3+])nn1 ZINC000656458348 411267669 /nfs/dbraw/zinc/26/76/69/411267669.db2.gz XBNRZHPCZMAQBN-SECBINFHSA-N 2 1 234.307 0.605 20 0 BCADMP [NH3+]CCCCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458769 411267943 /nfs/dbraw/zinc/26/79/43/411267943.db2.gz GJIRXABDWPIHOA-UHFFFAOYSA-N 2 1 247.302 0.436 20 0 BCADMP CCc1[nH+]ccn1Cc1cn([C@@H](C)C[NH3+])nn1 ZINC000656458349 411268181 /nfs/dbraw/zinc/26/81/81/411268181.db2.gz XBNRZHPCZMAQBN-VIFPVBQESA-N 2 1 234.307 0.605 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659642455 411277414 /nfs/dbraw/zinc/27/74/14/411277414.db2.gz KOVQFQPUKLEUSO-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000659642187 411277640 /nfs/dbraw/zinc/27/76/40/411277640.db2.gz JTASSOOJHGNRTL-WDEREUQCSA-N 2 1 242.367 0.330 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328074 411278492 /nfs/dbraw/zinc/27/84/92/411278492.db2.gz MCIHDRVYIHVLPG-UWVGGRQHSA-N 2 1 214.309 0.609 20 0 BCADMP CCc1[nH+]ccn1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656468173 411280846 /nfs/dbraw/zinc/28/08/46/411280846.db2.gz XADCIODRMINZRC-NSHDSACASA-N 2 1 246.318 0.620 20 0 BCADMP CCc1[nH+]ccn1Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656468171 411280922 /nfs/dbraw/zinc/28/09/22/411280922.db2.gz XADCIODRMINZRC-LLVKDONJSA-N 2 1 246.318 0.620 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000401689428 411283634 /nfs/dbraw/zinc/28/36/34/411283634.db2.gz ZQHUBXRWWXJCSZ-VHSXEESVSA-N 2 1 209.293 0.730 20 0 BCADMP NC(=O)C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000051889780 411284530 /nfs/dbraw/zinc/28/45/30/411284530.db2.gz NDDBNNUFNWUHBP-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000051889780 411284533 /nfs/dbraw/zinc/28/45/33/411284533.db2.gz NDDBNNUFNWUHBP-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CCC[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889754 411285475 /nfs/dbraw/zinc/28/54/75/411285475.db2.gz JDEAINBFTLYSDT-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CCC[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889754 411285477 /nfs/dbraw/zinc/28/54/77/411285477.db2.gz JDEAINBFTLYSDT-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP [NH3+]Cc1noc(-c2cc3c(s2)CC[NH2+]C3)n1 ZINC000656561677 411301998 /nfs/dbraw/zinc/30/19/98/411301998.db2.gz CSYDCWOLQKQKTA-UHFFFAOYSA-N 2 1 236.300 0.903 20 0 BCADMP CC(C)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309416453 411307122 /nfs/dbraw/zinc/30/71/22/411307122.db2.gz KWCDSOTWQQRUAX-VXGBXAGGSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309416453 411307123 /nfs/dbraw/zinc/30/71/23/411307123.db2.gz KWCDSOTWQQRUAX-VXGBXAGGSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@@H]1C[NH2+]CCO1 ZINC000656611426 411309780 /nfs/dbraw/zinc/30/97/80/411309780.db2.gz HPRMOQSROYEEFI-UWVGGRQHSA-N 2 1 225.292 0.346 20 0 BCADMP C[N@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558991 411324421 /nfs/dbraw/zinc/32/44/21/411324421.db2.gz BSKDXALCLPVHSQ-CHWSQXEVSA-N 2 1 241.379 0.127 20 0 BCADMP C[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558998 411324472 /nfs/dbraw/zinc/32/44/72/411324472.db2.gz BSKDXALCLPVHSQ-STQMWFEESA-N 2 1 241.379 0.127 20 0 BCADMP C[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698642 411248911 /nfs/dbraw/zinc/24/89/11/411248911.db2.gz QEGCTFDNWMGSCA-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP [NH3+]CCCCn1cc(C[NH+]2CCCC2)nn1 ZINC000656439538 411257755 /nfs/dbraw/zinc/25/77/55/411257755.db2.gz VVHNHNRSWZOZEL-UHFFFAOYSA-N 2 1 223.324 0.613 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C\CO)[C@@H](C)C1 ZINC000658135610 411260725 /nfs/dbraw/zinc/26/07/25/411260725.db2.gz UHAWPVWOXSSODP-DFPOMNKCSA-N 2 1 212.337 0.855 20 0 BCADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217432304 411373442 /nfs/dbraw/zinc/37/34/42/411373442.db2.gz IXIHMSBWESZINM-QWRGUYRKSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@]12COC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656791687 411370421 /nfs/dbraw/zinc/37/04/21/411370421.db2.gz IYGGKPWJSGSTBD-QWHCGFSZSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656790897 411370916 /nfs/dbraw/zinc/37/09/16/411370916.db2.gz CGXWJBMYLJETTH-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000656710667 411337047 /nfs/dbraw/zinc/33/70/47/411337047.db2.gz LGXWUHOQJNZEJX-UPJWGTAASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000656710667 411337050 /nfs/dbraw/zinc/33/70/50/411337050.db2.gz LGXWUHOQJNZEJX-UPJWGTAASA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccoc1)C1CC1 ZINC000656714636 411337930 /nfs/dbraw/zinc/33/79/30/411337930.db2.gz QHYHUNGLDHGDJZ-CYBMUJFWSA-N 2 1 238.331 0.867 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792169 411372371 /nfs/dbraw/zinc/37/23/71/411372371.db2.gz OWDUBPXHSPHORS-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC1CCN(C(=[NH2+])NCC[NH+](C)C)CC1 ZINC000340032774 168171085 /nfs/dbraw/zinc/17/10/85/168171085.db2.gz GGUSCDNJCVKKPX-UHFFFAOYSA-N 2 1 212.341 0.804 20 0 BCADMP CC1CC[NH+](CC(=O)NCC[NH+]2CCC2)CC1 ZINC000337583494 168178104 /nfs/dbraw/zinc/17/81/04/168178104.db2.gz DCMIADMJPZNXRN-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287051 411388610 /nfs/dbraw/zinc/38/86/10/411388610.db2.gz INJNLMXMRQCMAQ-RYUDHWBXSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)[C@@H]1CC[NH3+] ZINC000404290054 411388702 /nfs/dbraw/zinc/38/87/02/411388702.db2.gz KMBOVXRIVWFLFR-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)[C@@H]1CC[NH3+] ZINC000404290054 411388705 /nfs/dbraw/zinc/38/87/05/411388705.db2.gz KMBOVXRIVWFLFR-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000654407810 411390735 /nfs/dbraw/zinc/39/07/35/411390735.db2.gz UNKSTXJVJZGIHC-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404274341 411387649 /nfs/dbraw/zinc/38/76/49/411387649.db2.gz AGDRLJLLPLQPKX-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404274341 411387652 /nfs/dbraw/zinc/38/76/52/411387652.db2.gz AGDRLJLLPLQPKX-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163219111 168290569 /nfs/dbraw/zinc/29/05/69/168290569.db2.gz RKCMJLMYYJVBQO-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163219111 168290571 /nfs/dbraw/zinc/29/05/71/168290571.db2.gz RKCMJLMYYJVBQO-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249239 168293930 /nfs/dbraw/zinc/29/39/30/168293930.db2.gz WFILDPGXIYGOCM-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249239 168293933 /nfs/dbraw/zinc/29/39/33/168293933.db2.gz WFILDPGXIYGOCM-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP c1ncn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000336692263 411400693 /nfs/dbraw/zinc/40/06/93/411400693.db2.gz HNICZKBJVWECNU-RYUDHWBXSA-N 2 1 235.335 0.495 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659456776 411417224 /nfs/dbraw/zinc/41/72/24/411417224.db2.gz SFSIYPAFPMCLNH-NXEZZACHSA-N 2 1 240.351 0.130 20 0 BCADMP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126909412 411462245 /nfs/dbraw/zinc/46/22/45/411462245.db2.gz HDERSVDKSVEONN-BXKDBHETSA-N 2 1 249.314 0.173 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653566730 411423705 /nfs/dbraw/zinc/42/37/05/411423705.db2.gz HMGLUCFNGJQXNG-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653566730 411423709 /nfs/dbraw/zinc/42/37/09/411423709.db2.gz HMGLUCFNGJQXNG-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000653566730 411423711 /nfs/dbraw/zinc/42/37/11/411423711.db2.gz HMGLUCFNGJQXNG-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000653566730 411423714 /nfs/dbraw/zinc/42/37/14/411423714.db2.gz HMGLUCFNGJQXNG-NWDGAFQWSA-N 2 1 230.352 0.002 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515458 411426010 /nfs/dbraw/zinc/42/60/10/411426010.db2.gz UJDHXQOTHHVWMT-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CO ZINC000653587854 411427644 /nfs/dbraw/zinc/42/76/44/411427644.db2.gz WFZSSUZUULPKHP-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CO ZINC000653587854 411427647 /nfs/dbraw/zinc/42/76/47/411427647.db2.gz WFZSSUZUULPKHP-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000653587854 411427650 /nfs/dbraw/zinc/42/76/50/411427650.db2.gz WFZSSUZUULPKHP-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000653587854 411427651 /nfs/dbraw/zinc/42/76/51/411427651.db2.gz WFZSSUZUULPKHP-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612976 411439874 /nfs/dbraw/zinc/43/98/74/411439874.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000653612976 411439875 /nfs/dbraw/zinc/43/98/75/411439875.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000653612976 411439877 /nfs/dbraw/zinc/43/98/77/411439877.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836128 411442256 /nfs/dbraw/zinc/44/22/56/411442256.db2.gz CPIRZLKZGHWYMD-IJLUTSLNSA-N 2 1 228.336 0.319 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632233 411451742 /nfs/dbraw/zinc/45/17/42/411451742.db2.gz LJFKXYHUHQQDPS-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632233 411451745 /nfs/dbraw/zinc/45/17/45/411451745.db2.gz LJFKXYHUHQQDPS-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632233 411451748 /nfs/dbraw/zinc/45/17/48/411451748.db2.gz LJFKXYHUHQQDPS-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000653632233 411451751 /nfs/dbraw/zinc/45/17/51/411451751.db2.gz LJFKXYHUHQQDPS-RNJOBUHISA-N 2 1 244.379 0.533 20 0 BCADMP COC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000659947059 411507193 /nfs/dbraw/zinc/50/71/93/411507193.db2.gz JNUUQPXCHKVTJB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000659947059 411507194 /nfs/dbraw/zinc/50/71/94/411507194.db2.gz JNUUQPXCHKVTJB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000659947059 411507196 /nfs/dbraw/zinc/50/71/96/411507196.db2.gz JNUUQPXCHKVTJB-STQMWFEESA-N 2 1 244.379 0.921 20 0 BCADMP CC[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438028 411510521 /nfs/dbraw/zinc/51/05/21/411510521.db2.gz YPWIEMVJIAPBIR-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438028 411510522 /nfs/dbraw/zinc/51/05/22/411510522.db2.gz YPWIEMVJIAPBIR-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544197 411512354 /nfs/dbraw/zinc/51/23/54/411512354.db2.gz QYVQZXZWNALZMO-UFFNRZRYSA-N 2 1 240.351 0.285 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547117 411517252 /nfs/dbraw/zinc/51/72/52/411517252.db2.gz AUTZHMRIFXFOFZ-WDEREUQCSA-N 2 1 242.367 0.507 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522498 /nfs/dbraw/zinc/52/24/98/411522498.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522501 /nfs/dbraw/zinc/52/25/01/411522501.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522503 /nfs/dbraw/zinc/52/25/03/411522503.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522506 /nfs/dbraw/zinc/52/25/06/411522506.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 2 1 244.379 0.390 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527627 /nfs/dbraw/zinc/52/76/27/411527627.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527630 /nfs/dbraw/zinc/52/76/30/411527630.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527632 /nfs/dbraw/zinc/52/76/32/411527632.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527635 /nfs/dbraw/zinc/52/76/35/411527635.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527636 /nfs/dbraw/zinc/52/76/36/411527636.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527639 /nfs/dbraw/zinc/52/76/39/411527639.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527642 /nfs/dbraw/zinc/52/76/42/411527642.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 1 249.362 0.763 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000107895347 170005778 /nfs/dbraw/zinc/00/57/78/170005778.db2.gz BFPXIUNGBSCZAX-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C)C1 ZINC000043604466 170006084 /nfs/dbraw/zinc/00/60/84/170006084.db2.gz DRJDPMBJHMXCAH-JTQLQIEISA-N 2 1 213.325 0.054 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000037484287 170007925 /nfs/dbraw/zinc/00/79/25/170007925.db2.gz HUKCMWCTRUMOSU-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000037484287 170007927 /nfs/dbraw/zinc/00/79/27/170007927.db2.gz HUKCMWCTRUMOSU-NSHDSACASA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018849 /nfs/dbraw/zinc/01/88/49/170018849.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018850 /nfs/dbraw/zinc/01/88/50/170018850.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018851 /nfs/dbraw/zinc/01/88/51/170018851.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000335150593 170019131 /nfs/dbraw/zinc/01/91/31/170019131.db2.gz OEUYKNPUPCSGPY-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000335150593 170019133 /nfs/dbraw/zinc/01/91/33/170019133.db2.gz OEUYKNPUPCSGPY-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000335150593 170019134 /nfs/dbraw/zinc/01/91/34/170019134.db2.gz OEUYKNPUPCSGPY-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)[C@@H](C)C1 ZINC000358224507 170021237 /nfs/dbraw/zinc/02/12/37/170021237.db2.gz QXQUBJFMKFFZSZ-AVGNSLFASA-N 2 1 242.363 0.722 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000358085615 170021808 /nfs/dbraw/zinc/02/18/08/170021808.db2.gz NTHMCWPTDSBWTI-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000309910795 170022007 /nfs/dbraw/zinc/02/20/07/170022007.db2.gz MRXNRUVLSHJQLF-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000358085527 170022226 /nfs/dbraw/zinc/02/22/26/170022226.db2.gz NTHMCWPTDSBWTI-SRVKXCTJSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH3+] ZINC000236848631 170024727 /nfs/dbraw/zinc/02/47/27/170024727.db2.gz NUKYWWHKAQYZBZ-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000332639670 170040419 /nfs/dbraw/zinc/04/04/19/170040419.db2.gz AMCSLWQRJGQBFH-OPRDCNLKSA-N 2 1 211.309 0.077 20 0 BCADMP CCNC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377267892 170049734 /nfs/dbraw/zinc/04/97/34/170049734.db2.gz QYOUSKRVDMSDRP-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000051919231 170056334 /nfs/dbraw/zinc/05/63/34/170056334.db2.gz RTBAJZBKEZPLQH-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000006651228 170094862 /nfs/dbraw/zinc/09/48/62/170094862.db2.gz WIFMIFWPDBQTCC-NSHDSACASA-N 2 1 241.379 0.973 20 0 BCADMP OC/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657592715 411556488 /nfs/dbraw/zinc/55/64/88/411556488.db2.gz ALZXOXMCSGWKFT-HHDBNCKJSA-N 2 1 210.321 0.751 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126936983 170271824 /nfs/dbraw/zinc/27/18/24/170271824.db2.gz FMWGIKWPQRPTRV-DCAQKATOSA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126936983 170271825 /nfs/dbraw/zinc/27/18/25/170271825.db2.gz FMWGIKWPQRPTRV-DCAQKATOSA-N 2 1 228.336 0.997 20 0 BCADMP CC[C@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660333150 411570892 /nfs/dbraw/zinc/57/08/92/411570892.db2.gz GCMMRDWCTFJOLE-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660333150 411570893 /nfs/dbraw/zinc/57/08/93/411570893.db2.gz GCMMRDWCTFJOLE-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660333150 411570895 /nfs/dbraw/zinc/57/08/95/411570895.db2.gz GCMMRDWCTFJOLE-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660333150 411570896 /nfs/dbraw/zinc/57/08/96/411570896.db2.gz GCMMRDWCTFJOLE-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000332485993 170331035 /nfs/dbraw/zinc/33/10/35/170331035.db2.gz WPNFTZSPWDWLIB-GMKTYKIGSA-N 2 1 242.363 0.504 20 0 BCADMP CCOCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000011892059 170375103 /nfs/dbraw/zinc/37/51/03/170375103.db2.gz CWDFEWQFMASIDS-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CCOCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336680198 170375433 /nfs/dbraw/zinc/37/54/33/170375433.db2.gz IXHADOCFGBJOSQ-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1ccnn1C ZINC000660778733 411626997 /nfs/dbraw/zinc/62/69/97/411626997.db2.gz LLYGYDAMYWOMFX-NSHDSACASA-N 2 1 249.318 0.248 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1ccnn1C ZINC000660778732 411627690 /nfs/dbraw/zinc/62/76/90/411627690.db2.gz LLYGYDAMYWOMFX-LLVKDONJSA-N 2 1 249.318 0.248 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657842079 411610467 /nfs/dbraw/zinc/61/04/67/411610467.db2.gz TUWHFBAHOBWZOI-NWDGAFQWSA-N 2 1 237.351 0.598 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cn1cncn1 ZINC000657865051 411613389 /nfs/dbraw/zinc/61/33/89/411613389.db2.gz UWOCKBJNQUOEOT-JTQLQIEISA-N 2 1 234.307 0.461 20 0 BCADMP C([N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494289 411672962 /nfs/dbraw/zinc/67/29/62/411672962.db2.gz NJAFIEPGRQASNG-CBBWQLFWSA-N 3 1 249.402 0.917 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000663494279 411673043 /nfs/dbraw/zinc/67/30/43/411673043.db2.gz NHQLUCASYGAOOO-AAVRWANBSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000663494279 411673048 /nfs/dbraw/zinc/67/30/48/411673048.db2.gz NHQLUCASYGAOOO-AAVRWANBSA-N 2 1 237.391 0.916 20 0 BCADMP [NH3+]Cc1ccc(CNC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663498412 411681761 /nfs/dbraw/zinc/68/17/61/411681761.db2.gz SLVZFTPVRSNXMP-ZIAGYGMSSA-N 2 1 231.343 0.844 20 0 BCADMP CC(C)NC(=O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663501778 411686546 /nfs/dbraw/zinc/68/65/46/411686546.db2.gz AQAYVLZKXGGZBD-NSHDSACASA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663501778 411686549 /nfs/dbraw/zinc/68/65/49/411686549.db2.gz AQAYVLZKXGGZBD-NSHDSACASA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000663512044 411694387 /nfs/dbraw/zinc/69/43/87/411694387.db2.gz DWCPPEGRLUPPKY-SRVKXCTJSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512204 411695890 /nfs/dbraw/zinc/69/58/90/411695890.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@H]1C[C@@H](CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512204 411695895 /nfs/dbraw/zinc/69/58/95/411695895.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 2 1 239.363 0.049 20 0 BCADMP c1cc(N[C@@H]2CC[NH2+]C2)nc(N2CCCCC2)[nH+]1 ZINC000333484708 411702937 /nfs/dbraw/zinc/70/29/37/411702937.db2.gz FYSXYAIAGPDQNL-LLVKDONJSA-N 2 1 247.346 1.241 20 0 BCADMP c1cn(CC[N@H+]2CC[C@H](Cn3ccnn3)C2)cn1 ZINC000661145415 411719313 /nfs/dbraw/zinc/71/93/13/411719313.db2.gz LLZBEWFWTTWJHM-LBPRGKRZSA-N 2 1 246.318 0.497 20 0 BCADMP C[C@@H](O)CNc1cc(NC[C@H](C)[NH3+])nc[nH+]1 ZINC000634808915 411832467 /nfs/dbraw/zinc/83/24/67/411832467.db2.gz GNBYJJOHLFCVJA-JGVFFNPUSA-N 2 1 225.296 0.028 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546835 411888868 /nfs/dbraw/zinc/88/88/68/411888868.db2.gz DEKNDINNIVYTJB-NSHDSACASA-N 2 1 234.347 1.142 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661825165 411892845 /nfs/dbraw/zinc/89/28/45/411892845.db2.gz CXJWGHHGLYJNDE-NWDGAFQWSA-N 2 1 235.331 0.856 20 0 BCADMP C[NH+](C)CCC[N@H+](C)CCNc1cnccn1 ZINC000664247338 411898289 /nfs/dbraw/zinc/89/82/89/411898289.db2.gz KFOFEEPTQZUEQR-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP C[NH+](C)CCC[N@@H+](C)CCNc1cnccn1 ZINC000664247338 411898293 /nfs/dbraw/zinc/89/82/93/411898293.db2.gz KFOFEEPTQZUEQR-UHFFFAOYSA-N 2 1 237.351 0.772 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647485447 411900524 /nfs/dbraw/zinc/90/05/24/411900524.db2.gz ZOYGIBRWUFQEQS-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647485447 411900528 /nfs/dbraw/zinc/90/05/28/411900528.db2.gz ZOYGIBRWUFQEQS-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000564988156 411901479 /nfs/dbraw/zinc/90/14/79/411901479.db2.gz SYKTUPOJULSDDU-GFCCVEGCSA-N 2 1 234.347 1.095 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000564988156 411901485 /nfs/dbraw/zinc/90/14/85/411901485.db2.gz SYKTUPOJULSDDU-GFCCVEGCSA-N 2 1 234.347 1.095 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2cnc(N)s2)C[C@@H]1C[NH3+] ZINC000415121387 411906974 /nfs/dbraw/zinc/90/69/74/411906974.db2.gz GZKOTZGVOFPUCS-BDAKNGLRSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1C[NH3+] ZINC000415121387 411906976 /nfs/dbraw/zinc/90/69/76/411906976.db2.gz GZKOTZGVOFPUCS-BDAKNGLRSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(N)c1 ZINC000565959698 411912078 /nfs/dbraw/zinc/91/20/78/411912078.db2.gz RSOVYTQTVMLEDM-MWLCHTKSSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(N)c1 ZINC000565959698 411912083 /nfs/dbraw/zinc/91/20/83/411912083.db2.gz RSOVYTQTVMLEDM-MWLCHTKSSA-N 2 1 220.320 0.975 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647536720 411917250 /nfs/dbraw/zinc/91/72/50/411917250.db2.gz ZRYWHCMFLDMAAH-LBPRGKRZSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647536720 411917252 /nfs/dbraw/zinc/91/72/52/411917252.db2.gz ZRYWHCMFLDMAAH-LBPRGKRZSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647551708 411928255 /nfs/dbraw/zinc/92/82/55/411928255.db2.gz DYWWJDMDPPSSEX-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000564989879 411930627 /nfs/dbraw/zinc/93/06/27/411930627.db2.gz XSSHXCUUFCFUNR-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000564989879 411930632 /nfs/dbraw/zinc/93/06/32/411930632.db2.gz XSSHXCUUFCFUNR-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N)s1 ZINC000381645287 411931591 /nfs/dbraw/zinc/93/15/91/411931591.db2.gz BLUGMHPWHPZWJW-JGVFFNPUSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N)s1 ZINC000381645287 411931594 /nfs/dbraw/zinc/93/15/94/411931594.db2.gz BLUGMHPWHPZWJW-JGVFFNPUSA-N 2 1 226.349 1.037 20 0 BCADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)s2)CC[NH2+]1 ZINC000516867309 411932197 /nfs/dbraw/zinc/93/21/97/411932197.db2.gz QHWWBUXKOSTZLQ-JGVFFNPUSA-N 2 1 226.349 0.955 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccnc(N)c1 ZINC000420321802 411877290 /nfs/dbraw/zinc/87/72/90/411877290.db2.gz RWAKSOOMFXWFIQ-GFCCVEGCSA-N 2 1 222.336 1.127 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000567471938 411882742 /nfs/dbraw/zinc/88/27/42/411882742.db2.gz BGIMOSNHGBPREL-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000381346547 411884120 /nfs/dbraw/zinc/88/41/20/411884120.db2.gz ZDTGUNNQWOUDDW-HTQZYQBOSA-N 2 1 226.349 0.894 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219972975 412009805 /nfs/dbraw/zinc/00/98/05/412009805.db2.gz HVGIAZIOVOLLQG-ZYHUDNBSSA-N 2 1 241.379 0.959 20 0 BCADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH3+] ZINC000664721545 412014388 /nfs/dbraw/zinc/01/43/88/412014388.db2.gz SCDFJOFSYXDNTJ-VIFPVBQESA-N 2 1 215.341 0.570 20 0 BCADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238798 412033965 /nfs/dbraw/zinc/03/39/65/412033965.db2.gz WQPDXWGNVAMNPG-GFCCVEGCSA-N 3 1 239.363 0.191 20 0 BCADMP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238798 412033970 /nfs/dbraw/zinc/03/39/70/412033970.db2.gz WQPDXWGNVAMNPG-GFCCVEGCSA-N 2 1 239.363 0.191 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])OC ZINC000662243396 412035890 /nfs/dbraw/zinc/03/58/90/412035890.db2.gz CTWDQCVFSMPNMT-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])OC ZINC000662243396 412035895 /nfs/dbraw/zinc/03/58/95/412035895.db2.gz CTWDQCVFSMPNMT-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000662242983 412037508 /nfs/dbraw/zinc/03/75/08/412037508.db2.gz GIZWZIQLLSRUSK-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000662242983 412037509 /nfs/dbraw/zinc/03/75/09/412037509.db2.gz GIZWZIQLLSRUSK-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP CN1CCC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000662241449 412037846 /nfs/dbraw/zinc/03/78/46/412037846.db2.gz STVZIVAHEJTMPB-SNVBAGLBSA-N 2 1 211.309 0.030 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+])OC ZINC000662244065 412039371 /nfs/dbraw/zinc/03/93/71/412039371.db2.gz GEQNHQCXQFRMKQ-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+])OC ZINC000662244065 412039373 /nfs/dbraw/zinc/03/93/73/412039373.db2.gz GEQNHQCXQFRMKQ-GRYCIOLGSA-N 2 1 230.352 0.707 20 0 BCADMP CCc1nc([C@@H](C)N2CC[C@H](C[NH3+])C2)n[nH]1 ZINC000662245153 412041868 /nfs/dbraw/zinc/04/18/68/412041868.db2.gz RQDUMKQZQDCGRA-RKDXNWHRSA-N 2 1 223.324 0.709 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662246820 412042508 /nfs/dbraw/zinc/04/25/08/412042508.db2.gz SGNLQJUUPGTLEL-IUCAKERBSA-N 2 1 220.263 0.691 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662246411 412042584 /nfs/dbraw/zinc/04/25/84/412042584.db2.gz RTXGKQTZSMIMQP-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251902 412048313 /nfs/dbraw/zinc/04/83/13/412048313.db2.gz GMYSHVYSBBGNHE-NSHDSACASA-N 2 1 210.321 0.849 20 0 BCADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251541 412049173 /nfs/dbraw/zinc/04/91/73/412049173.db2.gz DXWATNYALRASBP-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254360 412049387 /nfs/dbraw/zinc/04/93/87/412049387.db2.gz HOCGWMVMCKKYEP-WDEREUQCSA-N 2 1 228.336 0.210 20 0 BCADMP CC1(C)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662251593 412049666 /nfs/dbraw/zinc/04/96/66/412049666.db2.gz FZNMNHOTPZAYFK-NSHDSACASA-N 2 1 240.347 0.618 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662251593 412049669 /nfs/dbraw/zinc/04/96/69/412049669.db2.gz FZNMNHOTPZAYFK-NSHDSACASA-N 2 1 240.347 0.618 20 0 BCADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252892 412050339 /nfs/dbraw/zinc/05/03/39/412050339.db2.gz RBCOLDAPXSKGOJ-RYUDHWBXSA-N 2 1 240.347 0.618 20 0 BCADMP CO[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255425 412051028 /nfs/dbraw/zinc/05/10/28/412051028.db2.gz PFSKCWWATUSCIN-QWRGUYRKSA-N 2 1 226.320 0.228 20 0 BCADMP CCC[N@@H+](C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662262971 412053089 /nfs/dbraw/zinc/05/30/89/412053089.db2.gz JHYBAJFGQQRVQS-ZDUSSCGKSA-N 2 1 241.379 0.439 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CNCCO3)C[C@H]21 ZINC000662267516 412060314 /nfs/dbraw/zinc/06/03/14/412060314.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 2 1 239.363 0.034 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267516 412060319 /nfs/dbraw/zinc/06/03/19/412060319.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 2 1 239.363 0.034 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)OC ZINC000662265828 412058097 /nfs/dbraw/zinc/05/80/97/412058097.db2.gz JDGOFYFVTZNIDP-RVMXOQNASA-N 2 1 242.363 0.707 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)CC[C@H]1[NH3+] ZINC000662269804 412061099 /nfs/dbraw/zinc/06/10/99/412061099.db2.gz FRDNNVSTZYVLIB-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)CC[C@H]1[NH3+] ZINC000662269804 412061103 /nfs/dbraw/zinc/06/11/03/412061103.db2.gz FRDNNVSTZYVLIB-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272322 412064055 /nfs/dbraw/zinc/06/40/55/412064055.db2.gz DXYGLPDYHBSQGG-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662273758 412064880 /nfs/dbraw/zinc/06/48/80/412064880.db2.gz ZWGJNEINKKNYRM-VXGBXAGGSA-N 2 1 227.352 0.036 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000353473815 171148799 /nfs/dbraw/zinc/14/87/99/171148799.db2.gz VOXBXTADWROICB-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000662278650 412070659 /nfs/dbraw/zinc/07/06/59/412070659.db2.gz ZYUKLVUNZWOBAI-DTWKUNHWSA-N 2 1 224.295 0.919 20 0 BCADMP CCCCOCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285654 412077571 /nfs/dbraw/zinc/07/75/71/412077571.db2.gz KUQVBWIWIJCLAO-UHFFFAOYSA-N 2 1 230.352 0.507 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)[C@@H]1CC[NH3+] ZINC000662286631 412077601 /nfs/dbraw/zinc/07/76/01/412077601.db2.gz SMBWFADGKKPOLA-JHJVBQTASA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286631 412077604 /nfs/dbraw/zinc/07/76/04/412077604.db2.gz SMBWFADGKKPOLA-JHJVBQTASA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000352777701 171226091 /nfs/dbraw/zinc/22/60/91/171226091.db2.gz CJIBLTLEKYNYSN-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000352777701 171226092 /nfs/dbraw/zinc/22/60/92/171226092.db2.gz CJIBLTLEKYNYSN-SDDRHHMPSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000126463529 171229110 /nfs/dbraw/zinc/22/91/10/171229110.db2.gz CBUDERRNLUKJAS-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[C@@H]1C[N@H+](CCN(C)CC(C)(C)[NH3+])CCO1 ZINC000662294756 412082794 /nfs/dbraw/zinc/08/27/94/412082794.db2.gz MPAFHDKOROYGGA-LLVKDONJSA-N 2 1 229.368 0.376 20 0 BCADMP C[C@@H]1C[N@@H+](CCN(C)CC(C)(C)[NH3+])CCO1 ZINC000662294756 412082797 /nfs/dbraw/zinc/08/27/97/412082797.db2.gz MPAFHDKOROYGGA-LLVKDONJSA-N 2 1 229.368 0.376 20 0 BCADMP CCN(C)C(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662296053 412084007 /nfs/dbraw/zinc/08/40/07/412084007.db2.gz VRQJYPLGAIEUGR-UHFFFAOYSA-N 2 1 215.341 0.524 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662296053 412084010 /nfs/dbraw/zinc/08/40/10/412084010.db2.gz VRQJYPLGAIEUGR-UHFFFAOYSA-N 2 1 215.341 0.524 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCC[NH2+]C ZINC000226396403 171306847 /nfs/dbraw/zinc/30/68/47/171306847.db2.gz MAHYQLDDQLGGRV-NSHDSACASA-N 2 1 229.368 0.833 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226396830 171307123 /nfs/dbraw/zinc/30/71/23/171307123.db2.gz PTMDGJNBUHZJNS-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP COC[C@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC000662295380 412084671 /nfs/dbraw/zinc/08/46/71/412084671.db2.gz QRJJWLAMYDPAKB-VIFPVBQESA-N 2 1 204.314 0.317 20 0 BCADMP COC[C@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC000662295380 412084676 /nfs/dbraw/zinc/08/46/76/412084676.db2.gz QRJJWLAMYDPAKB-VIFPVBQESA-N 2 1 204.314 0.317 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988937 171325111 /nfs/dbraw/zinc/32/51/11/171325111.db2.gz NEMHTLDGFULRLU-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988937 171325114 /nfs/dbraw/zinc/32/51/14/171325114.db2.gz NEMHTLDGFULRLU-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249194 171335143 /nfs/dbraw/zinc/33/51/43/171335143.db2.gz KXURTFVAKGBCAT-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249194 171335145 /nfs/dbraw/zinc/33/51/45/171335145.db2.gz KXURTFVAKGBCAT-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP NCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291946 412081944 /nfs/dbraw/zinc/08/19/44/412081944.db2.gz AUUTVTWYXJKPGA-LBPRGKRZSA-N 2 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291946 412081946 /nfs/dbraw/zinc/08/19/46/412081946.db2.gz AUUTVTWYXJKPGA-LBPRGKRZSA-N 2 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291946 412081950 /nfs/dbraw/zinc/08/19/50/412081950.db2.gz AUUTVTWYXJKPGA-LBPRGKRZSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291946 412081953 /nfs/dbraw/zinc/08/19/53/412081953.db2.gz AUUTVTWYXJKPGA-LBPRGKRZSA-N 3 1 211.353 0.657 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000336715702 171371153 /nfs/dbraw/zinc/37/11/53/171371153.db2.gz SVHDKPNANVMOBR-GXSJLCMTSA-N 2 1 238.335 0.681 20 0 BCADMP Cn1cc(CC[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC000662293852 412082442 /nfs/dbraw/zinc/08/24/42/412082442.db2.gz WKHOMUFGWZMCFA-UHFFFAOYSA-N 2 1 210.325 0.632 20 0 BCADMP Cn1cc(CC[N@@H+](C)CC(C)(C)[NH3+])cn1 ZINC000662293852 412082445 /nfs/dbraw/zinc/08/24/45/412082445.db2.gz WKHOMUFGWZMCFA-UHFFFAOYSA-N 2 1 210.325 0.632 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467844 171394415 /nfs/dbraw/zinc/39/44/15/171394415.db2.gz MIRHUBURNMQKPO-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000662386495 412140205 /nfs/dbraw/zinc/14/02/05/412140205.db2.gz BBJPZVZGALLNLK-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000662301228 412086567 /nfs/dbraw/zinc/08/65/67/412086567.db2.gz PMDRXCVYXFLKDJ-MNOVXSKESA-N 2 1 200.326 0.818 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCO ZINC000662302931 412088071 /nfs/dbraw/zinc/08/80/71/412088071.db2.gz QMLUUTBUZRWVHJ-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CC2CC1(C[NH3+])C2 ZINC000662304800 412090208 /nfs/dbraw/zinc/09/02/08/412090208.db2.gz BUGGFUHYJXSQBP-HIFPTAJRSA-N 2 1 239.363 0.130 20 0 BCADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000662313084 412094027 /nfs/dbraw/zinc/09/40/27/412094027.db2.gz JJMMYVCFEMSZGZ-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000662390108 412141890 /nfs/dbraw/zinc/14/18/90/412141890.db2.gz IBDKYBYFDNYUHY-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP N[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323116 412100055 /nfs/dbraw/zinc/10/00/55/412100055.db2.gz LCQGUXDOBUDULH-IJLUTSLNSA-N 2 1 229.343 0.747 20 0 BCADMP [NH3+][C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323116 412100059 /nfs/dbraw/zinc/10/00/59/412100059.db2.gz LCQGUXDOBUDULH-IJLUTSLNSA-N 2 1 229.343 0.747 20 0 BCADMP C[C@@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321714 412100685 /nfs/dbraw/zinc/10/06/85/412100685.db2.gz CRJOGDMASSNAPS-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321710 412100854 /nfs/dbraw/zinc/10/08/54/412100854.db2.gz CRJOGDMASSNAPS-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H](CO)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326024 412102106 /nfs/dbraw/zinc/10/21/06/412102106.db2.gz TXWYNAVTOWDUGV-OLZOCXBDSA-N 2 1 244.379 0.657 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662332460 412106165 /nfs/dbraw/zinc/10/61/65/412106165.db2.gz WDQNDNVLTIOYIX-JQWIXIFHSA-N 2 1 214.353 0.935 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+](C)CCOC ZINC000662383377 412136540 /nfs/dbraw/zinc/13/65/40/412136540.db2.gz YXFJEZDDNAERGK-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP C[C@H]([NH2+]C/C=C\CO)c1c[nH+]ccc1N ZINC000665239122 412178964 /nfs/dbraw/zinc/17/89/64/412178964.db2.gz MFQVMMDUBPSXSL-XADBCAIWSA-N 2 1 207.277 0.693 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000662450912 412179696 /nfs/dbraw/zinc/17/96/96/412179696.db2.gz FLZWTPUXXBEIAS-RYUDHWBXSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCSCC1 ZINC000662457974 412181598 /nfs/dbraw/zinc/18/15/98/412181598.db2.gz OGGICLFMUDQHMH-SNVBAGLBSA-N 2 1 245.392 0.149 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000662453971 412182069 /nfs/dbraw/zinc/18/20/69/412182069.db2.gz HCKPOKDXHKBQMI-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000662474102 412188167 /nfs/dbraw/zinc/18/81/67/412188167.db2.gz UCAQWJLEAIWFEK-SRVKXCTJSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000662474330 412188341 /nfs/dbraw/zinc/18/83/41/412188341.db2.gz ZAILDWFIQHJNQY-OUAUKWLOSA-N 2 1 227.352 0.535 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000662474233 412188635 /nfs/dbraw/zinc/18/86/35/412188635.db2.gz VUPQQLQWZMNQFA-VWYCJHECSA-N 2 1 227.352 0.393 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCCOC ZINC000662477287 412189684 /nfs/dbraw/zinc/18/96/84/412189684.db2.gz XPJXVBUGVWBDNI-NSHDSACASA-N 2 1 245.367 0.069 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000662497431 412194565 /nfs/dbraw/zinc/19/45/65/412194565.db2.gz IESDRMMPOMUNOJ-YWVKMMECSA-N 2 1 225.336 0.193 20 0 BCADMP CC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665261650 412204821 /nfs/dbraw/zinc/20/48/21/412204821.db2.gz ISMGDEBDQAKIJV-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662529569 412206126 /nfs/dbraw/zinc/20/61/26/412206126.db2.gz ZVCFELULZJWWQO-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCCCn1cc[nH+]c1C ZINC000662394497 412144130 /nfs/dbraw/zinc/14/41/30/412144130.db2.gz YQBVWLWOXAGBNY-NSHDSACASA-N 2 1 238.335 0.696 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000662410556 412154928 /nfs/dbraw/zinc/15/49/28/412154928.db2.gz SHVIIBQBQLUXIX-GXSJLCMTSA-N 2 1 225.336 0.337 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000662419192 412159613 /nfs/dbraw/zinc/15/96/13/412159613.db2.gz FQOIOXGPKINTSG-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000665234414 412173701 /nfs/dbraw/zinc/17/37/01/412173701.db2.gz CKLWTWUUAGRKMO-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662439339 412174742 /nfs/dbraw/zinc/17/47/42/412174742.db2.gz KPZWEYMWVWLPKU-MNOVXSKESA-N 2 1 229.368 0.831 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662679875 412268561 /nfs/dbraw/zinc/26/85/61/412268561.db2.gz DBLKLONNYLPVHO-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000662682319 412269861 /nfs/dbraw/zinc/26/98/61/412269861.db2.gz RGKPKEUNBGBSTD-GMTAPVOTSA-N 2 1 237.347 0.324 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703512 412276507 /nfs/dbraw/zinc/27/65/07/412276507.db2.gz LBJZXNIAHCRHFX-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000662703925 412276605 /nfs/dbraw/zinc/27/66/05/412276605.db2.gz WFTGHICWPNVIDQ-GUBZILKMSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277952 412221238 /nfs/dbraw/zinc/22/12/38/412221238.db2.gz QGXBRQKYLRCHPI-YTOAPMJUSA-N 2 1 235.375 0.811 20 0 BCADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278099 412221333 /nfs/dbraw/zinc/22/13/33/412221333.db2.gz VBRWLSIUJSDWDK-YIFLHPOLSA-N 2 1 235.375 0.955 20 0 BCADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000665278829 412222745 /nfs/dbraw/zinc/22/27/45/412222745.db2.gz PPELUXJCJMOISK-QTAHKJALSA-N 2 1 210.321 0.896 20 0 BCADMP CC1(C)NC(=O)CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279917 412225376 /nfs/dbraw/zinc/22/53/76/412225376.db2.gz PHWZSOLYPGAWLR-RUETXSTFSA-N 2 1 237.347 0.385 20 0 BCADMP CN(Cc1c[nH]cn1)C(=O)CC(F)(F)C[NH3+] ZINC000662585559 412230547 /nfs/dbraw/zinc/23/05/47/412230547.db2.gz KADZWNLGHKCFCD-UHFFFAOYSA-N 2 1 232.234 0.352 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621530 412232944 /nfs/dbraw/zinc/23/29/44/412232944.db2.gz IXEHLSLVCRWSIQ-DTWKUNHWSA-N 2 1 213.325 0.323 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595257 412233500 /nfs/dbraw/zinc/23/35/00/412233500.db2.gz ZFTHYVAMAPJXOR-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593614 412233782 /nfs/dbraw/zinc/23/37/82/412233782.db2.gz PQACUYZOGJMESC-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621919 412244339 /nfs/dbraw/zinc/24/43/39/412244339.db2.gz LVLJUBNWAHXFCN-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP C[NH2+]C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000665296766 412244563 /nfs/dbraw/zinc/24/45/63/412244563.db2.gz XOFVKOIWYWJPSH-JBLDHEPKSA-N 2 1 211.353 0.667 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621849 412245169 /nfs/dbraw/zinc/24/51/69/412245169.db2.gz XMIUPZRYNLVASF-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP CCn1nccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665299045 412248124 /nfs/dbraw/zinc/24/81/24/412248124.db2.gz FHCQQYCZRPMBAM-VIFPVBQESA-N 2 1 208.309 0.601 20 0 BCADMP [NH3+]CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000574 412366301 /nfs/dbraw/zinc/36/63/01/412366301.db2.gz JVNGBXRRJOMMLW-NSHDSACASA-N 2 1 225.336 0.183 20 0 BCADMP [NH3+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836784 412316516 /nfs/dbraw/zinc/31/65/16/412316516.db2.gz DIAVDCPMSHNMSX-VHSXEESVSA-N 2 1 211.309 0.078 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839038 412316880 /nfs/dbraw/zinc/31/68/80/412316880.db2.gz OUTFAHLIQAWXCU-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839331 412316895 /nfs/dbraw/zinc/31/68/95/412316895.db2.gz PVTORPIFEXRCSL-GHMZBOCLSA-N 2 1 225.336 0.468 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837780 412317233 /nfs/dbraw/zinc/31/72/33/412317233.db2.gz KZICEJBNLOMQAC-HBNTYKKESA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836783 412317468 /nfs/dbraw/zinc/31/74/68/412317468.db2.gz DIAVDCPMSHNMSX-UWVGGRQHSA-N 2 1 211.309 0.078 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851894 412323474 /nfs/dbraw/zinc/32/34/74/412323474.db2.gz FERQTJIRJXQWOS-DCAQKATOSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH2+]C[C@@H](C)CNc1[nH+]cnc2[nH]ccc21 ZINC000420184179 412292036 /nfs/dbraw/zinc/29/20/36/412292036.db2.gz ANKYLOATXFBHMN-MRVPVSSYSA-N 2 1 219.292 1.225 20 0 BCADMP [NH3+]Cc1noc(-c2cccc3c2C[NH2+]C3)n1 ZINC000663251628 412401205 /nfs/dbraw/zinc/40/12/05/412401205.db2.gz PFBDRDKOGNZFPX-UHFFFAOYSA-N 2 1 216.244 0.799 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982168 172365120 /nfs/dbraw/zinc/36/51/20/172365120.db2.gz YVQHNBHDASUHBK-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000040807129 172394708 /nfs/dbraw/zinc/39/47/08/172394708.db2.gz JVKNMBPHQDIKOK-MRVPVSSYSA-N 2 1 231.365 0.105 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000227004731 173011515 /nfs/dbraw/zinc/01/15/15/173011515.db2.gz USUVLJMZWRZAEG-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134474994 173011848 /nfs/dbraw/zinc/01/18/48/173011848.db2.gz NRYGGEVPJODWTJ-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000309204172 173011965 /nfs/dbraw/zinc/01/19/65/173011965.db2.gz MBSMDCSHGPUZJH-MRVPVSSYSA-N 2 1 235.278 0.133 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227861381 173012024 /nfs/dbraw/zinc/01/20/24/173012024.db2.gz FMEZWDHLOLJFNI-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CCC[NH+](C)CC1)C1CC1 ZINC000336678719 173014257 /nfs/dbraw/zinc/01/42/57/173014257.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+](C[C@H](O)CN1CCC[N@H+](C)CC1)C1CC1 ZINC000336678719 173014260 /nfs/dbraw/zinc/01/42/60/173014260.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+](C[C@H](O)CN1CCC[N@@H+](C)CC1)C1CC1 ZINC000336678719 173014262 /nfs/dbraw/zinc/01/42/62/173014262.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000040673750 173021251 /nfs/dbraw/zinc/02/12/51/173021251.db2.gz DSGLMNOGBPXWOH-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934975 173030548 /nfs/dbraw/zinc/03/05/48/173030548.db2.gz JAGRBYYSZLMISQ-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[NH3+] ZINC000371261924 173033146 /nfs/dbraw/zinc/03/31/46/173033146.db2.gz FRVFTOQIYKTIDF-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000227333542 173036028 /nfs/dbraw/zinc/03/60/28/173036028.db2.gz UBZGJGYVHUHOCN-GHMZBOCLSA-N 2 1 237.347 0.420 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000370683753 173036425 /nfs/dbraw/zinc/03/64/25/173036425.db2.gz ZOTVMXPCXFUDAV-OLZOCXBDSA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000370683753 173036427 /nfs/dbraw/zinc/03/64/27/173036427.db2.gz ZOTVMXPCXFUDAV-OLZOCXBDSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]21 ZINC000370683753 173036428 /nfs/dbraw/zinc/03/64/28/173036428.db2.gz ZOTVMXPCXFUDAV-OLZOCXBDSA-N 2 1 249.362 0.694 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]21 ZINC000370683753 173036429 /nfs/dbraw/zinc/03/64/29/173036429.db2.gz ZOTVMXPCXFUDAV-OLZOCXBDSA-N 2 1 249.362 0.694 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538751 173042462 /nfs/dbraw/zinc/04/24/62/173042462.db2.gz XLJGAGCAHJFARF-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000040673749 173044480 /nfs/dbraw/zinc/04/44/80/173044480.db2.gz DSGLMNOGBPXWOH-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000336321132 173047758 /nfs/dbraw/zinc/04/77/58/173047758.db2.gz HTVWZWABCFCEMV-RYUDHWBXSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336321132 173047761 /nfs/dbraw/zinc/04/77/61/173047761.db2.gz HTVWZWABCFCEMV-RYUDHWBXSA-N 2 1 237.347 0.387 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336321132 173047763 /nfs/dbraw/zinc/04/77/63/173047763.db2.gz HTVWZWABCFCEMV-RYUDHWBXSA-N 2 1 237.347 0.387 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000309459996 173048645 /nfs/dbraw/zinc/04/86/45/173048645.db2.gz NPWPZHLULAZALO-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393955 173057622 /nfs/dbraw/zinc/05/76/22/173057622.db2.gz QYAMNNVLVGAEPJ-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000339438328 173061614 /nfs/dbraw/zinc/06/16/14/173061614.db2.gz COHGUOWZXJXQOU-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3cncn3)C2)C1 ZINC000339438328 173061616 /nfs/dbraw/zinc/06/16/16/173061616.db2.gz COHGUOWZXJXQOU-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000339438328 173061617 /nfs/dbraw/zinc/06/16/17/173061617.db2.gz COHGUOWZXJXQOU-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000339438328 173061619 /nfs/dbraw/zinc/06/16/19/173061619.db2.gz COHGUOWZXJXQOU-ZDUSSCGKSA-N 2 1 249.362 0.696 20 0 BCADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOCCO)C2)C1 ZINC000339432685 173062788 /nfs/dbraw/zinc/06/27/88/173062788.db2.gz KOIRCNPBCQZKDZ-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000339432685 173062790 /nfs/dbraw/zinc/06/27/90/173062790.db2.gz KOIRCNPBCQZKDZ-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000339432685 173062792 /nfs/dbraw/zinc/06/27/92/173062792.db2.gz KOIRCNPBCQZKDZ-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH3+])C2(CCCCC2)C1 ZINC000237133998 173066863 /nfs/dbraw/zinc/06/68/63/173066863.db2.gz DTSMTRALSDYWFZ-UHFFFAOYSA-N 2 1 239.363 0.812 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000037645621 173116388 /nfs/dbraw/zinc/11/63/88/173116388.db2.gz IDSINUDPNFMGIY-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000309527000 173138414 /nfs/dbraw/zinc/13/84/14/173138414.db2.gz CTLZRUOEWFJSCF-GFCCVEGCSA-N 2 1 221.304 0.238 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000309527000 173138417 /nfs/dbraw/zinc/13/84/17/173138417.db2.gz CTLZRUOEWFJSCF-GFCCVEGCSA-N 2 1 221.304 0.238 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCO)C2)C1 ZINC000308988976 173139637 /nfs/dbraw/zinc/13/96/37/173139637.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCO)C2)C1 ZINC000308988976 173139639 /nfs/dbraw/zinc/13/96/39/173139639.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCO)C2)C1 ZINC000308988976 173139642 /nfs/dbraw/zinc/13/96/42/173139642.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 2 1 212.337 0.787 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000307049494 173139845 /nfs/dbraw/zinc/13/98/45/173139845.db2.gz CTIZELNWQGIVBJ-CYBMUJFWSA-N 2 1 220.316 0.843 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000307049494 173139847 /nfs/dbraw/zinc/13/98/47/173139847.db2.gz CTIZELNWQGIVBJ-CYBMUJFWSA-N 2 1 220.316 0.843 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000037645620 173144982 /nfs/dbraw/zinc/14/49/82/173144982.db2.gz IDSINUDPNFMGIY-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062893825 173145706 /nfs/dbraw/zinc/14/57/06/173145706.db2.gz ZVAOLTWXVQJDRG-PWSUYJOCSA-N 2 1 225.336 0.054 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCSC2)C1 ZINC000308966686 173166128 /nfs/dbraw/zinc/16/61/28/173166128.db2.gz WGWKLJRPBIHYEF-QWRGUYRKSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CCSC2)C1 ZINC000308966686 173166125 /nfs/dbraw/zinc/16/61/25/173166125.db2.gz WGWKLJRPBIHYEF-QWRGUYRKSA-N 2 1 230.377 0.396 20 0 BCADMP C[N@H+]1C[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2C1 ZINC000278725212 173199634 /nfs/dbraw/zinc/19/96/34/173199634.db2.gz KNDKNSRJMXUZOS-AOOOYVTPSA-N 2 1 243.314 0.956 20 0 BCADMP C[N@@H+]1C[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2C1 ZINC000278725212 173199637 /nfs/dbraw/zinc/19/96/37/173199637.db2.gz KNDKNSRJMXUZOS-AOOOYVTPSA-N 2 1 243.314 0.956 20 0 BCADMP CNC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123619727 173248524 /nfs/dbraw/zinc/24/85/24/173248524.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123619727 173248526 /nfs/dbraw/zinc/24/85/26/173248526.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123619727 173248517 /nfs/dbraw/zinc/24/85/17/173248517.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123619727 173248518 /nfs/dbraw/zinc/24/85/18/173248518.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123619727 173248521 /nfs/dbraw/zinc/24/85/21/173248521.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123619002 173249301 /nfs/dbraw/zinc/24/93/01/173249301.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123619002 173249304 /nfs/dbraw/zinc/24/93/04/173249304.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123619002 173249307 /nfs/dbraw/zinc/24/93/07/173249307.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123619002 173249309 /nfs/dbraw/zinc/24/93/09/173249309.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123619002 173249312 /nfs/dbraw/zinc/24/93/12/173249312.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000358654534 173251693 /nfs/dbraw/zinc/25/16/93/173251693.db2.gz UJNMYBDTANBTOA-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000298703741 173280484 /nfs/dbraw/zinc/28/04/84/173280484.db2.gz QJBDSDMYFCYCFW-SNVBAGLBSA-N 2 1 238.335 0.696 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336746286 173281933 /nfs/dbraw/zinc/28/19/33/173281933.db2.gz BCTCGNXIEBUYQK-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336769440 173282959 /nfs/dbraw/zinc/28/29/59/173282959.db2.gz RYNAGCGCBDTBSL-DCAQKATOSA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336769440 173282960 /nfs/dbraw/zinc/28/29/60/173282960.db2.gz RYNAGCGCBDTBSL-DCAQKATOSA-N 2 1 227.352 0.583 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000234374480 173301049 /nfs/dbraw/zinc/30/10/49/173301049.db2.gz BNTPUJJNDBIBQF-LLVKDONJSA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439133 173301469 /nfs/dbraw/zinc/30/14/69/173301469.db2.gz XKSMTIDRQDKNKH-GHMZBOCLSA-N 2 1 227.352 0.300 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CCn1ccnc1C ZINC000270660974 173307328 /nfs/dbraw/zinc/30/73/28/173307328.db2.gz OXXBMGGSPKIJRA-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270660974 173307329 /nfs/dbraw/zinc/30/73/29/173307329.db2.gz OXXBMGGSPKIJRA-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000237058439 173322732 /nfs/dbraw/zinc/32/27/32/173322732.db2.gz NJTNNYFJTMOUPK-UHFFFAOYSA-N 2 1 227.352 0.537 20 0 BCADMP C[NH2+]CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000237179168 173324293 /nfs/dbraw/zinc/32/42/93/173324293.db2.gz FSPNYDAXTNYQCB-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000249418006 173325605 /nfs/dbraw/zinc/32/56/05/173325605.db2.gz DCWOANOVQADHIX-VHSXEESVSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000237224235 173328926 /nfs/dbraw/zinc/32/89/26/173328926.db2.gz JUNMVCZQZHPGAD-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP C[NH2+]CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000019517302 173328996 /nfs/dbraw/zinc/32/89/96/173328996.db2.gz UXBCSSOMFDQRGO-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237251869 173330484 /nfs/dbraw/zinc/33/04/84/173330484.db2.gz NDTTWRBMHJMKMR-TUAOUCFPSA-N 2 1 241.379 0.688 20 0 BCADMP C[NH2+]CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000193142736 173331825 /nfs/dbraw/zinc/33/18/25/173331825.db2.gz QEKIXOVZEZACBN-GFCCVEGCSA-N 2 1 249.358 0.843 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000377394317 173332170 /nfs/dbraw/zinc/33/21/70/173332170.db2.gz WYNIYWXTFIEDFF-GFCCVEGCSA-N 2 1 233.315 0.509 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377394317 173332171 /nfs/dbraw/zinc/33/21/71/173332171.db2.gz WYNIYWXTFIEDFF-GFCCVEGCSA-N 2 1 233.315 0.509 20 0 BCADMP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357252277 173339394 /nfs/dbraw/zinc/33/93/94/173339394.db2.gz WBPCZIIDKVMUPN-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000043599761 173339971 /nfs/dbraw/zinc/33/99/71/173339971.db2.gz DCECCZYMFNQLLM-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094459952 173343915 /nfs/dbraw/zinc/34/39/15/173343915.db2.gz WBRDFRRXMYBHRU-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649678 173344221 /nfs/dbraw/zinc/34/42/21/173344221.db2.gz DMMPZQFCGHTPAH-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000082544482 173346163 /nfs/dbraw/zinc/34/61/63/173346163.db2.gz BJBATGBHKMQRQB-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000124963105 173346200 /nfs/dbraw/zinc/34/62/00/173346200.db2.gz XHYXIQVGLZHUHC-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000124963105 173346201 /nfs/dbraw/zinc/34/62/01/173346201.db2.gz XHYXIQVGLZHUHC-UHFFFAOYSA-N 2 1 235.331 0.827 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000309639956 173346860 /nfs/dbraw/zinc/34/68/60/173346860.db2.gz OHFTUKAVGLCKLN-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP C[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000151259742 173355015 /nfs/dbraw/zinc/35/50/15/173355015.db2.gz WOHVWVGTEDEAKF-LBPRGKRZSA-N 2 1 235.331 0.625 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000246698471 173362641 /nfs/dbraw/zinc/36/26/41/173362641.db2.gz WAYIDDJVMCZYIP-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245467974 173362669 /nfs/dbraw/zinc/36/26/69/173362669.db2.gz SRNOAJDSBCWREZ-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226394638 173363114 /nfs/dbraw/zinc/36/31/14/173363114.db2.gz MDPIFUYNFITDKD-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092133862 173363439 /nfs/dbraw/zinc/36/34/39/173363439.db2.gz VUXIEMUGYLVDPV-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000237317082 173373825 /nfs/dbraw/zinc/37/38/25/173373825.db2.gz RPGXZIJBPIOUMU-NEPJUHHUSA-N 2 1 241.379 0.690 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245467975 173374153 /nfs/dbraw/zinc/37/41/53/173374153.db2.gz SRNOAJDSBCWREZ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000092133321 173374949 /nfs/dbraw/zinc/37/49/49/173374949.db2.gz UQXFLEHCHIZRGR-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000237301913 173378542 /nfs/dbraw/zinc/37/85/42/173378542.db2.gz ITSUCPBLBRJGCJ-ZJUUUORDSA-N 2 1 243.376 0.107 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC000053199456 173379270 /nfs/dbraw/zinc/37/92/70/173379270.db2.gz PHXWYSLJSOAZLF-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000053034000 173381730 /nfs/dbraw/zinc/38/17/30/173381730.db2.gz OIHOJSJBYBJDDH-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250748092 173381825 /nfs/dbraw/zinc/38/18/25/173381825.db2.gz OIHOJSJBYBJDDH-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP COC1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358226208 174022746 /nfs/dbraw/zinc/02/27/46/174022746.db2.gz CUIGYXSHOLKMDJ-BPCQOVAHSA-N 2 1 242.363 0.600 20 0 BCADMP COC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358226208 174022751 /nfs/dbraw/zinc/02/27/51/174022751.db2.gz CUIGYXSHOLKMDJ-BPCQOVAHSA-N 2 1 242.363 0.600 20 0 BCADMP COCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336716446 174077703 /nfs/dbraw/zinc/07/77/03/174077703.db2.gz QBQWYTWRMFSTTR-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336716446 174077704 /nfs/dbraw/zinc/07/77/04/174077704.db2.gz QBQWYTWRMFSTTR-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336716446 174077706 /nfs/dbraw/zinc/07/77/06/174077706.db2.gz QBQWYTWRMFSTTR-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336716446 174077707 /nfs/dbraw/zinc/07/77/07/174077707.db2.gz QBQWYTWRMFSTTR-LBPRGKRZSA-N 2 1 244.379 0.798 20 0 BCADMP COCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336713402 174193750 /nfs/dbraw/zinc/19/37/50/174193750.db2.gz VMGVLLFAKOFIPM-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192098188 174276399 /nfs/dbraw/zinc/27/63/99/174276399.db2.gz CUTHTIWRNSBMQE-QWRGUYRKSA-N 2 1 245.367 0.054 20 0 BCADMP COCCN(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000305745553 174294024 /nfs/dbraw/zinc/29/40/24/174294024.db2.gz VHWQSLMGHPRWGL-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305745553 174294025 /nfs/dbraw/zinc/29/40/25/174294025.db2.gz VHWQSLMGHPRWGL-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305745553 174294026 /nfs/dbraw/zinc/29/40/26/174294026.db2.gz VHWQSLMGHPRWGL-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000305745553 174294027 /nfs/dbraw/zinc/29/40/27/174294027.db2.gz VHWQSLMGHPRWGL-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000305745553 174294028 /nfs/dbraw/zinc/29/40/28/174294028.db2.gz VHWQSLMGHPRWGL-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP COCCOCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070481638 174353283 /nfs/dbraw/zinc/35/32/83/174353283.db2.gz WSWDKMZLPRYXEL-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP COCCOCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485009 174354604 /nfs/dbraw/zinc/35/46/04/174354604.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485009 174354605 /nfs/dbraw/zinc/35/46/05/174354605.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366485009 174354607 /nfs/dbraw/zinc/35/46/07/174354607.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 2 1 242.363 0.677 20 0 BCADMP COCCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485009 174354608 /nfs/dbraw/zinc/35/46/08/174354608.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 2 1 242.363 0.677 20 0 BCADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000337505976 174396511 /nfs/dbraw/zinc/39/65/11/174396511.db2.gz FMTPGBBIHGVSGK-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000062073897 175102456 /nfs/dbraw/zinc/10/24/56/175102456.db2.gz PMPZVCDOEFOGBG-JTQLQIEISA-N 2 1 221.304 0.871 20 0 BCADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000062073897 175102458 /nfs/dbraw/zinc/10/24/58/175102458.db2.gz PMPZVCDOEFOGBG-JTQLQIEISA-N 2 1 221.304 0.871 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669585469 487630882 /nfs/dbraw/zinc/63/08/82/487630882.db2.gz PWQUYHQNVNZRSF-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000237677233 176071231 /nfs/dbraw/zinc/07/12/31/176071231.db2.gz NGLFDRFUYDCOEM-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC(F)(F)C[NH3+] ZINC000332006934 176185277 /nfs/dbraw/zinc/18/52/77/176185277.db2.gz PFJDBXVATKZVEO-RKDXNWHRSA-N 2 1 221.295 0.558 20 0 BCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334294712 176167609 /nfs/dbraw/zinc/16/76/09/176167609.db2.gz UQJFOOBAGPKMJH-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334294712 176167610 /nfs/dbraw/zinc/16/76/10/176167610.db2.gz UQJFOOBAGPKMJH-SNVBAGLBSA-N 2 1 213.325 0.101 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1CO ZINC000336703111 176172585 /nfs/dbraw/zinc/17/25/85/176172585.db2.gz KFQFVKIIOFDLDY-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1CO ZINC000336703111 176172579 /nfs/dbraw/zinc/17/25/79/176172579.db2.gz KFQFVKIIOFDLDY-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1CO ZINC000336703111 176172581 /nfs/dbraw/zinc/17/25/81/176172581.db2.gz KFQFVKIIOFDLDY-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1CO ZINC000336703111 176172583 /nfs/dbraw/zinc/17/25/83/176172583.db2.gz KFQFVKIIOFDLDY-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340420807 176268218 /nfs/dbraw/zinc/26/82/18/176268218.db2.gz ZIRJAKPKAYOLEH-VOAKCMCISA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340420808 176269191 /nfs/dbraw/zinc/26/91/91/176269191.db2.gz ZIRJAKPKAYOLEH-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000309492423 176270659 /nfs/dbraw/zinc/27/06/59/176270659.db2.gz SODAOBVFSROPQD-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000309492423 176270660 /nfs/dbraw/zinc/27/06/60/176270660.db2.gz SODAOBVFSROPQD-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877200 176271446 /nfs/dbraw/zinc/27/14/46/176271446.db2.gz RZJVMQKHTCSWBW-MNOVXSKESA-N 2 1 227.352 0.204 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211604 176271790 /nfs/dbraw/zinc/27/17/90/176271790.db2.gz OQRQOELTDFZCQL-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498297 176272381 /nfs/dbraw/zinc/27/23/81/176272381.db2.gz LLIMYRNIYVSNCS-VWYCJHECSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000037751909 176278692 /nfs/dbraw/zinc/27/86/92/176278692.db2.gz KDNWHEHKQPFKGQ-UTUOFQBUSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000361232272 176280535 /nfs/dbraw/zinc/28/05/35/176280535.db2.gz XXNMEYNELWPRSA-FDYHWXHSSA-N 2 1 243.395 0.227 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCO ZINC000305067905 176298061 /nfs/dbraw/zinc/29/80/61/176298061.db2.gz JQVVKRBKMXNELM-FRRDWIJNSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@@]1(C)C[NH3+] ZINC000335349971 176310223 /nfs/dbraw/zinc/31/02/23/176310223.db2.gz ZWXXVFSSMYXKMY-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@]1(C)C[NH3+] ZINC000335349971 176310224 /nfs/dbraw/zinc/31/02/24/176310224.db2.gz ZWXXVFSSMYXKMY-ZYHUDNBSSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CC[N@H+]1C ZINC000132923468 176372892 /nfs/dbraw/zinc/37/28/92/176372892.db2.gz GWTDEJXCYCNVQR-BDAKNGLRSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[N@H+]1C ZINC000132955563 176372909 /nfs/dbraw/zinc/37/29/09/176372909.db2.gz IYRMOWSMMIUCEY-PWSUYJOCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH3+])C[N@H+]1C1CC1 ZINC000331747658 176374437 /nfs/dbraw/zinc/37/44/37/176374437.db2.gz DVTVZQKHCJHVFT-NXEZZACHSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000128064402 176375900 /nfs/dbraw/zinc/37/59/00/176375900.db2.gz XZMRGPZWUMIJBC-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CCO1 ZINC000300358909 176376563 /nfs/dbraw/zinc/37/65/63/176376563.db2.gz LVOJOZDFIRHKRP-VWYCJHECSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)F)CC[N@@H+]1C ZINC000300356849 176376815 /nfs/dbraw/zinc/37/68/15/176376815.db2.gz QTAOUXHXEGRUKT-VGMNWLOBSA-N 2 1 222.279 0.685 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)F)CC[N@H+]1C ZINC000300356849 176376817 /nfs/dbraw/zinc/37/68/17/176376817.db2.gz QTAOUXHXEGRUKT-VGMNWLOBSA-N 2 1 222.279 0.685 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000375912755 176655581 /nfs/dbraw/zinc/65/55/81/176655581.db2.gz QYUFKTBRTSSEFQ-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000237508591 177075353 /nfs/dbraw/zinc/07/53/53/177075353.db2.gz NGLFDRFUYDCOEM-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH3+])C1 ZINC000237574342 177096428 /nfs/dbraw/zinc/09/64/28/177096428.db2.gz SUNWDXLOMJLERG-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[NH3+])C1 ZINC000237574794 177097501 /nfs/dbraw/zinc/09/75/01/177097501.db2.gz FJXWMIIHQUZUHF-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000353575899 177117905 /nfs/dbraw/zinc/11/79/05/177117905.db2.gz GAUHKCQCDGERLP-PHIMTYICSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000126064502 177175214 /nfs/dbraw/zinc/17/52/14/177175214.db2.gz YSGXBMQDMIIACC-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000226402786 177232285 /nfs/dbraw/zinc/23/22/85/177232285.db2.gz FBPZYWDOBFNSGN-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000226402786 177232286 /nfs/dbraw/zinc/23/22/86/177232286.db2.gz FBPZYWDOBFNSGN-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000235322288 177232996 /nfs/dbraw/zinc/23/29/96/177232996.db2.gz UAUSAVAFGFJIHW-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000235322288 177232998 /nfs/dbraw/zinc/23/29/98/177232998.db2.gz UAUSAVAFGFJIHW-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000362782110 177233772 /nfs/dbraw/zinc/23/37/72/177233772.db2.gz PRTIZROTJHVFBM-QWRGUYRKSA-N 2 1 248.330 0.423 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000341889404 177234283 /nfs/dbraw/zinc/23/42/83/177234283.db2.gz RPKSFMHKWCQLCW-WCQYABFASA-N 2 1 234.347 0.949 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778658 177234898 /nfs/dbraw/zinc/23/48/98/177234898.db2.gz LXWNTKSMSLDCTP-CMPLNLGQSA-N 2 1 222.336 0.882 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000362615720 177234978 /nfs/dbraw/zinc/23/49/78/177234978.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000362615720 177234980 /nfs/dbraw/zinc/23/49/80/177234980.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000362615720 177234982 /nfs/dbraw/zinc/23/49/82/177234982.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336752442 177236823 /nfs/dbraw/zinc/23/68/23/177236823.db2.gz GWINDRADFMBPPB-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336752442 177236825 /nfs/dbraw/zinc/23/68/25/177236825.db2.gz GWINDRADFMBPPB-TUAOUCFPSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747276 177240267 /nfs/dbraw/zinc/24/02/67/177240267.db2.gz DQQJYCPQHCJWNC-ONGXEEELSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357236384 177242826 /nfs/dbraw/zinc/24/28/26/177242826.db2.gz CVMZDWAVLXKZCK-WCABBAIRSA-N 2 1 225.336 0.180 20 0 BCADMP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000108357044 177246332 /nfs/dbraw/zinc/24/63/32/177246332.db2.gz HESIQTFRXVCZCY-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000108357044 177246333 /nfs/dbraw/zinc/24/63/33/177246333.db2.gz HESIQTFRXVCZCY-NSHDSACASA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000083355684 177249009 /nfs/dbraw/zinc/24/90/09/177249009.db2.gz BTDLBWIRUJPLHB-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251644121 177264530 /nfs/dbraw/zinc/26/45/30/177264530.db2.gz GBDRFWRQPOOMLW-GXFFZTMASA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000251644121 177264532 /nfs/dbraw/zinc/26/45/32/177264532.db2.gz GBDRFWRQPOOMLW-GXFFZTMASA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000037482550 177313733 /nfs/dbraw/zinc/31/37/33/177313733.db2.gz XJFYXRDCBCSBDN-BETUJISGSA-N 2 1 225.380 0.870 20 0 BCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[NH3+])C1 ZINC000237637418 177313897 /nfs/dbraw/zinc/31/38/97/177313897.db2.gz IRWXSEILVWLIKV-PHIMTYICSA-N 2 1 227.352 0.429 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCC1 ZINC000126970918 177323441 /nfs/dbraw/zinc/32/34/41/177323441.db2.gz ILFXCGQEXMTQMK-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCCC1 ZINC000126970918 177323443 /nfs/dbraw/zinc/32/34/43/177323443.db2.gz ILFXCGQEXMTQMK-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605243 177323732 /nfs/dbraw/zinc/32/37/32/177323732.db2.gz HTQPASBDBAWNGE-JQWIXIFHSA-N 2 1 211.353 0.655 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000082483740 487639758 /nfs/dbraw/zinc/63/97/58/487639758.db2.gz RMIBTMJFYUEESC-LLVKDONJSA-N 2 1 211.353 0.622 20 0 BCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659829 487641367 /nfs/dbraw/zinc/64/13/67/487641367.db2.gz KTQCAYYXICGKOY-NEPJUHHUSA-N 2 1 237.347 0.339 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014126 487643737 /nfs/dbraw/zinc/64/37/37/487643737.db2.gz GVSGZDGDCZISDY-UTUOFQBUSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014126 487643740 /nfs/dbraw/zinc/64/37/40/487643740.db2.gz GVSGZDGDCZISDY-UTUOFQBUSA-N 2 1 211.353 0.940 20 0 BCADMP CC[NH+](CC)CCNC(=O)N1CC[NH+](C)CC1 ZINC000003599670 487645863 /nfs/dbraw/zinc/64/58/63/487645863.db2.gz ODBDYKOFVWFXOM-UHFFFAOYSA-N 2 1 242.367 0.285 20 0 BCADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000400483737 226344765 /nfs/dbraw/zinc/34/47/65/226344765.db2.gz CSTRFOWYWHOWTK-TUAOUCFPSA-N 2 1 211.353 0.811 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047588 487653480 /nfs/dbraw/zinc/65/34/80/487653480.db2.gz FGDDRODDPRZQON-QWHCGFSZSA-N 2 1 241.379 0.127 20 0 BCADMP C[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591812 487663780 /nfs/dbraw/zinc/66/37/80/487663780.db2.gz FYFUBYFCZFCQMI-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662594002 487663799 /nfs/dbraw/zinc/66/37/99/487663799.db2.gz QJRIWXTZCYNMNQ-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)CC[NH2+]1 ZINC000314890461 487669188 /nfs/dbraw/zinc/66/91/88/487669188.db2.gz MKELUCKZGWJKQN-LLVKDONJSA-N 2 1 222.336 0.646 20 0 BCADMP Cn1c[nH+]cc1CCCN1CCC[C@@H]1C[NH3+] ZINC000315072421 487670621 /nfs/dbraw/zinc/67/06/21/487670621.db2.gz LWYZJXWHOBPDJE-LLVKDONJSA-N 2 1 222.336 0.776 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCO)C1 ZINC000639760524 487673660 /nfs/dbraw/zinc/67/36/60/487673660.db2.gz BJEJWRRQJNBZOR-LBPRGKRZSA-N 2 1 230.352 0.147 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000383786602 487674027 /nfs/dbraw/zinc/67/40/27/487674027.db2.gz QEMIBADFEGIFHO-LBPRGKRZSA-N 2 1 244.379 0.584 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073611 487682224 /nfs/dbraw/zinc/68/22/24/487682224.db2.gz VTGTYPJGAXWSJR-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384039529 487689620 /nfs/dbraw/zinc/68/96/20/487689620.db2.gz UWSBGFOYNOFCJY-CHWSQXEVSA-N 2 1 246.395 0.684 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000226271880 487700583 /nfs/dbraw/zinc/70/05/83/487700583.db2.gz OPJPOVPPFLZNFQ-USZNOCQGSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000226271880 487700586 /nfs/dbraw/zinc/70/05/86/487700586.db2.gz OPJPOVPPFLZNFQ-USZNOCQGSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000226271900 487700627 /nfs/dbraw/zinc/70/06/27/487700627.db2.gz OPJPOVPPFLZNFQ-NNYUYHANSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000226271900 487700632 /nfs/dbraw/zinc/70/06/32/487700632.db2.gz OPJPOVPPFLZNFQ-NNYUYHANSA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402966 487703715 /nfs/dbraw/zinc/70/37/15/487703715.db2.gz CBAXWCNDVXTAFB-MNOVXSKESA-N 2 1 240.351 0.117 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403064 487703755 /nfs/dbraw/zinc/70/37/55/487703755.db2.gz HFRPKSRLMIJVLT-MNOVXSKESA-N 2 1 240.351 0.213 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403071 487704159 /nfs/dbraw/zinc/70/41/59/487704159.db2.gz HPMRYAWBMJUJGO-GHMZBOCLSA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000669403345 487705417 /nfs/dbraw/zinc/70/54/17/487705417.db2.gz WADWGACERJHYNI-QWRGUYRKSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403338 487705968 /nfs/dbraw/zinc/70/59/68/487705968.db2.gz VULWCJYQIAMKDV-WDEREUQCSA-N 2 1 240.351 0.213 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164318 487707526 /nfs/dbraw/zinc/70/75/26/487707526.db2.gz CVTQCCMQAYXZGI-YEJSDXFRSA-N 2 1 239.363 0.855 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394236 487729899 /nfs/dbraw/zinc/72/98/99/487729899.db2.gz OGLVTAHWERCLCI-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772385 487731624 /nfs/dbraw/zinc/73/16/24/487731624.db2.gz BIQOKXUDSIOITM-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361719 487734203 /nfs/dbraw/zinc/73/42/03/487734203.db2.gz LXVIXVSCNVVEFL-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000250551419 487735202 /nfs/dbraw/zinc/73/52/02/487735202.db2.gz SWNXFIUPGOOLLO-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000226398384 487734881 /nfs/dbraw/zinc/73/48/81/487734881.db2.gz SOUXLMIZMYMHKR-WCQGTBRESA-N 2 1 239.363 0.713 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000250551419 487735197 /nfs/dbraw/zinc/73/51/97/487735197.db2.gz SWNXFIUPGOOLLO-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000163537999 487743742 /nfs/dbraw/zinc/74/37/42/487743742.db2.gz RKOPQAJTDIKKOP-LBPRGKRZSA-N 2 1 229.368 0.106 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000163553927 487744686 /nfs/dbraw/zinc/74/46/86/487744686.db2.gz PTDTZWZNGCRXLA-UTUOFQBUSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000163553927 487744687 /nfs/dbraw/zinc/74/46/87/487744687.db2.gz PTDTZWZNGCRXLA-UTUOFQBUSA-N 2 1 230.352 0.707 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505128 487744888 /nfs/dbraw/zinc/74/48/88/487744888.db2.gz PWMDFNKHJQEFLY-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+](C)C ZINC000681202036 487746246 /nfs/dbraw/zinc/74/62/46/487746246.db2.gz HOMBBCXTVJFFND-JTQLQIEISA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@](C)(O)C1 ZINC000390617963 487759058 /nfs/dbraw/zinc/75/90/58/487759058.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000390617963 487759067 /nfs/dbraw/zinc/75/90/67/487759067.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(O)C1 ZINC000390617963 487759072 /nfs/dbraw/zinc/75/90/72/487759072.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000674286529 487777174 /nfs/dbraw/zinc/77/71/74/487777174.db2.gz ZOUBWYLGFIRDEO-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000674286528 487777318 /nfs/dbraw/zinc/77/73/18/487777318.db2.gz ZOUBWYLGFIRDEO-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000668462535 487786195 /nfs/dbraw/zinc/78/61/95/487786195.db2.gz HVIPBMBBACJUIS-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000251674667 487788154 /nfs/dbraw/zinc/78/81/54/487788154.db2.gz HQFUBBMFZHMTJI-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000251674667 487788160 /nfs/dbraw/zinc/78/81/60/487788160.db2.gz HQFUBBMFZHMTJI-MXWKQRLJSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322407110 487797357 /nfs/dbraw/zinc/79/73/57/487797357.db2.gz XNANXFWVIWPALU-WAAKLRNESA-N 2 1 239.363 0.855 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]cn1 ZINC000493319818 487799569 /nfs/dbraw/zinc/79/95/69/487799569.db2.gz KUHPRGZHJLLECM-RXNFCKPNSA-N 2 1 248.330 0.976 20 0 BCADMP CC[C@H]1CN(C)CCN1C(=O)C=Cc1c[nH]cn1 ZINC000493319818 487799572 /nfs/dbraw/zinc/79/95/72/487799572.db2.gz KUHPRGZHJLLECM-RXNFCKPNSA-N 2 1 248.330 0.976 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300528611 487808159 /nfs/dbraw/zinc/80/81/59/487808159.db2.gz GZDIHWDUHQETOA-DGCLKSJQSA-N 2 1 239.363 0.573 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000414737663 487819871 /nfs/dbraw/zinc/81/98/71/487819871.db2.gz HNYMAEFRDYWAIP-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000414737663 487819864 /nfs/dbraw/zinc/81/98/64/487819864.db2.gz HNYMAEFRDYWAIP-IUCAKERBSA-N 2 1 240.269 0.970 20 0 BCADMP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCOC1 ZINC000229120343 487822602 /nfs/dbraw/zinc/82/26/02/487822602.db2.gz IMQXUQKSDLYBRK-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP CCC[C@@]1(CO)CCC[N@H+]1CCC[NH3+] ZINC000414759077 487822700 /nfs/dbraw/zinc/82/27/00/487822700.db2.gz NPKYPIIRPLQJQY-NSHDSACASA-N 2 1 200.326 0.962 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000414768784 487824168 /nfs/dbraw/zinc/82/41/68/487824168.db2.gz VSACAYQNZHAFNM-SNVBAGLBSA-N 2 1 218.366 0.525 20 0 BCADMP C[N@@H+](CCOC(F)F)C1CC[NH2+]CC1 ZINC000852744278 588698929 /nfs/dbraw/zinc/69/89/29/588698929.db2.gz XFEJEGWGQTXWPE-UHFFFAOYSA-N 2 1 208.252 0.909 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155340 589885652 /nfs/dbraw/zinc/88/56/52/589885652.db2.gz JLFUYJSTURCPAK-LBPRGKRZSA-N 3 1 231.384 0.408 20 0 BCADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000062620410 487847218 /nfs/dbraw/zinc/84/72/18/487847218.db2.gz OKKINFVUDNEBPR-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000253150082 487856439 /nfs/dbraw/zinc/85/64/39/487856439.db2.gz DQODFOPTIOEVDE-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669451474 487896298 /nfs/dbraw/zinc/89/62/98/487896298.db2.gz KXBMTGNGWLKLOI-QRGHLMKCSA-N 2 1 242.367 0.531 20 0 BCADMP [NH3+]C[C@H](NC(=O)CC(F)(F)C[NH3+])C1CCCC1 ZINC000653162093 487901309 /nfs/dbraw/zinc/90/13/09/487901309.db2.gz MZMFHYZRXODQBV-VIFPVBQESA-N 2 1 249.305 0.604 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404294105 487917215 /nfs/dbraw/zinc/91/72/15/487917215.db2.gz MSFPYHLFPRKFHO-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404294101 487917425 /nfs/dbraw/zinc/91/74/25/487917425.db2.gz MSFPYHLFPRKFHO-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363660 487933377 /nfs/dbraw/zinc/93/33/77/487933377.db2.gz KOMNAMJLGPDRNB-RVMXOQNASA-N 2 1 241.379 0.694 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363660 487933382 /nfs/dbraw/zinc/93/33/82/487933382.db2.gz KOMNAMJLGPDRNB-RVMXOQNASA-N 2 1 241.379 0.694 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=CCC2)CC1 ZINC000669932901 487936200 /nfs/dbraw/zinc/93/62/00/487936200.db2.gz VPUXUEJMYBXSKI-UHFFFAOYSA-N 2 1 237.347 0.412 20 0 BCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=CCC2)CC1 ZINC000669932901 487936203 /nfs/dbraw/zinc/93/62/03/487936203.db2.gz VPUXUEJMYBXSKI-UHFFFAOYSA-N 2 1 237.347 0.412 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417606092 487939140 /nfs/dbraw/zinc/93/91/40/487939140.db2.gz CVZUQVSVEJZSDE-UHFFFAOYSA-N 2 1 244.383 0.579 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000566620012 323007389 /nfs/dbraw/zinc/00/73/89/323007389.db2.gz XKVLFEWUKFWBIL-KXNHARMFSA-N 2 1 237.347 0.195 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCSC2)CC[N@H+]1C ZINC000246945126 323011590 /nfs/dbraw/zinc/01/15/90/323011590.db2.gz HCVRNASDLQRFFZ-UTUOFQBUSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)CC1CC[NH2+]CC1 ZINC000572722166 323036634 /nfs/dbraw/zinc/03/66/34/323036634.db2.gz SBPDSOGPYLRISF-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397252281 323038506 /nfs/dbraw/zinc/03/85/06/323038506.db2.gz DAGZRZMUYRSAAU-MXWKQRLJSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC[C@H]1CCCO1 ZINC000569821410 323041712 /nfs/dbraw/zinc/04/17/12/323041712.db2.gz FHRCZWWRHWTZOV-FRRDWIJNSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000569983915 323046437 /nfs/dbraw/zinc/04/64/37/323046437.db2.gz HWBIXNCXXICMGE-SSDOTTSWSA-N 2 1 223.267 0.214 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000570570891 323063538 /nfs/dbraw/zinc/06/35/38/323063538.db2.gz JNYBEPOHZVZATO-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000570667423 323066570 /nfs/dbraw/zinc/06/65/70/323066570.db2.gz NQOJLRUOZDXSAU-GARJFASQSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(F)C1 ZINC000572659708 323072710 /nfs/dbraw/zinc/07/27/10/323072710.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 1 218.316 0.733 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CSC)C1 ZINC000187923570 323083834 /nfs/dbraw/zinc/08/38/34/323083834.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000187923570 323083835 /nfs/dbraw/zinc/08/38/35/323083835.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 2 1 246.420 0.984 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CC(C)C1 ZINC000518792854 323085545 /nfs/dbraw/zinc/08/55/45/323085545.db2.gz VGLHKQMMVBUDMC-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CC(C)C1 ZINC000518792854 323085546 /nfs/dbraw/zinc/08/55/46/323085546.db2.gz VGLHKQMMVBUDMC-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503507 323089965 /nfs/dbraw/zinc/08/99/65/323089965.db2.gz SRCSQMGRXBSMRJ-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000563086451 323090517 /nfs/dbraw/zinc/09/05/17/323090517.db2.gz JTWVRLOVSCSACN-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000563118704 323093742 /nfs/dbraw/zinc/09/37/42/323093742.db2.gz BGLDYKDQZVEBOH-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136746 323094801 /nfs/dbraw/zinc/09/48/01/323094801.db2.gz UDLGWLOZIXGHIR-IJLUTSLNSA-N 3 1 227.352 0.034 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136746 323094802 /nfs/dbraw/zinc/09/48/02/323094802.db2.gz UDLGWLOZIXGHIR-IJLUTSLNSA-N 3 1 227.352 0.034 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000563150677 323095626 /nfs/dbraw/zinc/09/56/26/323095626.db2.gz VDWFXAPOICNBEF-ZDUSSCGKSA-N 3 1 240.395 0.095 20 0 BCADMP [NH3+]CC[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000563150677 323095627 /nfs/dbraw/zinc/09/56/27/323095627.db2.gz VDWFXAPOICNBEF-ZDUSSCGKSA-N 2 1 240.395 0.095 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)O ZINC000571040052 323104577 /nfs/dbraw/zinc/10/45/77/323104577.db2.gz QIOHWYNSXMKKAB-ZJUUUORDSA-N 2 1 211.309 0.798 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cncn1C ZINC000401651735 323105145 /nfs/dbraw/zinc/10/51/45/323105145.db2.gz QIIMSLKCPGIWID-YPMHNXCESA-N 2 1 236.363 0.892 20 0 BCADMP C[NH2+]C1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000563337720 323119121 /nfs/dbraw/zinc/11/91/21/323119121.db2.gz YSZLUXBGQQJBTB-UHFFFAOYSA-N 2 1 235.278 0.181 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309963883 323122643 /nfs/dbraw/zinc/12/26/43/323122643.db2.gz MPESRQUVRXMVRP-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309963881 323122660 /nfs/dbraw/zinc/12/26/60/323122660.db2.gz MPESRQUVRXMVRP-IJLUTSLNSA-N 2 1 230.352 0.456 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH2+]C1CC1 ZINC000563410929 323124548 /nfs/dbraw/zinc/12/45/48/323124548.db2.gz RMKADEINSGGXKF-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)C2CC2)C1 ZINC000563629834 323132605 /nfs/dbraw/zinc/13/26/05/323132605.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000563629834 323132606 /nfs/dbraw/zinc/13/26/06/323132606.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000563629834 323132607 /nfs/dbraw/zinc/13/26/07/323132607.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635885 323132719 /nfs/dbraw/zinc/13/27/19/323132719.db2.gz MCLLDIDUOPKOKU-NWDGAFQWSA-N 2 1 237.347 0.420 20 0 BCADMP CC[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571106577 323135737 /nfs/dbraw/zinc/13/57/37/323135737.db2.gz KFNGEANNPPANDH-LPEHRKFASA-N 2 1 211.309 0.029 20 0 BCADMP CC1(NC(=O)CC(F)(F)C[NH3+])CC[NH2+]CC1 ZINC000571412778 323144225 /nfs/dbraw/zinc/14/42/25/323144225.db2.gz HTBLKUPJXVAZFO-UHFFFAOYSA-N 2 1 235.278 0.229 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040921793 323158355 /nfs/dbraw/zinc/15/83/55/323158355.db2.gz JHOFEGXERBREBJ-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417614887 323177726 /nfs/dbraw/zinc/17/77/26/323177726.db2.gz WFIYALGGKZYEMP-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000563813229 323178853 /nfs/dbraw/zinc/17/88/53/323178853.db2.gz AGVRNAYILYPUCM-OLZOCXBDSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178051 323205442 /nfs/dbraw/zinc/20/54/42/323205442.db2.gz NWDUCGUWQOJERD-WDEREUQCSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH+]1CCC(NC[C@H]2COCC[NH2+]2)CC1 ZINC000530182711 323205827 /nfs/dbraw/zinc/20/58/27/323205827.db2.gz YHFPPHBBNVKZHG-ZDUSSCGKSA-N 2 1 241.379 0.437 20 0 BCADMP CCn1nncc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000530207784 323209427 /nfs/dbraw/zinc/20/94/27/323209427.db2.gz GCZIMQLMNJKFDS-IUCAKERBSA-N 2 1 211.313 0.513 20 0 BCADMP CN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000530220369 323218148 /nfs/dbraw/zinc/21/81/48/323218148.db2.gz UEXOASSJHZWKPM-AYLPWXGPSA-N 2 1 237.347 0.480 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397338435 324213314 /nfs/dbraw/zinc/21/33/14/324213314.db2.gz ZEDIGUHTEZIZBC-UPJWGTAASA-N 2 1 244.379 0.955 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000529132184 324250123 /nfs/dbraw/zinc/25/01/23/324250123.db2.gz JGDFFFUKBDREPB-UHFFFAOYSA-N 2 1 248.330 0.498 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000131249505 325130001 /nfs/dbraw/zinc/13/00/01/325130001.db2.gz LGJNGUWSLXCDPW-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000545873147 325240800 /nfs/dbraw/zinc/24/08/00/325240800.db2.gz JYLHPJMCXONRNL-NXEZZACHSA-N 2 1 248.330 0.497 20 0 BCADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1C ZINC000545873147 325240804 /nfs/dbraw/zinc/24/08/04/325240804.db2.gz JYLHPJMCXONRNL-NXEZZACHSA-N 2 1 248.330 0.497 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000134818627 325377909 /nfs/dbraw/zinc/37/79/09/325377909.db2.gz JVIYPXAKYUGWNS-UWVGGRQHSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000134818610 325378079 /nfs/dbraw/zinc/37/80/79/325378079.db2.gz JVIYPXAKYUGWNS-ZJUUUORDSA-N 2 1 227.352 0.428 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669477955 487969599 /nfs/dbraw/zinc/96/95/99/487969599.db2.gz GZBVJSROIVWJFG-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CC(O)C1)C1CC1 ZINC000566231740 326019979 /nfs/dbraw/zinc/01/99/79/326019979.db2.gz STRLXWNPCHTZMZ-KGPNIALWSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CC(O)C1)C1CC1 ZINC000566231740 326019981 /nfs/dbraw/zinc/01/99/81/326019981.db2.gz STRLXWNPCHTZMZ-KGPNIALWSA-N 2 1 242.363 0.192 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566243067 326021570 /nfs/dbraw/zinc/02/15/70/326021570.db2.gz SGXUHJUMPZWIGY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566243067 326021572 /nfs/dbraw/zinc/02/15/72/326021572.db2.gz SGXUHJUMPZWIGY-VXGBXAGGSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566243064 326021634 /nfs/dbraw/zinc/02/16/34/326021634.db2.gz SGXUHJUMPZWIGY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566243064 326021637 /nfs/dbraw/zinc/02/16/37/326021637.db2.gz SGXUHJUMPZWIGY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566442906 326048130 /nfs/dbraw/zinc/04/81/30/326048130.db2.gz VQUMUKLIZDTRIY-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571828 326065412 /nfs/dbraw/zinc/06/54/12/326065412.db2.gz JZDMNQSSRXMXKI-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000566614114 326067348 /nfs/dbraw/zinc/06/73/48/326067348.db2.gz LGFHTRQDOOIWCB-UTUOFQBUSA-N 3 1 211.353 0.846 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000567043452 326105435 /nfs/dbraw/zinc/10/54/35/326105435.db2.gz XGHYVLRYUNHWMG-DRZSPHRISA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000567043452 326105439 /nfs/dbraw/zinc/10/54/39/326105439.db2.gz XGHYVLRYUNHWMG-DRZSPHRISA-N 2 1 242.363 0.335 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000567175472 326129509 /nfs/dbraw/zinc/12/95/09/326129509.db2.gz MHQDUUUZRLIHQL-SECBINFHSA-N 2 1 247.289 0.323 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354090 326172491 /nfs/dbraw/zinc/17/24/91/326172491.db2.gz XAQWVDNWXXWZMI-WISYIIOYSA-N 2 1 239.363 0.522 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383455 326180279 /nfs/dbraw/zinc/18/02/79/326180279.db2.gz AGXPSBIKCDBZMN-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000310586596 326196079 /nfs/dbraw/zinc/19/60/79/326196079.db2.gz WBPOXRKUORDNJH-PHIMTYICSA-N 2 1 235.335 0.247 20 0 BCADMP COc1nccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000567521067 326209634 /nfs/dbraw/zinc/20/96/34/326209634.db2.gz OKIDDVDSDHVREM-VHSXEESVSA-N 2 1 236.319 0.845 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000567589362 326224271 /nfs/dbraw/zinc/22/42/71/326224271.db2.gz HTKCHEVDLARJID-LLVKDONJSA-N 2 1 240.347 0.871 20 0 BCADMP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000567811709 326261442 /nfs/dbraw/zinc/26/14/42/326261442.db2.gz AZPLPOHBHYXZFP-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000567897489 326278821 /nfs/dbraw/zinc/27/88/21/326278821.db2.gz VRGIAKFPMBVUDI-NSHDSACASA-N 2 1 213.325 0.182 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000567897488 326279000 /nfs/dbraw/zinc/27/90/00/326279000.db2.gz VRGIAKFPMBVUDI-LLVKDONJSA-N 2 1 213.325 0.182 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000567985750 326291378 /nfs/dbraw/zinc/29/13/78/326291378.db2.gz QLVGCNCMQRJDFG-PHIMTYICSA-N 2 1 248.330 0.655 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])CC[N@H+]1C ZINC000157876224 326298710 /nfs/dbraw/zinc/29/87/10/326298710.db2.gz MLPBAVRJPGXXPH-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP CN(CCC[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000158029089 326304882 /nfs/dbraw/zinc/30/48/82/326304882.db2.gz XJIJDVLFQCUDEL-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CCC[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000158029089 326304884 /nfs/dbraw/zinc/30/48/84/326304884.db2.gz XJIJDVLFQCUDEL-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CCC[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000158029089 326304885 /nfs/dbraw/zinc/30/48/85/326304885.db2.gz XJIJDVLFQCUDEL-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)C)C1 ZINC000568208103 326326207 /nfs/dbraw/zinc/32/62/07/326326207.db2.gz VAIYECHIVKYXLW-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531597 326327169 /nfs/dbraw/zinc/32/71/69/326327169.db2.gz XLJGAGCAHJFARF-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000568621818 326368074 /nfs/dbraw/zinc/36/80/74/326368074.db2.gz LBSIISGNQQVREC-YPMHNXCESA-N 2 1 242.363 0.624 20 0 BCADMP [NH3+]C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000568632738 326369232 /nfs/dbraw/zinc/36/92/32/326369232.db2.gz ZOZVNJVFNCVUHD-GFCCVEGCSA-N 2 1 228.336 0.605 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568866168 326380299 /nfs/dbraw/zinc/38/02/99/326380299.db2.gz FHDHLIKZHZAQQD-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568866168 326380300 /nfs/dbraw/zinc/38/03/00/326380300.db2.gz FHDHLIKZHZAQQD-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000569105955 326390418 /nfs/dbraw/zinc/39/04/18/326390418.db2.gz DFWHCWPBYBRLAT-CHWFTXMASA-N 2 1 225.336 0.323 20 0 BCADMP CSC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000569232714 326396413 /nfs/dbraw/zinc/39/64/13/326396413.db2.gz JSEZPZQBVPSFFV-JQWIXIFHSA-N 2 1 244.404 0.950 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000572731457 326407679 /nfs/dbraw/zinc/40/76/79/326407679.db2.gz ZPWRIDHSOSJWEA-NQMVMOMDSA-N 2 1 249.305 0.473 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134537039 487988019 /nfs/dbraw/zinc/98/80/19/487988019.db2.gz GEOQCBJKXFMHQQ-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396746126 488002996 /nfs/dbraw/zinc/00/29/96/488002996.db2.gz YTGLBORCILZGCI-ZYHUDNBSSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220875876 488004364 /nfs/dbraw/zinc/00/43/64/488004364.db2.gz IUXYTMNLPSZOGO-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826639 488012391 /nfs/dbraw/zinc/01/23/91/488012391.db2.gz OSNLQZZTFUSOBZ-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CC(C)([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084168776 488032251 /nfs/dbraw/zinc/03/22/51/488032251.db2.gz OOYOKFBLZVCMOQ-JTQLQIEISA-N 2 1 239.363 0.714 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226868744 488033116 /nfs/dbraw/zinc/03/31/16/488033116.db2.gz QBTHYYJPHZBXBS-GUBZILKMSA-N 2 1 213.325 0.193 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000310503668 488035501 /nfs/dbraw/zinc/03/55/01/488035501.db2.gz IQBRBEWPRVRIQQ-OLZOCXBDSA-N 2 1 246.395 0.948 20 0 BCADMP OC[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667552468 488042589 /nfs/dbraw/zinc/04/25/89/488042589.db2.gz HWKPQEXXSPCTCC-JTQLQIEISA-N 2 1 221.304 0.786 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493719 488043133 /nfs/dbraw/zinc/04/31/33/488043133.db2.gz IVXOUXZVYSQVGZ-RNJOBUHISA-N 3 1 223.364 0.703 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661828720 488055424 /nfs/dbraw/zinc/05/54/24/488055424.db2.gz VPPZRKKGIPEBOL-WOPDTQHZSA-N 2 1 242.363 0.192 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138401 488078765 /nfs/dbraw/zinc/07/87/65/488078765.db2.gz GMDGKFLGXDIRHB-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000389138954 488079564 /nfs/dbraw/zinc/07/95/64/488079564.db2.gz GNLACGJSRWLMAL-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673060 488079278 /nfs/dbraw/zinc/07/92/78/488079278.db2.gz IYBFLBZIVWCTJH-NWDGAFQWSA-N 3 1 209.337 0.281 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673060 488079282 /nfs/dbraw/zinc/07/92/82/488079282.db2.gz IYBFLBZIVWCTJH-NWDGAFQWSA-N 3 1 209.337 0.281 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000389167112 488079779 /nfs/dbraw/zinc/07/97/79/488079779.db2.gz MVAYYJVBIVHZSE-DCAQKATOSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173066 488079886 /nfs/dbraw/zinc/07/98/86/488079886.db2.gz OJCZUOAPNMEMDM-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC)C1 ZINC000389195346 488080973 /nfs/dbraw/zinc/08/09/73/488080973.db2.gz WZSUXHSHJBFXHA-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP [NH3+]CCC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000414692631 488083125 /nfs/dbraw/zinc/08/31/25/488083125.db2.gz CXHSKYJFKFYVBP-ZDUSSCGKSA-N 2 1 220.316 0.927 20 0 BCADMP CNC(=O)CCC[N@@H+](C)Cc1cnc(C)n1C ZINC000667674303 488083207 /nfs/dbraw/zinc/08/32/07/488083207.db2.gz BVEJFUIEFYYUAX-UHFFFAOYSA-N 2 1 238.335 0.687 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000230311903 488083653 /nfs/dbraw/zinc/08/36/53/488083653.db2.gz DTNMGZYMBZRQCI-QJPTWQEYSA-N 2 1 212.337 0.953 20 0 BCADMP CCCCC[N@H+](CCC[NH3+])CC(N)=O ZINC000414718976 488083844 /nfs/dbraw/zinc/08/38/44/488083844.db2.gz WYHVPJWTVAERPF-UHFFFAOYSA-N 2 1 201.314 0.313 20 0 BCADMP CCCCC[N@@H+](CCC[NH3+])CC(N)=O ZINC000414718976 488083848 /nfs/dbraw/zinc/08/38/48/488083848.db2.gz WYHVPJWTVAERPF-UHFFFAOYSA-N 2 1 201.314 0.313 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000257732500 488086064 /nfs/dbraw/zinc/08/60/64/488086064.db2.gz WMRQXHNTFNJDBZ-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CC[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000257902525 488091205 /nfs/dbraw/zinc/09/12/05/488091205.db2.gz DSYDGJAWSUGYPN-DTWKUNHWSA-N 2 1 222.292 0.913 20 0 BCADMP C[N@H+]1CC[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000257902527 488091249 /nfs/dbraw/zinc/09/12/49/488091249.db2.gz DSYDGJAWSUGYPN-IUCAKERBSA-N 2 1 222.292 0.913 20 0 BCADMP C[NH+]1CCC(Cc2nc(C[NH3+])no2)CC1 ZINC000257945854 488092589 /nfs/dbraw/zinc/09/25/89/488092589.db2.gz IILTVRQKYAEFEO-UHFFFAOYSA-N 2 1 210.281 0.413 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381275 488093775 /nfs/dbraw/zinc/09/37/75/488093775.db2.gz MXLRDVYYPUVTHL-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP c1nn2c(c1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712759 488098825 /nfs/dbraw/zinc/09/88/25/488098825.db2.gz OWBKKOCIQDQVLV-QWRGUYRKSA-N 2 1 232.331 0.481 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647346 488104580 /nfs/dbraw/zinc/10/45/80/488104580.db2.gz NAFPFLJLLPMJEW-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692484 488105846 /nfs/dbraw/zinc/10/58/46/488105846.db2.gz AVIMBLONNBWYAJ-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000237176887 488107096 /nfs/dbraw/zinc/10/70/96/488107096.db2.gz BMQPYRPJLZHKDQ-ZETCQYMHSA-N 2 1 242.348 0.187 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](COC)C1CC1 ZINC000397261666 488108960 /nfs/dbraw/zinc/10/89/60/488108960.db2.gz KKYDSQWXFUBBMO-VXGBXAGGSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](COC)C1CC1 ZINC000397261666 488108964 /nfs/dbraw/zinc/10/89/64/488108964.db2.gz KKYDSQWXFUBBMO-VXGBXAGGSA-N 2 1 230.352 0.314 20 0 BCADMP Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000389800311 488112196 /nfs/dbraw/zinc/11/21/96/488112196.db2.gz AEGGWRCVODWUQI-KOLCDFICSA-N 2 1 223.324 0.422 20 0 BCADMP Cn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000389834942 488116424 /nfs/dbraw/zinc/11/64/24/488116424.db2.gz MZQHUQXWPKOTKY-SCZZXKLOSA-N 2 1 209.297 0.032 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000389834943 488116549 /nfs/dbraw/zinc/11/65/49/488116549.db2.gz MZQHUQXWPKOTKY-WCBMZHEXSA-N 2 1 209.297 0.032 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000675783763 488122921 /nfs/dbraw/zinc/12/29/21/488122921.db2.gz AADBLRRBXKQZRJ-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000669514983 488125243 /nfs/dbraw/zinc/12/52/43/488125243.db2.gz ZDHDTGYPGMIMSD-ZJUUUORDSA-N 2 1 243.376 0.105 20 0 BCADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000399692545 487542879 /nfs/dbraw/zinc/54/28/79/487542879.db2.gz YMKBNQUSGLNPRO-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288564 487544463 /nfs/dbraw/zinc/54/44/63/487544463.db2.gz GHEKWEWLIBUUKE-OUAUKWLOSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000674288455 487549779 /nfs/dbraw/zinc/54/97/79/487549779.db2.gz ATOXWWMCQZGJID-WOPDTQHZSA-N 2 1 241.379 0.735 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C[NH2+]C(C)C ZINC000380571810 487480045 /nfs/dbraw/zinc/48/00/45/487480045.db2.gz OLAOYNDAUKOMAR-UHFFFAOYSA-N 2 1 224.308 0.306 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399504941 487488961 /nfs/dbraw/zinc/48/89/61/487488961.db2.gz XPVIIOLKMDIJPQ-AGIUHOORSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399504941 487488965 /nfs/dbraw/zinc/48/89/65/487488965.db2.gz XPVIIOLKMDIJPQ-AGIUHOORSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399504941 487488968 /nfs/dbraw/zinc/48/89/68/487488968.db2.gz XPVIIOLKMDIJPQ-AGIUHOORSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399504941 487488971 /nfs/dbraw/zinc/48/89/71/487488971.db2.gz XPVIIOLKMDIJPQ-AGIUHOORSA-N 2 1 244.379 0.533 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000300375671 487511679 /nfs/dbraw/zinc/51/16/79/487511679.db2.gz PUDUUIKLSKSJSW-GHMZBOCLSA-N 2 1 216.325 0.189 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)OC ZINC000300375192 487511726 /nfs/dbraw/zinc/51/17/26/487511726.db2.gz PHBZDRPOYORTHL-OUAUKWLOSA-N 2 1 216.325 0.317 20 0 BCADMP Cc1ncc(C[N@H+]2CCC[C@@](O)(CO)C2)n1C ZINC000668234699 487509602 /nfs/dbraw/zinc/50/96/02/487509602.db2.gz QXGHOOIWNWGRKK-LBPRGKRZSA-N 2 1 239.319 0.048 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)OC ZINC000300366937 487510825 /nfs/dbraw/zinc/51/08/25/487510825.db2.gz HNJBGWCCWDETKE-VWYCJHECSA-N 2 1 216.325 0.459 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293472 487523978 /nfs/dbraw/zinc/52/39/78/487523978.db2.gz HVUUZCLZIJYVKK-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCCO)C1CC1 ZINC000379897640 488156130 /nfs/dbraw/zinc/15/61/30/488156130.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCCO)C1CC1 ZINC000379897640 488156136 /nfs/dbraw/zinc/15/61/36/488156136.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCCO)C1CC1 ZINC000379897640 488156143 /nfs/dbraw/zinc/15/61/43/488156143.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCCO)C1CC1 ZINC000379897640 488156148 /nfs/dbraw/zinc/15/61/48/488156148.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+](C)C ZINC000674246314 487535365 /nfs/dbraw/zinc/53/53/65/487535365.db2.gz IZSGPIXOEIMBKT-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000397316367 487562329 /nfs/dbraw/zinc/56/23/29/487562329.db2.gz LGYPPPUGPURIIQ-CHWSQXEVSA-N 2 1 244.379 0.702 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000234358786 487804958 /nfs/dbraw/zinc/80/49/58/487804958.db2.gz UCBSJRILNQLVJU-NSHDSACASA-N 2 1 216.325 0.332 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352627 487930231 /nfs/dbraw/zinc/93/02/31/487930231.db2.gz GGVCSHZUKHQJNS-AVGNSLFASA-N 3 1 241.379 0.018 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352627 487930233 /nfs/dbraw/zinc/93/02/33/487930233.db2.gz GGVCSHZUKHQJNS-AVGNSLFASA-N 3 1 241.379 0.018 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOc2ccccc2C1 ZINC000093232483 488147153 /nfs/dbraw/zinc/14/71/53/488147153.db2.gz FXVIDDNUUPECAO-UHFFFAOYSA-N 2 1 236.315 0.856 20 0 BCADMP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000404434986 488159290 /nfs/dbraw/zinc/15/92/90/488159290.db2.gz QKWDSZGBOZYLGD-MWLCHTKSSA-N 2 1 223.324 0.515 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000449574839 488159784 /nfs/dbraw/zinc/15/97/84/488159784.db2.gz YYLFKPNONLSDRA-SCVCMEIPSA-N 2 1 243.326 0.274 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335569351 488165422 /nfs/dbraw/zinc/16/54/22/488165422.db2.gz XUSMAQHWCCJSHX-MWLCHTKSSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335569351 488165423 /nfs/dbraw/zinc/16/54/23/488165423.db2.gz XUSMAQHWCCJSHX-MWLCHTKSSA-N 2 1 213.325 0.134 20 0 BCADMP CC[C@H](C)[N@@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000380016251 488168109 /nfs/dbraw/zinc/16/81/09/488168109.db2.gz LVECXPSMTVOWPE-QWHCGFSZSA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000380016251 488168115 /nfs/dbraw/zinc/16/81/15/488168115.db2.gz LVECXPSMTVOWPE-QWHCGFSZSA-N 2 1 246.395 0.780 20 0 BCADMP CC[C@H](C)[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380016251 488168118 /nfs/dbraw/zinc/16/81/18/488168118.db2.gz LVECXPSMTVOWPE-QWHCGFSZSA-N 2 1 246.395 0.780 20 0 BCADMP C[NH2+]C1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000085417342 488169178 /nfs/dbraw/zinc/16/91/78/488169178.db2.gz BXQSPNSWMUZYOP-UHFFFAOYSA-N 2 1 235.335 0.731 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CO)C1 ZINC000678043380 488178931 /nfs/dbraw/zinc/17/89/31/488178931.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678043380 488178934 /nfs/dbraw/zinc/17/89/34/488178934.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 2 1 214.353 0.888 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678043380 488178938 /nfs/dbraw/zinc/17/89/38/488178938.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 2 1 214.353 0.888 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000519760441 488188553 /nfs/dbraw/zinc/18/85/53/488188553.db2.gz RBXGGMPXGLAIOS-XQQFMLRXSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[N@@H+](C)C1CC1 ZINC000668096111 488201910 /nfs/dbraw/zinc/20/19/10/488201910.db2.gz YZAIRLFYTWZLCN-JTQLQIEISA-N 2 1 239.363 0.680 20 0 BCADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673660828 488301418 /nfs/dbraw/zinc/30/14/18/488301418.db2.gz DWQFGDLXTGKQKB-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000120980627 490072807 /nfs/dbraw/zinc/07/28/07/490072807.db2.gz FIAIDEIXKLORQM-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP C[C@@H](CO)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000120980627 490072809 /nfs/dbraw/zinc/07/28/09/490072809.db2.gz FIAIDEIXKLORQM-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP CCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686072 490200367 /nfs/dbraw/zinc/20/03/67/490200367.db2.gz XJXBAZUPAVWEBN-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686072 490200374 /nfs/dbraw/zinc/20/03/74/490200374.db2.gz XJXBAZUPAVWEBN-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000078743792 490224045 /nfs/dbraw/zinc/22/40/45/490224045.db2.gz YUAWTYUMNQRPBP-RYUDHWBXSA-N 2 1 241.379 0.737 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000132940087 490276288 /nfs/dbraw/zinc/27/62/88/490276288.db2.gz ZSVOJCIHJKFJLB-UWVGGRQHSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685695 491090508 /nfs/dbraw/zinc/09/05/08/491090508.db2.gz IYWBNNSVPRUICU-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[C@H](C(=O)NCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269137929 491108736 /nfs/dbraw/zinc/10/87/36/491108736.db2.gz SEIXUZVNUMRPKE-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H](C(=O)NCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269137931 491108753 /nfs/dbraw/zinc/10/87/53/491108753.db2.gz SEIXUZVNUMRPKE-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCO1 ZINC000336748192 491118161 /nfs/dbraw/zinc/11/81/61/491118161.db2.gz SKWXIMWIJBBKMK-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000336748192 491118163 /nfs/dbraw/zinc/11/81/63/491118163.db2.gz SKWXIMWIJBBKMK-QJPTWQEYSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@H+]1C ZINC000132354790 491135521 /nfs/dbraw/zinc/13/55/21/491135521.db2.gz MLMJIWKPROKQQN-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000309510448 491150571 /nfs/dbraw/zinc/15/05/71/491150571.db2.gz PBIKSTHDKFOLHC-UHFFFAOYSA-N 2 1 219.292 0.486 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000334294526 535632758 /nfs/dbraw/zinc/63/27/58/535632758.db2.gz TZUHMBIEZXKSNG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000334294526 535632762 /nfs/dbraw/zinc/63/27/62/535632762.db2.gz TZUHMBIEZXKSNG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000334294526 535632764 /nfs/dbraw/zinc/63/27/64/535632764.db2.gz TZUHMBIEZXKSNG-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000891394839 582676794 /nfs/dbraw/zinc/67/67/94/582676794.db2.gz ZTOAGFNSXRORMO-UHFFFAOYSA-N 2 1 225.380 0.966 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217809922 535678150 /nfs/dbraw/zinc/67/81/50/535678150.db2.gz BOLWRWIITSUELP-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400768843 534064211 /nfs/dbraw/zinc/06/42/11/534064211.db2.gz ZSBUBHFNCMYSGA-FRRDWIJNSA-N 2 1 241.379 0.437 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004177 582821855 /nfs/dbraw/zinc/82/18/55/582821855.db2.gz DNPLQPUJGSVXDZ-SNVBAGLBSA-N 2 1 212.341 0.851 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[N@H+]1C ZINC000137448506 582873008 /nfs/dbraw/zinc/87/30/08/582873008.db2.gz KKQPPIOPTIUYRQ-JLLWLGSASA-N 2 1 239.363 0.713 20 0 BCADMP O=C1OC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000497098683 534817855 /nfs/dbraw/zinc/81/78/55/534817855.db2.gz LVPWBFYQILJNSM-NSHDSACASA-N 2 1 239.319 0.122 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)COC)C[C@@H]1C ZINC000508874981 527754593 /nfs/dbraw/zinc/75/45/93/527754593.db2.gz PLPOUKIMAULKGI-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C[C@@H]1C ZINC000508874981 527754598 /nfs/dbraw/zinc/75/45/98/527754598.db2.gz PLPOUKIMAULKGI-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C[C@@H]1C ZINC000508874981 527754601 /nfs/dbraw/zinc/75/46/01/527754601.db2.gz PLPOUKIMAULKGI-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062130 527759730 /nfs/dbraw/zinc/75/97/30/527759730.db2.gz ZKWIPNPDBRIZDV-ISALQUGTSA-N 2 1 225.336 0.315 20 0 BCADMP COCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250170113 536515794 /nfs/dbraw/zinc/51/57/94/536515794.db2.gz MGHHBVXEQZZEFE-OLZOCXBDSA-N 2 1 242.363 0.866 20 0 BCADMP COCCOC[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261568611 536533926 /nfs/dbraw/zinc/53/39/26/536533926.db2.gz FQKFSEFSLKHRCA-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261568611 536533929 /nfs/dbraw/zinc/53/39/29/536533929.db2.gz FQKFSEFSLKHRCA-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400358577 528260863 /nfs/dbraw/zinc/26/08/63/528260863.db2.gz BHGSGQJTKVBUFA-OUAUKWLOSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494681296 528495004 /nfs/dbraw/zinc/49/50/04/528495004.db2.gz KLFUMUDNVRYOQQ-QJPTWQEYSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494653031 528814105 /nfs/dbraw/zinc/81/41/05/528814105.db2.gz JZBDKNAAQBQKMK-LLVKDONJSA-N 2 1 229.368 0.960 20 0 BCADMP CC[N@H+]1CCN(C(=O)/C=C/C[NH+](C)C)[C@H](C)C1 ZINC000492808029 529109259 /nfs/dbraw/zinc/10/92/59/529109259.db2.gz ZDAOFVYGRLKDEF-NNNHXZLVSA-N 2 1 239.363 0.657 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457181 529125141 /nfs/dbraw/zinc/12/51/41/529125141.db2.gz QEKTWOFVRAMBSN-QWRGUYRKSA-N 2 1 227.352 0.631 20 0 BCADMP CCCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667279 535004768 /nfs/dbraw/zinc/00/47/68/535004768.db2.gz IANYMEOCBPTUNO-WDEREUQCSA-N 2 1 240.351 0.374 20 0 BCADMP CC(C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262067785 535049892 /nfs/dbraw/zinc/04/98/92/535049892.db2.gz JSISWQDGRNFCQS-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698800 535071219 /nfs/dbraw/zinc/07/12/19/535071219.db2.gz PFPZHDTWRXWVKG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698800 535071223 /nfs/dbraw/zinc/07/12/23/535071223.db2.gz PFPZHDTWRXWVKG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000262461398 535134109 /nfs/dbraw/zinc/13/41/09/535134109.db2.gz XQEJZBPOLWSMME-LBPRGKRZSA-N 2 1 238.379 0.903 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000168721510 535137784 /nfs/dbraw/zinc/13/77/84/535137784.db2.gz CLLDMTVQIPSRJG-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(OCCO)CC1 ZINC000261580251 535197181 /nfs/dbraw/zinc/19/71/81/535197181.db2.gz MUXVECOWTQCVFH-UHFFFAOYSA-N 2 1 216.325 0.197 20 0 BCADMP CC(C)N1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261798774 535227679 /nfs/dbraw/zinc/22/76/79/535227679.db2.gz OAEVIGOCPYZGOG-DGCLKSJQSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261798774 535227681 /nfs/dbraw/zinc/22/76/81/535227681.db2.gz OAEVIGOCPYZGOG-DGCLKSJQSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252687225 535450400 /nfs/dbraw/zinc/45/04/00/535450400.db2.gz KYHCMEQZAAJGIY-UWVGGRQHSA-N 2 1 215.341 0.556 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252687225 535450404 /nfs/dbraw/zinc/45/04/04/535450404.db2.gz KYHCMEQZAAJGIY-UWVGGRQHSA-N 2 1 215.341 0.556 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380576 535495067 /nfs/dbraw/zinc/49/50/67/535495067.db2.gz NKWFGZQEJBCDBM-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335305552 535514453 /nfs/dbraw/zinc/51/44/53/535514453.db2.gz QMOXPOXRGSEDRX-QWRGUYRKSA-N 2 1 242.367 0.459 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000336212433 535758568 /nfs/dbraw/zinc/75/85/68/535758568.db2.gz WKJIWUXAGTVOTF-RYUDHWBXSA-N 2 1 245.342 0.664 20 0 BCADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000086435479 535842246 /nfs/dbraw/zinc/84/22/46/535842246.db2.gz SQCBPYFKOICROT-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP CC[C@]1(C(=O)N2CC[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000261540343 535879363 /nfs/dbraw/zinc/87/93/63/535879363.db2.gz GFLNBDKCBKUYJD-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@]1(C(=O)N2CC[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000261540343 535879369 /nfs/dbraw/zinc/87/93/69/535879369.db2.gz GFLNBDKCBKUYJD-DGCLKSJQSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000336041362 535957909 /nfs/dbraw/zinc/95/79/09/535957909.db2.gz KVUNHELKXSTBSP-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000336041365 535959303 /nfs/dbraw/zinc/95/93/03/535959303.db2.gz KVUNHELKXSTBSP-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000261569155 536150894 /nfs/dbraw/zinc/15/08/94/536150894.db2.gz GFDYYSYAMMNMKT-MNOVXSKESA-N 2 1 216.325 0.461 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261695198 536344590 /nfs/dbraw/zinc/34/45/90/536344590.db2.gz BSOYQCOTAYUEIJ-CMPLNLGQSA-N 2 1 227.352 0.300 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416240 536373145 /nfs/dbraw/zinc/37/31/45/536373145.db2.gz IZQHUBGGEJFXMT-GHMZBOCLSA-N 2 1 240.351 0.132 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178867113 536462859 /nfs/dbraw/zinc/46/28/59/536462859.db2.gz GXZMZFMCLFEAIP-AXFHLTTASA-N 2 1 239.363 0.583 20 0 BCADMP COC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000171971691 536729396 /nfs/dbraw/zinc/72/93/96/536729396.db2.gz OVPIBZIKBFKPEM-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC000178993069 582958604 /nfs/dbraw/zinc/95/86/04/582958604.db2.gz DNMXSXBOBSLDLX-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000892061419 582780160 /nfs/dbraw/zinc/78/01/60/582780160.db2.gz HYJAFIFCKVSMHP-MXWKQRLJSA-N 2 1 240.351 0.069 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000848997339 582820919 /nfs/dbraw/zinc/82/09/19/582820919.db2.gz AAZPTBFPFCQSAL-UHFFFAOYSA-N 2 1 210.325 0.747 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000848997339 582820922 /nfs/dbraw/zinc/82/09/22/582820922.db2.gz AAZPTBFPFCQSAL-UHFFFAOYSA-N 2 1 210.325 0.747 20 0 BCADMP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021158 582828514 /nfs/dbraw/zinc/82/85/14/582828514.db2.gz WNFUOPXDHUIZNQ-UHFFFAOYSA-N 2 1 242.367 0.479 20 0 BCADMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021158 582828518 /nfs/dbraw/zinc/82/85/18/582828518.db2.gz WNFUOPXDHUIZNQ-UHFFFAOYSA-N 2 1 242.367 0.479 20 0 BCADMP COC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043548 582839964 /nfs/dbraw/zinc/83/99/64/582839964.db2.gz PASOGCRFVOXWCQ-VIFPVBQESA-N 2 1 228.340 0.229 20 0 BCADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2CO)CC[N@H+]1C ZINC000892673850 582948504 /nfs/dbraw/zinc/94/85/04/582948504.db2.gz OZRBUSACYUMDJV-ZYHUDNBSSA-N 2 1 235.331 0.890 20 0 BCADMP Cc1cc(N)nc(N2CC[C@H]([NH+]3CC=CC3)C2)[nH+]1 ZINC000892678509 582951302 /nfs/dbraw/zinc/95/13/02/582951302.db2.gz BGYKNFRWOKPPAA-NSHDSACASA-N 2 1 245.330 0.818 20 0 BCADMP COCCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892947183 583016314 /nfs/dbraw/zinc/01/63/14/583016314.db2.gz YPKYNHDQLQWCRW-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP CCn1ncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000857084407 588886678 /nfs/dbraw/zinc/88/66/78/588886678.db2.gz RRKZQHJLNFNJRA-SNVBAGLBSA-N 2 1 237.351 0.857 20 0 BCADMP CCn1ncc(C[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC000857083553 588885859 /nfs/dbraw/zinc/88/58/59/588885859.db2.gz DWJDMJQHFRPGTD-UHFFFAOYSA-N 2 1 237.351 0.729 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000857108097 588888534 /nfs/dbraw/zinc/88/85/34/588888534.db2.gz BVRYHYZQKBHKFZ-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP Cc1ccnc(N)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000894097162 583301486 /nfs/dbraw/zinc/30/14/86/583301486.db2.gz DBBJVQLKPQXVKJ-QWRGUYRKSA-N 2 1 232.331 0.623 20 0 BCADMP O[C@H](C[NH2+]Cc1c[nH]cn1)COc1ccccc1 ZINC000894167461 583324157 /nfs/dbraw/zinc/32/41/57/583324157.db2.gz ZVJMFRRCLBRQEH-GFCCVEGCSA-N 2 1 247.298 0.939 20 0 BCADMP c1nc(C[NH2+]CCCC[NH+]2CCOCC2)c[nH]1 ZINC000894183173 583331044 /nfs/dbraw/zinc/33/10/44/583331044.db2.gz LKGLBJNVKZEIIG-UHFFFAOYSA-N 2 1 238.335 0.612 20 0 BCADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC(=O)N1 ZINC000894728050 583513702 /nfs/dbraw/zinc/51/37/02/583513702.db2.gz CDYKPFDLELHVEV-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC(=O)N1 ZINC000894728050 583513705 /nfs/dbraw/zinc/51/37/05/583513705.db2.gz CDYKPFDLELHVEV-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCCC1 ZINC000895685130 583709486 /nfs/dbraw/zinc/70/94/86/583709486.db2.gz KDUVPXSWGBIIQB-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000896023325 583764638 /nfs/dbraw/zinc/76/46/38/583764638.db2.gz ZYFQGHBNLKMYAN-RYUDHWBXSA-N 2 1 210.321 0.395 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000883440552 583812484 /nfs/dbraw/zinc/81/24/84/583812484.db2.gz SZRFTMZTLSJOSN-QWHCGFSZSA-N 2 1 234.347 0.789 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441096 583813936 /nfs/dbraw/zinc/81/39/36/583813936.db2.gz HDMHIETTZDRYLX-ZDEQEGDKSA-N 2 1 241.354 0.855 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000896667631 583821874 /nfs/dbraw/zinc/82/18/74/583821874.db2.gz JOVSNKZHUWBVRA-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000896667631 583821876 /nfs/dbraw/zinc/82/18/76/583821876.db2.gz JOVSNKZHUWBVRA-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000896667631 583821877 /nfs/dbraw/zinc/82/18/77/583821877.db2.gz JOVSNKZHUWBVRA-TUAOUCFPSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH+](C)CC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000727933277 583837918 /nfs/dbraw/zinc/83/79/18/583837918.db2.gz QNMZTSJJGNONGX-UHFFFAOYSA-N 2 1 248.392 0.305 20 0 BCADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000897287933 583910483 /nfs/dbraw/zinc/91/04/83/583910483.db2.gz NOKOBPCFXUYQQI-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000897287933 583910484 /nfs/dbraw/zinc/91/04/84/583910484.db2.gz NOKOBPCFXUYQQI-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897287933 583910486 /nfs/dbraw/zinc/91/04/86/583910486.db2.gz NOKOBPCFXUYQQI-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897287933 583910487 /nfs/dbraw/zinc/91/04/87/583910487.db2.gz NOKOBPCFXUYQQI-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729687089 584023342 /nfs/dbraw/zinc/02/33/42/584023342.db2.gz QKTOXJSZLQOBTA-RYUDHWBXSA-N 2 1 241.379 0.641 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898598889 584144411 /nfs/dbraw/zinc/14/44/11/584144411.db2.gz FPPMWUQQIXNJRB-GFCCVEGCSA-N 2 1 237.347 0.387 20 0 BCADMP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+](C)C ZINC000899265044 584189090 /nfs/dbraw/zinc/18/90/90/584189090.db2.gz RNMYCBHAODPCLH-IUCAKERBSA-N 2 1 212.341 0.849 20 0 BCADMP Cc1cnccc1NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900618379 584332134 /nfs/dbraw/zinc/33/21/34/584332134.db2.gz JYNIDIKNXJRLOJ-MFKMUULPSA-N 2 1 249.314 0.206 20 0 BCADMP Cc1cnccc1NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900618379 584332136 /nfs/dbraw/zinc/33/21/36/584332136.db2.gz JYNIDIKNXJRLOJ-MFKMUULPSA-N 2 1 249.314 0.206 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000900667851 584337378 /nfs/dbraw/zinc/33/73/78/584337378.db2.gz UWCRBRQFHVFORL-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000900667851 584337381 /nfs/dbraw/zinc/33/73/81/584337381.db2.gz UWCRBRQFHVFORL-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000900667851 584337384 /nfs/dbraw/zinc/33/73/84/584337384.db2.gz UWCRBRQFHVFORL-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000901306359 584420080 /nfs/dbraw/zinc/42/00/80/584420080.db2.gz JZCGHJOQKREARC-WOPDTQHZSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000901284415 584421436 /nfs/dbraw/zinc/42/14/36/584421436.db2.gz CJIBLTLEKYNYSN-WOPDTQHZSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000901284415 584421437 /nfs/dbraw/zinc/42/14/37/584421437.db2.gz CJIBLTLEKYNYSN-WOPDTQHZSA-N 2 1 241.379 0.878 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]CCCON)[C@H]2CCC[C@H]21 ZINC000902416636 584590230 /nfs/dbraw/zinc/59/02/30/584590230.db2.gz VHXOMWCDVUICFB-GRYCIOLGSA-N 2 1 227.352 0.729 20 0 BCADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000902416942 584590921 /nfs/dbraw/zinc/59/09/21/584590921.db2.gz PWVDGRHAPISZHQ-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449431 584606114 /nfs/dbraw/zinc/60/61/14/584606114.db2.gz OGFFCOYSXORZRA-WDEREUQCSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCC[NH2+]1 ZINC000902450910 584606960 /nfs/dbraw/zinc/60/69/60/584606960.db2.gz DNXGNEYEOORPIJ-YNRVRDPVSA-N 2 1 222.332 0.892 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452119 584607324 /nfs/dbraw/zinc/60/73/24/584607324.db2.gz IVYWIOMIVUMCKG-DDPKUIBDSA-N 2 1 222.332 0.892 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@H+]1C ZINC000902464875 584613201 /nfs/dbraw/zinc/61/32/01/584613201.db2.gz DHRBAWBGBKNTPX-NZEXEKPDSA-N 2 1 223.364 0.952 20 0 BCADMP OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902467680 584614976 /nfs/dbraw/zinc/61/49/76/584614976.db2.gz RGLBHDLWGNYRSK-MNRJGNLVSA-N 2 1 210.321 0.772 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469276 584615758 /nfs/dbraw/zinc/61/57/58/584615758.db2.gz VNLUXSMFYWQZSE-GUDWOMEESA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469276 584615759 /nfs/dbraw/zinc/61/57/59/584615759.db2.gz VNLUXSMFYWQZSE-GUDWOMEESA-N 2 1 235.375 0.857 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000902490061 584617703 /nfs/dbraw/zinc/61/77/03/584617703.db2.gz RHZLXOBFOKWXMO-YFKTTZPYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1C ZINC000902490061 584617705 /nfs/dbraw/zinc/61/77/05/584617705.db2.gz RHZLXOBFOKWXMO-YFKTTZPYSA-N 3 1 211.353 0.796 20 0 BCADMP Nc1nc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000902503314 584620563 /nfs/dbraw/zinc/62/05/63/584620563.db2.gz WJIRNXUYMUNOCQ-APPZFPTMSA-N 2 1 226.349 0.942 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902501411 584620920 /nfs/dbraw/zinc/62/09/20/584620920.db2.gz AYWCSDYLIXIEDA-USWWRNFRSA-N 2 1 212.337 0.735 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000902513323 584622975 /nfs/dbraw/zinc/62/29/75/584622975.db2.gz FIYYKJRIKPODCR-AXFHLTTASA-N 2 1 216.325 0.114 20 0 BCADMP [NH3+]C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000902485912 584625314 /nfs/dbraw/zinc/62/53/14/584625314.db2.gz BDVQWXFIKIJGLY-UMSPYCQHSA-N 3 1 223.364 0.940 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903432408 584761960 /nfs/dbraw/zinc/76/19/60/584761960.db2.gz AWIMPLXRMCWXEB-TUAOUCFPSA-N 2 1 239.363 0.844 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439112 584762815 /nfs/dbraw/zinc/76/28/15/584762815.db2.gz DPLPNPDVTWWSER-MNOVXSKESA-N 2 1 200.326 0.546 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424969 584764910 /nfs/dbraw/zinc/76/49/10/584764910.db2.gz NPJJDXGJQDOLIZ-NDBYEHHHSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424969 584764911 /nfs/dbraw/zinc/76/49/11/584764911.db2.gz NPJJDXGJQDOLIZ-NDBYEHHHSA-N 3 1 225.380 0.901 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CCC3(CC[NH2+]3)CC2)C1 ZINC000903460039 584766867 /nfs/dbraw/zinc/76/68/67/584766867.db2.gz VDTVIEXUBLWZAP-NWDGAFQWSA-N 2 1 223.364 0.942 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447398 584770869 /nfs/dbraw/zinc/77/08/69/584770869.db2.gz QVDWSIQQDRUALE-KKOKHZNYSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447398 584770870 /nfs/dbraw/zinc/77/08/70/584770870.db2.gz QVDWSIQQDRUALE-KKOKHZNYSA-N 3 1 211.353 0.511 20 0 BCADMP [NH3+]CC[N@H+](CCO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903449605 584771518 /nfs/dbraw/zinc/77/15/18/584771518.db2.gz VOKQDGPFXOYVLJ-ILWJIGKKSA-N 2 1 234.290 0.531 20 0 BCADMP [NH3+]CC[N@@H+](CCO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903449605 584771519 /nfs/dbraw/zinc/77/15/19/584771519.db2.gz VOKQDGPFXOYVLJ-ILWJIGKKSA-N 2 1 234.290 0.531 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCC1 ZINC000903453917 584772625 /nfs/dbraw/zinc/77/26/25/584772625.db2.gz PIPKGTGBGBJGMV-MNOVXSKESA-N 2 1 211.353 0.927 20 0 BCADMP COCC[N@@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454583 584773290 /nfs/dbraw/zinc/77/32/90/584773290.db2.gz CXAAIJVRQXZLAV-MNOVXSKESA-N 2 1 244.335 0.235 20 0 BCADMP COCC[N@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454583 584773292 /nfs/dbraw/zinc/77/32/92/584773292.db2.gz CXAAIJVRQXZLAV-MNOVXSKESA-N 2 1 244.335 0.235 20 0 BCADMP CCN1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456055 584773982 /nfs/dbraw/zinc/77/39/82/584773982.db2.gz DKVQWFZBFHQNMX-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457242 584774241 /nfs/dbraw/zinc/77/42/41/584774241.db2.gz OTTZWHWEQMBBFS-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ncncc3C2)C1 ZINC000903481761 584778040 /nfs/dbraw/zinc/77/80/40/584778040.db2.gz MBPDQUGSQQLEKX-CMPLNLGQSA-N 2 1 232.331 0.962 20 0 BCADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481495 584778109 /nfs/dbraw/zinc/77/81/09/584778109.db2.gz DQMRJQVQIWUCKE-MROQNXINSA-N 2 1 242.363 0.850 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484604 584779420 /nfs/dbraw/zinc/77/94/20/584779420.db2.gz SRRUGGABXZVFIL-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903499199 584780343 /nfs/dbraw/zinc/78/03/43/584780343.db2.gz JNDQMTYZIOJZNN-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716543 584791866 /nfs/dbraw/zinc/79/18/66/584791866.db2.gz OPTYMLYEQAUGHK-YNEHKIRRSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716541 584791913 /nfs/dbraw/zinc/79/19/13/584791913.db2.gz OPTYMLYEQAUGHK-RWMBFGLXSA-N 3 1 239.363 0.036 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732597 584792974 /nfs/dbraw/zinc/79/29/74/584792974.db2.gz GRQJPWQFXKPTSR-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903712555 584793104 /nfs/dbraw/zinc/79/31/04/584793104.db2.gz NTTVQAJOYAHCFY-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903716052 584794162 /nfs/dbraw/zinc/79/41/62/584794162.db2.gz GWIKKUGYXPOWOS-YFKTTZPYSA-N 2 1 240.347 0.855 20 0 BCADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748871 584794953 /nfs/dbraw/zinc/79/49/53/584794953.db2.gz CAYHNVLYJWCVJU-TUUUFIMRSA-N 3 1 239.363 0.177 20 0 BCADMP CN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748871 584794954 /nfs/dbraw/zinc/79/49/54/584794954.db2.gz CAYHNVLYJWCVJU-TUUUFIMRSA-N 2 1 239.363 0.177 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903753700 584796284 /nfs/dbraw/zinc/79/62/84/584796284.db2.gz XDQLTOZXRHHQEZ-RHYQMDGZSA-N 2 1 242.363 0.753 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000903742546 584796410 /nfs/dbraw/zinc/79/64/10/584796410.db2.gz CRKHMNCVDHLQOS-NOOOWODRSA-N 2 1 240.347 0.855 20 0 BCADMP COCC(COC)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903769527 584798148 /nfs/dbraw/zinc/79/81/48/584798148.db2.gz IGMNQLUDTDDPIZ-ZYHUDNBSSA-N 2 1 228.336 0.461 20 0 BCADMP COCC(COC)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903769527 584798149 /nfs/dbraw/zinc/79/81/49/584798149.db2.gz IGMNQLUDTDDPIZ-ZYHUDNBSSA-N 2 1 228.336 0.461 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755421 584798462 /nfs/dbraw/zinc/79/84/62/584798462.db2.gz GYRVHRMEWKGYSM-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]1CCCC[NH2+]C1 ZINC000903786357 584800396 /nfs/dbraw/zinc/80/03/96/584800396.db2.gz HOMXLSJYDZSWQC-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903785489 584800515 /nfs/dbraw/zinc/80/05/15/584800515.db2.gz ZABCUYBIUKSADP-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP CSC[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810038 584803518 /nfs/dbraw/zinc/80/35/18/584803518.db2.gz SJKAFHCRHXLIIH-SNVBAGLBSA-N 2 1 248.392 0.150 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903810038 584803519 /nfs/dbraw/zinc/80/35/19/584803519.db2.gz SJKAFHCRHXLIIH-SNVBAGLBSA-N 2 1 248.392 0.150 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829598 584805747 /nfs/dbraw/zinc/80/57/47/584805747.db2.gz IDNPGNGKQBRHPT-IJLUTSLNSA-N 2 1 240.347 0.474 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833447 584806280 /nfs/dbraw/zinc/80/62/80/584806280.db2.gz WVOAHQBNXYJEFB-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842963 584807766 /nfs/dbraw/zinc/80/77/66/584807766.db2.gz YWHJGLPTXDOVSE-RVMXOQNASA-N 3 1 223.364 0.798 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1=O ZINC000903854190 584808610 /nfs/dbraw/zinc/80/86/10/584808610.db2.gz IVVGZVIRDNBDBU-TZMCWYRMSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1=O ZINC000903854190 584808611 /nfs/dbraw/zinc/80/86/11/584808611.db2.gz IVVGZVIRDNBDBU-TZMCWYRMSA-N 2 1 247.342 0.699 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000903856831 584810003 /nfs/dbraw/zinc/81/00/03/584810003.db2.gz BFVFENAMWDGYCU-NQBHXWOUSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCc2ncnn21 ZINC000903856831 584810004 /nfs/dbraw/zinc/81/00/04/584810004.db2.gz BFVFENAMWDGYCU-NQBHXWOUSA-N 2 1 247.346 0.579 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864092 584812922 /nfs/dbraw/zinc/81/29/22/584812922.db2.gz RCVKNLTZWKNDHU-AXFHLTTASA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864092 584812924 /nfs/dbraw/zinc/81/29/24/584812924.db2.gz RCVKNLTZWKNDHU-AXFHLTTASA-N 2 1 230.377 0.524 20 0 BCADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869890 584814630 /nfs/dbraw/zinc/81/46/30/584814630.db2.gz KFVOMNYXKXYLHL-STQMWFEESA-N 3 1 223.364 0.814 20 0 BCADMP C(CN1CCC[C@@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869890 584814631 /nfs/dbraw/zinc/81/46/31/584814631.db2.gz KFVOMNYXKXYLHL-STQMWFEESA-N 2 1 223.364 0.814 20 0 BCADMP O[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903884241 584818558 /nfs/dbraw/zinc/81/85/58/584818558.db2.gz VNZSHXNWHJBGTF-YATPEIPISA-N 2 1 210.321 0.584 20 0 BCADMP O[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903883296 584818601 /nfs/dbraw/zinc/81/86/01/584818601.db2.gz HHCFGUSIXYPATA-ZDUSSCGKSA-N 2 1 232.327 0.899 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903884829 584818689 /nfs/dbraw/zinc/81/86/89/584818689.db2.gz GZQMSCYHUINGAI-YUMQZZPRSA-N 2 1 238.278 0.710 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903884829 584818690 /nfs/dbraw/zinc/81/86/90/584818690.db2.gz GZQMSCYHUINGAI-YUMQZZPRSA-N 2 1 238.278 0.710 20 0 BCADMP OC[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885730 584819249 /nfs/dbraw/zinc/81/92/49/584819249.db2.gz KBPIAXNNVISOAZ-PSEXLTFBSA-N 2 1 224.348 0.974 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908990 584821503 /nfs/dbraw/zinc/82/15/03/584821503.db2.gz CEMPUECEOCIMHX-LDYMZIIASA-N 2 1 249.305 0.427 20 0 BCADMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908990 584821504 /nfs/dbraw/zinc/82/15/04/584821504.db2.gz CEMPUECEOCIMHX-LDYMZIIASA-N 2 1 249.305 0.427 20 0 BCADMP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@@H](C)C[N@H+]1C ZINC000903908255 584821652 /nfs/dbraw/zinc/82/16/52/584821652.db2.gz FUSQNSIKRWWQDZ-UTLUCORTSA-N 2 1 235.322 0.993 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]([NH3+])CC(F)F ZINC000903908254 584821771 /nfs/dbraw/zinc/82/17/71/584821771.db2.gz FUSQNSIKRWWQDZ-OPRDCNLKSA-N 2 1 235.322 0.993 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910564 584822110 /nfs/dbraw/zinc/82/21/10/584822110.db2.gz NWQFINJPISGBOC-OIBJUYFYSA-N 2 1 235.278 0.166 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910564 584822111 /nfs/dbraw/zinc/82/21/11/584822111.db2.gz NWQFINJPISGBOC-OIBJUYFYSA-N 2 1 235.278 0.166 20 0 BCADMP CC[C@@H](N)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918722 584822667 /nfs/dbraw/zinc/82/26/67/584822667.db2.gz GEVQPDYFUMPMBB-RDFFEMEHSA-N 2 1 211.353 0.844 20 0 BCADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920443 584822885 /nfs/dbraw/zinc/82/28/85/584822885.db2.gz VEBSMPGWJHRFHW-PSEXLTFBSA-N 3 1 223.364 0.859 20 0 BCADMP N[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903919255 584823166 /nfs/dbraw/zinc/82/31/66/584823166.db2.gz LHHCRHMGTQEZLG-PLKNYFGKSA-N 2 1 223.364 0.844 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000903931644 584824822 /nfs/dbraw/zinc/82/48/22/584824822.db2.gz HCYHSWSWBPUMQB-YUMQZZPRSA-N 2 1 222.279 0.814 20 0 BCADMP CNC[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932726 584824897 /nfs/dbraw/zinc/82/48/97/584824897.db2.gz GBLJLXKKQZJPPG-YEJSDXFRSA-N 2 1 211.353 0.715 20 0 BCADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903937505 584826294 /nfs/dbraw/zinc/82/62/94/584826294.db2.gz MGMDZZFOIWASAY-WCBMZHEXSA-N 3 1 235.322 0.947 20 0 BCADMP Cc1cc(C[NH2+]CCC(C)(C)[NH3+])nn1C ZINC000903939453 584826433 /nfs/dbraw/zinc/82/64/33/584826433.db2.gz HTRGEKTXOSLPDO-UHFFFAOYSA-N 2 1 210.325 0.946 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978094 584832907 /nfs/dbraw/zinc/83/29/07/584832907.db2.gz FJFWHCFTDVQIBU-FVCCEPFGSA-N 3 1 223.364 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978844 584832962 /nfs/dbraw/zinc/83/29/62/584832962.db2.gz YSPXDRVVNGFNFA-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978156 584832980 /nfs/dbraw/zinc/83/29/80/584832980.db2.gz HFZPQHVXNBNKQB-OPRDCNLKSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978156 584832981 /nfs/dbraw/zinc/83/29/81/584832981.db2.gz HFZPQHVXNBNKQB-OPRDCNLKSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](N)CC(F)F)C[C@H]1CC[NH3+] ZINC000903978156 584832983 /nfs/dbraw/zinc/83/29/83/584832983.db2.gz HFZPQHVXNBNKQB-OPRDCNLKSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](N)CC(F)F)C[C@H]1CC[NH3+] ZINC000903978156 584832985 /nfs/dbraw/zinc/83/29/85/584832985.db2.gz HFZPQHVXNBNKQB-OPRDCNLKSA-N 2 1 235.322 0.886 20 0 BCADMP CC[N@@H+](CCC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903988175 584836186 /nfs/dbraw/zinc/83/61/86/584836186.db2.gz OPBQAPHAMOOMGU-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299898 584860464 /nfs/dbraw/zinc/86/04/64/584860464.db2.gz QWYALPGGHDZLFD-NNYUYHANSA-N 3 1 211.353 0.783 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000904301478 584861264 /nfs/dbraw/zinc/86/12/64/584861264.db2.gz LKOQKYLXSCDPJD-CIWCUSHGSA-N 3 1 211.353 0.925 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)C2CCCC2)C1 ZINC000904301627 584861548 /nfs/dbraw/zinc/86/15/48/584861548.db2.gz KPDVTGPSBNYCIS-PHIMTYICSA-N 2 1 212.337 0.961 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309205 584862575 /nfs/dbraw/zinc/86/25/75/584862575.db2.gz CSSFGVJXJMBWKS-ZNSHCXBVSA-N 2 1 225.336 0.310 20 0 BCADMP CCOC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904309214 584862911 /nfs/dbraw/zinc/86/29/11/584862911.db2.gz DBTXCARXQCXQSN-AOOOYVTPSA-N 2 1 226.320 0.751 20 0 BCADMP CCOC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904309214 584862913 /nfs/dbraw/zinc/86/29/13/584862913.db2.gz DBTXCARXQCXQSN-AOOOYVTPSA-N 2 1 226.320 0.751 20 0 BCADMP CCOC(=O)C[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312908 584863504 /nfs/dbraw/zinc/86/35/04/584863504.db2.gz PMYVINLGUXQWJS-AOOOYVTPSA-N 2 1 214.309 0.609 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904316794 584864076 /nfs/dbraw/zinc/86/40/76/584864076.db2.gz TVHGJRXLEGSGOA-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP C[N@H+](CC(C)(CO)CO)C[C@]1(C)CCC[NH2+]C1 ZINC000904321777 584864593 /nfs/dbraw/zinc/86/45/93/584864593.db2.gz GFEKGNTUCCVGJI-GFCCVEGCSA-N 2 1 244.379 0.299 20 0 BCADMP C[N@@H+](CC(C)(CO)CO)C[C@]1(C)CCC[NH2+]C1 ZINC000904321777 584864594 /nfs/dbraw/zinc/86/45/94/584864594.db2.gz GFEKGNTUCCVGJI-GFCCVEGCSA-N 2 1 244.379 0.299 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904325243 584865162 /nfs/dbraw/zinc/86/51/62/584865162.db2.gz UFQXGCLVGMTSSM-CYBMUJFWSA-N 2 1 241.379 0.834 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000904328434 584865372 /nfs/dbraw/zinc/86/53/72/584865372.db2.gz OPDJIASKRCDTBN-RNJOBUHISA-N 2 1 240.347 0.604 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325344 584865388 /nfs/dbraw/zinc/86/53/88/584865388.db2.gz XDBLYVLPHOOSIG-RWMBFGLXSA-N 2 1 242.363 0.709 20 0 BCADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326901 584865639 /nfs/dbraw/zinc/86/56/39/584865639.db2.gz SSWFZNGAFMSLAR-JFGNBEQYSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330091 584866041 /nfs/dbraw/zinc/86/60/41/584866041.db2.gz ZIORQYJWJNHBFT-FIQHERPVSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904342680 584866994 /nfs/dbraw/zinc/86/69/94/584866994.db2.gz NGDNTCAFRDOVRG-CHWSQXEVSA-N 2 1 239.363 0.573 20 0 BCADMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1O ZINC000904340864 584867464 /nfs/dbraw/zinc/86/74/64/584867464.db2.gz MIIOTZYGVQKLJV-OUAUKWLOSA-N 2 1 212.337 0.817 20 0 BCADMP CC[C@H](C)[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346611 584868362 /nfs/dbraw/zinc/86/83/62/584868362.db2.gz WHPNQLBLVCUJTG-GARJFASQSA-N 2 1 228.336 0.997 20 0 BCADMP COCCO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904346357 584868589 /nfs/dbraw/zinc/86/85/89/584868589.db2.gz RKSWUQYXRDPGHM-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP Nc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nn1 ZINC000904353244 584869920 /nfs/dbraw/zinc/86/99/20/584869920.db2.gz JTERCMLTJUUEGB-SECBINFHSA-N 2 1 221.308 0.148 20 0 BCADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354467 584870300 /nfs/dbraw/zinc/87/03/00/584870300.db2.gz ZEPIEWZPRLFGNG-CYBMUJFWSA-N 3 1 242.411 0.373 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000904358013 584872292 /nfs/dbraw/zinc/87/22/92/584872292.db2.gz GECRXBFHGLZRDI-CQSZACIVSA-N 3 1 249.358 0.613 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000904368756 584872873 /nfs/dbraw/zinc/87/28/73/584872873.db2.gz NBBQEIVWFFYJAQ-ADEWGFFLSA-N 2 1 238.331 0.404 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000904368756 584872874 /nfs/dbraw/zinc/87/28/74/584872874.db2.gz NBBQEIVWFFYJAQ-ADEWGFFLSA-N 2 1 238.331 0.404 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CCC[NH2+]C1 ZINC000904373510 584873793 /nfs/dbraw/zinc/87/37/93/584873793.db2.gz RTACYMCAEBPMIB-XQQFMLRXSA-N 2 1 242.363 0.051 20 0 BCADMP C[C@@]1(CN2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904373275 584873857 /nfs/dbraw/zinc/87/38/57/584873857.db2.gz NSNMRYLUGLSWCR-GFCCVEGCSA-N 2 1 241.379 0.162 20 0 BCADMP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000904374541 584873860 /nfs/dbraw/zinc/87/38/60/584873860.db2.gz TVGUMRDJJJBHGN-GWCFXTLKSA-N 2 1 247.346 0.620 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000904374541 584873862 /nfs/dbraw/zinc/87/38/62/584873862.db2.gz TVGUMRDJJJBHGN-GWCFXTLKSA-N 2 1 247.346 0.620 20 0 BCADMP CC(C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC(=O)N1 ZINC000904373241 584874018 /nfs/dbraw/zinc/87/40/18/584874018.db2.gz NEBHLHKAXFDFEK-GRYCIOLGSA-N 2 1 239.363 0.713 20 0 BCADMP CCS(=O)(=O)CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904364848 584874629 /nfs/dbraw/zinc/87/46/29/584874629.db2.gz ROWQYYCHAQKQGU-NSHDSACASA-N 2 1 248.392 0.400 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000904388788 584874882 /nfs/dbraw/zinc/87/48/82/584874882.db2.gz BALJVDLUEYSHLS-WCQYABFASA-N 2 1 240.347 0.871 20 0 BCADMP CCOC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000904388915 584875052 /nfs/dbraw/zinc/87/50/52/584875052.db2.gz DMROOCDFPIXMPG-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000904388915 584875053 /nfs/dbraw/zinc/87/50/53/584875053.db2.gz DMROOCDFPIXMPG-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CC[NH3+] ZINC000904388846 584875064 /nfs/dbraw/zinc/87/50/64/584875064.db2.gz PEEXZYLIECJZRW-KKOKHZNYSA-N 3 1 211.353 0.640 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000904377303 584876147 /nfs/dbraw/zinc/87/61/47/584876147.db2.gz MRSUVDRYQQVMAW-UTUOFQBUSA-N 2 1 235.335 0.337 20 0 BCADMP COC[C@]1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380803 584876553 /nfs/dbraw/zinc/87/65/53/584876553.db2.gz GZUOPGLGIODJCV-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904381708 584877546 /nfs/dbraw/zinc/87/75/46/584877546.db2.gz SBRKRJKIIRUYLS-LBPRGKRZSA-N 3 1 229.368 0.283 20 0 BCADMP CN(CCOCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904381708 584877547 /nfs/dbraw/zinc/87/75/47/584877547.db2.gz SBRKRJKIIRUYLS-LBPRGKRZSA-N 2 1 229.368 0.283 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904386321 584877706 /nfs/dbraw/zinc/87/77/06/584877706.db2.gz WKBAQBVTWDQLSH-AEJSXWLSSA-N 2 1 227.308 0.154 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@](N)(CO)C2)CC[NH2+]1 ZINC000904407322 584878874 /nfs/dbraw/zinc/87/88/74/584878874.db2.gz TXKNVNLLHJNSMO-FRRDWIJNSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCC[C@]([NH3+])(CO)C2)CC[NH2+]1 ZINC000904407322 584878875 /nfs/dbraw/zinc/87/88/75/584878875.db2.gz TXKNVNLLHJNSMO-FRRDWIJNSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@](N)(CO)C2)CC[NH2+]1 ZINC000904407321 584879095 /nfs/dbraw/zinc/87/90/95/584879095.db2.gz TXKNVNLLHJNSMO-AGIUHOORSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]1 ZINC000904407321 584879096 /nfs/dbraw/zinc/87/90/96/584879096.db2.gz TXKNVNLLHJNSMO-AGIUHOORSA-N 2 1 241.379 0.160 20 0 BCADMP Nc1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904407352 584879204 /nfs/dbraw/zinc/87/92/04/584879204.db2.gz UJGLELFAFPSEDU-SECBINFHSA-N 2 1 221.308 0.230 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409589 584879296 /nfs/dbraw/zinc/87/92/96/584879296.db2.gz CWTRJHVOHLVTIE-ZJUUUORDSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000904409690 584879326 /nfs/dbraw/zinc/87/93/26/584879326.db2.gz GHLKKASKIGBGAJ-NNYUYHANSA-N 3 1 211.353 0.640 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420365 584882309 /nfs/dbraw/zinc/88/23/09/584882309.db2.gz LYQHZUHRLZTKJT-NNYUYHANSA-N 3 1 209.337 0.265 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876809785 584887254 /nfs/dbraw/zinc/88/72/54/584887254.db2.gz XFNYBLHRFDCZPQ-ZBJFTSOASA-N 2 1 247.289 0.252 20 0 BCADMP [NH3+]CCCCCCC[N@@H+]1CCNC(=O)C1 ZINC000842471559 584897696 /nfs/dbraw/zinc/89/76/96/584897696.db2.gz IZEZFZYKMVRZEZ-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP [NH3+]CCCCCCC[N@H+]1CCNC(=O)C1 ZINC000842471559 584897698 /nfs/dbraw/zinc/89/76/98/584897698.db2.gz IZEZFZYKMVRZEZ-UHFFFAOYSA-N 2 1 213.325 0.327 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748347577 585191020 /nfs/dbraw/zinc/19/10/20/585191020.db2.gz APXMQHWHEAQAAU-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)C1 ZINC000748347577 585191021 /nfs/dbraw/zinc/19/10/21/585191021.db2.gz APXMQHWHEAQAAU-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748347577 585191022 /nfs/dbraw/zinc/19/10/22/585191022.db2.gz APXMQHWHEAQAAU-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748347577 585191023 /nfs/dbraw/zinc/19/10/23/585191023.db2.gz APXMQHWHEAQAAU-NSHDSACASA-N 2 1 227.352 0.489 20 0 BCADMP C[NH+]1CCC([NH2+]CCCNc2ncccn2)CC1 ZINC000751510377 585231333 /nfs/dbraw/zinc/23/13/33/585231333.db2.gz RTHYOUSDWNMQLK-UHFFFAOYSA-N 2 1 249.362 0.962 20 0 BCADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCOC2)CC1 ZINC000756115049 585314644 /nfs/dbraw/zinc/31/46/44/585314644.db2.gz CGPXXQSOUCLQOH-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP FCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000759345909 585370002 /nfs/dbraw/zinc/37/00/02/585370002.db2.gz UMOVYIMGYMOFGV-LLVKDONJSA-N 2 1 216.300 0.610 20 0 BCADMP FCCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000759345909 585370003 /nfs/dbraw/zinc/37/00/03/585370003.db2.gz UMOVYIMGYMOFGV-LLVKDONJSA-N 2 1 216.300 0.610 20 0 BCADMP C[C@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1C ZINC000761076675 585406312 /nfs/dbraw/zinc/40/63/12/585406312.db2.gz JCISZNCXYYWBML-LBPRGKRZSA-N 2 1 211.353 0.718 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000763042915 585442299 /nfs/dbraw/zinc/44/22/99/585442299.db2.gz DQUHSBCHZSRHSV-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP c1nn2ccccc2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770393313 585573817 /nfs/dbraw/zinc/57/38/17/585573817.db2.gz BQPTYBGPNCYYJO-VXGBXAGGSA-N 2 1 242.326 0.986 20 0 BCADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770393236 585573884 /nfs/dbraw/zinc/57/38/84/585573884.db2.gz BQPTYBGPNCYYJO-RYUDHWBXSA-N 2 1 242.326 0.986 20 0 BCADMP C[C@H](CN1CCOCC1)N1CC[N@H+](C)[C@H](C)C1 ZINC000774736583 585664581 /nfs/dbraw/zinc/66/45/81/585664581.db2.gz FYHTZPUICUUYAF-CHWSQXEVSA-N 2 1 241.379 0.343 20 0 BCADMP C[C@H](CN1CCOCC1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000774736583 585664582 /nfs/dbraw/zinc/66/45/82/585664582.db2.gz FYHTZPUICUUYAF-CHWSQXEVSA-N 2 1 241.379 0.343 20 0 BCADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764434 585704994 /nfs/dbraw/zinc/70/49/94/585704994.db2.gz ZNFSMSUHKVNIHJ-NEPJUHHUSA-N 2 1 235.335 0.652 20 0 BCADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cnnc2)C1 ZINC000776764434 585704995 /nfs/dbraw/zinc/70/49/95/585704995.db2.gz ZNFSMSUHKVNIHJ-NEPJUHHUSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2cnnc2)C1 ZINC000776764434 585704996 /nfs/dbraw/zinc/70/49/96/585704996.db2.gz ZNFSMSUHKVNIHJ-NEPJUHHUSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2cnnc2)C1 ZINC000776764434 585704997 /nfs/dbraw/zinc/70/49/97/585704997.db2.gz ZNFSMSUHKVNIHJ-NEPJUHHUSA-N 2 1 235.335 0.652 20 0 BCADMP CC[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778400993 585733608 /nfs/dbraw/zinc/73/36/08/585733608.db2.gz XAGHYDPYGUJMGQ-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000778400993 585733609 /nfs/dbraw/zinc/73/36/09/585733609.db2.gz XAGHYDPYGUJMGQ-QWHCGFSZSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H]1CC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000783234898 585831640 /nfs/dbraw/zinc/83/16/40/585831640.db2.gz BHCJEYYQDCXRBE-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783917358 585845693 /nfs/dbraw/zinc/84/56/93/585845693.db2.gz WAYOKZPQHXDZGM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783917358 585845694 /nfs/dbraw/zinc/84/56/94/585845694.db2.gz WAYOKZPQHXDZGM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783917358 585845695 /nfs/dbraw/zinc/84/56/95/585845695.db2.gz WAYOKZPQHXDZGM-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@H]1C ZINC000783916922 585845860 /nfs/dbraw/zinc/84/58/60/585845860.db2.gz SRBFXNOUTUJYMK-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783916922 585845861 /nfs/dbraw/zinc/84/58/61/585845861.db2.gz SRBFXNOUTUJYMK-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783916922 585845862 /nfs/dbraw/zinc/84/58/62/585845862.db2.gz SRBFXNOUTUJYMK-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+](CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000788478343 585925111 /nfs/dbraw/zinc/92/51/11/585925111.db2.gz HLFABYRKOBEGTQ-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788471010 585925156 /nfs/dbraw/zinc/92/51/56/585925156.db2.gz QORVBMBUOQPKNQ-UHFFFAOYSA-N 2 1 225.380 0.966 20 0 BCADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)C[NH+]1CCCC1 ZINC000791564893 585983957 /nfs/dbraw/zinc/98/39/57/585983957.db2.gz BKXMZEWEHCOXSB-IJLUTSLNSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C)CCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000791931271 585991919 /nfs/dbraw/zinc/99/19/19/585991919.db2.gz NTTRLADYKAJGBW-NSHDSACASA-N 2 1 228.336 0.966 20 0 BCADMP C[NH+](C)CCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000791931271 585991920 /nfs/dbraw/zinc/99/19/20/585991920.db2.gz NTTRLADYKAJGBW-NSHDSACASA-N 2 1 228.336 0.966 20 0 BCADMP C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC000794953053 586057479 /nfs/dbraw/zinc/05/74/79/586057479.db2.gz HSKRMKASHJPYOJ-QWHCGFSZSA-N 2 1 223.364 0.718 20 0 BCADMP CON(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000799122893 586159639 /nfs/dbraw/zinc/15/96/39/586159639.db2.gz HMLXSASDDTVHSM-NSHDSACASA-N 2 1 243.351 0.280 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)C1 ZINC000817890315 586831882 /nfs/dbraw/zinc/83/18/82/586831882.db2.gz RTRNBQWFCPFDKG-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)C1 ZINC000817890315 586831883 /nfs/dbraw/zinc/83/18/83/586831883.db2.gz RTRNBQWFCPFDKG-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP CC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])OCCO1 ZINC000817918239 586831936 /nfs/dbraw/zinc/83/19/36/586831936.db2.gz XHHATTIVGBLZOD-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912823 586838090 /nfs/dbraw/zinc/83/80/90/586838090.db2.gz JMCYMUBCGCFESI-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000817933833 586843629 /nfs/dbraw/zinc/84/36/29/586843629.db2.gz URPLXMSIPHXPLP-JQWIXIFHSA-N 2 1 237.351 0.335 20 0 BCADMP CC[NH2+]CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000818604846 586905804 /nfs/dbraw/zinc/90/58/04/586905804.db2.gz MEPFRLZTYRWOCQ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000821301480 587106022 /nfs/dbraw/zinc/10/60/22/587106022.db2.gz SKWAAMJUGJKXSJ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000821301480 587106023 /nfs/dbraw/zinc/10/60/23/587106023.db2.gz SKWAAMJUGJKXSJ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386727 587115323 /nfs/dbraw/zinc/11/53/23/587115323.db2.gz NBEUFMJUHRYFJA-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386727 587115324 /nfs/dbraw/zinc/11/53/24/587115324.db2.gz NBEUFMJUHRYFJA-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386727 587115326 /nfs/dbraw/zinc/11/53/26/587115326.db2.gz NBEUFMJUHRYFJA-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821386727 587115328 /nfs/dbraw/zinc/11/53/28/587115328.db2.gz NBEUFMJUHRYFJA-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP O=C(C[NH+]1CCCC1)NCC[N@@H+]1CC=CCC1 ZINC000822587859 587176397 /nfs/dbraw/zinc/17/63/97/587176397.db2.gz YXAWZRILMFFZAW-UHFFFAOYSA-N 2 1 237.347 0.460 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000824681657 587282324 /nfs/dbraw/zinc/28/23/24/587282324.db2.gz OQXFROHPPVHCEY-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](C)[NH3+] ZINC000828965934 587476201 /nfs/dbraw/zinc/47/62/01/587476201.db2.gz RHUOMIFGSFESNQ-SECBINFHSA-N 2 1 224.308 0.470 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829475530 587499662 /nfs/dbraw/zinc/49/96/62/587499662.db2.gz YJBRODKMHYPJTH-LBPRGKRZSA-N 2 1 245.342 0.536 20 0 BCADMP C[NH+]1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC000121388737 587530976 /nfs/dbraw/zinc/53/09/76/587530976.db2.gz JEMHVKYZCNLECZ-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000830136072 587538053 /nfs/dbraw/zinc/53/80/53/587538053.db2.gz VELXOEXQUWXXNH-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000830136072 587538054 /nfs/dbraw/zinc/53/80/54/587538054.db2.gz VELXOEXQUWXXNH-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830136072 587538055 /nfs/dbraw/zinc/53/80/55/587538055.db2.gz VELXOEXQUWXXNH-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830136072 587538056 /nfs/dbraw/zinc/53/80/56/587538056.db2.gz VELXOEXQUWXXNH-VXGBXAGGSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)CO ZINC000830690074 587564205 /nfs/dbraw/zinc/56/42/05/587564205.db2.gz HGEHENOAVXWSBR-GFCCVEGCSA-N 2 1 244.379 0.393 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ncc[nH]1 ZINC000831617806 587624133 /nfs/dbraw/zinc/62/41/33/587624133.db2.gz JYHAMFYGZRCYQO-VHSXEESVSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1ncc[nH]1 ZINC000831617806 587624134 /nfs/dbraw/zinc/62/41/34/587624134.db2.gz JYHAMFYGZRCYQO-VHSXEESVSA-N 2 1 236.319 0.503 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971046 587640404 /nfs/dbraw/zinc/64/04/04/587640404.db2.gz QFLUEHJTSUPHJX-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970843 587640711 /nfs/dbraw/zinc/64/07/11/587640711.db2.gz NBMRSLMHUYIKQN-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970686 587640868 /nfs/dbraw/zinc/64/08/68/587640868.db2.gz KKISVQBPBABZIM-JTQLQIEISA-N 2 1 227.352 0.572 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH3+] ZINC000834615066 587760723 /nfs/dbraw/zinc/76/07/23/587760723.db2.gz BTKBBGQSOWIDCU-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP C[C@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842472165 588029015 /nfs/dbraw/zinc/02/90/15/588029015.db2.gz TXWGVRXAONMOIF-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]1C(=O)NCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472165 588029017 /nfs/dbraw/zinc/02/90/17/588029017.db2.gz TXWGVRXAONMOIF-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[NH+](C)Cc1cnc(CN2CC[NH2+]CC2)s1 ZINC000843044908 588076363 /nfs/dbraw/zinc/07/63/63/588076363.db2.gz LFIPMIVQKRVHDB-UHFFFAOYSA-N 2 1 240.376 0.610 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000843080790 588080374 /nfs/dbraw/zinc/08/03/74/588080374.db2.gz KKAYRWQKRNOWNL-NWDGAFQWSA-N 2 1 242.294 0.029 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(CC[NH3+])no1 ZINC000843131710 588085459 /nfs/dbraw/zinc/08/54/59/588085459.db2.gz PUKRMRXORLPWGP-DTORHVGOSA-N 2 1 224.308 0.944 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(CC[NH3+])no1 ZINC000843131710 588085461 /nfs/dbraw/zinc/08/54/61/588085461.db2.gz PUKRMRXORLPWGP-DTORHVGOSA-N 2 1 224.308 0.944 20 0 BCADMP O=C([C@@H]1CCC[N@H+](CCF)C1)N1CC[NH2+]CC1 ZINC000843346904 588101634 /nfs/dbraw/zinc/10/16/34/588101634.db2.gz POSYGADDTDYXDM-LLVKDONJSA-N 2 1 243.326 0.100 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843355665 588103163 /nfs/dbraw/zinc/10/31/63/588103163.db2.gz SCVQADOBHUTOBI-UHFFFAOYSA-N 3 1 240.395 0.093 20 0 BCADMP O=C1OCC[C@@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364483 588104718 /nfs/dbraw/zinc/10/47/18/588104718.db2.gz DZWSBNJYBCDTOD-JTQLQIEISA-N 2 1 224.304 0.377 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000843386744 588105883 /nfs/dbraw/zinc/10/58/83/588105883.db2.gz CHYUNGLZHDUDDG-NEPJUHHUSA-N 2 1 249.362 0.637 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000843470290 588113708 /nfs/dbraw/zinc/11/37/08/588113708.db2.gz RJWUDVXFZYSOQS-KWQFWETISA-N 2 1 237.303 0.158 20 0 BCADMP [NH3+][C@H](CC(=O)N1CC[NH2+]C[C@H]1C(F)F)C1CC1 ZINC000843479728 588114187 /nfs/dbraw/zinc/11/41/87/588114187.db2.gz ALJBKVSXKGCGKT-BDAKNGLRSA-N 2 1 247.289 0.179 20 0 BCADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481582 588114334 /nfs/dbraw/zinc/11/43/34/588114334.db2.gz ZEDXZVSCYFSQPG-BDAKNGLRSA-N 2 1 247.289 0.052 20 0 BCADMP CC[NH2+]CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000843491409 588115289 /nfs/dbraw/zinc/11/52/89/588115289.db2.gz JMXWHGJPEUQCIB-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000844175161 588170937 /nfs/dbraw/zinc/17/09/37/588170937.db2.gz BSERAGHKKXYGRD-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000844175162 588171174 /nfs/dbraw/zinc/17/11/74/588171174.db2.gz BSERAGHKKXYGRD-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)C[NH3+] ZINC000844164658 588171731 /nfs/dbraw/zinc/17/17/31/588171731.db2.gz KYLSQQFGPWKQQE-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP CC[NH2+]CC(=O)NCCn1cc[nH+]c1C(C)C ZINC000844174718 588172032 /nfs/dbraw/zinc/17/20/32/588172032.db2.gz SQENAXWFTAKGPC-UHFFFAOYSA-N 2 1 238.335 0.732 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000844191053 588172761 /nfs/dbraw/zinc/17/27/61/588172761.db2.gz PJJWPMHAWYMIST-ONGXEEELSA-N 2 1 225.336 0.195 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)CCCCCC[NH3+] ZINC000846220798 588261022 /nfs/dbraw/zinc/26/10/22/588261022.db2.gz QMJZCKRKMPJYOW-UHFFFAOYSA-N 2 1 244.383 0.709 20 0 BCADMP [NH3+]CCCCCC[N@@H+]1CCn2ncnc2C1 ZINC000846220157 588261249 /nfs/dbraw/zinc/26/12/49/588261249.db2.gz FBDFVWVLFLNSJY-UHFFFAOYSA-N 2 1 223.324 0.613 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCn2ncnc2C1 ZINC000846220157 588261250 /nfs/dbraw/zinc/26/12/50/588261250.db2.gz FBDFVWVLFLNSJY-UHFFFAOYSA-N 2 1 223.324 0.613 20 0 BCADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CO)C1CC1 ZINC000846855343 588293523 /nfs/dbraw/zinc/29/35/23/588293523.db2.gz VPNONJMUQIDKHB-GFCCVEGCSA-N 2 1 223.320 0.713 20 0 BCADMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000848992785 588427704 /nfs/dbraw/zinc/42/77/04/588427704.db2.gz ULDDBMDUVDGBIO-MNOVXSKESA-N 2 1 240.351 0.183 20 0 BCADMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996626 588429011 /nfs/dbraw/zinc/42/90/11/588429011.db2.gz LEZJRFOYYMOCNK-BDAKNGLRSA-N 2 1 216.329 0.085 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N1CCC1)C(C)C ZINC000849000892 588430859 /nfs/dbraw/zinc/43/08/59/588430859.db2.gz BRQGRETWJLYGIA-UHFFFAOYSA-N 2 1 212.341 0.947 20 0 BCADMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCC2)CCSC1 ZINC000849004034 588431789 /nfs/dbraw/zinc/43/17/89/588431789.db2.gz UYBMCIHQKAFSMY-NSHDSACASA-N 2 1 242.392 0.654 20 0 BCADMP CCCC[N@@H+](C)CCNC(=[NH2+])N(C)C ZINC000849005536 588432700 /nfs/dbraw/zinc/43/27/00/588432700.db2.gz IKMNLTUADOPAPF-UHFFFAOYSA-N 2 1 200.330 0.804 20 0 BCADMP CCCC[N@@H+](C)CCNC1=[NH+]CCCN1C ZINC000849005586 588432805 /nfs/dbraw/zinc/43/28/05/588432805.db2.gz LVLWUFNWHOOQBA-UHFFFAOYSA-N 2 1 226.368 0.999 20 0 BCADMP CC(C)CCNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014620 588436318 /nfs/dbraw/zinc/43/63/18/588436318.db2.gz DWRXBHXGKVWXDK-UHFFFAOYSA-N 2 1 212.341 0.852 20 0 BCADMP C[C@H]1C[NH+]=C(N[C@@H]2CCn3cc[nH+]c3C2)N1 ZINC000849020469 588438499 /nfs/dbraw/zinc/43/84/99/588438499.db2.gz SLBDIRQORWISQH-DTWKUNHWSA-N 2 1 219.292 0.135 20 0 BCADMP [NH2+]=C(NC1CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020415 588438609 /nfs/dbraw/zinc/43/86/09/588438609.db2.gz IOAOPTGDSUFKDH-JTQLQIEISA-N 2 1 233.319 0.864 20 0 BCADMP CNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849023200 588439627 /nfs/dbraw/zinc/43/96/27/588439627.db2.gz XQEKJTOYUJTWMD-JTQLQIEISA-N 2 1 210.325 0.747 20 0 BCADMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000849028215 588441586 /nfs/dbraw/zinc/44/15/86/588441586.db2.gz KXAKBZUHAAPMTF-UHFFFAOYSA-N 2 1 241.383 0.100 20 0 BCADMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000849028215 588441587 /nfs/dbraw/zinc/44/15/87/588441587.db2.gz KXAKBZUHAAPMTF-UHFFFAOYSA-N 2 1 241.383 0.100 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043754 588449167 /nfs/dbraw/zinc/44/91/67/588449167.db2.gz TZSUHOJFISOULF-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP c1cn2c([nH+]1)C[C@H](NC1=[NH+]CCCCN1)CC2 ZINC000849217144 588462538 /nfs/dbraw/zinc/46/25/38/588462538.db2.gz FSTSMROBYDWCAG-SNVBAGLBSA-N 2 1 233.319 0.527 20 0 BCADMP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000851732382 588619369 /nfs/dbraw/zinc/61/93/69/588619369.db2.gz PEGWDHRXZHNBGE-GMXVVIOVSA-N 2 1 233.315 0.266 20 0 BCADMP CC1(C)OC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732875 588619899 /nfs/dbraw/zinc/61/98/99/588619899.db2.gz ZHAJNHFCADTLPM-AXFHLTTASA-N 2 1 226.320 0.289 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000852121365 588664986 /nfs/dbraw/zinc/66/49/86/588664986.db2.gz PDVKUUWWHHDXDM-NSHDSACASA-N 2 1 245.273 0.893 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000852121365 588664987 /nfs/dbraw/zinc/66/49/87/588664987.db2.gz PDVKUUWWHHDXDM-NSHDSACASA-N 2 1 245.273 0.893 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562046 588690940 /nfs/dbraw/zinc/69/09/40/588690940.db2.gz ZQLPLMZCLFTMOY-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562046 588690941 /nfs/dbraw/zinc/69/09/41/588690941.db2.gz ZQLPLMZCLFTMOY-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743788 588698753 /nfs/dbraw/zinc/69/87/53/588698753.db2.gz KETUPGYWFIWPCB-VXGBXAGGSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]C[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743788 588698754 /nfs/dbraw/zinc/69/87/54/588698754.db2.gz KETUPGYWFIWPCB-VXGBXAGGSA-N 2 1 239.363 0.178 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743786 588699167 /nfs/dbraw/zinc/69/91/67/588699167.db2.gz KETUPGYWFIWPCB-NWDGAFQWSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]C[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743786 588699168 /nfs/dbraw/zinc/69/91/68/588699168.db2.gz KETUPGYWFIWPCB-NWDGAFQWSA-N 2 1 239.363 0.178 20 0 BCADMP CC12CC(C1)C[N@@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000852785435 588702330 /nfs/dbraw/zinc/70/23/30/588702330.db2.gz KIZQUUVOCYCZGQ-CPCZMJQVSA-N 2 1 224.348 0.927 20 0 BCADMP CC12CC(C1)C[N@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000852785435 588702331 /nfs/dbraw/zinc/70/23/31/588702331.db2.gz KIZQUUVOCYCZGQ-CPCZMJQVSA-N 2 1 224.348 0.927 20 0 BCADMP CN(Cc1cnc[nH]1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852837121 588707210 /nfs/dbraw/zinc/70/72/10/588707210.db2.gz QDMVSFSYCAKSOF-SNVBAGLBSA-N 2 1 222.292 0.496 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000852879166 588710776 /nfs/dbraw/zinc/71/07/76/588710776.db2.gz RHTCWZQQDKXYGL-QUBYGPBYSA-N 2 1 243.257 0.428 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000861565083 589168480 /nfs/dbraw/zinc/16/84/80/589168480.db2.gz FJWUICPETYPSJE-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H]1CC[C@@H]([NH2+]C2CCN(C=O)CC2)C[NH2+]1 ZINC000863548522 589298385 /nfs/dbraw/zinc/29/83/85/589298385.db2.gz YVFGYDBGNHEPGV-CMPLNLGQSA-N 2 1 225.336 0.337 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOC(F)F ZINC000863556777 589299108 /nfs/dbraw/zinc/29/91/08/589299108.db2.gz HGXYVTNKHDLUOD-UHFFFAOYSA-N 2 1 212.240 0.133 20 0 BCADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000864462282 589369602 /nfs/dbraw/zinc/36/96/02/589369602.db2.gz LBMPQLMIDSSURE-ONGXEEELSA-N 2 1 222.336 0.771 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)C1CCC([NH3+])CC1 ZINC000866660945 589508427 /nfs/dbraw/zinc/50/84/27/589508427.db2.gz JEKZKAJKJATCAA-MCIGGMRASA-N 2 1 249.362 0.967 20 0 BCADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CCC(F)(F)C1 ZINC000866661070 589508904 /nfs/dbraw/zinc/50/89/04/589508904.db2.gz OBMGXDOEAZLAOI-SECBINFHSA-N 2 1 222.279 0.675 20 0 BCADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC(F)(F)C1 ZINC000866661070 589508905 /nfs/dbraw/zinc/50/89/05/589508905.db2.gz OBMGXDOEAZLAOI-SECBINFHSA-N 2 1 222.279 0.675 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nnnn1C ZINC000866661799 589508543 /nfs/dbraw/zinc/50/85/43/589508543.db2.gz UYSSDSCMZUWNMU-SNVBAGLBSA-N 2 1 240.355 0.058 20 0 BCADMP C[C@@H]1C[N@@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000866673104 589511083 /nfs/dbraw/zinc/51/10/83/589511083.db2.gz WLRGNJRHMVQVPM-HTQZYQBOSA-N 2 1 208.252 0.752 20 0 BCADMP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000866685428 589511789 /nfs/dbraw/zinc/51/17/89/589511789.db2.gz LOWJNCNOZBQRKG-JTQLQIEISA-N 2 1 228.340 0.119 20 0 BCADMP CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866703655 589513971 /nfs/dbraw/zinc/51/39/71/589513971.db2.gz NNHFCYQDWODYMG-MNOVXSKESA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709395 589514054 /nfs/dbraw/zinc/51/40/54/589514054.db2.gz XEBJTYGBDYMSCV-SKDRFNHKSA-N 2 1 227.352 0.557 20 0 BCADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCOCC[NH3+])C1 ZINC000866706238 589514808 /nfs/dbraw/zinc/51/48/08/589514808.db2.gz GPDGIDPKLUZHRV-ZDUSSCGKSA-N 3 1 243.395 0.659 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720359 589515115 /nfs/dbraw/zinc/51/51/15/589515115.db2.gz JTSAHPIZOZTHPB-STQMWFEESA-N 3 1 223.364 0.812 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720359 589515116 /nfs/dbraw/zinc/51/51/16/589515116.db2.gz JTSAHPIZOZTHPB-STQMWFEESA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000866723966 589515703 /nfs/dbraw/zinc/51/57/03/589515703.db2.gz KLTKMMORSBSOTD-AGIUHOORSA-N 3 1 223.364 0.812 20 0 BCADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000866723966 589515705 /nfs/dbraw/zinc/51/57/05/589515705.db2.gz KLTKMMORSBSOTD-AGIUHOORSA-N 3 1 223.364 0.812 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000870866236 589691958 /nfs/dbraw/zinc/69/19/58/589691958.db2.gz OVLWCLIQVQONAC-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970875 589703179 /nfs/dbraw/zinc/70/31/79/589703179.db2.gz NHWKMQDSTVZLJS-DCAQKATOSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@H]21 ZINC000870980764 589704827 /nfs/dbraw/zinc/70/48/27/589704827.db2.gz BPBOLITWLAFOQZ-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870982963 589705378 /nfs/dbraw/zinc/70/53/78/589705378.db2.gz QZOSNTHVKKVORR-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)CCOC ZINC000871604269 589774456 /nfs/dbraw/zinc/77/44/56/589774456.db2.gz ZOYMFXXORCIBIR-LLVKDONJSA-N 2 1 244.383 0.819 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@@H+]1C ZINC000872140989 589878633 /nfs/dbraw/zinc/87/86/33/589878633.db2.gz HEHSZGVQWXEMCX-IRCOFANPSA-N 2 1 228.336 0.209 20 0 BCADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC[N@H+]1C ZINC000872140989 589878636 /nfs/dbraw/zinc/87/86/36/589878636.db2.gz HEHSZGVQWXEMCX-IRCOFANPSA-N 2 1 228.336 0.209 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CNCCO1 ZINC000872156167 589886317 /nfs/dbraw/zinc/88/63/17/589886317.db2.gz FPLDHPKENAVWTH-GFCCVEGCSA-N 2 1 229.368 0.426 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872199885 589890581 /nfs/dbraw/zinc/89/05/81/589890581.db2.gz SJJOVDPFMSLJAB-LLVKDONJSA-N 2 1 241.335 0.303 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288228 589906278 /nfs/dbraw/zinc/90/62/78/589906278.db2.gz WDPNFJMOSJMEFK-BDAKNGLRSA-N 2 1 249.305 0.604 20 0 BCADMP C[C@@H](C[NH3+])Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000872774224 589967671 /nfs/dbraw/zinc/96/76/71/589967671.db2.gz FZNOWICUTVZYSW-VIFPVBQESA-N 2 1 237.307 0.072 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873200762 589992646 /nfs/dbraw/zinc/99/26/46/589992646.db2.gz FRNBWYQPJTXIAV-UWVGGRQHSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873200762 589992647 /nfs/dbraw/zinc/99/26/47/589992647.db2.gz FRNBWYQPJTXIAV-UWVGGRQHSA-N 2 1 235.335 0.618 20 0 BCADMP C1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C[NH2+]1 ZINC000873215558 589997939 /nfs/dbraw/zinc/99/79/39/589997939.db2.gz CQEDJGIERUBJER-KTWSDMTRSA-N 2 1 208.305 0.361 20 0 BCADMP C[N@H+]1CC[C@H]2CN(Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999719 /nfs/dbraw/zinc/99/97/19/589999719.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 1 247.346 0.585 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221017 589999858 /nfs/dbraw/zinc/99/98/58/589999858.db2.gz XEWXGMHXMPNWDI-GMXVVIOVSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236416 590004708 /nfs/dbraw/zinc/00/47/08/590004708.db2.gz XLNFKCKCWNLFBE-JQWIXIFHSA-N 2 1 241.379 0.029 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000873254810 590010469 /nfs/dbraw/zinc/01/04/69/590010469.db2.gz BEDGFMGGTHTRSE-BJDJZHNGSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000873254810 590010471 /nfs/dbraw/zinc/01/04/71/590010471.db2.gz BEDGFMGGTHTRSE-BJDJZHNGSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C1C[NH2+]C1 ZINC000873276468 590017862 /nfs/dbraw/zinc/01/78/62/590017862.db2.gz UKKHJOJUCFFUOW-BDAKNGLRSA-N 2 1 208.309 0.679 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874389646 590107848 /nfs/dbraw/zinc/10/78/48/590107848.db2.gz OATAZHQPOFFBEN-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874446485 590110975 /nfs/dbraw/zinc/11/09/75/590110975.db2.gz MXYZGLSMDVUDHS-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP O=C(CCC1C[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852542 590249490 /nfs/dbraw/zinc/24/94/90/590249490.db2.gz DWOFZQVCDVCGAR-VIFPVBQESA-N 2 1 247.289 0.052 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000876882859 590253108 /nfs/dbraw/zinc/25/31/08/590253108.db2.gz UHSGUFHSVUFEKH-BDAKNGLRSA-N 2 1 222.292 0.399 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925104 590257704 /nfs/dbraw/zinc/25/77/04/590257704.db2.gz UIPCLYDWBTXIPN-ZDUSSCGKSA-N 2 1 248.330 0.546 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH3+] ZINC000876938089 590258849 /nfs/dbraw/zinc/25/88/49/590258849.db2.gz PHTAOKGWIGZOOF-UHFFFAOYSA-N 2 1 238.335 0.827 20 0 BCADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)C1CC1 ZINC000876949633 590259693 /nfs/dbraw/zinc/25/96/93/590259693.db2.gz TYRKLLXDGJRMRK-RYUDHWBXSA-N 2 1 239.363 0.585 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103480 590283670 /nfs/dbraw/zinc/28/36/70/590283670.db2.gz VJUGXGBXXGYCHQ-SECBINFHSA-N 2 1 201.314 0.134 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877102506 590283673 /nfs/dbraw/zinc/28/36/73/590283673.db2.gz JDSBDKKDOLGIBG-VIFPVBQESA-N 2 1 201.314 0.132 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000877102675 590283813 /nfs/dbraw/zinc/28/38/13/590283813.db2.gz LAORDQKEHWPHND-GARJFASQSA-N 2 1 227.352 0.665 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877241310 590302317 /nfs/dbraw/zinc/30/23/17/590302317.db2.gz NCRLQXRAPDSMAT-GARJFASQSA-N 2 1 225.336 0.182 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000877251692 590303419 /nfs/dbraw/zinc/30/34/19/590303419.db2.gz UFMINKZRPOSFJB-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877249104 590303533 /nfs/dbraw/zinc/30/35/33/590303533.db2.gz HSRHTRMECMLYCI-UPJWGTAASA-N 2 1 249.358 0.587 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@H]21 ZINC000877250157 590303652 /nfs/dbraw/zinc/30/36/52/590303652.db2.gz OEDDGRKZUGLKIN-NJMOYASZSA-N 2 1 249.358 0.289 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877251054 590303802 /nfs/dbraw/zinc/30/38/02/590303802.db2.gz WYHGDNXUTMPESO-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CC[NH2+]CC1 ZINC000877252896 590304376 /nfs/dbraw/zinc/30/43/76/590304376.db2.gz ASCOPGHEJXYXQQ-SCZZXKLOSA-N 2 1 243.376 0.153 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393443 590321929 /nfs/dbraw/zinc/32/19/29/590321929.db2.gz XUWBQPXYZCMKCV-AAEUAGOBSA-N 2 1 239.363 0.727 20 0 BCADMP COCC[N@H+](CC(C)=O)CC1CC[NH+](C)CC1 ZINC000879125668 590699299 /nfs/dbraw/zinc/69/92/99/590699299.db2.gz FVJLBNFQQJEJEG-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570777 590808616 /nfs/dbraw/zinc/80/86/16/590808616.db2.gz IQOCVQNASADJHC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570777 590808618 /nfs/dbraw/zinc/80/86/18/590808618.db2.gz IQOCVQNASADJHC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570777 590808622 /nfs/dbraw/zinc/80/86/22/590808622.db2.gz IQOCVQNASADJHC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570777 590808626 /nfs/dbraw/zinc/80/86/26/590808626.db2.gz IQOCVQNASADJHC-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000879573490 590810750 /nfs/dbraw/zinc/81/07/50/590810750.db2.gz OWFCEDQIIGAETB-NWDGAFQWSA-N 2 1 228.336 0.021 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000879573490 590810752 /nfs/dbraw/zinc/81/07/52/590810752.db2.gz OWFCEDQIIGAETB-NWDGAFQWSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000879573490 590810756 /nfs/dbraw/zinc/81/07/56/590810756.db2.gz OWFCEDQIIGAETB-NWDGAFQWSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000879573490 590810758 /nfs/dbraw/zinc/81/07/58/590810758.db2.gz OWFCEDQIIGAETB-NWDGAFQWSA-N 2 1 228.336 0.021 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000879572448 590811472 /nfs/dbraw/zinc/81/14/72/590811472.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000879572448 590811475 /nfs/dbraw/zinc/81/14/75/590811475.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000879572448 590811478 /nfs/dbraw/zinc/81/14/78/590811478.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CNC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578614 590816514 /nfs/dbraw/zinc/81/65/14/590816514.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578614 590816518 /nfs/dbraw/zinc/81/65/18/590816518.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578614 590816522 /nfs/dbraw/zinc/81/65/22/590816522.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP COC(C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879579663 590817177 /nfs/dbraw/zinc/81/71/77/590817177.db2.gz ARDCYQUECBFKDA-WDEREUQCSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879579663 590817173 /nfs/dbraw/zinc/81/71/73/590817173.db2.gz ARDCYQUECBFKDA-WDEREUQCSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879579663 590817179 /nfs/dbraw/zinc/81/71/79/590817179.db2.gz ARDCYQUECBFKDA-WDEREUQCSA-N 2 1 228.336 0.631 20 0 BCADMP COC(C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879579663 590817181 /nfs/dbraw/zinc/81/71/81/590817181.db2.gz ARDCYQUECBFKDA-WDEREUQCSA-N 2 1 228.336 0.631 20 0 BCADMP CNC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578615 590819185 /nfs/dbraw/zinc/81/91/85/590819185.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578615 590819187 /nfs/dbraw/zinc/81/91/87/590819187.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578615 590819190 /nfs/dbraw/zinc/81/91/90/590819190.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581338 590821992 /nfs/dbraw/zinc/82/19/92/590821992.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879581338 590821997 /nfs/dbraw/zinc/82/19/97/590821997.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879581338 590821999 /nfs/dbraw/zinc/82/19/99/590821999.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 2 1 242.363 0.674 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582065 590822054 /nfs/dbraw/zinc/82/20/54/590822054.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582065 590822057 /nfs/dbraw/zinc/82/20/57/590822057.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582065 590822059 /nfs/dbraw/zinc/82/20/59/590822059.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C[C@H]1CO ZINC000880489958 591067247 /nfs/dbraw/zinc/06/72/47/591067247.db2.gz ZQLIYAVGDULTNY-NEPJUHHUSA-N 2 1 210.321 0.703 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C[C@H]1CO ZINC000880489958 591067252 /nfs/dbraw/zinc/06/72/52/591067252.db2.gz ZQLIYAVGDULTNY-NEPJUHHUSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C[C@H]1CO ZINC000880489958 591067258 /nfs/dbraw/zinc/06/72/58/591067258.db2.gz ZQLIYAVGDULTNY-NEPJUHHUSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C[C@H]1CO ZINC000880489958 591067261 /nfs/dbraw/zinc/06/72/61/591067261.db2.gz ZQLIYAVGDULTNY-NEPJUHHUSA-N 2 1 210.321 0.703 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000882491907 591371513 /nfs/dbraw/zinc/37/15/13/591371513.db2.gz LKZNDILUZMLJJC-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000882496142 591377172 /nfs/dbraw/zinc/37/71/72/591377172.db2.gz PEBNNXYYJBTJBJ-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129768391 591402021 /nfs/dbraw/zinc/40/20/21/591402021.db2.gz WFPJUVHCMJNPHN-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP Cn1cncc1CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000883416240 591652229 /nfs/dbraw/zinc/65/22/29/591652229.db2.gz PQONNBGJCQIQRH-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@@H]21 ZINC000883438805 591667089 /nfs/dbraw/zinc/66/70/89/591667089.db2.gz CQDNSCUFRZWECS-VOAKCMCISA-N 2 1 241.354 0.712 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441094 591668611 /nfs/dbraw/zinc/66/86/11/591668611.db2.gz HDMHIETTZDRYLX-RVMXOQNASA-N 2 1 241.354 0.855 20 0 BCADMP CCCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883442649 591669532 /nfs/dbraw/zinc/66/95/32/591669532.db2.gz PPTKDBAYTFSVAO-VHSXEESVSA-N 2 1 248.392 0.527 20 0 BCADMP C[NH2+]CCC[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000883448705 591670553 /nfs/dbraw/zinc/67/05/53/591670553.db2.gz OBTHEHDRAYACSB-TXEJJXNPSA-N 2 1 225.336 0.006 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883461934 591673488 /nfs/dbraw/zinc/67/34/88/591673488.db2.gz GJVXVPZMNNXDOT-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883461934 591673491 /nfs/dbraw/zinc/67/34/91/591673491.db2.gz GJVXVPZMNNXDOT-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961394 592115439 /nfs/dbraw/zinc/11/54/39/592115439.db2.gz XBFJAIXCPDUXNU-YVECIDJPSA-N 2 1 222.332 0.564 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251378 592186404 /nfs/dbraw/zinc/18/64/04/592186404.db2.gz BKHXVXANWCMNKY-YFKTTZPYSA-N 2 1 242.363 0.333 20 0 BCADMP C(C[NH+]1C[C@@H]2C[C@@H]2C1)OCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344595 592213037 /nfs/dbraw/zinc/21/30/37/592213037.db2.gz HZIPANJYHISHPC-KPWCQOOUSA-N 2 1 236.359 0.906 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CCOC ZINC000220014324 592273023 /nfs/dbraw/zinc/27/30/23/592273023.db2.gz ISUJIPAJTDJGDS-NSHDSACASA-N 2 1 245.367 0.198 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220366062 592309337 /nfs/dbraw/zinc/30/93/37/592309337.db2.gz BWVILGDTDLKLMI-GHMZBOCLSA-N 2 1 228.336 0.727 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827090 592351538 /nfs/dbraw/zinc/35/15/38/592351538.db2.gz DHEIRAQVDPDUJX-IJLUTSLNSA-N 2 1 210.321 0.707 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827090 592351544 /nfs/dbraw/zinc/35/15/44/592351544.db2.gz DHEIRAQVDPDUJX-IJLUTSLNSA-N 2 1 210.321 0.707 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886841380 592363045 /nfs/dbraw/zinc/36/30/45/592363045.db2.gz JNKWDWIGOHQTJC-OLZOCXBDSA-N 2 1 242.363 0.581 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886860113 592372273 /nfs/dbraw/zinc/37/22/73/592372273.db2.gz RTTLMQNGHHJOBX-NEPJUHHUSA-N 2 1 228.336 0.463 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887352707 592486552 /nfs/dbraw/zinc/48/65/52/592486552.db2.gz LGKGTRMFOJVBMG-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360691 592508788 /nfs/dbraw/zinc/50/87/88/592508788.db2.gz YVSJVXKBBOTJBT-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300417510 592511898 /nfs/dbraw/zinc/51/18/98/592511898.db2.gz ATGYZQAOLIZDAZ-PWSUYJOCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300417509 592511909 /nfs/dbraw/zinc/51/19/09/592511909.db2.gz ATGYZQAOLIZDAZ-JQWIXIFHSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000887923135 592559158 /nfs/dbraw/zinc/55/91/58/592559158.db2.gz ORTGDVJLPUDZOU-GMXVVIOVSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000887923136 592559207 /nfs/dbraw/zinc/55/92/07/592559207.db2.gz ORTGDVJLPUDZOU-NTZNESFSSA-N 2 1 239.363 0.347 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925703416 634380258 /nfs/dbraw/zinc/38/02/58/634380258.db2.gz UMRYDJPANUXSCQ-AEJSXWLSSA-N 2 1 223.320 0.125 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703042 634380363 /nfs/dbraw/zinc/38/03/63/634380363.db2.gz SDHNZVGUKXKRAB-WDEREUQCSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925710641 634408260 /nfs/dbraw/zinc/40/82/60/634408260.db2.gz QIRYZHXNSYZHCR-OUAUKWLOSA-N 2 1 211.353 0.973 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000335448390 634470970 /nfs/dbraw/zinc/47/09/70/634470970.db2.gz PHGRNRZCXNBWCF-CYBMUJFWSA-N 3 1 223.364 0.814 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335448390 634470974 /nfs/dbraw/zinc/47/09/74/634470974.db2.gz PHGRNRZCXNBWCF-CYBMUJFWSA-N 2 1 223.364 0.814 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740634 634488235 /nfs/dbraw/zinc/48/82/35/634488235.db2.gz YUWMSCPESTURFD-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740634 634488242 /nfs/dbraw/zinc/48/82/42/634488242.db2.gz YUWMSCPESTURFD-OLZOCXBDSA-N 3 1 223.364 0.671 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925761978 635161916 /nfs/dbraw/zinc/16/19/16/635161916.db2.gz FHNMBXOHDFHQLQ-MXWKQRLJSA-N 2 1 246.376 0.423 20 0 BCADMP N[C@H]1C[C@H]([NH2+]CC2CC([NH3+])C2)C12CCC2 ZINC000925727639 634525594 /nfs/dbraw/zinc/52/55/94/634525594.db2.gz AUGGSVRQKIQHNQ-TVUZUIDESA-N 2 1 209.337 0.583 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]CC2CC([NH3+])C2)C12CCC2 ZINC000925727637 634525942 /nfs/dbraw/zinc/52/59/42/634525942.db2.gz AUGGSVRQKIQHNQ-JPPWEJMLSA-N 2 1 209.337 0.583 20 0 BCADMP C[N@H+]1CC[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098134 634565229 /nfs/dbraw/zinc/56/52/29/634565229.db2.gz RXEWJOVHDZXXNO-UWVGGRQHSA-N 2 1 236.319 0.956 20 0 BCADMP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000925771076 635203985 /nfs/dbraw/zinc/20/39/85/635203985.db2.gz MJDHNKDWQOIAQI-ZYUZMQFOSA-N 2 1 232.349 0.031 20 0 BCADMP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000925771072 635204450 /nfs/dbraw/zinc/20/44/50/635204450.db2.gz MJDHNKDWQOIAQI-XKNYDFJKSA-N 2 1 232.349 0.031 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000925792802 635325253 /nfs/dbraw/zinc/32/52/53/635325253.db2.gz WGTSYXUZYGCZGY-NOOOWODRSA-N 2 1 211.353 0.382 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000925792802 635325260 /nfs/dbraw/zinc/32/52/60/635325260.db2.gz WGTSYXUZYGCZGY-NOOOWODRSA-N 2 1 211.353 0.382 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228530620 635462880 /nfs/dbraw/zinc/46/28/80/635462880.db2.gz WGMDBGRMXGWKEA-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000230212662 635481568 /nfs/dbraw/zinc/48/15/68/635481568.db2.gz MQMSOLASKWXKOJ-NSHDSACASA-N 2 1 228.336 0.822 20 0 BCADMP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000233262725 635528352 /nfs/dbraw/zinc/52/83/52/635528352.db2.gz NYHBSZSGGWWRQX-LLVKDONJSA-N 2 1 248.392 0.482 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@H]1CCC[NH2+]1 ZINC000925890700 635617108 /nfs/dbraw/zinc/61/71/08/635617108.db2.gz QPJFPSCMONPOJP-GARJFASQSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925876096 635600501 /nfs/dbraw/zinc/60/05/01/635600501.db2.gz XGTVINFNRHRBNJ-SRVKXCTJSA-N 2 1 228.336 0.522 20 0 BCADMP COC[C@@H]1COCCN1CCn1cc[nH+]c1C ZINC000933330919 631263391 /nfs/dbraw/zinc/26/33/91/631263391.db2.gz KGMXRIGRSDJXCO-GFCCVEGCSA-N 2 1 239.319 0.539 20 0 BCADMP C[NH2+]Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000258131107 631362470 /nfs/dbraw/zinc/36/24/70/631362470.db2.gz UURXFALEIQATPE-UHFFFAOYSA-N 2 1 210.281 0.331 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1CO ZINC000891458847 631369249 /nfs/dbraw/zinc/36/92/49/631369249.db2.gz GBMDTTVZWAETBG-GFCCVEGCSA-N 2 1 235.331 0.892 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCCCO ZINC000308578648 631433835 /nfs/dbraw/zinc/43/38/35/631433835.db2.gz FPBWHXYRSLERAG-QWRGUYRKSA-N 2 1 200.326 0.961 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000308574667 631434826 /nfs/dbraw/zinc/43/48/26/631434826.db2.gz DAHKIYFOZSRIOJ-NXEZZACHSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@H+](CCSC(F)(F)F)C[C@H](O)C[NH3+] ZINC000308664016 631475479 /nfs/dbraw/zinc/47/54/79/631475479.db2.gz RKTOYKLYRWFVPE-ZCFIWIBFSA-N 2 1 232.271 0.491 20 0 BCADMP C[N@@H+](CCSC(F)(F)F)C[C@H](O)C[NH3+] ZINC000308664016 631475482 /nfs/dbraw/zinc/47/54/82/631475482.db2.gz RKTOYKLYRWFVPE-ZCFIWIBFSA-N 2 1 232.271 0.491 20 0 BCADMP COCCOCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732386 631494645 /nfs/dbraw/zinc/49/46/45/631494645.db2.gz PRWJEAZZKOLCJE-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732386 631494653 /nfs/dbraw/zinc/49/46/53/631494653.db2.gz PRWJEAZZKOLCJE-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COCCOCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732386 631494660 /nfs/dbraw/zinc/49/46/60/631494660.db2.gz PRWJEAZZKOLCJE-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP COCCOCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732386 631494668 /nfs/dbraw/zinc/49/46/68/631494668.db2.gz PRWJEAZZKOLCJE-QWHCGFSZSA-N 2 1 242.363 0.533 20 0 BCADMP Cn1nccc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734352 631495834 /nfs/dbraw/zinc/49/58/34/631495834.db2.gz ONJVRNSXSDUTCR-OCCSQVGLSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734352 631495839 /nfs/dbraw/zinc/49/58/39/631495839.db2.gz ONJVRNSXSDUTCR-OCCSQVGLSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734352 631495846 /nfs/dbraw/zinc/49/58/46/631495846.db2.gz ONJVRNSXSDUTCR-OCCSQVGLSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1nccc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734352 631495852 /nfs/dbraw/zinc/49/58/52/631495852.db2.gz ONJVRNSXSDUTCR-OCCSQVGLSA-N 2 1 248.374 0.846 20 0 BCADMP COC(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000161105582 631660522 /nfs/dbraw/zinc/66/05/22/631660522.db2.gz ZMTTUXMKBBARKU-SNVBAGLBSA-N 2 1 216.325 0.489 20 0 BCADMP COC(C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000161105582 631660530 /nfs/dbraw/zinc/66/05/30/631660530.db2.gz ZMTTUXMKBBARKU-SNVBAGLBSA-N 2 1 216.325 0.489 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000308823531 631676467 /nfs/dbraw/zinc/67/64/67/631676467.db2.gz CUYUUTPMRLDVOK-VIFPVBQESA-N 2 1 214.309 0.622 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000309215904 631968851 /nfs/dbraw/zinc/96/88/51/631968851.db2.gz FOBSWSNLPDNXNQ-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000309317970 631990620 /nfs/dbraw/zinc/99/06/20/631990620.db2.gz OJECFUZGHNWKOV-LBPRGKRZSA-N 2 1 244.404 0.738 20 0 BCADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919197 632012267 /nfs/dbraw/zinc/01/22/67/632012267.db2.gz MHGWBHNUEMSONU-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919354 632012735 /nfs/dbraw/zinc/01/27/35/632012735.db2.gz FWEJMTNQFMLRTG-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224861 632015720 /nfs/dbraw/zinc/01/57/20/632015720.db2.gz KNYFZUFYSURANB-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224861 632015726 /nfs/dbraw/zinc/01/57/26/632015726.db2.gz KNYFZUFYSURANB-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000052041548 632051241 /nfs/dbraw/zinc/05/12/41/632051241.db2.gz JYWWCRZPLPZDHR-UHFFFAOYSA-N 2 1 228.340 0.233 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250486879 635697659 /nfs/dbraw/zinc/69/76/59/635697659.db2.gz HIAPYOKMGMUHPW-TUAOUCFPSA-N 2 1 230.352 0.586 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250486879 635697665 /nfs/dbraw/zinc/69/76/65/635697665.db2.gz HIAPYOKMGMUHPW-TUAOUCFPSA-N 2 1 230.352 0.586 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022977055 632092937 /nfs/dbraw/zinc/09/29/37/632092937.db2.gz STANTNKPTYXGFE-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H](C)[NH+](C)C ZINC000252957246 632565919 /nfs/dbraw/zinc/56/59/19/632565919.db2.gz KFXDQKCVANXEOB-WOPDTQHZSA-N 2 1 229.368 0.293 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000235264339 632591625 /nfs/dbraw/zinc/59/16/25/632591625.db2.gz WWVIQUZSLVOZOZ-KXNHARMFSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000235264339 632591635 /nfs/dbraw/zinc/59/16/35/632591635.db2.gz WWVIQUZSLVOZOZ-KXNHARMFSA-N 2 1 210.321 0.705 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)CN1CCCC1 ZINC000309056129 632629652 /nfs/dbraw/zinc/62/96/52/632629652.db2.gz IJSPFLRPVOVBTB-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP CCCN(CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056129 632629656 /nfs/dbraw/zinc/62/96/56/632629656.db2.gz IJSPFLRPVOVBTB-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP CCC[N@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056129 632629659 /nfs/dbraw/zinc/62/96/59/632629659.db2.gz IJSPFLRPVOVBTB-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP CCC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056129 632629662 /nfs/dbraw/zinc/62/96/62/632629662.db2.gz IJSPFLRPVOVBTB-GFCCVEGCSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CC1CCCC1 ZINC000309736465 632662369 /nfs/dbraw/zinc/66/23/69/632662369.db2.gz GPWPGOGILGOUQK-RYUDHWBXSA-N 2 1 230.352 0.179 20 0 BCADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CC1)[N@@H+](C)C1CC1 ZINC000310190353 632707148 /nfs/dbraw/zinc/70/71/48/632707148.db2.gz XSKJDSJIUARBSK-JOYOIKCWSA-N 2 1 239.363 0.713 20 0 BCADMP O[C@H](C[NH2+]C[C@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552626 632755345 /nfs/dbraw/zinc/75/53/45/632755345.db2.gz VANFEJNNSSRBGM-OLZOCXBDSA-N 2 1 242.363 0.194 20 0 BCADMP Cn1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310554227 632755401 /nfs/dbraw/zinc/75/54/01/632755401.db2.gz HKJRLERQLJIFLW-PHIMTYICSA-N 2 1 235.335 0.247 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)CCF ZINC000926655337 632777734 /nfs/dbraw/zinc/77/77/34/632777734.db2.gz MDKLOYHBASBLSP-PSIUFMSWSA-N 2 1 230.327 0.637 20 0 BCADMP CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000052019464 632779270 /nfs/dbraw/zinc/77/92/70/632779270.db2.gz MPKDQDMIKPMFGC-JTQLQIEISA-N 2 1 212.341 0.995 20 0 BCADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310776522 632985343 /nfs/dbraw/zinc/98/53/43/632985343.db2.gz AQUMTPPIBJMVPI-ZDUSSCGKSA-N 2 1 247.346 0.899 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@H+](C)C1 ZINC000166111948 633106996 /nfs/dbraw/zinc/10/69/96/633106996.db2.gz BZDGCWKDRHNOEM-IJLUTSLNSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](C)C1 ZINC000166111948 633107001 /nfs/dbraw/zinc/10/70/01/633107001.db2.gz BZDGCWKDRHNOEM-IJLUTSLNSA-N 2 1 227.352 0.047 20 0 BCADMP CCNC(=O)C[N@@H+](CC)CCCCCC[NH3+] ZINC000309468046 633110362 /nfs/dbraw/zinc/11/03/62/633110362.db2.gz SYAFEDOUGCGLFF-UHFFFAOYSA-N 2 1 229.368 0.964 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000928429996 635912941 /nfs/dbraw/zinc/91/29/41/635912941.db2.gz FAWKZRDLHGACPA-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000928429996 635912947 /nfs/dbraw/zinc/91/29/47/635912947.db2.gz FAWKZRDLHGACPA-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000928429996 635912952 /nfs/dbraw/zinc/91/29/52/635912952.db2.gz FAWKZRDLHGACPA-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C)C1CC1 ZINC000928432220 635917014 /nfs/dbraw/zinc/91/70/14/635917014.db2.gz CNWHDPLHVZUMJC-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C1CC1 ZINC000928432220 635917016 /nfs/dbraw/zinc/91/70/16/635917016.db2.gz CNWHDPLHVZUMJC-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)C1CC1 ZINC000928432220 635917019 /nfs/dbraw/zinc/91/70/19/635917019.db2.gz CNWHDPLHVZUMJC-CMPLNLGQSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313414 633214563 /nfs/dbraw/zinc/21/45/63/633214563.db2.gz YBXYSARATSPUSO-NWDGAFQWSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928440028 635937284 /nfs/dbraw/zinc/93/72/84/635937284.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928440028 635937288 /nfs/dbraw/zinc/93/72/88/635937288.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928440028 635937294 /nfs/dbraw/zinc/93/72/94/635937294.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2COCO2)CC1(C)C ZINC000894891063 635999614 /nfs/dbraw/zinc/99/96/14/635999614.db2.gz XWBBJIXOWATRQS-GHMZBOCLSA-N 2 1 228.336 0.822 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000928559765 636102057 /nfs/dbraw/zinc/10/20/57/636102057.db2.gz NQJRACWMDNDMRA-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+](C)C ZINC000928559765 636102063 /nfs/dbraw/zinc/10/20/63/636102063.db2.gz NQJRACWMDNDMRA-VHSXEESVSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C)C1CCC1 ZINC000928555101 636092372 /nfs/dbraw/zinc/09/23/72/636092372.db2.gz SITZWDLOKWMOBI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C)C1CCC1 ZINC000928555101 636092374 /nfs/dbraw/zinc/09/23/74/636092374.db2.gz SITZWDLOKWMOBI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C)C1CCC1 ZINC000928555101 636092378 /nfs/dbraw/zinc/09/23/78/636092378.db2.gz SITZWDLOKWMOBI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C)C1CCC1 ZINC000928555101 636092382 /nfs/dbraw/zinc/09/23/82/636092382.db2.gz SITZWDLOKWMOBI-NSHDSACASA-N 2 1 225.336 0.291 20 0 BCADMP C[N@@H+](CCC1SCCS1)C[C@H](O)C[NH3+] ZINC000853023263 633795212 /nfs/dbraw/zinc/79/52/12/633795212.db2.gz RAGITOXBWNYKBX-MRVPVSSYSA-N 2 1 236.406 0.434 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCC1=O ZINC000925509199 633847811 /nfs/dbraw/zinc/84/78/11/633847811.db2.gz MEGZLNORFOWZJE-NXEZZACHSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1O ZINC000310035220 634064334 /nfs/dbraw/zinc/06/43/34/634064334.db2.gz OJDIMDHSVAMBGI-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1O ZINC000310035220 634064337 /nfs/dbraw/zinc/06/43/37/634064337.db2.gz OJDIMDHSVAMBGI-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000925601084 634125187 /nfs/dbraw/zinc/12/51/87/634125187.db2.gz JJEISOHIRIWPGB-SECBINFHSA-N 2 1 225.336 0.372 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCSCCCO ZINC000925607510 634139860 /nfs/dbraw/zinc/13/98/60/634139860.db2.gz CFPXEUAICPAMEG-JTQLQIEISA-N 2 1 232.393 0.832 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925608744 634143684 /nfs/dbraw/zinc/14/36/84/634143684.db2.gz IYMJXSIZMSMMGH-ONGXEEELSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925608743 634143771 /nfs/dbraw/zinc/14/37/71/634143771.db2.gz IYMJXSIZMSMMGH-MWLCHTKSSA-N 2 1 200.326 0.878 20 0 BCADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925613440 634152012 /nfs/dbraw/zinc/15/20/12/634152012.db2.gz RBIXMVCCFWZBBQ-QWHCGFSZSA-N 2 1 241.379 0.296 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614507 634154418 /nfs/dbraw/zinc/15/44/18/634154418.db2.gz YZZCIISBADPQRC-NEPJUHHUSA-N 2 1 242.363 0.648 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614609 634154493 /nfs/dbraw/zinc/15/44/93/634154493.db2.gz YZZCIISBADPQRC-RYUDHWBXSA-N 2 1 242.363 0.648 20 0 BCADMP Cc1cnn(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925617968 634171821 /nfs/dbraw/zinc/17/18/21/634171821.db2.gz YKOCLJYVVVWZKL-NSHDSACASA-N 2 1 222.336 0.922 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1N[C@H]1CCn2cc[nH+]c2C1 ZINC000925644354 634199182 /nfs/dbraw/zinc/19/91/82/634199182.db2.gz MAHUMSXBOGQCDQ-WDEREUQCSA-N 2 1 234.347 0.928 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000925644354 634199186 /nfs/dbraw/zinc/19/91/86/634199186.db2.gz MAHUMSXBOGQCDQ-WDEREUQCSA-N 2 1 234.347 0.928 20 0 BCADMP C1[NH2+][C@@H]2[C@H]([NH2+][C@H]3CCCOC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925667175 634242346 /nfs/dbraw/zinc/24/23/46/634242346.db2.gz AGRGWTDOZABGIC-RJRAAQABSA-N 2 1 222.332 0.751 20 0 BCADMP C[N@@H+](CCCC[NH2+][C@@H]1CNCCOC1)C1CC1 ZINC000925684023 634291607 /nfs/dbraw/zinc/29/16/07/634291607.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@H+](CCCCN[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684023 634291610 /nfs/dbraw/zinc/29/16/10/634291610.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[N@@H+](CCCCN[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684023 634291619 /nfs/dbraw/zinc/29/16/19/634291619.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275817 634298536 /nfs/dbraw/zinc/29/85/36/634298536.db2.gz ACFTWZMTMYKKET-JZRPKSSGSA-N 2 1 224.348 0.903 20 0 BCADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931275817 634298540 /nfs/dbraw/zinc/29/85/40/634298540.db2.gz ACFTWZMTMYKKET-JZRPKSSGSA-N 2 1 224.348 0.903 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925687278 634301430 /nfs/dbraw/zinc/30/14/30/634301430.db2.gz HVUKZWCXZSHYRV-BDAKNGLRSA-N 2 1 213.325 0.241 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925690942 634315744 /nfs/dbraw/zinc/31/57/44/634315744.db2.gz IENNUTNNGKKLEM-UTUOFQBUSA-N 2 1 223.364 0.846 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925690937 634316263 /nfs/dbraw/zinc/31/62/63/634316263.db2.gz IENNUTNNGKKLEM-QJPTWQEYSA-N 2 1 223.364 0.846 20 0 BCADMP C(C[C@H]1CC[NH2+]C1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925695198 634340553 /nfs/dbraw/zinc/34/05/53/634340553.db2.gz UHERTANBWWVNED-BBMNEWJDSA-N 2 1 235.375 0.572 20 0 BCADMP C[C@@H](C[NH3+])C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696973 634356872 /nfs/dbraw/zinc/35/68/72/634356872.db2.gz CJQRZBXWKBEWPM-USZNOCQGSA-N 3 1 225.380 0.947 20 0 BCADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000925699348 634366918 /nfs/dbraw/zinc/36/69/18/634366918.db2.gz OHFZXIBLYHUVRW-WDEREUQCSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000925796997 635334001 /nfs/dbraw/zinc/33/40/01/635334001.db2.gz SQOCUMWWAYAILN-UMSGYPCISA-N 3 1 225.380 0.820 20 0 BCADMP COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861864 635348715 /nfs/dbraw/zinc/34/87/15/635348715.db2.gz SRLLZVZWKYRTJG-OUAUKWLOSA-N 2 1 226.320 0.751 20 0 BCADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861795 635348963 /nfs/dbraw/zinc/34/89/63/635348963.db2.gz SRLLZVZWKYRTJG-VWYCJHECSA-N 2 1 226.320 0.751 20 0 BCADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814648 635379157 /nfs/dbraw/zinc/37/91/57/635379157.db2.gz NTNKOUUQTFERON-MXWKQRLJSA-N 2 1 221.304 0.822 20 0 BCADMP C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1c[nH+]ccc1N ZINC000925824466 635415561 /nfs/dbraw/zinc/41/55/61/635415561.db2.gz UAXJDCQDHFTFGM-XNWIYYODSA-N 2 1 248.330 0.799 20 0 BCADMP CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CCC[N@H+]1C ZINC000220937510 635762660 /nfs/dbraw/zinc/76/26/60/635762660.db2.gz CXVOPWOBIXVRHM-NEPJUHHUSA-N 2 1 211.353 0.764 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CC1 ZINC000925203525 636380381 /nfs/dbraw/zinc/38/03/81/636380381.db2.gz MFCCWJXKPVUSNA-FOSCPWQOSA-N 2 1 224.348 0.689 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000237415055 636764495 /nfs/dbraw/zinc/76/44/95/636764495.db2.gz AJSGNJFKFMNOQR-JTQLQIEISA-N 2 1 238.335 0.777 20 0 BCADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897845445 636837400 /nfs/dbraw/zinc/83/74/00/636837400.db2.gz QJQISWSHBAUOTO-QJPTWQEYSA-N 2 1 239.363 0.632 20 0 BCADMP COCC(COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322424625 636863757 /nfs/dbraw/zinc/86/37/57/636863757.db2.gz MUBMFNIFIZGPLO-VGPLMAKISA-N 2 1 242.363 0.863 20 0 BCADMP COCC(COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322424625 636863759 /nfs/dbraw/zinc/86/37/59/636863759.db2.gz MUBMFNIFIZGPLO-VGPLMAKISA-N 2 1 242.363 0.863 20 0 BCADMP CCO[C@H](C[NH2+][C@H](COC)C1CC1)C[NH+](C)C ZINC000926961183 636972407 /nfs/dbraw/zinc/97/24/07/636972407.db2.gz IFRYEURYYCRWOI-CHWSQXEVSA-N 2 1 244.379 0.968 20 0 BCADMP CC[C@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000924654097 636976604 /nfs/dbraw/zinc/97/66/04/636976604.db2.gz OZMNWPAOMLGCOL-QWHCGFSZSA-N 2 1 244.379 0.969 20 0 BCADMP C[NH+](C)[C@@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000041299458 636983449 /nfs/dbraw/zinc/98/34/49/636983449.db2.gz VZHJIMWYEMJVOK-CYBMUJFWSA-N 2 1 247.342 0.721 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903461827 637362983 /nfs/dbraw/zinc/36/29/83/637362983.db2.gz YSOVQOZCXKXDDN-FVCCEPFGSA-N 3 1 241.379 0.409 20 0 BCADMP COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463412 637363817 /nfs/dbraw/zinc/36/38/17/637363817.db2.gz AIIZPQZIBMGGMC-JJOYANBFSA-N 2 1 238.331 0.751 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000903463658 637364995 /nfs/dbraw/zinc/36/49/95/637364995.db2.gz IHRQFWXCDYLRRQ-VOAKCMCISA-N 2 1 224.348 0.810 20 0 BCADMP Cn1nccc1[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566035 637371187 /nfs/dbraw/zinc/37/11/87/637371187.db2.gz HQKKPGANQQKEGB-GFCCVEGCSA-N 2 1 238.335 0.532 20 0 BCADMP OCC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722803 637379699 /nfs/dbraw/zinc/37/96/99/637379699.db2.gz DNOMIDBNHDILNZ-CHWSQXEVSA-N 2 1 240.347 0.212 20 0 BCADMP C[C@@]1(C[NH2+]Cc2cncc(O)c2)CC[NH2+]C1 ZINC000904433998 637399603 /nfs/dbraw/zinc/39/96/03/637399603.db2.gz SBDKRYWWIFMVAY-GFCCVEGCSA-N 2 1 221.304 0.876 20 0 BCADMP COC[C@@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000904464403 637408901 /nfs/dbraw/zinc/40/89/01/637408901.db2.gz YZHOIGHQLZXRJE-UWVGGRQHSA-N 2 1 200.326 0.857 20 0 BCADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000904468973 637422239 /nfs/dbraw/zinc/42/22/39/637422239.db2.gz HGODJWOPQJQVQF-DVRWULTCSA-N 2 1 249.358 0.326 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904470454 637423541 /nfs/dbraw/zinc/42/35/41/637423541.db2.gz XHZHNTMCGNOFQC-AOOOYVTPSA-N 2 1 213.325 0.182 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000904929087 637531731 /nfs/dbraw/zinc/53/17/31/637531731.db2.gz PIOLRPJZXDPYTQ-GZMMTYOYSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132579 637644729 /nfs/dbraw/zinc/64/47/29/637644729.db2.gz BKGXLTLZPFUMND-GRYCIOLGSA-N 2 1 242.363 0.335 20 0 BCADMP CC[C@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905323657 637751991 /nfs/dbraw/zinc/75/19/91/637751991.db2.gz HELOCCCJSYTLSK-JGVFFNPUSA-N 2 1 222.292 0.873 20 0 BCADMP [NH3+]C1(c2noc([C@H]3CC34CC[NH2+]CC4)n2)CC1 ZINC000905325702 637752949 /nfs/dbraw/zinc/75/29/49/637752949.db2.gz WARCLTXAUGEEAP-MRVPVSSYSA-N 2 1 234.303 0.875 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905355626 637775316 /nfs/dbraw/zinc/77/53/16/637775316.db2.gz ZBAZRQUPVOWGRI-CHWSQXEVSA-N 2 1 238.331 0.198 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905332513 637781425 /nfs/dbraw/zinc/78/14/25/637781425.db2.gz WRQJDGDRQDXHRS-RNFRBKRXSA-N 2 1 222.292 0.858 20 0 BCADMP CCO[C@H](C[NH2+]CC1(O)CCCC1)C[NH+](C)C ZINC000905578605 637853176 /nfs/dbraw/zinc/85/31/76/637853176.db2.gz FGSIURHOWSHEAR-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP [NH3+]Cc1nc(COc2ccc3c(c2)C[NH2+]C3)no1 ZINC000905613421 637866390 /nfs/dbraw/zinc/86/63/90/637866390.db2.gz CHGZQNSUKOVKLH-UHFFFAOYSA-N 2 1 246.270 0.711 20 0 BCADMP CN(C)CC(N)=NOCC[C@@H]1CCCC[N@H+]1C ZINC000906507434 638179292 /nfs/dbraw/zinc/17/92/92/638179292.db2.gz CFJFWHQLDHUVTC-NSHDSACASA-N 2 1 242.367 0.921 20 0 BCADMP C[NH+](C)CC(N)=NOCC[C@@H]1CCCC[N@@H+]1C ZINC000906507434 638179297 /nfs/dbraw/zinc/17/92/97/638179297.db2.gz CFJFWHQLDHUVTC-NSHDSACASA-N 2 1 242.367 0.921 20 0 BCADMP C[NH+](C)CC(N)=NOCC[C@@H]1CCCC[N@H+]1C ZINC000906507434 638179303 /nfs/dbraw/zinc/17/93/03/638179303.db2.gz CFJFWHQLDHUVTC-NSHDSACASA-N 2 1 242.367 0.921 20 0 BCADMP C[NH+](C)Cc1cnc(CNC2CC([NH3+])C2)s1 ZINC000906510443 638183754 /nfs/dbraw/zinc/18/37/54/638183754.db2.gz IRZPRWMLPHXMPV-UHFFFAOYSA-N 2 1 240.376 0.784 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CCO[NH+]=C(N)CCO ZINC000906503528 638197224 /nfs/dbraw/zinc/19/72/24/638197224.db2.gz QIKSGBQMABHXLF-SNVBAGLBSA-N 2 1 229.324 0.742 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCO[NH+]=C(N)CCO ZINC000906503528 638197228 /nfs/dbraw/zinc/19/72/28/638197228.db2.gz QIKSGBQMABHXLF-SNVBAGLBSA-N 2 1 229.324 0.742 20 0 BCADMP CC(C)([NH3+])C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000906639825 638226557 /nfs/dbraw/zinc/22/65/57/638226557.db2.gz MGJBLSWEBUPHTC-UHFFFAOYSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC000908262484 638627462 /nfs/dbraw/zinc/62/74/62/638627462.db2.gz XSGZMALQSVZTQB-JTQLQIEISA-N 2 1 238.335 0.797 20 0 BCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC000911302338 639616203 /nfs/dbraw/zinc/61/62/03/639616203.db2.gz KSXPRVJVMNMUGA-CMPLNLGQSA-N 2 1 248.330 0.505 20 0 BCADMP [NH3+]Cc1ncc(C(=O)N[C@H]2CCC[NH2+]C2)s1 ZINC000911672827 639707283 /nfs/dbraw/zinc/70/72/83/639707283.db2.gz ODQRYZFTICVXMG-ZETCQYMHSA-N 2 1 240.332 0.084 20 0 BCADMP C[C@@H]([NH3+])c1nc(C(=O)NCC[C@H](C)[NH3+])cs1 ZINC000911740022 639767456 /nfs/dbraw/zinc/76/74/56/639767456.db2.gz GNIBAGKPHIZMNF-NKWVEPMBSA-N 2 1 242.348 0.630 20 0 BCADMP Cc1sc(C[NH3+])nc1C(=O)NCC[C@H](C)[NH3+] ZINC000911745564 639770937 /nfs/dbraw/zinc/77/09/37/639770937.db2.gz QNMYSAAFNVPTMR-LURJTMIESA-N 2 1 242.348 0.377 20 0 BCADMP C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000911748419 639773367 /nfs/dbraw/zinc/77/33/67/639773367.db2.gz MSECJGIQCXQKII-JTQLQIEISA-N 2 1 236.319 0.090 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750984 639777528 /nfs/dbraw/zinc/77/75/28/639777528.db2.gz HJUDXEBLCVRYIG-VXGBXAGGSA-N 2 1 239.363 0.727 20 0 BCADMP Cc1sc(C[NH3+])nc1C(=O)NC(C)(C)C[NH3+] ZINC000911764896 639791574 /nfs/dbraw/zinc/79/15/74/639791574.db2.gz PBBMSSHTKJRNEQ-UHFFFAOYSA-N 2 1 242.348 0.377 20 0 BCADMP [NH3+][C@@H](C(=O)NCC[NH+]1CCCC1)c1ccccc1 ZINC000035663361 639811203 /nfs/dbraw/zinc/81/12/03/639811203.db2.gz JEYODPKCMPMTOM-CYBMUJFWSA-N 2 1 247.342 0.898 20 0 BCADMP CC[C@H](CO)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930560008 639811279 /nfs/dbraw/zinc/81/12/79/639811279.db2.gz XWWUXUOSXGOKEV-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](CO)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930560008 639811280 /nfs/dbraw/zinc/81/12/80/639811280.db2.gz XWWUXUOSXGOKEV-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP CC[C@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930560008 639811282 /nfs/dbraw/zinc/81/12/82/639811282.db2.gz XWWUXUOSXGOKEV-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP Cc1cc(NC(=O)NC[C@@H]2CCN2C)c(C)cn1 ZINC000930628077 639831147 /nfs/dbraw/zinc/83/11/47/639831147.db2.gz XGJWEZGXFNZJDR-NSHDSACASA-N 2 1 248.330 0.946 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813173 639836453 /nfs/dbraw/zinc/83/64/53/639836453.db2.gz WJQOQEGAFHMCRX-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000911826182 639837823 /nfs/dbraw/zinc/83/78/23/639837823.db2.gz LTMWSCVYIFPMDI-MWLCHTKSSA-N 2 1 238.335 0.688 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911853270 639860400 /nfs/dbraw/zinc/86/04/00/639860400.db2.gz YYKKXPKFNNLFRI-NEPJUHHUSA-N 2 1 239.363 0.809 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000931278377 640130603 /nfs/dbraw/zinc/13/06/03/640130603.db2.gz ASKUUYMKPIJQJN-WYUUTHIRSA-N 2 1 210.321 0.515 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000931278377 640130610 /nfs/dbraw/zinc/13/06/10/640130610.db2.gz ASKUUYMKPIJQJN-WYUUTHIRSA-N 2 1 210.321 0.515 20 0 BCADMP CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279884 640133424 /nfs/dbraw/zinc/13/34/24/640133424.db2.gz RXEMQLLMJANGKF-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP CCOCCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279884 640133433 /nfs/dbraw/zinc/13/34/33/640133433.db2.gz RXEMQLLMJANGKF-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279884 640133440 /nfs/dbraw/zinc/13/34/40/640133440.db2.gz RXEMQLLMJANGKF-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279884 640133446 /nfs/dbraw/zinc/13/34/46/640133446.db2.gz RXEMQLLMJANGKF-GDNZZTSVSA-N 2 1 212.337 0.905 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000931280093 640135008 /nfs/dbraw/zinc/13/50/08/640135008.db2.gz CAKKENYETXTJSO-NDBYEHHHSA-N 2 1 224.348 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000931280093 640135015 /nfs/dbraw/zinc/13/50/15/640135015.db2.gz CAKKENYETXTJSO-NDBYEHHHSA-N 2 1 224.348 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000931280093 640135022 /nfs/dbraw/zinc/13/50/22/640135022.db2.gz CAKKENYETXTJSO-NDBYEHHHSA-N 2 1 224.348 0.905 20 0 BCADMP CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000931280094 640135774 /nfs/dbraw/zinc/13/57/74/640135774.db2.gz CAKKENYETXTJSO-WUHRBBMRSA-N 2 1 224.348 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000931280094 640135781 /nfs/dbraw/zinc/13/57/81/640135781.db2.gz CAKKENYETXTJSO-WUHRBBMRSA-N 2 1 224.348 0.905 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000931280094 640135791 /nfs/dbraw/zinc/13/57/91/640135791.db2.gz CAKKENYETXTJSO-WUHRBBMRSA-N 2 1 224.348 0.905 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931313293 640152944 /nfs/dbraw/zinc/15/29/44/640152944.db2.gz AHGMQSXKCQNCLS-UMSGYPCISA-N 2 1 242.363 0.002 20 0 BCADMP CNC(=O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353042 640166887 /nfs/dbraw/zinc/16/68/87/640166887.db2.gz ZLWCPUVBXJPVHM-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CCNC(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431548 640199227 /nfs/dbraw/zinc/19/92/27/640199227.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431548 640199232 /nfs/dbraw/zinc/19/92/32/640199232.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431548 640199235 /nfs/dbraw/zinc/19/92/35/640199235.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431548 640199241 /nfs/dbraw/zinc/19/92/41/640199241.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431548 640199244 /nfs/dbraw/zinc/19/92/44/640199244.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 1 225.336 0.006 20 0 BCADMP CCNC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433336 640201072 /nfs/dbraw/zinc/20/10/72/640201072.db2.gz YJLKTBBYLOZTEE-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCNC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433336 640201077 /nfs/dbraw/zinc/20/10/77/640201077.db2.gz YJLKTBBYLOZTEE-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CCNC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433336 640201081 /nfs/dbraw/zinc/20/10/81/640201081.db2.gz YJLKTBBYLOZTEE-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@@H+]1CC[C@@H]2CN(CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207415 /nfs/dbraw/zinc/20/74/15/640207415.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 1 230.377 0.248 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207418 /nfs/dbraw/zinc/20/74/18/640207418.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 1 230.377 0.248 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912906511 640233123 /nfs/dbraw/zinc/23/31/23/640233123.db2.gz FXGAVKCGHZUERH-RYUDHWBXSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902719 640246859 /nfs/dbraw/zinc/24/68/59/640246859.db2.gz IQRFBESBJUGXIM-NWDGAFQWSA-N 2 1 237.347 0.387 20 0 BCADMP CCS(=O)(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044514502 640399722 /nfs/dbraw/zinc/39/97/22/640399722.db2.gz QOAWXZIOTJUKRZ-UHFFFAOYSA-N 2 1 234.365 0.092 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223930977 640593840 /nfs/dbraw/zinc/59/38/40/640593840.db2.gz UJERVDQGPHLVFF-KXNHARMFSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223930977 640593849 /nfs/dbraw/zinc/59/38/49/640593849.db2.gz UJERVDQGPHLVFF-KXNHARMFSA-N 2 1 212.337 0.951 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344961 640749775 /nfs/dbraw/zinc/74/97/75/640749775.db2.gz XQLUPKBPDXGXOD-VWYCJHECSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344961 640749781 /nfs/dbraw/zinc/74/97/81/640749781.db2.gz XQLUPKBPDXGXOD-VWYCJHECSA-N 2 1 216.325 0.053 20 0 BCADMP COCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737470 640756591 /nfs/dbraw/zinc/75/65/91/640756591.db2.gz QAEJWENKFFZFPH-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP COCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737470 640756597 /nfs/dbraw/zinc/75/65/97/640756597.db2.gz QAEJWENKFFZFPH-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP COCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737470 640756601 /nfs/dbraw/zinc/75/66/01/640756601.db2.gz QAEJWENKFFZFPH-NWDGAFQWSA-N 2 1 212.337 0.906 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226396715 640760479 /nfs/dbraw/zinc/76/04/79/640760479.db2.gz NDNTZFZRDNKVFY-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC000158110084 640806843 /nfs/dbraw/zinc/80/68/43/640806843.db2.gz GQXVTZVLTGISIL-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767450 640848137 /nfs/dbraw/zinc/84/81/37/640848137.db2.gz TWKUMJQEBWHTBZ-RYUDHWBXSA-N 2 1 230.352 0.566 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228530627 640878531 /nfs/dbraw/zinc/87/85/31/640878531.db2.gz WGMDBGRMXGWKEA-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532129 640879009 /nfs/dbraw/zinc/87/90/09/640879009.db2.gz KDIJGZARARVOFE-GXSJLCMTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258741 640940363 /nfs/dbraw/zinc/94/03/63/640940363.db2.gz KYDKPLFQBHZYEK-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000230063696 641010780 /nfs/dbraw/zinc/01/07/80/641010780.db2.gz ULBFWKMTOYRZEM-LBPRGKRZSA-N 2 1 239.363 0.714 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000087766638 641021060 /nfs/dbraw/zinc/02/10/60/641021060.db2.gz WWAFGNRJXFRSIE-JTQLQIEISA-N 2 1 208.309 0.243 20 0 BCADMP COCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862460 641099656 /nfs/dbraw/zinc/09/96/56/641099656.db2.gz QHMBFNITBKIFCT-LLVKDONJSA-N 2 1 200.326 0.954 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339871 641186783 /nfs/dbraw/zinc/18/67/83/641186783.db2.gz GFYUGOIOJQFNEO-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP C[NH+](C)CCOCC[NH2+]Cc1c[nH]cn1 ZINC000231675725 641192466 /nfs/dbraw/zinc/19/24/66/641192466.db2.gz AREWTJHMQDGNAR-UHFFFAOYSA-N 2 1 212.297 0.078 20 0 BCADMP CCOC(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC ZINC000088009397 641236899 /nfs/dbraw/zinc/23/68/99/641236899.db2.gz ZSRRUQYZNORHON-QWRGUYRKSA-N 2 1 228.336 0.537 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913635703 641437589 /nfs/dbraw/zinc/43/75/89/641437589.db2.gz MVBSAQZPVKWNSQ-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP C[N@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040864947 641537108 /nfs/dbraw/zinc/53/71/08/641537108.db2.gz COWBYDWKUBHDGI-UHFFFAOYSA-N 2 1 221.304 0.716 20 0 BCADMP Cn1cnc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000313252782 641543903 /nfs/dbraw/zinc/54/39/03/641543903.db2.gz OCTQOCXJPMHSKD-SZZQBSIJSA-N 2 1 246.358 0.549 20 0 BCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833661 641614419 /nfs/dbraw/zinc/61/44/19/641614419.db2.gz BHBUPWOXQVLCFX-WDEREUQCSA-N 2 1 237.347 0.420 20 0 BCADMP CCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031384758 642049010 /nfs/dbraw/zinc/04/90/10/642049010.db2.gz LBHJGWNKVOVKHS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031384758 642049014 /nfs/dbraw/zinc/04/90/14/642049014.db2.gz LBHJGWNKVOVKHS-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930001221 642140585 /nfs/dbraw/zinc/14/05/85/642140585.db2.gz SCIZLDVEADZFJO-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930001221 642140594 /nfs/dbraw/zinc/14/05/94/642140594.db2.gz SCIZLDVEADZFJO-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930001221 642140604 /nfs/dbraw/zinc/14/06/04/642140604.db2.gz SCIZLDVEADZFJO-UTUOFQBUSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)[C@H](C)C1 ZINC000930001293 642141346 /nfs/dbraw/zinc/14/13/46/642141346.db2.gz TWYLNFHRMNJHSV-NDBYEHHHSA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)O)[C@H](C)C1 ZINC000930001293 642141350 /nfs/dbraw/zinc/14/13/50/642141350.db2.gz TWYLNFHRMNJHSV-NDBYEHHHSA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)O)[C@H](C)C1 ZINC000930001293 642141354 /nfs/dbraw/zinc/14/13/54/642141354.db2.gz TWYLNFHRMNJHSV-NDBYEHHHSA-N 2 1 244.379 0.390 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)[C@H](C)C1 ZINC000930001295 642142455 /nfs/dbraw/zinc/14/24/55/642142455.db2.gz TWYLNFHRMNJHSV-VOAKCMCISA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)O)[C@H](C)C1 ZINC000930001295 642142456 /nfs/dbraw/zinc/14/24/56/642142456.db2.gz TWYLNFHRMNJHSV-VOAKCMCISA-N 2 1 244.379 0.390 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)O)[C@H](C)C1 ZINC000930001295 642142457 /nfs/dbraw/zinc/14/24/57/642142457.db2.gz TWYLNFHRMNJHSV-VOAKCMCISA-N 2 1 244.379 0.390 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000925474600 642408714 /nfs/dbraw/zinc/40/87/14/642408714.db2.gz CWMZJDMYECJJIO-GHMZBOCLSA-N 2 1 241.335 0.559 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000925474603 642412482 /nfs/dbraw/zinc/41/24/82/642412482.db2.gz CWMZJDMYECJJIO-WDEREUQCSA-N 2 1 241.335 0.559 20 0 BCADMP C[N@H+](CCc1cccnc1)CCN1CC[NH2+]CC1 ZINC000071150883 642452599 /nfs/dbraw/zinc/45/25/99/642452599.db2.gz DHCSCJDLGFLGSL-UHFFFAOYSA-N 2 1 248.374 0.461 20 0 BCADMP C[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000051020752 642494217 /nfs/dbraw/zinc/49/42/17/642494217.db2.gz SHXQIIJNLREOGA-UHFFFAOYSA-N 2 1 200.326 0.833 20 0 BCADMP CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000961642829 642699374 /nfs/dbraw/zinc/69/93/74/642699374.db2.gz XDVQBQZXKSODKB-HTAVTVPLSA-N 2 1 239.363 0.585 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068949972 642815236 /nfs/dbraw/zinc/81/52/36/642815236.db2.gz SAEDQINCRXTDAA-GRYCIOLGSA-N 2 1 230.352 0.443 20 0 BCADMP CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772424 642834950 /nfs/dbraw/zinc/83/49/50/642834950.db2.gz UEJXCGUYMVCRQR-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000181285459 642858986 /nfs/dbraw/zinc/85/89/86/642858986.db2.gz YEGYIVVPYQHFGQ-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP O=C(CN1CCCC1)N[C@@H]1CCN(CCF)C1 ZINC001016250468 642951227 /nfs/dbraw/zinc/95/12/27/642951227.db2.gz CPIREDNJRMEXMZ-LLVKDONJSA-N 2 1 243.326 0.242 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCF)C2)C1 ZINC001016254858 642951580 /nfs/dbraw/zinc/95/15/80/642951580.db2.gz LJDRUJWMNOUMLO-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001016254858 642951583 /nfs/dbraw/zinc/95/15/83/642951583.db2.gz LJDRUJWMNOUMLO-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001016254858 642951586 /nfs/dbraw/zinc/95/15/86/642951586.db2.gz LJDRUJWMNOUMLO-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCF)C2)C1 ZINC001016254858 642951591 /nfs/dbraw/zinc/95/15/91/642951591.db2.gz LJDRUJWMNOUMLO-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001016254858 642951593 /nfs/dbraw/zinc/95/15/93/642951593.db2.gz LJDRUJWMNOUMLO-MNOVXSKESA-N 2 1 243.326 0.098 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018630992 643002607 /nfs/dbraw/zinc/00/26/07/643002607.db2.gz CJVBALHJRRXTKT-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018630991 643003136 /nfs/dbraw/zinc/00/31/36/643003136.db2.gz CJVBALHJRRXTKT-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018616253 643003376 /nfs/dbraw/zinc/00/33/76/643003376.db2.gz LQHCUTXHFITOPB-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018867474 643014048 /nfs/dbraw/zinc/01/40/48/643014048.db2.gz PRIOBRCFYPLGBE-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304542801 643125380 /nfs/dbraw/zinc/12/53/80/643125380.db2.gz KZLVCWSFXTXSHW-MNOVXSKESA-N 2 1 224.352 0.654 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969947151 643254156 /nfs/dbraw/zinc/25/41/56/643254156.db2.gz BEOWUEORTDUQNI-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186592 643282757 /nfs/dbraw/zinc/28/27/57/643282757.db2.gz SMSVDORRQSLYLE-LBPRGKRZSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069054621 643440394 /nfs/dbraw/zinc/44/03/94/643440394.db2.gz KGMDMWMPEZVAGN-AVGNSLFASA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000733868858 643475477 /nfs/dbraw/zinc/47/54/77/643475477.db2.gz CTIIUWRBHJATQY-RYUDHWBXSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000082560620 643511641 /nfs/dbraw/zinc/51/16/41/643511641.db2.gz SATFSFFNLVYOQL-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@H]([NH3+])c1nc(C(=O)NCCC[NH3+])cs1 ZINC000085548800 643618238 /nfs/dbraw/zinc/61/82/38/643618238.db2.gz SGYVTAJWTIUUJV-LURJTMIESA-N 2 1 228.321 0.241 20 0 BCADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000050247463 643662827 /nfs/dbraw/zinc/66/28/27/643662827.db2.gz BVUGVAWUKMYOCU-GFCCVEGCSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000050247463 643662832 /nfs/dbraw/zinc/66/28/32/643662832.db2.gz BVUGVAWUKMYOCU-GFCCVEGCSA-N 2 1 241.379 0.912 20 0 BCADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000085973156 643870636 /nfs/dbraw/zinc/87/06/36/643870636.db2.gz PIVMULYHPFKVKT-SNVBAGLBSA-N 2 1 221.304 0.876 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000922160552 643880310 /nfs/dbraw/zinc/88/03/10/643880310.db2.gz VHFSWPMCTCYTFQ-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086068430 643898577 /nfs/dbraw/zinc/89/85/77/643898577.db2.gz VRFJANZHTJHVPI-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000922744200 644086167 /nfs/dbraw/zinc/08/61/67/644086167.db2.gz WWFAPAZHVNDOAH-GARJFASQSA-N 2 1 242.367 0.328 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279430 644311441 /nfs/dbraw/zinc/31/14/41/644311441.db2.gz AQKBPISKKGCBNM-ZJUUUORDSA-N 2 1 218.366 0.381 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923279679 644312126 /nfs/dbraw/zinc/31/21/26/644312126.db2.gz BEDXCEQWMAFGTE-CYBMUJFWSA-N 2 1 242.363 0.600 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280944 644314114 /nfs/dbraw/zinc/31/41/14/644314114.db2.gz MGJGZRGLUQCCNB-NWDGAFQWSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280944 644314119 /nfs/dbraw/zinc/31/41/19/644314119.db2.gz MGJGZRGLUQCCNB-NWDGAFQWSA-N 2 1 239.363 0.036 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281785 644315410 /nfs/dbraw/zinc/31/54/10/644315410.db2.gz PPMAFFYJDWXUHF-RYUDHWBXSA-N 2 1 230.352 0.443 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280946 644315841 /nfs/dbraw/zinc/31/58/41/644315841.db2.gz MGJGZRGLUQCCNB-RYUDHWBXSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280946 644315844 /nfs/dbraw/zinc/31/58/44/644315844.db2.gz MGJGZRGLUQCCNB-RYUDHWBXSA-N 2 1 239.363 0.036 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282767 644316746 /nfs/dbraw/zinc/31/67/46/644316746.db2.gz XQMTUKVHIACEIF-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288384 644322396 /nfs/dbraw/zinc/32/23/96/644322396.db2.gz JJBRQVLXUPZPDT-SDDRHHMPSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923288633 644322567 /nfs/dbraw/zinc/32/25/67/644322567.db2.gz LVKXYBAYCPBRGY-AXFHLTTASA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923288633 644322573 /nfs/dbraw/zinc/32/25/73/644322573.db2.gz LVKXYBAYCPBRGY-AXFHLTTASA-N 2 1 232.393 0.770 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288387 644322936 /nfs/dbraw/zinc/32/29/36/644322936.db2.gz JJBRQVLXUPZPDT-WOPDTQHZSA-N 2 1 230.352 0.443 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289036 644322972 /nfs/dbraw/zinc/32/29/72/644322972.db2.gz CXVULIMBFJAEJP-WOPDTQHZSA-N 3 1 239.363 0.034 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289036 644322976 /nfs/dbraw/zinc/32/29/76/644322976.db2.gz CXVULIMBFJAEJP-WOPDTQHZSA-N 2 1 239.363 0.034 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@H](O)CCOC(C)C)CC1 ZINC000923288688 644323003 /nfs/dbraw/zinc/32/30/03/644323003.db2.gz ZUXAORCOKABWDL-CYBMUJFWSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923289299 644323033 /nfs/dbraw/zinc/32/30/33/644323033.db2.gz OOFSTGQNFQSLKE-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923289299 644323038 /nfs/dbraw/zinc/32/30/38/644323038.db2.gz OOFSTGQNFQSLKE-AGIUHOORSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923289732 644323767 /nfs/dbraw/zinc/32/37/67/644323767.db2.gz LBCGEZZHODASPB-RYUDHWBXSA-N 2 1 230.352 0.709 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923290207 644324771 /nfs/dbraw/zinc/32/47/71/644324771.db2.gz VVUZPEXRICCANU-AVGNSLFASA-N 2 1 244.379 0.832 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923291921 644327985 /nfs/dbraw/zinc/32/79/85/644327985.db2.gz UKNRWNCXSCQKRN-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294428 644332176 /nfs/dbraw/zinc/33/21/76/644332176.db2.gz LNWKIUCOJLFOBU-NSHDSACASA-N 3 1 241.379 0.282 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923295338 644333005 /nfs/dbraw/zinc/33/30/05/644333005.db2.gz YANYDBIGUFZEFV-ILDUYXDCSA-N 2 1 232.393 0.912 20 0 BCADMP CC(C)[C@](C)(CN)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923295917 644333353 /nfs/dbraw/zinc/33/33/53/644333353.db2.gz KHRAEVZGERWZDI-NEPJUHHUSA-N 2 1 241.379 0.328 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301180 644337895 /nfs/dbraw/zinc/33/78/95/644337895.db2.gz PJNWXOGIWTYFAR-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301255 644337915 /nfs/dbraw/zinc/33/79/15/644337915.db2.gz RVVCGKNUJBIHHL-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP CCCC[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300513 644338134 /nfs/dbraw/zinc/33/81/34/644338134.db2.gz TXMBZPAVIXZELY-DCAQKATOSA-N 2 1 200.326 0.959 20 0 BCADMP CC[N@@H+](C[C@@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308204 644338293 /nfs/dbraw/zinc/33/82/93/644338293.db2.gz GKMLGDLLUNHATO-BJDJZHNGSA-N 2 1 228.336 0.338 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312099 644340072 /nfs/dbraw/zinc/34/00/72/644340072.db2.gz ARGDSRVZAVAHJK-NWDGAFQWSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)CO1 ZINC000923304012 644341420 /nfs/dbraw/zinc/34/14/20/644341420.db2.gz AZKYHCPHSSMWDR-TUAOUCFPSA-N 2 1 240.347 0.474 20 0 BCADMP COC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312101 644341626 /nfs/dbraw/zinc/34/16/26/644341626.db2.gz ARGDSRVZAVAHJK-VXGBXAGGSA-N 2 1 240.347 0.333 20 0 BCADMP CC1(C)C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923305895 644341973 /nfs/dbraw/zinc/34/19/73/644341973.db2.gz LDYLDLLQUPACHJ-NSHDSACASA-N 2 1 240.347 0.476 20 0 BCADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCOCC1 ZINC000923306469 644342174 /nfs/dbraw/zinc/34/21/74/644342174.db2.gz LJOWMLKYHYJNSA-NSHDSACASA-N 2 1 226.320 0.087 20 0 BCADMP OCCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923317111 644343775 /nfs/dbraw/zinc/34/37/75/644343775.db2.gz YTGGKYKSWZVJFI-LBPRGKRZSA-N 2 1 240.347 0.212 20 0 BCADMP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317155 644344764 /nfs/dbraw/zinc/34/47/64/644344764.db2.gz VBSNDMQZPGRNBM-GRYCIOLGSA-N 2 1 224.348 0.953 20 0 BCADMP CCOC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315031 644344920 /nfs/dbraw/zinc/34/49/20/644344920.db2.gz CLMLWNPUNFPSTO-CYDGBPFRSA-N 2 1 242.363 0.586 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348452 /nfs/dbraw/zinc/34/84/52/644348452.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 2 1 241.379 0.111 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323094 644352641 /nfs/dbraw/zinc/35/26/41/644352641.db2.gz QIIXCOYDDWJYJL-RNJOBUHISA-N 2 1 241.379 0.253 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333125 644355010 /nfs/dbraw/zinc/35/50/10/644355010.db2.gz UOGKWIUEGZCPHS-IVZWLZJFSA-N 2 1 218.366 0.379 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923333997 644355470 /nfs/dbraw/zinc/35/54/70/644355470.db2.gz FBOYKKGLOSSLFQ-QWRGUYRKSA-N 2 1 232.393 0.784 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923332466 644355623 /nfs/dbraw/zinc/35/56/23/644355623.db2.gz QFRZHEICDZIKAY-WDEREUQCSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923332466 644355627 /nfs/dbraw/zinc/35/56/27/644355627.db2.gz QFRZHEICDZIKAY-WDEREUQCSA-N 3 1 211.353 0.798 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923333733 644355646 /nfs/dbraw/zinc/35/56/46/644355646.db2.gz RVMHUFRKEIJQNE-ZDCRXTMVSA-N 2 1 230.377 0.379 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334677 644356732 /nfs/dbraw/zinc/35/67/32/644356732.db2.gz JCWDTYODXWZRSN-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923332027 644359545 /nfs/dbraw/zinc/35/95/45/644359545.db2.gz OFGQGSZGSCZBCX-XQQFMLRXSA-N 2 1 244.379 0.832 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348405 644360534 /nfs/dbraw/zinc/36/05/34/644360534.db2.gz GFYIFMLLBYMPOH-QWRGUYRKSA-N 2 1 232.393 0.771 20 0 BCADMP CC1([NH3+])CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923347103 644365888 /nfs/dbraw/zinc/36/58/88/644365888.db2.gz WGDCRNJRTDSEHZ-LLVKDONJSA-N 2 1 239.363 0.178 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356203 644373492 /nfs/dbraw/zinc/37/34/92/644373492.db2.gz RAPIOXMSRDQLOY-NWDGAFQWSA-N 2 1 244.404 0.786 20 0 BCADMP CCOCCOCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356383 644373909 /nfs/dbraw/zinc/37/39/09/644373909.db2.gz HVSCDIQMFKJPEX-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP CCOCCOCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356383 644373921 /nfs/dbraw/zinc/37/39/21/644373921.db2.gz HVSCDIQMFKJPEX-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP CCOCC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923363312 644376611 /nfs/dbraw/zinc/37/66/11/644376611.db2.gz RNSCQGMWABEBLD-ILDUYXDCSA-N 2 1 216.325 0.195 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367592 644378771 /nfs/dbraw/zinc/37/87/71/644378771.db2.gz IJJDXAZJUWLRQY-UWVGGRQHSA-N 2 1 218.341 0.347 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365904 644379288 /nfs/dbraw/zinc/37/92/88/644379288.db2.gz IGLPOIIQRZRKDE-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359275 644383724 /nfs/dbraw/zinc/38/37/24/644383724.db2.gz PJMLIZKBZDRAJH-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359275 644383730 /nfs/dbraw/zinc/38/37/30/644383730.db2.gz PJMLIZKBZDRAJH-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP CCOCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359277 644384253 /nfs/dbraw/zinc/38/42/53/644384253.db2.gz PJMLIZKBZDRAJH-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359277 644384255 /nfs/dbraw/zinc/38/42/55/644384255.db2.gz PJMLIZKBZDRAJH-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923371226 644384785 /nfs/dbraw/zinc/38/47/85/644384785.db2.gz VWRKOAGIKOBPNE-QWRGUYRKSA-N 2 1 232.368 0.737 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362601 644385774 /nfs/dbraw/zinc/38/57/74/644385774.db2.gz PGRPNCQLTGEQDZ-JHJVBQTASA-N 2 1 242.363 0.315 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362210 644385874 /nfs/dbraw/zinc/38/58/74/644385874.db2.gz LSLZMSGIWWZJJC-GFCCVEGCSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362210 644385877 /nfs/dbraw/zinc/38/58/77/644385877.db2.gz LSLZMSGIWWZJJC-GFCCVEGCSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373784 644388307 /nfs/dbraw/zinc/38/83/07/644388307.db2.gz RNJHVUPZGGXVFZ-GRYCIOLGSA-N 2 1 240.347 0.474 20 0 BCADMP CO[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374589 644388490 /nfs/dbraw/zinc/38/84/90/644388490.db2.gz ZWZQDIOMJFGLJC-UHFZAUJKSA-N 2 1 228.336 0.194 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923372979 644389706 /nfs/dbraw/zinc/38/97/06/644389706.db2.gz KQHLXIGDHVXCKO-RYUDHWBXSA-N 2 1 230.352 0.491 20 0 BCADMP COC[C@@H]1CCCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923376809 644392621 /nfs/dbraw/zinc/39/26/21/644392621.db2.gz PEGJUDVCEXGNLV-VOAKCMCISA-N 2 1 242.363 0.586 20 0 BCADMP CC(C)CC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377692 644392626 /nfs/dbraw/zinc/39/26/26/644392626.db2.gz AVASNJZNZBNXDS-OLZOCXBDSA-N 2 1 244.379 0.833 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923381494 644393295 /nfs/dbraw/zinc/39/32/95/644393295.db2.gz DOXPAEPRWMTMOQ-USZNOCQGSA-N 2 1 230.352 0.299 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923383308 644393822 /nfs/dbraw/zinc/39/38/22/644393822.db2.gz YUJVNMIYLYSINW-IJLUTSLNSA-N 2 1 239.363 0.224 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923385310 644394670 /nfs/dbraw/zinc/39/46/70/644394670.db2.gz ZXDYGVSBYTYWHV-UTUOFQBUSA-N 2 1 240.347 0.210 20 0 BCADMP C[N@@H+](CCCn1ccnc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923390906 644397420 /nfs/dbraw/zinc/39/74/20/644397420.db2.gz ZMWPCJKBGVTDNP-SRVKXCTJSA-N 2 1 238.335 0.056 20 0 BCADMP c1cn(C[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923385707 644398096 /nfs/dbraw/zinc/39/80/96/644398096.db2.gz GRIGNFUOYBXQRZ-GFCCVEGCSA-N 2 1 249.362 0.742 20 0 BCADMP C[N@@H+](CCOC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923387684 644398650 /nfs/dbraw/zinc/39/86/50/644398650.db2.gz JUTZFEOBQJEWCT-DCAQKATOSA-N 2 1 230.352 0.584 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923385653 644400013 /nfs/dbraw/zinc/40/00/13/644400013.db2.gz FUMIANQOSRPOGH-NSHDSACASA-N 2 1 232.368 0.689 20 0 BCADMP CC(C)COC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923385653 644400019 /nfs/dbraw/zinc/40/00/19/644400019.db2.gz FUMIANQOSRPOGH-NSHDSACASA-N 2 1 232.368 0.689 20 0 BCADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923388870 644403322 /nfs/dbraw/zinc/40/33/22/644403322.db2.gz LBLPLMVWMROKEJ-DGORSVRFSA-N 2 1 228.336 0.336 20 0 BCADMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398057 644404532 /nfs/dbraw/zinc/40/45/32/644404532.db2.gz JPMGSPJFBZUXKD-XQQFMLRXSA-N 2 1 242.363 0.586 20 0 BCADMP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398057 644404527 /nfs/dbraw/zinc/40/45/27/644404527.db2.gz JPMGSPJFBZUXKD-XQQFMLRXSA-N 2 1 242.363 0.586 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923400527 644406883 /nfs/dbraw/zinc/40/68/83/644406883.db2.gz ZCEZQDNTFGVHII-AXFHLTTASA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923400527 644406887 /nfs/dbraw/zinc/40/68/87/644406887.db2.gz ZCEZQDNTFGVHII-AXFHLTTASA-N 2 1 230.377 0.524 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412615 644414234 /nfs/dbraw/zinc/41/42/34/644414234.db2.gz RTAIFHMDNLIRED-GHMZBOCLSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412615 644414240 /nfs/dbraw/zinc/41/42/40/644414240.db2.gz RTAIFHMDNLIRED-GHMZBOCLSA-N 3 1 211.353 0.655 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411392 644414696 /nfs/dbraw/zinc/41/46/96/644414696.db2.gz OMVYIVCOWAYJCX-RWMBFGLXSA-N 2 1 244.379 0.547 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412642 644415061 /nfs/dbraw/zinc/41/50/61/644415061.db2.gz RYRJGHWVBNMZKV-CHWSQXEVSA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412642 644415066 /nfs/dbraw/zinc/41/50/66/644415066.db2.gz RYRJGHWVBNMZKV-CHWSQXEVSA-N 2 1 244.379 0.977 20 0 BCADMP CC(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923423007 644418754 /nfs/dbraw/zinc/41/87/54/644418754.db2.gz YMHLREZRYBEYJU-BJDJZHNGSA-N 2 1 226.320 0.138 20 0 BCADMP COC[C@@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424305 644420461 /nfs/dbraw/zinc/42/04/61/644420461.db2.gz QMYOBNLSEVYDTE-BJDJZHNGSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424305 644420464 /nfs/dbraw/zinc/42/04/64/644420464.db2.gz QMYOBNLSEVYDTE-BJDJZHNGSA-N 2 1 230.352 0.441 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](CF)C2)C1 ZINC000923423710 644420599 /nfs/dbraw/zinc/42/05/99/644420599.db2.gz MKJVCYFVVKVEPE-KATARQTJSA-N 2 1 202.273 0.128 20 0 BCADMP COC[C@@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424311 644420615 /nfs/dbraw/zinc/42/06/15/644420615.db2.gz QMYOBNLSEVYDTE-WYUUTHIRSA-N 2 1 230.352 0.441 20 0 BCADMP COC[C@@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424311 644420617 /nfs/dbraw/zinc/42/06/17/644420617.db2.gz QMYOBNLSEVYDTE-WYUUTHIRSA-N 2 1 230.352 0.441 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427110 644421835 /nfs/dbraw/zinc/42/18/35/644421835.db2.gz RCVUHNPCNNDGEZ-RWMBFGLXSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432711 644426649 /nfs/dbraw/zinc/42/66/49/644426649.db2.gz IPJUJZRAGCWGJO-NEPJUHHUSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432750 644427039 /nfs/dbraw/zinc/42/70/39/644427039.db2.gz JMKBEIGVYJGERS-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1noc(C[NH3+])n1 ZINC000923436857 644428597 /nfs/dbraw/zinc/42/85/97/644428597.db2.gz QHISKRRPJIVLEI-XHNCKOQMSA-N 2 1 239.323 0.099 20 0 BCADMP CC(C)=CCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460437 644438469 /nfs/dbraw/zinc/43/84/69/644438469.db2.gz NUBPKCBJJROCFG-UHFFFAOYSA-N 2 1 211.353 0.838 20 0 BCADMP CC[NH+](CC)CCCN1CCNCC[NH2+]CC1 ZINC000923459368 644439685 /nfs/dbraw/zinc/43/96/85/644439685.db2.gz GXMOKUINIOQGQI-UHFFFAOYSA-N 2 1 242.411 0.213 20 0 BCADMP C[NH2+]CCCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451992 644442310 /nfs/dbraw/zinc/44/23/10/644442310.db2.gz RPQUPDZVFIASNW-LBPRGKRZSA-N 2 1 241.379 0.426 20 0 BCADMP N[C@]1(CO)CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000923474247 644450659 /nfs/dbraw/zinc/45/06/59/644450659.db2.gz ZJMTZMUFPOBCMO-CYBMUJFWSA-N 2 1 243.395 0.681 20 0 BCADMP N[C@]1(CO)CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000923474247 644450661 /nfs/dbraw/zinc/45/06/61/644450661.db2.gz ZJMTZMUFPOBCMO-CYBMUJFWSA-N 2 1 243.395 0.681 20 0 BCADMP CCO[C@H](C[N@@H+]1CCC[C@@](N)(CO)C1)C1CC1 ZINC000923475193 644454434 /nfs/dbraw/zinc/45/44/34/644454434.db2.gz OJVZODFKUYOPJF-OLZOCXBDSA-N 2 1 242.363 0.587 20 0 BCADMP CCO[C@H](C[N@H+]1CCC[C@@](N)(CO)C1)C1CC1 ZINC000923475193 644454442 /nfs/dbraw/zinc/45/44/42/644454442.db2.gz OJVZODFKUYOPJF-OLZOCXBDSA-N 2 1 242.363 0.587 20 0 BCADMP Cc1nnc([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)[nH]1 ZINC000923480596 644458293 /nfs/dbraw/zinc/45/82/93/644458293.db2.gz JNYGTTAVJSGOBN-WPRPVWTQSA-N 2 1 223.324 0.845 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000923482296 644459717 /nfs/dbraw/zinc/45/97/17/644459717.db2.gz YGOAALOVHXCGLD-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP Cn1c(C[N@@H+]2CC[C@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482001 644459778 /nfs/dbraw/zinc/45/97/78/644459778.db2.gz BPLQMMCNIQIFQI-JTQLQIEISA-N 2 1 249.362 0.863 20 0 BCADMP Cn1c(C[N@H+]2CC[C@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482001 644459782 /nfs/dbraw/zinc/45/97/82/644459782.db2.gz BPLQMMCNIQIFQI-JTQLQIEISA-N 2 1 249.362 0.863 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000923481033 644459959 /nfs/dbraw/zinc/45/99/59/644459959.db2.gz FTHWSVZKXSIZGX-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488122 644461159 /nfs/dbraw/zinc/46/11/59/644461159.db2.gz DNKLXCDUWRYZPQ-WCBMZHEXSA-N 2 1 224.308 0.795 20 0 BCADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485157 644462404 /nfs/dbraw/zinc/46/24/04/644462404.db2.gz PIEXMPDSNJDYDG-WDEREUQCSA-N 2 1 228.336 0.999 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000923484287 644462905 /nfs/dbraw/zinc/46/29/05/644462905.db2.gz XSQIPIZUSKUATA-LLVKDONJSA-N 3 1 211.353 0.657 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495462 644463287 /nfs/dbraw/zinc/46/32/87/644463287.db2.gz WCPBJSOSVLKUSP-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923491116 644465028 /nfs/dbraw/zinc/46/50/28/644465028.db2.gz RBWBHTPPAJYZIS-AAEUAGOBSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923490516 644465810 /nfs/dbraw/zinc/46/58/10/644465810.db2.gz ODUHSVHHUFGQNY-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1C[NH3+] ZINC000923490516 644465812 /nfs/dbraw/zinc/46/58/12/644465812.db2.gz ODUHSVHHUFGQNY-VHSXEESVSA-N 2 1 223.324 0.232 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923491074 644466093 /nfs/dbraw/zinc/46/60/93/644466093.db2.gz QNZOGLWPGMNNKG-WOPDTQHZSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923491549 644466892 /nfs/dbraw/zinc/46/68/92/644466892.db2.gz STYARVMYLATJIA-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492250 644468043 /nfs/dbraw/zinc/46/80/43/644468043.db2.gz MLLGRVKQUJLQNW-MXWKQRLJSA-N 2 1 241.335 0.065 20 0 BCADMP C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492268 644468085 /nfs/dbraw/zinc/46/80/85/644468085.db2.gz AZBKJUVVLPNCII-OPRDCNLKSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492268 644468087 /nfs/dbraw/zinc/46/80/87/644468087.db2.gz AZBKJUVVLPNCII-OPRDCNLKSA-N 2 1 238.339 0.188 20 0 BCADMP C[C@@H]1C[N@@H+](CC2(O)CCOCC2)CC[C@H]1C[NH3+] ZINC000923492934 644468306 /nfs/dbraw/zinc/46/83/06/644468306.db2.gz ZPIRAUAZPMKXPK-NEPJUHHUSA-N 2 1 242.363 0.445 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923491422 644468749 /nfs/dbraw/zinc/46/87/49/644468749.db2.gz RVLZCNLNBKUDSG-WDEREUQCSA-N 2 1 237.351 0.715 20 0 BCADMP CCn1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923491422 644468754 /nfs/dbraw/zinc/46/87/54/644468754.db2.gz RVLZCNLNBKUDSG-WDEREUQCSA-N 2 1 237.351 0.715 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000923496988 644470763 /nfs/dbraw/zinc/47/07/63/644470763.db2.gz DEBHNZPTIQXOHQ-BBBLOLIVSA-N 2 1 212.293 0.219 20 0 BCADMP COC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497532 644472569 /nfs/dbraw/zinc/47/25/69/644472569.db2.gz LUQWFDKFLZZYQD-RKDXNWHRSA-N 2 1 200.282 0.076 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499851 644472840 /nfs/dbraw/zinc/47/28/40/644472840.db2.gz MMDINTJWVPOXNK-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499065 644473221 /nfs/dbraw/zinc/47/32/21/644473221.db2.gz QSHIJIOCGHVUFY-OUAUKWLOSA-N 2 1 227.352 0.380 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)O[C@H]1CCOC1 ZINC000923515667 644480573 /nfs/dbraw/zinc/48/05/73/644480573.db2.gz JXGFDMBYUYXNQW-XQQFMLRXSA-N 2 1 240.347 0.333 20 0 BCADMP Cn1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1=O ZINC000923517211 644481313 /nfs/dbraw/zinc/48/13/13/644481313.db2.gz AXQVFWNNMNRYAO-QWHCGFSZSA-N 2 1 247.342 0.427 20 0 BCADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518168 644482830 /nfs/dbraw/zinc/48/28/30/644482830.db2.gz AUJFAKPHEHWGQP-TUAOUCFPSA-N 2 1 237.347 0.149 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC)C1 ZINC000957385928 644722842 /nfs/dbraw/zinc/72/28/42/644722842.db2.gz RFNXSEWZXRBSMK-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC)C1 ZINC000957385928 644722845 /nfs/dbraw/zinc/72/28/45/644722845.db2.gz RFNXSEWZXRBSMK-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000250505480 644761023 /nfs/dbraw/zinc/76/10/23/644761023.db2.gz MFYUODVFSYXRPL-IJLUTSLNSA-N 2 1 230.352 0.443 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000250505480 644761031 /nfs/dbraw/zinc/76/10/31/644761031.db2.gz MFYUODVFSYXRPL-IJLUTSLNSA-N 2 1 230.352 0.443 20 0 BCADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765690 /nfs/dbraw/zinc/76/56/90/644765690.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765698 /nfs/dbraw/zinc/76/56/98/644765698.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765703 /nfs/dbraw/zinc/76/57/03/644765703.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765707 /nfs/dbraw/zinc/76/57/07/644765707.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 2 1 223.364 0.907 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000251081363 644790932 /nfs/dbraw/zinc/79/09/32/644790932.db2.gz LWRNBOIFQFQKML-GARJFASQSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000251081363 644790936 /nfs/dbraw/zinc/79/09/36/644790936.db2.gz LWRNBOIFQFQKML-GARJFASQSA-N 2 1 200.326 0.817 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546945 644860804 /nfs/dbraw/zinc/86/08/04/644860804.db2.gz LBAWTEISVDKCOE-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546945 644860812 /nfs/dbraw/zinc/86/08/12/644860812.db2.gz LBAWTEISVDKCOE-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP CC[S@](=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703325 644885558 /nfs/dbraw/zinc/88/55/58/644885558.db2.gz VEIAJRCNTSONLX-WQGACYEGSA-N 2 1 244.404 0.971 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000304378264 644899162 /nfs/dbraw/zinc/89/91/62/644899162.db2.gz PZZTZWDUXCWODH-LLVKDONJSA-N 2 1 225.336 0.278 20 0 BCADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843125 644913400 /nfs/dbraw/zinc/91/34/00/644913400.db2.gz CXXKQRFHVIBSDX-SDDRHHMPSA-N 2 1 234.347 0.979 20 0 BCADMP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843125 644913405 /nfs/dbraw/zinc/91/34/05/644913405.db2.gz CXXKQRFHVIBSDX-SDDRHHMPSA-N 2 1 234.347 0.979 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253203208 644943377 /nfs/dbraw/zinc/94/33/77/644943377.db2.gz ZGXHTAFNRKJBLS-SDDRHHMPSA-N 2 1 230.352 0.301 20 0 BCADMP CNC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000827867441 645088157 /nfs/dbraw/zinc/08/81/57/645088157.db2.gz IJFRYDGKLZQHCD-UHFFFAOYSA-N 2 1 249.358 0.926 20 0 BCADMP CNC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000827867441 645088159 /nfs/dbraw/zinc/08/81/59/645088159.db2.gz IJFRYDGKLZQHCD-UHFFFAOYSA-N 2 1 249.358 0.926 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)n1 ZINC000843389752 645289708 /nfs/dbraw/zinc/28/97/08/645289708.db2.gz QPVBAWVSSOVASG-LBPRGKRZSA-N 2 1 249.362 0.452 20 0 BCADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)n1 ZINC000843389752 645289711 /nfs/dbraw/zinc/28/97/11/645289711.db2.gz QPVBAWVSSOVASG-LBPRGKRZSA-N 2 1 249.362 0.452 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000844187354 645316729 /nfs/dbraw/zinc/31/67/29/645316729.db2.gz GISIFHMDLBRPSI-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926709065 645372952 /nfs/dbraw/zinc/37/29/52/645372952.db2.gz XQFQMNLHTOVIPC-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926709065 645372956 /nfs/dbraw/zinc/37/29/56/645372956.db2.gz XQFQMNLHTOVIPC-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP O=C1CCC2=C(CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)N1 ZINC000852753513 645488326 /nfs/dbraw/zinc/48/83/26/645488326.db2.gz CMOIALHNYDZNSG-NSHDSACASA-N 2 1 249.358 0.856 20 0 BCADMP CCO[C@@H](C[NH2+][C@@H](C)CCO)C[NH+](C)C ZINC000926959971 645501340 /nfs/dbraw/zinc/50/13/40/645501340.db2.gz LJSVQOAZAAHWDN-QWRGUYRKSA-N 2 1 218.341 0.314 20 0 BCADMP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)C[NH+](C)C ZINC000926960934 645501412 /nfs/dbraw/zinc/50/14/12/645501412.db2.gz HQZIVCJZCXHURN-RWMBFGLXSA-N 2 1 244.379 0.968 20 0 BCADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425120 645740562 /nfs/dbraw/zinc/74/05/62/645740562.db2.gz HBSOCWRSQABMFL-OUAUKWLOSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928432135 645745657 /nfs/dbraw/zinc/74/56/57/645745657.db2.gz PKNQRFXISXTPQT-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928432135 645745661 /nfs/dbraw/zinc/74/56/61/645745661.db2.gz PKNQRFXISXTPQT-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928432135 645745665 /nfs/dbraw/zinc/74/56/65/645745665.db2.gz PKNQRFXISXTPQT-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000928432138 645745786 /nfs/dbraw/zinc/74/57/86/645745786.db2.gz PKNQRFXISXTPQT-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000928432138 645745793 /nfs/dbraw/zinc/74/57/93/645745793.db2.gz PKNQRFXISXTPQT-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000928432138 645745799 /nfs/dbraw/zinc/74/57/99/645745799.db2.gz PKNQRFXISXTPQT-WOPDTQHZSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+]1C ZINC000928430498 645747037 /nfs/dbraw/zinc/74/70/37/645747037.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[N@@H+]1C ZINC000928430498 645747041 /nfs/dbraw/zinc/74/70/41/645747041.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 1 248.330 0.722 20 0 BCADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436432 645756534 /nfs/dbraw/zinc/75/65/34/645756534.db2.gz GCJIPUCYEWADAZ-IJLUTSLNSA-N 2 1 241.379 0.781 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928553218 645810107 /nfs/dbraw/zinc/81/01/07/645810107.db2.gz LSBWABZBTWAZFM-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000928558525 645816216 /nfs/dbraw/zinc/81/62/16/645816216.db2.gz WZUJKZMEBMROMG-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000928558525 645816217 /nfs/dbraw/zinc/81/62/17/645816217.db2.gz WZUJKZMEBMROMG-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000928558525 645816222 /nfs/dbraw/zinc/81/62/22/645816222.db2.gz WZUJKZMEBMROMG-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000928558525 645816224 /nfs/dbraw/zinc/81/62/24/645816224.db2.gz WZUJKZMEBMROMG-NEPJUHHUSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@@H+](CCN[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925499675 645940087 /nfs/dbraw/zinc/94/00/87/645940087.db2.gz SGYRQWRIIBSHBU-LBPRGKRZSA-N 2 1 241.379 0.439 20 0 BCADMP Nc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000929313321 646074761 /nfs/dbraw/zinc/07/47/61/646074761.db2.gz UWGPWICHYSDPOD-GHMZBOCLSA-N 2 1 218.304 0.315 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000924653220 646087115 /nfs/dbraw/zinc/08/71/15/646087115.db2.gz HTXKVYOOYYFCHC-RYUDHWBXSA-N 2 1 230.352 0.579 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637769 646215204 /nfs/dbraw/zinc/21/52/04/646215204.db2.gz ONLBWFUMYNXMNM-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637769 646215212 /nfs/dbraw/zinc/21/52/12/646215212.db2.gz ONLBWFUMYNXMNM-QWHCGFSZSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CO ZINC000929721798 646275182 /nfs/dbraw/zinc/27/51/82/646275182.db2.gz GRBCKORSEULSMB-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CO ZINC000929721798 646275190 /nfs/dbraw/zinc/27/51/90/646275190.db2.gz GRBCKORSEULSMB-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CO ZINC000929721798 646275196 /nfs/dbraw/zinc/27/51/96/646275196.db2.gz GRBCKORSEULSMB-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CO ZINC000929721798 646275205 /nfs/dbraw/zinc/27/52/05/646275205.db2.gz GRBCKORSEULSMB-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929749762 646279358 /nfs/dbraw/zinc/27/93/58/646279358.db2.gz RTSWHOFYHHYHAO-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000929749762 646279361 /nfs/dbraw/zinc/27/93/61/646279361.db2.gz RTSWHOFYHHYHAO-AGIUHOORSA-N 2 1 244.379 0.392 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000925510747 646308252 /nfs/dbraw/zinc/30/82/52/646308252.db2.gz YFNIZFWIEHKBHD-JTQLQIEISA-N 2 1 208.309 0.613 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925511173 646308324 /nfs/dbraw/zinc/30/83/24/646308324.db2.gz HUTRTIJZPBTRHJ-WDEREUQCSA-N 2 1 235.335 0.541 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929781588 646308327 /nfs/dbraw/zinc/30/83/27/646308327.db2.gz YUDIYJPWUNDRLS-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929781588 646308332 /nfs/dbraw/zinc/30/83/32/646308332.db2.gz YUDIYJPWUNDRLS-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2COCCO2)CC[N@@H+]1C ZINC000929782316 646309551 /nfs/dbraw/zinc/30/95/51/646309551.db2.gz LSLKXCSTTQQJNZ-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2COCCO2)CC[N@H+]1C ZINC000929782316 646309553 /nfs/dbraw/zinc/30/95/53/646309553.db2.gz LSLKXCSTTQQJNZ-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2COCCO2)CC[NH+]1C ZINC000929782316 646309556 /nfs/dbraw/zinc/30/95/56/646309556.db2.gz LSLKXCSTTQQJNZ-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2COCCO2)CC[NH+]1C ZINC000929782316 646309558 /nfs/dbraw/zinc/30/95/58/646309558.db2.gz LSLKXCSTTQQJNZ-AGIUHOORSA-N 2 1 242.363 0.816 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309636 /nfs/dbraw/zinc/30/96/36/646309636.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309637 /nfs/dbraw/zinc/30/96/37/646309637.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309640 /nfs/dbraw/zinc/30/96/40/646309640.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925515363 646310199 /nfs/dbraw/zinc/31/01/99/646310199.db2.gz HSMJNKFPKQBPJI-UTUOFQBUSA-N 2 1 227.352 0.047 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929787692 646318248 /nfs/dbraw/zinc/31/82/48/646318248.db2.gz MJNIIHXGSQVADO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929787692 646318255 /nfs/dbraw/zinc/31/82/55/646318255.db2.gz MJNIIHXGSQVADO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929787692 646318264 /nfs/dbraw/zinc/31/82/64/646318264.db2.gz MJNIIHXGSQVADO-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)C[N@H+]1C1CC1 ZINC000925543593 646325147 /nfs/dbraw/zinc/32/51/47/646325147.db2.gz VNFLTJAEJNHVBV-IJLUTSLNSA-N 2 1 239.363 0.190 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553481 646329843 /nfs/dbraw/zinc/32/98/43/646329843.db2.gz SLKNMBNEYVNIBL-NTZNESFSSA-N 2 1 239.363 0.047 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565735 646331735 /nfs/dbraw/zinc/33/17/35/646331735.db2.gz XKHSXDNVUZCYFI-GHMZBOCLSA-N 2 1 211.353 0.811 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925571783 646340207 /nfs/dbraw/zinc/34/02/07/646340207.db2.gz JAZHMCAJWSRIJF-NEPJUHHUSA-N 2 1 242.363 0.912 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925573530 646341630 /nfs/dbraw/zinc/34/16/30/646341630.db2.gz OFUMFSMMQPAOJS-VHSXEESVSA-N 2 1 225.336 0.515 20 0 BCADMP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000925578306 646344014 /nfs/dbraw/zinc/34/40/14/646344014.db2.gz USMWMUWYBYZKKD-WDEREUQCSA-N 2 1 249.362 0.631 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925611349 646347371 /nfs/dbraw/zinc/34/73/71/646347371.db2.gz LKFAFHDTJGATRS-OPRDCNLKSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925582221 646347497 /nfs/dbraw/zinc/34/74/97/646347497.db2.gz CYBAHMTYIQSIQS-ZMLRMANQSA-N 2 1 234.347 0.997 20 0 BCADMP COCC1([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925604047 646354981 /nfs/dbraw/zinc/35/49/81/646354981.db2.gz UOWKADWKIIXEMO-RNWYCLNJSA-N 2 1 222.332 0.751 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925610914 646359662 /nfs/dbraw/zinc/35/96/62/646359662.db2.gz ITLLZYCFIAPYFC-ONGXEEELSA-N 2 1 216.325 0.114 20 0 BCADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925609362 646359735 /nfs/dbraw/zinc/35/97/35/646359735.db2.gz TZGLDAFFVZIQGJ-JQWIXIFHSA-N 2 1 212.337 0.878 20 0 BCADMP OCCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925612746 646361708 /nfs/dbraw/zinc/36/17/08/646361708.db2.gz UWHTZMGQGOKPQE-LLVKDONJSA-N 2 1 228.336 0.260 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925617278 646364706 /nfs/dbraw/zinc/36/47/06/646364706.db2.gz CIYHGECGZUTIOY-UWVGGRQHSA-N 2 1 200.326 0.733 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000925616730 646365885 /nfs/dbraw/zinc/36/58/85/646365885.db2.gz NJPSIQZLLMZKDS-WCFLWFBJSA-N 2 1 242.363 0.504 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925617280 646365922 /nfs/dbraw/zinc/36/59/22/646365922.db2.gz CIYHGECGZUTIOY-ZJUUUORDSA-N 2 1 200.326 0.733 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925619279 646366869 /nfs/dbraw/zinc/36/68/69/646366869.db2.gz YVZKILYGGRQJSP-NXEZZACHSA-N 2 1 239.319 0.297 20 0 BCADMP c1nc2n(n1)C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925620882 646367773 /nfs/dbraw/zinc/36/77/73/646367773.db2.gz IPJXGNNBETZPHA-QWRGUYRKSA-N 2 1 247.346 0.467 20 0 BCADMP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925621564 646368124 /nfs/dbraw/zinc/36/81/24/646368124.db2.gz FFQXNEKLANLCGN-ZJUUUORDSA-N 2 1 200.326 0.878 20 0 BCADMP Cn1c[nH+]cc1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925641221 646381870 /nfs/dbraw/zinc/38/18/70/646381870.db2.gz BGYMRRFAEQBOLT-NSHDSACASA-N 2 1 222.336 0.693 20 0 BCADMP Cn1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925639268 646382176 /nfs/dbraw/zinc/38/21/76/646382176.db2.gz LCRPGGQHPWNYEK-GFCCVEGCSA-N 2 1 234.347 0.837 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCn2cc[nH+]c2C1 ZINC000925644353 646385445 /nfs/dbraw/zinc/38/54/45/646385445.db2.gz MAHUMSXBOGQCDQ-QWRGUYRKSA-N 2 1 234.347 0.928 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000925644353 646385451 /nfs/dbraw/zinc/38/54/51/646385451.db2.gz MAHUMSXBOGQCDQ-QWRGUYRKSA-N 2 1 234.347 0.928 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000925653930 646392448 /nfs/dbraw/zinc/39/24/48/646392448.db2.gz CHMXHJRSSNUBEO-WOPDTQHZSA-N 2 1 242.363 0.362 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000925656377 646394547 /nfs/dbraw/zinc/39/45/47/646394547.db2.gz NJNARIUYYAQZPA-RVMXOQNASA-N 2 1 242.363 0.362 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000925656373 646395131 /nfs/dbraw/zinc/39/51/31/646395131.db2.gz NJNARIUYYAQZPA-LOWDOPEQSA-N 2 1 242.363 0.362 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925659365 646396413 /nfs/dbraw/zinc/39/64/13/646396413.db2.gz MCCLWOKCYQDYHZ-QWKFWESOSA-N 2 1 242.363 0.647 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668033 646397827 /nfs/dbraw/zinc/39/78/27/646397827.db2.gz FNVZOEOTTCJIPJ-RYUDHWBXSA-N 2 1 229.368 0.293 20 0 BCADMP FC1(F)CC(CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925672323 646403213 /nfs/dbraw/zinc/40/32/13/646403213.db2.gz HIPBEMZQWFAEFH-SECBINFHSA-N 2 1 220.263 0.610 20 0 BCADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC(=O)N1 ZINC000925685358 646410491 /nfs/dbraw/zinc/41/04/91/646410491.db2.gz LLTWYYICPXCQIA-PWSUYJOCSA-N 2 1 237.347 0.529 20 0 BCADMP O=C1NCCC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925684674 646411930 /nfs/dbraw/zinc/41/19/30/646411930.db2.gz CDTKEEJDFHVNFJ-KQAFNVIJSA-N 2 1 249.358 0.099 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686353 646412941 /nfs/dbraw/zinc/41/29/41/646412941.db2.gz UNXGRQFNXGKKBG-YTWAJWBKSA-N 2 1 225.336 0.371 20 0 BCADMP O=C1NCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925685492 646412980 /nfs/dbraw/zinc/41/29/80/646412980.db2.gz JOFIVZUFPPFFHI-WDEREUQCSA-N 2 1 237.347 0.387 20 0 BCADMP Cc1nccn1CCC[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000930060583 646414689 /nfs/dbraw/zinc/41/46/89/646414689.db2.gz MRSANTBWVXXTGZ-CMPLNLGQSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000930060583 646414693 /nfs/dbraw/zinc/41/46/93/646414693.db2.gz MRSANTBWVXXTGZ-CMPLNLGQSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)[C@H](C)O ZINC000930060583 646414696 /nfs/dbraw/zinc/41/46/96/646414696.db2.gz MRSANTBWVXXTGZ-CMPLNLGQSA-N 2 1 241.335 0.255 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925700053 646423120 /nfs/dbraw/zinc/42/31/20/646423120.db2.gz RDYQWKAAXVVKHP-RXKWGBCNSA-N 2 1 231.290 0.166 20 0 BCADMP Cn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925701809 646425176 /nfs/dbraw/zinc/42/51/76/646425176.db2.gz GBKFIERODDDZLK-ZJUUUORDSA-N 2 1 237.351 0.811 20 0 BCADMP CC1(C)C[C@@H](NC[C@@H]2C[NH2+]CCO2)C[C@@H]([NH3+])C1 ZINC000925704012 646428331 /nfs/dbraw/zinc/42/83/31/646428331.db2.gz FSHGCBAJXSEIIP-WOPDTQHZSA-N 3 1 241.379 0.470 20 0 BCADMP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717161 646441402 /nfs/dbraw/zinc/44/14/02/646441402.db2.gz FOFOPVLXGPZCEY-KXUCPTDWSA-N 2 1 241.335 0.254 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000925725582 646452393 /nfs/dbraw/zinc/45/23/93/646452393.db2.gz AUGGSVRQKIQHNQ-GWOFURMSSA-N 2 1 209.337 0.583 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925769400 646471154 /nfs/dbraw/zinc/47/11/54/646471154.db2.gz CEAYKVSMLHQTFM-TUAOUCFPSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782087 646479958 /nfs/dbraw/zinc/47/99/58/646479958.db2.gz KUNALTQOHUVQLB-OUAUKWLOSA-N 2 1 247.333 0.771 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925785339 646481598 /nfs/dbraw/zinc/48/15/98/646481598.db2.gz WJZDYNBEXPPJTH-FDYHWXHSSA-N 2 1 223.364 0.811 20 0 BCADMP COC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925787862 646482642 /nfs/dbraw/zinc/48/26/42/646482642.db2.gz VXKBNWLCCUVJIU-MXWKQRLJSA-N 2 1 200.326 0.855 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925788059 646483491 /nfs/dbraw/zinc/48/34/91/646483491.db2.gz XWPWESBMNLIBPZ-QNWHQSFQSA-N 2 1 225.380 0.820 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925822930 646496758 /nfs/dbraw/zinc/49/67/58/646496758.db2.gz MGQRAUFAJGSTKH-SFXRXQKFSA-N 2 1 225.336 0.228 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925828441 646498293 /nfs/dbraw/zinc/49/82/93/646498293.db2.gz XMNSSENXASVLKJ-MXWKQRLJSA-N 2 1 210.321 0.896 20 0 BCADMP CN(C)[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)C(F)(F)F ZINC000925836419 646504674 /nfs/dbraw/zinc/50/46/74/646504674.db2.gz KKYADIRCSUCJNH-IUCAKERBSA-N 2 1 239.285 0.821 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CN(C)C ZINC000925836231 646504981 /nfs/dbraw/zinc/50/49/81/646504981.db2.gz JCJGWZHDTDMCHM-YNEHKIRRSA-N 2 1 243.395 0.813 20 0 BCADMP CN(C)[C@H](CC[NH2+][C@H]1CC[NH2+]C1)C(F)(F)F ZINC000925836418 646505299 /nfs/dbraw/zinc/50/52/99/646505299.db2.gz KKYADIRCSUCJNH-DTWKUNHWSA-N 2 1 239.285 0.821 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925839599 646506433 /nfs/dbraw/zinc/50/64/33/646506433.db2.gz RYFLFBVJQWJQLE-UWVGGRQHSA-N 2 1 225.336 0.243 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925838718 646506765 /nfs/dbraw/zinc/50/67/65/646506765.db2.gz NQIDZBHAMOMXLW-GMTAPVOTSA-N 2 1 225.336 0.100 20 0 BCADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNOC1 ZINC000925860466 646512880 /nfs/dbraw/zinc/51/28/80/646512880.db2.gz QVZOJLFUAZUDGM-QJPTWQEYSA-N 2 1 227.352 0.790 20 0 BCADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CNOC2)C1 ZINC000925863673 646516995 /nfs/dbraw/zinc/51/69/95/646516995.db2.gz DKMNGCZBFFDFCY-BJDJZHNGSA-N 2 1 225.336 0.400 20 0 BCADMP CCOCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925874567 646525562 /nfs/dbraw/zinc/52/55/62/646525562.db2.gz KIFBKNVKMINCNY-NWDGAFQWSA-N 2 1 230.352 0.770 20 0 BCADMP CC[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925875169 646526280 /nfs/dbraw/zinc/52/62/80/646526280.db2.gz PXODFHUMQISGTG-AVGNSLFASA-N 2 1 242.363 0.912 20 0 BCADMP CCOCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925874568 646526579 /nfs/dbraw/zinc/52/65/79/646526579.db2.gz KIFBKNVKMINCNY-RYUDHWBXSA-N 2 1 230.352 0.770 20 0 BCADMP N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880113 646529795 /nfs/dbraw/zinc/52/97/95/646529795.db2.gz OGELHLRZPFDCJG-RHYQMDGZSA-N 2 1 223.364 0.973 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCCO ZINC000926120599 646577700 /nfs/dbraw/zinc/57/77/00/646577700.db2.gz FWKYKNKTUAXGSV-FUNVUKJBSA-N 2 1 242.363 0.315 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)CO ZINC000926175589 646588859 /nfs/dbraw/zinc/58/88/59/646588859.db2.gz YUFWHIUEKSYJNH-CMPLNLGQSA-N 2 1 230.352 0.050 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)CO ZINC000926175589 646588866 /nfs/dbraw/zinc/58/88/66/646588866.db2.gz YUFWHIUEKSYJNH-CMPLNLGQSA-N 2 1 230.352 0.050 20 0 BCADMP Cn1cncc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926443379 646640620 /nfs/dbraw/zinc/64/06/20/646640620.db2.gz OWPYSEKXGYAVSW-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP C[C@@H](C[NH2+][C@@H]1C(=O)NCC1(C)C)C[NH+](C)C ZINC000926476367 646653667 /nfs/dbraw/zinc/65/36/67/646653667.db2.gz ZZQWQVVTRCLJTL-VHSXEESVSA-N 2 1 227.352 0.298 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000723692543 711534852 /nfs/dbraw/zinc/53/48/52/711534852.db2.gz YWVDMZAJYSBKAH-QMMMGPOBSA-N 2 1 212.322 0.709 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000723894825 711543685 /nfs/dbraw/zinc/54/36/85/711543685.db2.gz OZDVJPRPSRXXIK-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309061088 711586079 /nfs/dbraw/zinc/58/60/79/711586079.db2.gz VXTZSZSVAWWENH-WDEREUQCSA-N 2 1 216.325 0.055 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721928202 711694508 /nfs/dbraw/zinc/69/45/08/711694508.db2.gz PDIOWLQCLUSYNN-WYUUTHIRSA-N 2 1 228.336 0.459 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721928202 711694509 /nfs/dbraw/zinc/69/45/09/711694509.db2.gz PDIOWLQCLUSYNN-WYUUTHIRSA-N 2 1 228.336 0.459 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000396580111 711702289 /nfs/dbraw/zinc/70/22/89/711702289.db2.gz FAUQZFIVOIJVGK-WNYYMSAVSA-N 2 1 239.363 0.761 20 0 BCADMP CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000722184107 711718433 /nfs/dbraw/zinc/71/84/33/711718433.db2.gz PHKARLOFYWQJHJ-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158170138 711832079 /nfs/dbraw/zinc/83/20/79/711832079.db2.gz XBRAAYKMEQSXBP-XQQFMLRXSA-N 2 1 244.379 0.845 20 0 BCADMP COC[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000721911785 711917543 /nfs/dbraw/zinc/91/75/43/711917543.db2.gz KKTWGOMPAIEYSZ-MNOVXSKESA-N 2 1 218.341 0.156 20 0 BCADMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000700176399 711987211 /nfs/dbraw/zinc/98/72/11/711987211.db2.gz ZBHURYXBHWFOGT-JTQLQIEISA-N 2 1 210.325 0.267 20 0 BCADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702628732 712057063 /nfs/dbraw/zinc/05/70/63/712057063.db2.gz OSVAOBDNALVGBY-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702628732 712057064 /nfs/dbraw/zinc/05/70/64/712057064.db2.gz OSVAOBDNALVGBY-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702629168 712057101 /nfs/dbraw/zinc/05/71/01/712057101.db2.gz QYEYNKXLQWXNGR-VHSXEESVSA-N 2 1 232.755 0.803 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500053 712077171 /nfs/dbraw/zinc/07/71/71/712077171.db2.gz CMCRPYCHMOTGMG-ILDUYXDCSA-N 2 1 225.336 0.324 20 0 BCADMP C[N@@H+](CCn1cccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000707482499 712172550 /nfs/dbraw/zinc/17/25/50/712172550.db2.gz HWGLZLISHSAUPN-NEPJUHHUSA-N 2 1 222.336 0.942 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708367937 712191379 /nfs/dbraw/zinc/19/13/79/712191379.db2.gz NIJUYULIKPTPFL-GFCCVEGCSA-N 2 1 244.379 0.969 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@H+](C)C1)[NH2+]2 ZINC000709430433 712221691 /nfs/dbraw/zinc/22/16/91/712221691.db2.gz AJSODDFUPLXUCR-SJHCENCUSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@@H+](C)C1)[NH2+]2 ZINC000709430433 712221693 /nfs/dbraw/zinc/22/16/93/712221693.db2.gz AJSODDFUPLXUCR-SJHCENCUSA-N 2 1 223.364 0.809 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478926 712334472 /nfs/dbraw/zinc/33/44/72/712334472.db2.gz JINAIMAJWFBJOW-CHWSQXEVSA-N 2 1 244.379 0.833 20 0 BCADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000379340716 712375144 /nfs/dbraw/zinc/37/51/44/712375144.db2.gz YIIUDBKNWILVAO-NSHDSACASA-N 2 1 200.326 0.785 20 0 BCADMP COCCC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000379524394 712387176 /nfs/dbraw/zinc/38/71/76/712387176.db2.gz FLWJLPGUOLJXCN-QMMMGPOBSA-N 2 1 210.268 0.937 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000379524394 712387177 /nfs/dbraw/zinc/38/71/77/712387177.db2.gz FLWJLPGUOLJXCN-QMMMGPOBSA-N 2 1 210.268 0.937 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712686755 712440451 /nfs/dbraw/zinc/44/04/51/712440451.db2.gz DOGYUFQZCHELHU-LBPRGKRZSA-N 2 1 242.363 0.853 20 0 BCADMP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000712540447 712443402 /nfs/dbraw/zinc/44/34/02/712443402.db2.gz BDNHJDQYHLGWFS-GFCCVEGCSA-N 2 1 211.353 0.764 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714374743 712484756 /nfs/dbraw/zinc/48/47/56/712484756.db2.gz OIQNARRYFZNZJN-QWRGUYRKSA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714374743 712484757 /nfs/dbraw/zinc/48/47/57/712484757.db2.gz OIQNARRYFZNZJN-QWRGUYRKSA-N 2 1 230.352 0.586 20 0 BCADMP CC(C)(C[NH3+])C1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000714440353 712488945 /nfs/dbraw/zinc/48/89/45/712488945.db2.gz SOKFDULZLHLEOQ-NSHDSACASA-N 2 1 240.347 0.999 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000717640952 712662726 /nfs/dbraw/zinc/66/27/26/712662726.db2.gz JNSPOIMWWYJYRF-QWRGUYRKSA-N 2 1 212.337 0.879 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392814162 712838737 /nfs/dbraw/zinc/83/87/37/712838737.db2.gz FGZUTDNGJIWNNX-MJYBNVITSA-N 2 1 224.348 0.589 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720900783 712875487 /nfs/dbraw/zinc/87/54/87/712875487.db2.gz QTKCCNNRRIXYSY-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901804 712875700 /nfs/dbraw/zinc/87/57/00/712875700.db2.gz UBXZSLODRCYKRK-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896462 712876951 /nfs/dbraw/zinc/87/69/51/712876951.db2.gz DGHKLVVFSITYJB-ZJUUUORDSA-N 2 1 225.336 0.419 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)C1CC1 ZINC000380363874 712897944 /nfs/dbraw/zinc/89/79/44/712897944.db2.gz ZUUOHNWFYHPOQN-LLVKDONJSA-N 2 1 209.293 0.552 20 0 BCADMP COC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381533283 710651368 /nfs/dbraw/zinc/65/13/68/710651368.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381533283 710651371 /nfs/dbraw/zinc/65/13/71/710651371.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 2 1 226.320 0.433 20 0 BCADMP COC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000381533283 710651374 /nfs/dbraw/zinc/65/13/74/710651374.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 2 1 226.320 0.433 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)C[C@H]1C[NH3+] ZINC000721957851 710694567 /nfs/dbraw/zinc/69/45/67/710694567.db2.gz BKJHGXSFGHAVNR-FVCCEPFGSA-N 2 1 242.363 0.707 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380407436 712900752 /nfs/dbraw/zinc/90/07/52/712900752.db2.gz WMKOZECLPBUHET-GRYCIOLGSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000380407436 712900753 /nfs/dbraw/zinc/90/07/53/712900753.db2.gz WMKOZECLPBUHET-GRYCIOLGSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380407436 712900754 /nfs/dbraw/zinc/90/07/54/712900754.db2.gz WMKOZECLPBUHET-GRYCIOLGSA-N 2 1 212.337 0.639 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380407436 712900755 /nfs/dbraw/zinc/90/07/55/712900755.db2.gz WMKOZECLPBUHET-GRYCIOLGSA-N 2 1 212.337 0.639 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724922255 710748738 /nfs/dbraw/zinc/74/87/38/710748738.db2.gz PXTACMQPSNECHT-RYUDHWBXSA-N 2 1 228.336 0.333 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922256 710749412 /nfs/dbraw/zinc/74/94/12/710749412.db2.gz PXTACMQPSNECHT-VXGBXAGGSA-N 2 1 228.336 0.333 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054913 710753544 /nfs/dbraw/zinc/75/35/44/710753544.db2.gz JDZNBMUQRQBRSB-NEPJUHHUSA-N 2 1 242.363 0.994 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2(C[NH3+])CCOCC2)O1 ZINC000725054913 710753547 /nfs/dbraw/zinc/75/35/47/710753547.db2.gz JDZNBMUQRQBRSB-NEPJUHHUSA-N 2 1 242.363 0.994 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382079852 710772851 /nfs/dbraw/zinc/77/28/51/710772851.db2.gz VOPVYPHJAXXGMF-MCDVFOBDSA-N 2 1 224.348 0.733 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044191083 710822119 /nfs/dbraw/zinc/82/21/19/710822119.db2.gz NUQFYANWGHOZTA-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044191083 710822122 /nfs/dbraw/zinc/82/21/22/710822122.db2.gz NUQFYANWGHOZTA-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382923936 710974405 /nfs/dbraw/zinc/97/44/05/710974405.db2.gz SUMWKYOZAARMJQ-FRRDWIJNSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382923936 710974408 /nfs/dbraw/zinc/97/44/08/710974408.db2.gz SUMWKYOZAARMJQ-FRRDWIJNSA-N 2 1 242.363 0.146 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000384891220 710999289 /nfs/dbraw/zinc/99/92/89/710999289.db2.gz YFGQFOJTPZQPNT-MNOVXSKESA-N 2 1 230.352 0.707 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]21 ZINC000385107509 711006106 /nfs/dbraw/zinc/00/61/06/711006106.db2.gz IPACCNHLIVBTLG-KXNHARMFSA-N 2 1 226.364 0.885 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@H]21 ZINC000385107509 711006111 /nfs/dbraw/zinc/00/61/11/711006111.db2.gz IPACCNHLIVBTLG-KXNHARMFSA-N 2 1 226.364 0.885 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531383 711015254 /nfs/dbraw/zinc/01/52/54/711015254.db2.gz BXYXYMQGJFHTTF-DCAQKATOSA-N 2 1 216.325 0.053 20 0 BCADMP COCCOCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380697824 712902652 /nfs/dbraw/zinc/90/26/52/712902652.db2.gz KHOHNKJVRZINIX-NWDGAFQWSA-N 2 1 228.336 0.191 20 0 BCADMP CNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000389270569 711074602 /nfs/dbraw/zinc/07/46/02/711074602.db2.gz LLULCPYCVANUGD-UHFFFAOYSA-N 2 1 201.314 0.183 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000389664468 711085616 /nfs/dbraw/zinc/08/56/16/711085616.db2.gz STKMIYKSQJWWQN-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000390465400 711119090 /nfs/dbraw/zinc/11/90/90/711119090.db2.gz AGDPRGLYDJODCV-LBPRGKRZSA-N 2 1 227.352 0.703 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000392923971 711153512 /nfs/dbraw/zinc/15/35/12/711153512.db2.gz PNCNNILSNCFSEB-MCDVFOBDSA-N 2 1 221.348 0.277 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000394148265 711186111 /nfs/dbraw/zinc/18/61/11/711186111.db2.gz LYAIZMVKTVVTIM-BBMNEWJDSA-N 2 1 246.358 0.858 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000394158165 711187633 /nfs/dbraw/zinc/18/76/33/711187633.db2.gz UBYUUEVJJPOSPE-ARSDKDGVSA-N 2 1 249.402 0.914 20 0 BCADMP CS[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000395031470 711201222 /nfs/dbraw/zinc/20/12/22/711201222.db2.gz UXRAMRNZEIVSSG-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP CS[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000395031470 711201225 /nfs/dbraw/zinc/20/12/25/711201225.db2.gz UXRAMRNZEIVSSG-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396611921 711361605 /nfs/dbraw/zinc/36/16/05/711361605.db2.gz KLMAAANORUNBTM-QWRGUYRKSA-N 2 1 227.352 0.631 20 0 BCADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396554180 711353697 /nfs/dbraw/zinc/35/36/97/711353697.db2.gz FXXKTUJIVRVQDJ-MMWGEVLESA-N 2 1 200.326 0.876 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000396575726 711355851 /nfs/dbraw/zinc/35/58/51/711355851.db2.gz CGVXGBGBNDYMMC-QCNOEVLYSA-N 2 1 212.337 0.878 20 0 BCADMP CC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396562489 711356047 /nfs/dbraw/zinc/35/60/47/711356047.db2.gz ILUMXSWYJNOZEQ-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP C[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396591284 711356569 /nfs/dbraw/zinc/35/65/69/711356569.db2.gz TZNWWCNRHAXCTD-MXWKQRLJSA-N 2 1 200.326 0.735 20 0 BCADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396591286 711357163 /nfs/dbraw/zinc/35/71/63/711357163.db2.gz TZNWWCNRHAXCTD-OUAUKWLOSA-N 2 1 200.326 0.735 20 0 BCADMP CC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396581689 711357230 /nfs/dbraw/zinc/35/72/30/711357230.db2.gz PLKNZAHEQNVPKX-GARJFASQSA-N 2 1 200.326 0.878 20 0 BCADMP CCC[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396582794 711357538 /nfs/dbraw/zinc/35/75/38/711357538.db2.gz PWCFKJOYYKWWNI-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000396604263 711358986 /nfs/dbraw/zinc/35/89/86/711358986.db2.gz OIMJNYSNROIZNQ-SRVKXCTJSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H](O)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396592656 711360061 /nfs/dbraw/zinc/36/00/61/711360061.db2.gz ULSPDOVGMQQXGM-AXFHLTTASA-N 2 1 200.326 0.878 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396721568 711366960 /nfs/dbraw/zinc/36/69/60/711366960.db2.gz UFJWACCRMWEOMW-HBNTYKKESA-N 2 1 216.325 0.114 20 0 BCADMP C[C@H]1COCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399332185 711427214 /nfs/dbraw/zinc/42/72/14/711427214.db2.gz VNZVYPBNZHOISE-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399486300 711430028 /nfs/dbraw/zinc/43/00/28/711430028.db2.gz RRRGJNIWXMPFAF-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399486300 711430033 /nfs/dbraw/zinc/43/00/33/711430033.db2.gz RRRGJNIWXMPFAF-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000381311824 710619551 /nfs/dbraw/zinc/61/95/51/710619551.db2.gz OXGMFNZDRVWEIP-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000381311824 710619555 /nfs/dbraw/zinc/61/95/55/710619555.db2.gz OXGMFNZDRVWEIP-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000381311824 710619559 /nfs/dbraw/zinc/61/95/59/710619559.db2.gz OXGMFNZDRVWEIP-OLZOCXBDSA-N 2 1 246.358 0.878 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724561203 710741754 /nfs/dbraw/zinc/74/17/54/710741754.db2.gz AKHFRFBCKQVEKD-KGYLQXTDSA-N 2 1 240.347 0.474 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724563543 710742366 /nfs/dbraw/zinc/74/23/66/710742366.db2.gz NGMDFFFKEZVFBO-RNJOBUHISA-N 2 1 240.347 0.332 20 0 BCADMP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001044958178 710833783 /nfs/dbraw/zinc/83/37/83/710833783.db2.gz GELJEKLHAHWJQL-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045311519 710836115 /nfs/dbraw/zinc/83/61/15/710836115.db2.gz MKSDZRPOLCKLOF-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP c1cnn(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000383288347 710979397 /nfs/dbraw/zinc/97/93/97/710979397.db2.gz JSOZIUXMDXFCTH-OBPIAQAESA-N 2 1 232.331 0.469 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385043015 711004071 /nfs/dbraw/zinc/00/40/71/711004071.db2.gz OMHSUKSGZYXKJQ-SNVBAGLBSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]CCCN2C)C1 ZINC000386540284 711032753 /nfs/dbraw/zinc/03/27/53/711032753.db2.gz DCIDIUWANRXAAS-GFCCVEGCSA-N 2 1 238.379 0.998 20 0 BCADMP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000397304908 711381413 /nfs/dbraw/zinc/38/14/13/711381413.db2.gz HKACEPXHFIFNHG-XNBXPENISA-N 2 1 236.359 0.997 20 0 BCADMP C1=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCOC1 ZINC000397748368 711391003 /nfs/dbraw/zinc/39/10/03/711391003.db2.gz ZYTHQKDDPCRDSW-YHQUGGNUSA-N 2 1 234.343 0.919 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000398310751 711407738 /nfs/dbraw/zinc/40/77/38/711407738.db2.gz LBHPFQZHILSKLH-VHSXEESVSA-N 2 1 213.325 0.243 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000723671251 711533345 /nfs/dbraw/zinc/53/33/45/711533345.db2.gz YVEBWIIWPUWJEX-NSHDSACASA-N 2 1 245.330 0.900 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000723692508 711534158 /nfs/dbraw/zinc/53/41/58/711534158.db2.gz YNJQUHUPWSGRGM-SNVBAGLBSA-N 2 1 208.309 0.623 20 0 BCADMP COC[C@@H](C)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708773 711535868 /nfs/dbraw/zinc/53/58/68/711535868.db2.gz ICHKAEHCJAXKOI-QWRGUYRKSA-N 2 1 200.326 0.940 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000723701784 711536024 /nfs/dbraw/zinc/53/60/24/711536024.db2.gz PUUBNSHHLCCKIA-BDAKNGLRSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CC[NH3+] ZINC000723884997 711543421 /nfs/dbraw/zinc/54/34/21/711543421.db2.gz XEVGXMAAIBSOFL-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CC[NH3+] ZINC000723890028 711544133 /nfs/dbraw/zinc/54/41/33/711544133.db2.gz AIUMJFNCYKAHKD-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1CC[NH3+] ZINC000723909883 711544575 /nfs/dbraw/zinc/54/45/75/711544575.db2.gz TZTHXXJAOQLBMJ-VXGBXAGGSA-N 2 1 236.363 0.879 20 0 BCADMP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907968 711544608 /nfs/dbraw/zinc/54/46/08/711544608.db2.gz CYEWHQKMARLPMV-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891922574 711558107 /nfs/dbraw/zinc/55/81/07/711558107.db2.gz FUGODDRXVIUPKB-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724555107 711589894 /nfs/dbraw/zinc/58/98/94/711589894.db2.gz BLYPHTMUTJKCGC-DCAQKATOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562131 711592624 /nfs/dbraw/zinc/59/26/24/711592624.db2.gz FXZOGYNXHQNRFT-QWQWKMKNSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@@H]1[NH3+] ZINC000724564919 711592746 /nfs/dbraw/zinc/59/27/46/711592746.db2.gz WLBXHMPYPIPPTJ-NAWOPXAZSA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC([NH3+])C1 ZINC000724588620 711595957 /nfs/dbraw/zinc/59/59/57/711595957.db2.gz BGSYVGZEQMPZOI-PFEFSLHISA-N 2 1 226.320 0.212 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000724887071 711625540 /nfs/dbraw/zinc/62/55/40/711625540.db2.gz NPEFJSOVPXBIHV-WUHRBBMRSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000724887071 711625542 /nfs/dbraw/zinc/62/55/42/711625542.db2.gz NPEFJSOVPXBIHV-WUHRBBMRSA-N 2 1 242.363 0.863 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921820 711628584 /nfs/dbraw/zinc/62/85/84/711628584.db2.gz NHSONHHTXHJTLE-NSHDSACASA-N 2 1 230.352 0.709 20 0 BCADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724920573 711628603 /nfs/dbraw/zinc/62/86/03/711628603.db2.gz HEPDRBXSTLWMLN-FRRDWIJNSA-N 2 1 242.363 0.709 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724924585 711629282 /nfs/dbraw/zinc/62/92/82/711629282.db2.gz YGQCGHKTVVZWJG-QWHCGFSZSA-N 2 1 242.363 0.853 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000724927024 711629984 /nfs/dbraw/zinc/62/99/84/711629984.db2.gz VYYUQISGSMWWBR-WXRRBKDZSA-N 2 1 242.363 0.994 20 0 BCADMP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)O[C@@H]1CCOC1 ZINC000724935785 711631374 /nfs/dbraw/zinc/63/13/74/711631374.db2.gz KBUUYEKMMTYKMQ-FRRDWIJNSA-N 2 1 240.347 0.618 20 0 BCADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)O[C@@H]1CCOC1 ZINC000724935785 711631376 /nfs/dbraw/zinc/63/13/76/711631376.db2.gz KBUUYEKMMTYKMQ-FRRDWIJNSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC(O)C3)CC[N@@H+]1C ZINC000724958051 711634564 /nfs/dbraw/zinc/63/45/64/711634564.db2.gz LFVYNMKRVTYEQM-LLDQHTGMSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC(O)C3)CC[N@H+]1C ZINC000724958051 711634566 /nfs/dbraw/zinc/63/45/66/711634566.db2.gz LFVYNMKRVTYEQM-LLDQHTGMSA-N 2 1 224.348 0.972 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724960675 711638093 /nfs/dbraw/zinc/63/80/93/711638093.db2.gz XQWLUVAWTSQBMI-OTTFEQOBSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000383376604 711657645 /nfs/dbraw/zinc/65/76/45/711657645.db2.gz DASRKNDRVKMKCA-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000383376604 711657646 /nfs/dbraw/zinc/65/76/46/711657646.db2.gz DASRKNDRVKMKCA-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP C[C@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000383376604 711657649 /nfs/dbraw/zinc/65/76/49/711657649.db2.gz DASRKNDRVKMKCA-AAEUAGOBSA-N 2 1 241.379 0.077 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925571786 711703026 /nfs/dbraw/zinc/70/30/26/711703026.db2.gz JAZHMCAJWSRIJF-VXGBXAGGSA-N 2 1 242.363 0.912 20 0 BCADMP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722150251 711712251 /nfs/dbraw/zinc/71/22/51/711712251.db2.gz UDHZZRJOOYEEDY-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928564101 711778535 /nfs/dbraw/zinc/77/85/35/711778535.db2.gz UDOYCKWFTGTSIE-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928564101 711778536 /nfs/dbraw/zinc/77/85/36/711778536.db2.gz UDOYCKWFTGTSIE-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928564101 711778537 /nfs/dbraw/zinc/77/85/37/711778537.db2.gz UDOYCKWFTGTSIE-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928564101 711778538 /nfs/dbraw/zinc/77/85/38/711778538.db2.gz UDOYCKWFTGTSIE-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160054987 711805513 /nfs/dbraw/zinc/80/55/13/711805513.db2.gz FHMYKAIZFRQQOK-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCO)CC[C@H]1C(F)(F)F ZINC000700798230 712006131 /nfs/dbraw/zinc/00/61/31/712006131.db2.gz VXYQYGUVNPHWMH-JGVFFNPUSA-N 2 1 226.242 0.438 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCO)CC[C@H]1C(F)(F)F ZINC000700798230 712006129 /nfs/dbraw/zinc/00/61/29/712006129.db2.gz VXYQYGUVNPHWMH-JGVFFNPUSA-N 2 1 226.242 0.438 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665933 712010448 /nfs/dbraw/zinc/01/04/48/712010448.db2.gz SEILNYJOWVCUFC-LBPRGKRZSA-N 2 1 239.363 0.635 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702288346 712045119 /nfs/dbraw/zinc/04/51/19/712045119.db2.gz SVJWYVWBRBTIGP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702288346 712045120 /nfs/dbraw/zinc/04/51/20/712045120.db2.gz SVJWYVWBRBTIGP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702288346 712045121 /nfs/dbraw/zinc/04/51/21/712045121.db2.gz SVJWYVWBRBTIGP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702288346 712045122 /nfs/dbraw/zinc/04/51/22/712045122.db2.gz SVJWYVWBRBTIGP-WCQYABFASA-N 2 1 240.347 0.823 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000702447712 712053646 /nfs/dbraw/zinc/05/36/46/712053646.db2.gz CFPDLAYOGKMVGC-YYJSSNLHSA-N 2 1 212.337 0.878 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053746 /nfs/dbraw/zinc/05/37/46/712053746.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 2 1 237.391 0.870 20 0 BCADMP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CO[C@H]1C ZINC000702605854 712056566 /nfs/dbraw/zinc/05/65/66/712056566.db2.gz XINZXTYQHOKMJP-FIQHERPVSA-N 2 1 228.336 0.066 20 0 BCADMP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CO[C@H]1C ZINC000702605854 712056567 /nfs/dbraw/zinc/05/65/67/712056567.db2.gz XINZXTYQHOKMJP-FIQHERPVSA-N 2 1 228.336 0.066 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703025901 712064978 /nfs/dbraw/zinc/06/49/78/712064978.db2.gz ZMZNLILSJZKDAL-BPCQOVAHSA-N 2 1 242.363 0.336 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703025901 712064981 /nfs/dbraw/zinc/06/49/81/712064981.db2.gz ZMZNLILSJZKDAL-BPCQOVAHSA-N 2 1 242.363 0.336 20 0 BCADMP C[NH+]1C[C@]2(C)C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC000705666430 712135158 /nfs/dbraw/zinc/13/51/58/712135158.db2.gz HDKCOZAYMPDHPL-CHWSQXEVSA-N 2 1 242.363 0.269 20 0 BCADMP C[C@H](CO)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705665550 712135319 /nfs/dbraw/zinc/13/53/19/712135319.db2.gz FYDNTDYHOAVYEY-RWMBFGLXSA-N 2 1 226.364 0.888 20 0 BCADMP C[C@H](CO)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705665550 712135321 /nfs/dbraw/zinc/13/53/21/712135321.db2.gz FYDNTDYHOAVYEY-RWMBFGLXSA-N 2 1 226.364 0.888 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705665550 712135322 /nfs/dbraw/zinc/13/53/22/712135322.db2.gz FYDNTDYHOAVYEY-RWMBFGLXSA-N 2 1 226.364 0.888 20 0 BCADMP C[C@H](CO)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705665550 712135323 /nfs/dbraw/zinc/13/53/23/712135323.db2.gz FYDNTDYHOAVYEY-RWMBFGLXSA-N 2 1 226.364 0.888 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCCCS(C)(=O)=O ZINC000706550340 712149377 /nfs/dbraw/zinc/14/93/77/712149377.db2.gz QLBNICMNXKWSQM-UHFFFAOYSA-N 2 1 236.381 0.353 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCCS(C)(=O)=O ZINC000706550340 712149378 /nfs/dbraw/zinc/14/93/78/712149378.db2.gz QLBNICMNXKWSQM-UHFFFAOYSA-N 2 1 236.381 0.353 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000708112760 712182003 /nfs/dbraw/zinc/18/20/03/712182003.db2.gz SMUQBAASSMUHLO-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000708112760 712182005 /nfs/dbraw/zinc/18/20/05/712182005.db2.gz SMUQBAASSMUHLO-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP CSC1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000708299855 712185724 /nfs/dbraw/zinc/18/57/24/712185724.db2.gz DTOUAIQDRYEQDD-HWOCKDDLSA-N 2 1 218.366 0.393 20 0 BCADMP Cc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000708863034 712201523 /nfs/dbraw/zinc/20/15/23/712201523.db2.gz SMUQBAASSMUHLO-GXSJLCMTSA-N 2 1 220.320 0.812 20 0 BCADMP Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000708863034 712201525 /nfs/dbraw/zinc/20/15/25/712201525.db2.gz SMUQBAASSMUHLO-GXSJLCMTSA-N 2 1 220.320 0.812 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCOC1)C2 ZINC000709824759 712228687 /nfs/dbraw/zinc/22/86/87/712228687.db2.gz VGNCJOFKCXPWOP-RHYQMDGZSA-N 2 1 210.321 0.835 20 0 BCADMP COCC(COC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709851256 712229983 /nfs/dbraw/zinc/22/99/83/712229983.db2.gz ZFATXDZPEUHYBO-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC ZINC000709905414 712232268 /nfs/dbraw/zinc/23/22/68/712232268.db2.gz RILSUDHNXXLCOG-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP Cn1ccnc1[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000373107279 712284558 /nfs/dbraw/zinc/28/45/58/712284558.db2.gz RETPRQHPJMMRMI-GHMZBOCLSA-N 2 1 248.330 0.488 20 0 BCADMP CN(C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303416 /nfs/dbraw/zinc/30/34/16/712303416.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@H+](C[C@@H](O)CN1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303417 /nfs/dbraw/zinc/30/34/17/712303417.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@@H+](C[C@@H](O)CN1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303418 /nfs/dbraw/zinc/30/34/18/712303418.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 1 230.327 0.733 20 0 BCADMP Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479810 712334455 /nfs/dbraw/zinc/33/44/55/712334455.db2.gz CXERTLZIYGGAOD-SNVBAGLBSA-N 2 1 249.362 0.863 20 0 BCADMP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479810 712334458 /nfs/dbraw/zinc/33/44/58/712334458.db2.gz CXERTLZIYGGAOD-SNVBAGLBSA-N 2 1 249.362 0.863 20 0 BCADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478929 712334507 /nfs/dbraw/zinc/33/45/07/712334507.db2.gz JINAIMAJWFBJOW-QWHCGFSZSA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478927 712334764 /nfs/dbraw/zinc/33/47/64/712334764.db2.gz JINAIMAJWFBJOW-OLZOCXBDSA-N 2 1 244.379 0.833 20 0 BCADMP C[C@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000379512400 712386638 /nfs/dbraw/zinc/38/66/38/712386638.db2.gz TXXHOICYIALRSZ-SNVBAGLBSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000379711987 712392406 /nfs/dbraw/zinc/39/24/06/712392406.db2.gz FSQKEELPFZGXOB-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000379711987 712392407 /nfs/dbraw/zinc/39/24/07/712392407.db2.gz FSQKEELPFZGXOB-LBPRGKRZSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000390670002 712423476 /nfs/dbraw/zinc/42/34/76/712423476.db2.gz VDWHFLJTDQLAOD-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@H+]1CC[C@H]1CNc1ncnc(N)c1OC ZINC000712582642 712433588 /nfs/dbraw/zinc/43/35/88/712433588.db2.gz ZHNKKZGZILSBKG-QMMMGPOBSA-N 2 1 237.307 0.574 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667794 712439960 /nfs/dbraw/zinc/43/99/60/712439960.db2.gz DBQVSXHNZXIMHB-VIFPVBQESA-N 2 1 213.325 0.276 20 0 BCADMP C[N@H+]1CCN(C(=O)C[NH2+]C2CC2)CCC1(C)C ZINC000712670012 712440367 /nfs/dbraw/zinc/44/03/67/712440367.db2.gz WEZNXTQRLZPKGD-UHFFFAOYSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670106 712440533 /nfs/dbraw/zinc/44/05/33/712440533.db2.gz XWGIBTDMFVIPEY-JTQLQIEISA-N 2 1 227.352 0.666 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000712979563 712450673 /nfs/dbraw/zinc/45/06/73/712450673.db2.gz IGYXQFIVSRAWQO-MISXGVKJSA-N 2 1 249.358 0.420 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713227366 712455644 /nfs/dbraw/zinc/45/56/44/712455644.db2.gz WHERROYHSMIWCR-XZUYRWCXSA-N 2 1 237.347 0.324 20 0 BCADMP COC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000713364990 712459711 /nfs/dbraw/zinc/45/97/11/712459711.db2.gz VUQGPDBBRQAWMO-LLVKDONJSA-N 2 1 230.352 0.587 20 0 BCADMP C[N@@H+](CCCOC(F)(F)F)CCOCC[NH3+] ZINC000713425916 712459834 /nfs/dbraw/zinc/45/98/34/712459834.db2.gz GMDGSVGQCVONAY-UHFFFAOYSA-N 2 1 244.257 0.820 20 0 BCADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)C[NH3+] ZINC000714848087 712501770 /nfs/dbraw/zinc/50/17/70/712501770.db2.gz OSQDRJORONGQFM-WOPDTQHZSA-N 2 1 212.337 0.674 20 0 BCADMP C[N@@H+](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000715127071 712511550 /nfs/dbraw/zinc/51/15/50/712511550.db2.gz SPNMHQOJJNXCLT-IUCAKERBSA-N 2 1 247.289 0.037 20 0 BCADMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000715451309 712519278 /nfs/dbraw/zinc/51/92/78/712519278.db2.gz XMIGVJSNKNSYHZ-HLTSFMKQSA-N 2 1 202.248 0.793 20 0 BCADMP FC1(F)[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000715451309 712519277 /nfs/dbraw/zinc/51/92/77/712519277.db2.gz XMIGVJSNKNSYHZ-HLTSFMKQSA-N 2 1 202.248 0.793 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000818610180 712590204 /nfs/dbraw/zinc/59/02/04/712590204.db2.gz ATBVXGBRNNYROO-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC[NH2+]CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000818610180 712590205 /nfs/dbraw/zinc/59/02/05/712590205.db2.gz ATBVXGBRNNYROO-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000717640946 712662773 /nfs/dbraw/zinc/66/27/73/712662773.db2.gz JNSPOIMWWYJYRF-GHMZBOCLSA-N 2 1 212.337 0.879 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925495406 712698625 /nfs/dbraw/zinc/69/86/25/712698625.db2.gz NBTPVSCYAGJTQZ-ZYHUDNBSSA-N 2 1 223.364 0.953 20 0 BCADMP COCC(COC)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000384910211 712704786 /nfs/dbraw/zinc/70/47/86/712704786.db2.gz DEEOMFLBUPLJHR-ZJUUUORDSA-N 2 1 216.325 0.317 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000037647131 712734036 /nfs/dbraw/zinc/73/40/36/712734036.db2.gz WGNVDACAETWLEY-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717973175 712735796 /nfs/dbraw/zinc/73/57/96/712735796.db2.gz DNMWOKHXXWJMMF-VWYCJHECSA-N 2 1 225.336 0.324 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718014920 712736880 /nfs/dbraw/zinc/73/68/80/712736880.db2.gz UPNHJVGNYYZUEE-VWYCJHECSA-N 2 1 241.335 0.544 20 0 BCADMP C[C@@H]1[C@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000719477860 712808301 /nfs/dbraw/zinc/80/83/01/712808301.db2.gz YEHIJRDAXVDQPU-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H]1[C@@H](NC[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000719640687 712818816 /nfs/dbraw/zinc/81/88/16/712818816.db2.gz KYFVFYGXQDJKKD-AGIUHOORSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH2+]CCN(CCC[NH+]1CCOCC1)C(C)C ZINC000720778009 712865387 /nfs/dbraw/zinc/86/53/87/712865387.db2.gz QBAYUAPXPNFNMU-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000720890283 712874387 /nfs/dbraw/zinc/87/43/87/712874387.db2.gz LJAIVJCLPOCLAT-JHJVBQTASA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000720890283 712874388 /nfs/dbraw/zinc/87/43/88/712874388.db2.gz LJAIVJCLPOCLAT-JHJVBQTASA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000720890283 712874389 /nfs/dbraw/zinc/87/43/89/712874389.db2.gz LJAIVJCLPOCLAT-JHJVBQTASA-N 2 1 223.364 0.764 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900856 712874896 /nfs/dbraw/zinc/87/48/96/712874896.db2.gz RULDLJZECXBJEE-GHMZBOCLSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903836 712875084 /nfs/dbraw/zinc/87/50/84/712875084.db2.gz VVXRJURUSZHLFI-WOPDTQHZSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720900778 712875340 /nfs/dbraw/zinc/87/53/40/712875340.db2.gz QTKCCNNRRIXYSY-GARJFASQSA-N 2 1 225.336 0.419 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904084 712875950 /nfs/dbraw/zinc/87/59/50/712875950.db2.gz WOYQZWDYQAPBGX-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904083 712876141 /nfs/dbraw/zinc/87/61/41/712876141.db2.gz WOYQZWDYQAPBGX-RYUDHWBXSA-N 2 1 237.347 0.434 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896237 712876391 /nfs/dbraw/zinc/87/63/91/712876391.db2.gz PVSURXCYYHJAKG-AGIUHOORSA-N 2 1 223.364 0.907 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1C ZINC000720956283 712882786 /nfs/dbraw/zinc/88/27/86/712882786.db2.gz IMDQSPQNGIAMSO-BJDJZHNGSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000721040389 712887848 /nfs/dbraw/zinc/88/78/48/712887848.db2.gz RWLODIWXOYCVLB-SCVCMEIPSA-N 2 1 225.336 0.039 20 0 BCADMP Cc1cc(C)[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164394028 718829075 /nfs/dbraw/zinc/82/90/75/718829075.db2.gz YWMCYOCVFJFCPV-ZDUSSCGKSA-N 2 1 246.358 0.792 20 0 BCADMP Cc1cc(C)[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164394022 718829082 /nfs/dbraw/zinc/82/90/82/718829082.db2.gz YWMCYOCVFJFCPV-CYBMUJFWSA-N 2 1 246.358 0.792 20 0 BCADMP C[N@H+]1CCO[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001164670435 719369472 /nfs/dbraw/zinc/36/94/72/719369472.db2.gz UUTOJRJBDUTJJM-GHMZBOCLSA-N 2 1 234.303 0.183 20 0 BCADMP C[NH+](C)[C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000087837416 721895063 /nfs/dbraw/zinc/89/50/63/721895063.db2.gz SFWSTNSEFNPKTE-VIFPVBQESA-N 2 1 221.308 0.589 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649318484 398141825 /nfs/dbraw/zinc/14/18/25/398141825.db2.gz OPFBECAGFIRAIG-GDNZZTSVSA-N 2 1 237.347 0.052 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000061995907 168321645 /nfs/dbraw/zinc/32/16/45/168321645.db2.gz FSURCMKAFXWDPQ-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[N@@H+](C)C1CC1 ZINC000649319491 398142727 /nfs/dbraw/zinc/14/27/27/398142727.db2.gz BRBOYJMQWVULKA-OHBODLIOSA-N 2 1 237.347 0.051 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889455 349495144 /nfs/dbraw/zinc/49/51/44/349495144.db2.gz SJCAHVFPEPQXLA-DGCLKSJQSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1C ZINC000649333345 398150044 /nfs/dbraw/zinc/15/00/44/398150044.db2.gz NQNHGZLCUPKNKP-LVEVGFFFSA-N 2 1 237.347 0.051 20 0 BCADMP C[C@@H](CCO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000649871061 398153485 /nfs/dbraw/zinc/15/34/85/398153485.db2.gz QREAJJGYSBSKTJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000649871061 398153489 /nfs/dbraw/zinc/15/34/89/398153489.db2.gz QREAJJGYSBSKTJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000649871061 398153492 /nfs/dbraw/zinc/15/34/92/398153492.db2.gz QREAJJGYSBSKTJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](CCO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000649871061 398153495 /nfs/dbraw/zinc/15/34/95/398153495.db2.gz QREAJJGYSBSKTJ-CMPLNLGQSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](CCO)[N@@H+](C)CCCn1ccnc1 ZINC000649870316 398156722 /nfs/dbraw/zinc/15/67/22/398156722.db2.gz ZRSJWWSCXKPPSJ-LLVKDONJSA-N 2 1 211.309 0.976 20 0 BCADMP CC[C@H]([NH2+]CCOCCOC)[C@@H]1CCC[NH2+]1 ZINC000422906000 398156950 /nfs/dbraw/zinc/15/69/50/398156950.db2.gz TYCRHBXJLSQJBP-RYUDHWBXSA-N 2 1 230.352 0.770 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000422907857 398158007 /nfs/dbraw/zinc/15/80/07/398158007.db2.gz LPJAGOMVYMGPRI-AAEUAGOBSA-N 2 1 236.363 0.940 20 0 BCADMP [NH3+]Cc1noc(C[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000647160017 398173330 /nfs/dbraw/zinc/17/33/30/398173330.db2.gz ARSCBXVGQIRCHQ-HTQZYQBOSA-N 2 1 210.281 0.588 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000379964722 398176280 /nfs/dbraw/zinc/17/62/80/398176280.db2.gz HAZIPLHUQLWAIA-GXSJLCMTSA-N 2 1 208.309 0.621 20 0 BCADMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000379964731 398176451 /nfs/dbraw/zinc/17/64/51/398176451.db2.gz HAZIPLHUQLWAIA-ONGXEEELSA-N 2 1 208.309 0.621 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649343924 398160666 /nfs/dbraw/zinc/16/06/66/398160666.db2.gz FEIHAEONWCHIQG-GDNZZTSVSA-N 2 1 239.363 0.300 20 0 BCADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396740385 398167195 /nfs/dbraw/zinc/16/71/95/398167195.db2.gz OWMSCBRZKHVKIC-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000380100817 398186010 /nfs/dbraw/zinc/18/60/10/398186010.db2.gz XGRAUVCIQQINJI-OLZOCXBDSA-N 2 1 246.395 0.902 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000380112029 398187419 /nfs/dbraw/zinc/18/74/19/398187419.db2.gz KWXNJYSLNBPRHQ-VXGBXAGGSA-N 2 1 242.363 0.730 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000380112029 398187423 /nfs/dbraw/zinc/18/74/23/398187423.db2.gz KWXNJYSLNBPRHQ-VXGBXAGGSA-N 2 1 242.363 0.730 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000576230839 365531343 /nfs/dbraw/zinc/53/13/43/365531343.db2.gz PUYBNMRNVPZTRZ-DTWKUNHWSA-N 2 1 249.305 0.427 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N(C)C ZINC000576280346 365549505 /nfs/dbraw/zinc/54/95/05/365549505.db2.gz NFYKZVIHNQHGAZ-NSHDSACASA-N 2 1 215.341 0.428 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000192105901 136220952 /nfs/dbraw/zinc/22/09/52/136220952.db2.gz WANAKIFZQQNHHY-GHMZBOCLSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000576330503 365566916 /nfs/dbraw/zinc/56/69/16/365566916.db2.gz YDNFEDVEVKAGEA-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212903 /nfs/dbraw/zinc/21/29/03/398212903.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 2 1 225.380 0.870 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ccnc1 ZINC000073291340 343986106 /nfs/dbraw/zinc/98/61/06/343986106.db2.gz VMJTWLZKSSHXQW-LLVKDONJSA-N 2 1 238.335 0.730 20 0 BCADMP CO[C@H](C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104524 488173268 /nfs/dbraw/zinc/17/32/68/488173268.db2.gz QLCTZODBGXTOOJ-MWLCHTKSSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380104524 488173269 /nfs/dbraw/zinc/17/32/69/488173269.db2.gz QLCTZODBGXTOOJ-MWLCHTKSSA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380104524 488173274 /nfs/dbraw/zinc/17/32/74/488173274.db2.gz QLCTZODBGXTOOJ-MWLCHTKSSA-N 2 1 216.325 0.066 20 0 BCADMP CN(CCC[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000343497915 365600083 /nfs/dbraw/zinc/60/00/83/365600083.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP CN(CCC[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000343497915 365600088 /nfs/dbraw/zinc/60/00/88/365600088.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP CN(CCC[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000343497915 365600096 /nfs/dbraw/zinc/60/00/96/365600096.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 1 242.363 0.818 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000417449378 398223712 /nfs/dbraw/zinc/22/37/12/398223712.db2.gz XTLQNPATOMPZLK-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000132972987 398232171 /nfs/dbraw/zinc/23/21/71/398232171.db2.gz OQVMXYUGNLLGJF-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000430764342 398231241 /nfs/dbraw/zinc/23/12/41/398231241.db2.gz PPKJRIVXDSGXNJ-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630018 398235565 /nfs/dbraw/zinc/23/55/65/398235565.db2.gz KGMQEKAFIZDBLW-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252791445 136227156 /nfs/dbraw/zinc/22/71/56/136227156.db2.gz ZXHGVEZBALAGDF-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252791445 136227157 /nfs/dbraw/zinc/22/71/57/136227157.db2.gz ZXHGVEZBALAGDF-SDDRHHMPSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647993000 398244924 /nfs/dbraw/zinc/24/49/24/398244924.db2.gz ZOKTXJWPNQILFP-XQHKEYJVSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647993000 398244926 /nfs/dbraw/zinc/24/49/26/398244926.db2.gz ZOKTXJWPNQILFP-XQHKEYJVSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992998 398244986 /nfs/dbraw/zinc/24/49/86/398244986.db2.gz ZOKTXJWPNQILFP-MROQNXINSA-N 3 1 225.380 0.901 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992998 398244990 /nfs/dbraw/zinc/24/49/90/398244990.db2.gz ZOKTXJWPNQILFP-MROQNXINSA-N 3 1 225.380 0.901 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000576644438 365647908 /nfs/dbraw/zinc/64/79/08/365647908.db2.gz FUZHMGNNXHJVHF-AGIUHOORSA-N 2 1 244.379 0.440 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000576707466 365665701 /nfs/dbraw/zinc/66/57/01/365665701.db2.gz PHUUBPDOMUWFTJ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666768 /nfs/dbraw/zinc/66/67/68/365666768.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 1 244.379 0.797 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418477197 192039799 /nfs/dbraw/zinc/03/97/99/192039799.db2.gz USUQUVHYLXNUSA-LLVKDONJSA-N 2 1 240.351 0.142 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000259486195 349575078 /nfs/dbraw/zinc/57/50/78/349575078.db2.gz RUNRQWJTNNDDSE-SNVBAGLBSA-N 2 1 214.309 0.610 20 0 BCADMP CCc1nc(N[C@@H](C)[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000381803224 398273809 /nfs/dbraw/zinc/27/38/09/398273809.db2.gz UNGMABZGKHRMRG-IUCAKERBSA-N 2 1 208.309 0.917 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000335388717 136235001 /nfs/dbraw/zinc/23/50/01/136235001.db2.gz KJZGAAWFPDHKSM-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925561 398274114 /nfs/dbraw/zinc/27/41/14/398274114.db2.gz LPKCEHZERVMQOS-MNOVXSKESA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400399428 529378552 /nfs/dbraw/zinc/37/85/52/529378552.db2.gz PJURWBWCSVZRIM-VWYCJHECSA-N 2 1 200.326 0.878 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165422983 361840394 /nfs/dbraw/zinc/84/03/94/361840394.db2.gz KYOGTXDEKNMLLG-NXEZZACHSA-N 2 1 215.341 0.426 20 0 BCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000395298178 398277115 /nfs/dbraw/zinc/27/71/15/398277115.db2.gz GKJQLNWQGHLQBK-CHWSQXEVSA-N 2 1 234.347 0.651 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000605331993 342752857 /nfs/dbraw/zinc/75/28/57/342752857.db2.gz WPPWSHBSKIJTDQ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000605331993 342752858 /nfs/dbraw/zinc/75/28/58/342752858.db2.gz WPPWSHBSKIJTDQ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000605331993 342752860 /nfs/dbraw/zinc/75/28/60/342752860.db2.gz WPPWSHBSKIJTDQ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000630019138 361901115 /nfs/dbraw/zinc/90/11/15/361901115.db2.gz SZENQRNAHXDOTH-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1CNCCO1 ZINC000400007451 398290180 /nfs/dbraw/zinc/29/01/80/398290180.db2.gz SPSWSKOCLROYCW-MNOVXSKESA-N 2 1 230.377 0.802 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418513914 192045800 /nfs/dbraw/zinc/04/58/00/192045800.db2.gz ALCWRLPUPDUSOL-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000335622372 136239969 /nfs/dbraw/zinc/23/99/69/136239969.db2.gz GXLZKQLTHYHQHW-UHFFFAOYSA-N 3 1 211.353 0.670 20 0 BCADMP C[N@H+](CC1CC[NH2+]CC1)C1CCNCC1 ZINC000335622372 136239970 /nfs/dbraw/zinc/23/99/70/136239970.db2.gz GXLZKQLTHYHQHW-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCNCC1 ZINC000335622372 136239971 /nfs/dbraw/zinc/23/99/71/136239971.db2.gz GXLZKQLTHYHQHW-UHFFFAOYSA-N 2 1 211.353 0.670 20 0 BCADMP CC[NH+](CC)CCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000191895268 538993438 /nfs/dbraw/zinc/99/34/38/538993438.db2.gz FPABELPOAZCBPY-QWHCGFSZSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390354575 539021004 /nfs/dbraw/zinc/02/10/04/539021004.db2.gz QDVAVCUUVTUJPW-FRRDWIJNSA-N 2 1 226.364 0.935 20 0 BCADMP Cc1ncc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000668012166 488183707 /nfs/dbraw/zinc/18/37/07/488183707.db2.gz UMQVWOFARKCNBW-SKDRFNHKSA-N 2 1 223.320 0.931 20 0 BCADMP C[C@@H]1C[C@@H]1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000625081970 342850193 /nfs/dbraw/zinc/85/01/93/342850193.db2.gz VSCGNDLBOUHEJB-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309052912 342883355 /nfs/dbraw/zinc/88/33/55/342883355.db2.gz RZBQSQXLPQTDMP-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309052912 342883357 /nfs/dbraw/zinc/88/33/57/342883357.db2.gz RZBQSQXLPQTDMP-JTQLQIEISA-N 2 1 208.309 0.841 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309052913 342883372 /nfs/dbraw/zinc/88/33/72/342883372.db2.gz RZBQSQXLPQTDMP-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000309052913 342883373 /nfs/dbraw/zinc/88/33/73/342883373.db2.gz RZBQSQXLPQTDMP-SNVBAGLBSA-N 2 1 208.309 0.841 20 0 BCADMP CN(C)C(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000584002298 342899728 /nfs/dbraw/zinc/89/97/28/342899728.db2.gz SYNUMPRIEIPEMK-UHFFFAOYSA-N 2 1 238.335 0.373 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584002298 342899730 /nfs/dbraw/zinc/89/97/30/342899730.db2.gz SYNUMPRIEIPEMK-UHFFFAOYSA-N 2 1 238.335 0.373 20 0 BCADMP CC[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037478152 488186288 /nfs/dbraw/zinc/18/62/88/488186288.db2.gz YFVLLAIFQNCZAL-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP C[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756559 398326030 /nfs/dbraw/zinc/32/60/30/398326030.db2.gz WXLAZAZLDPAGJB-NSHDSACASA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023805 342916424 /nfs/dbraw/zinc/91/64/24/342916424.db2.gz SZPAPAYGOCOIHD-LPEHRKFASA-N 2 1 211.309 0.077 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000418583833 192053342 /nfs/dbraw/zinc/05/33/42/192053342.db2.gz ATXJBCXALGQJGT-HBNTYKKESA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249121 /nfs/dbraw/zinc/24/91/21/136249121.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249122 /nfs/dbraw/zinc/24/91/22/136249122.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249123 /nfs/dbraw/zinc/24/91/23/136249123.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249124 /nfs/dbraw/zinc/24/91/24/136249124.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 2 1 242.363 0.002 20 0 BCADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000167786520 488188027 /nfs/dbraw/zinc/18/80/27/488188027.db2.gz DIQPVAQWDDUPCS-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CC)C1CC1 ZINC000308552191 346882566 /nfs/dbraw/zinc/88/25/66/346882566.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCN(C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000308552191 346882569 /nfs/dbraw/zinc/88/25/69/346882569.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308552191 346882572 /nfs/dbraw/zinc/88/25/72/346882572.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000308552191 346882574 /nfs/dbraw/zinc/88/25/74/346882574.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C1CC1 ZINC000308552191 346882575 /nfs/dbraw/zinc/88/25/75/346882575.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C1CC1 ZINC000308552191 346882577 /nfs/dbraw/zinc/88/25/77/346882577.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 1 200.326 0.783 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351856800 136258160 /nfs/dbraw/zinc/25/81/60/136258160.db2.gz WKXDBNUEMFNMKP-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000351859153 136258523 /nfs/dbraw/zinc/25/85/23/136258523.db2.gz BOJRKXCDTFLFPJ-HOSYDEDBSA-N 2 1 237.347 0.419 20 0 BCADMP COC[C@H](C)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000308510938 259340043 /nfs/dbraw/zinc/34/00/43/259340043.db2.gz KUIAIYWSZZIUFT-SNVBAGLBSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308512112 167382494 /nfs/dbraw/zinc/38/24/94/167382494.db2.gz LJICAFWXPROJDH-MNOVXSKESA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CO)C1 ZINC000309243420 259342627 /nfs/dbraw/zinc/34/26/27/259342627.db2.gz LHDDLKFHYCTJKE-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000309243420 259342631 /nfs/dbraw/zinc/34/26/31/259342631.db2.gz LHDDLKFHYCTJKE-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000309243420 259342632 /nfs/dbraw/zinc/34/26/32/259342632.db2.gz LHDDLKFHYCTJKE-NWDGAFQWSA-N 2 1 230.352 0.003 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000310386870 259344609 /nfs/dbraw/zinc/34/46/09/259344609.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCOCC1 ZINC000310386870 259344610 /nfs/dbraw/zinc/34/46/10/259344610.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCOCC1 ZINC000310386870 259344611 /nfs/dbraw/zinc/34/46/11/259344611.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC000310386870 259344612 /nfs/dbraw/zinc/34/46/12/259344612.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 1 244.379 0.657 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000310386870 259344613 /nfs/dbraw/zinc/34/46/13/259344613.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 1 244.379 0.657 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224046731 259345005 /nfs/dbraw/zinc/34/50/05/259345005.db2.gz OQQQKSNVYKXHSN-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[NH2+]C1CC1 ZINC000235717377 343058139 /nfs/dbraw/zinc/05/81/39/343058139.db2.gz RMMZUSWDORJPAM-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH2+]C1CC1 ZINC000235717377 343058142 /nfs/dbraw/zinc/05/81/42/343058142.db2.gz RMMZUSWDORJPAM-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778925 343125728 /nfs/dbraw/zinc/12/57/28/343125728.db2.gz IMKVQKUGBBHIJA-JQWIXIFHSA-N 2 1 243.326 0.289 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000576944040 365727874 /nfs/dbraw/zinc/72/78/74/365727874.db2.gz QFPCEEPIBBXHGP-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000126466474 343170072 /nfs/dbraw/zinc/17/00/72/343170072.db2.gz YJWSOEKJMZMPQH-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCOCC1 ZINC000133615405 343185646 /nfs/dbraw/zinc/18/56/46/343185646.db2.gz NBGRMQFBHCHYAC-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634683660 343205311 /nfs/dbraw/zinc/20/53/11/343205311.db2.gz WUGILWMRRZUZIA-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634683660 343205312 /nfs/dbraw/zinc/20/53/12/343205312.db2.gz WUGILWMRRZUZIA-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000165391489 343211385 /nfs/dbraw/zinc/21/13/85/343211385.db2.gz JUDJUOCBIVYZMH-VWYCJHECSA-N 2 1 227.352 0.428 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cccn1 ZINC000133594179 343190952 /nfs/dbraw/zinc/19/09/52/343190952.db2.gz QHQYNCHCJOGMSG-MNOVXSKESA-N 2 1 208.309 0.695 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000418697238 192061436 /nfs/dbraw/zinc/06/14/36/192061436.db2.gz LPYFCIBDCWRFRC-VLEAKVRGSA-N 2 1 242.367 0.456 20 0 BCADMP Cn1nccc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000634687997 343245358 /nfs/dbraw/zinc/24/53/58/343245358.db2.gz FDCVPKBGOYSOII-LLVKDONJSA-N 2 1 224.352 0.926 20 0 BCADMP COC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000068891058 343251177 /nfs/dbraw/zinc/25/11/77/343251177.db2.gz XYFIKBTZNXMBJF-LLVKDONJSA-N 2 1 216.325 0.020 20 0 BCADMP Cn1cncc1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000121345922 343266884 /nfs/dbraw/zinc/26/68/84/343266884.db2.gz YRCHNAWUVCYEJT-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+](C)C1CC1 ZINC000069840280 343292495 /nfs/dbraw/zinc/29/24/95/343292495.db2.gz WCJPFNHLONEAKM-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613221 136295537 /nfs/dbraw/zinc/29/55/37/136295537.db2.gz TWICHOCDOZZTIA-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000037117295 343334487 /nfs/dbraw/zinc/33/44/87/343334487.db2.gz IONHPGKEFZHWQY-UHFFFAOYSA-N 2 1 247.342 0.969 20 0 BCADMP C[C@H](Cn1ccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037157186 343337493 /nfs/dbraw/zinc/33/74/93/343337493.db2.gz HLQDKCLBQXUXNU-LLVKDONJSA-N 2 1 222.336 0.955 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000335658640 136307443 /nfs/dbraw/zinc/30/74/43/136307443.db2.gz AAPKITKLKQOXCC-QWRGUYRKSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000335658640 136307444 /nfs/dbraw/zinc/30/74/44/136307444.db2.gz AAPKITKLKQOXCC-QWRGUYRKSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218121 136309814 /nfs/dbraw/zinc/30/98/14/136309814.db2.gz BYKMXAFJLMYUNQ-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000166218121 136309815 /nfs/dbraw/zinc/30/98/15/136309815.db2.gz BYKMXAFJLMYUNQ-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP CCCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166229611 136315033 /nfs/dbraw/zinc/31/50/33/136315033.db2.gz KVRWUUYWGBJKSZ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166229611 136315034 /nfs/dbraw/zinc/31/50/34/136315034.db2.gz KVRWUUYWGBJKSZ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166236349 136316298 /nfs/dbraw/zinc/31/62/98/136316298.db2.gz FQPCSAFEWYSKEE-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166236349 136316299 /nfs/dbraw/zinc/31/62/99/136316299.db2.gz FQPCSAFEWYSKEE-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@@H+](CCCO)CCC[NH+]1CCCC1 ZINC000196210217 346936223 /nfs/dbraw/zinc/93/62/23/346936223.db2.gz KSOHFHMLCPGCIZ-UHFFFAOYSA-N 2 1 200.326 0.787 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(=O)OC ZINC000310272574 343408351 /nfs/dbraw/zinc/40/83/51/343408351.db2.gz NRAYKPXMYPTKPH-QWRGUYRKSA-N 2 1 246.351 0.040 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(=O)OC ZINC000310272574 343408354 /nfs/dbraw/zinc/40/83/54/343408354.db2.gz NRAYKPXMYPTKPH-QWRGUYRKSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000310272574 343408356 /nfs/dbraw/zinc/40/83/56/343408356.db2.gz NRAYKPXMYPTKPH-QWRGUYRKSA-N 2 1 246.351 0.040 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000310272574 343408358 /nfs/dbraw/zinc/40/83/58/343408358.db2.gz NRAYKPXMYPTKPH-QWRGUYRKSA-N 2 1 246.351 0.040 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000310292751 343419461 /nfs/dbraw/zinc/41/94/61/343419461.db2.gz RVPOAMMJNNKJNS-RWMBFGLXSA-N 2 1 246.395 0.950 20 0 BCADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000310292751 343419464 /nfs/dbraw/zinc/41/94/64/343419464.db2.gz RVPOAMMJNNKJNS-RWMBFGLXSA-N 2 1 246.395 0.950 20 0 BCADMP CC(C)[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000166322474 136344622 /nfs/dbraw/zinc/34/46/22/136344622.db2.gz HVYSWSRDPVGHDG-NSHDSACASA-N 2 1 200.326 0.940 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000335683020 136329125 /nfs/dbraw/zinc/32/91/25/136329125.db2.gz PQRGKXSGFCOMDX-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000335683020 136329126 /nfs/dbraw/zinc/32/91/26/136329126.db2.gz PQRGKXSGFCOMDX-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335718450 136340311 /nfs/dbraw/zinc/34/03/11/136340311.db2.gz JTWXPUXKMXZDHF-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000082249323 343437550 /nfs/dbraw/zinc/43/75/50/343437550.db2.gz BEIUZAFDKDJMDP-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP CCCC[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000166641605 136362687 /nfs/dbraw/zinc/36/26/87/136362687.db2.gz YCYUXRQSTANHFN-JTQLQIEISA-N 2 1 245.392 0.497 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000166641605 136362688 /nfs/dbraw/zinc/36/26/88/136362688.db2.gz YCYUXRQSTANHFN-JTQLQIEISA-N 2 1 245.392 0.497 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578965 136369101 /nfs/dbraw/zinc/36/91/01/136369101.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578965 136369102 /nfs/dbraw/zinc/36/91/02/136369102.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578965 136369103 /nfs/dbraw/zinc/36/91/03/136369103.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578965 136369104 /nfs/dbraw/zinc/36/91/04/136369104.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578965 136369105 /nfs/dbraw/zinc/36/91/05/136369105.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578965 136369106 /nfs/dbraw/zinc/36/91/06/136369106.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1(O)CCC1 ZINC000351578965 136369107 /nfs/dbraw/zinc/36/91/07/136369107.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000616489212 343475059 /nfs/dbraw/zinc/47/50/59/343475059.db2.gz RTAJQCKFFCHFBT-QWRGUYRKSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000310355279 343462660 /nfs/dbraw/zinc/46/26/60/343462660.db2.gz IEFOZWVKXOVJDM-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000310355279 343462662 /nfs/dbraw/zinc/46/26/62/343462662.db2.gz IEFOZWVKXOVJDM-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310355279 343462663 /nfs/dbraw/zinc/46/26/63/343462663.db2.gz IEFOZWVKXOVJDM-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310355279 343462665 /nfs/dbraw/zinc/46/26/65/343462665.db2.gz IEFOZWVKXOVJDM-NEPJUHHUSA-N 2 1 244.379 0.392 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941974 365756251 /nfs/dbraw/zinc/75/62/51/365756251.db2.gz ZEXVHYUWKDVWPG-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CN1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000310539922 343528603 /nfs/dbraw/zinc/52/86/03/343528603.db2.gz BXQBVERGDFMJQI-GRYCIOLGSA-N 2 1 237.347 0.149 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000379948355 365760179 /nfs/dbraw/zinc/76/01/79/365760179.db2.gz ZNASVEZLQJZGTG-NEPJUHHUSA-N 2 1 246.395 0.686 20 0 BCADMP CC[C@@H]1CO[C@H](C)CN1C[C@H](O)C[N@@H+](C)CC ZINC000310564995 343537639 /nfs/dbraw/zinc/53/76/39/343537639.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000310902888 343595798 /nfs/dbraw/zinc/59/57/98/343595798.db2.gz FPHCBHWADWDBSL-GFCCVEGCSA-N 2 1 249.318 0.039 20 0 BCADMP C[NH+](C)CCc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165860 362248307 /nfs/dbraw/zinc/24/83/07/362248307.db2.gz JZEUMNRAAVZGMZ-UHFFFAOYSA-N 2 1 246.318 0.408 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000088051036 343698195 /nfs/dbraw/zinc/69/81/95/343698195.db2.gz BVZWNPWQEHTCBN-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000557633995 343715210 /nfs/dbraw/zinc/71/52/10/343715210.db2.gz QTKQBYXIDGRDLY-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC)CC1 ZINC000418738816 192065629 /nfs/dbraw/zinc/06/56/29/192065629.db2.gz XSEQKEVJGGQEDD-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178867142 346968195 /nfs/dbraw/zinc/96/81/95/346968195.db2.gz GXZMZFMCLFEAIP-GARJFASQSA-N 2 1 239.363 0.583 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261972884 349857544 /nfs/dbraw/zinc/85/75/44/349857544.db2.gz UOVRGKJYXDANQZ-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000381034809 343809568 /nfs/dbraw/zinc/80/95/68/343809568.db2.gz AEEDCWKSQCJYKS-LBPRGKRZSA-N 3 1 213.369 0.949 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000594869858 537826501 /nfs/dbraw/zinc/82/65/01/537826501.db2.gz ARCMPHYGUZWYND-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000594869858 537826510 /nfs/dbraw/zinc/82/65/10/537826510.db2.gz ARCMPHYGUZWYND-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000594869858 537826517 /nfs/dbraw/zinc/82/65/17/537826517.db2.gz ARCMPHYGUZWYND-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH2+]Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC000641175450 362253417 /nfs/dbraw/zinc/25/34/17/362253417.db2.gz SDKVJPKEVMYFCQ-UHFFFAOYSA-N 2 1 234.307 0.364 20 0 BCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CSC[NH2+]1 ZINC000570685300 323067045 /nfs/dbraw/zinc/06/70/45/323067045.db2.gz RWZQQEFOLJKXHV-VHSXEESVSA-N 2 1 243.376 0.297 20 0 BCADMP Cn1nncc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732342 344107159 /nfs/dbraw/zinc/10/71/59/344107159.db2.gz DHGIXEWKTCGHQQ-SNVBAGLBSA-N 2 1 237.351 0.683 20 0 BCADMP C[C@H]1C[NH2+]CC[C@@H]1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733747 344113767 /nfs/dbraw/zinc/11/37/67/344113767.db2.gz MUNPLJPMZNVAEF-DGAVXFQQSA-N 2 1 237.391 0.964 20 0 BCADMP CC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572778948 323068531 /nfs/dbraw/zinc/06/85/31/323068531.db2.gz ZWSNIPDZOFTJIX-GFCCVEGCSA-N 2 1 244.379 0.582 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000130509446 344143285 /nfs/dbraw/zinc/14/32/85/344143285.db2.gz LUXVWMSKEUONJL-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCOCCO)CC[N@H+]1C ZINC000129749031 344214370 /nfs/dbraw/zinc/21/43/70/344214370.db2.gz SXKWBEVMVLZQQE-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000130463893 344221955 /nfs/dbraw/zinc/22/19/55/344221955.db2.gz BHULJQABRSTKKV-WCBMZHEXSA-N 2 1 213.325 0.323 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768216 344280166 /nfs/dbraw/zinc/28/01/66/344280166.db2.gz ALVFKRYZJYNHHS-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092137591 344289373 /nfs/dbraw/zinc/28/93/73/344289373.db2.gz MRXVSVFPOYNPPK-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000133048691 344313085 /nfs/dbraw/zinc/31/30/85/344313085.db2.gz SHFKVNCYYWLTOG-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133048691 344313087 /nfs/dbraw/zinc/31/30/87/344313087.db2.gz SHFKVNCYYWLTOG-HBNTYKKESA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)CC)C[C@H]1O ZINC000400090026 344301581 /nfs/dbraw/zinc/30/15/81/344301581.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)C[C@H]1O ZINC000400090026 344301582 /nfs/dbraw/zinc/30/15/82/344301582.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@H]1O ZINC000400090026 344301584 /nfs/dbraw/zinc/30/15/84/344301584.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@H]1O ZINC000400090026 344301585 /nfs/dbraw/zinc/30/15/85/344301585.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@H]1O ZINC000400090026 344301586 /nfs/dbraw/zinc/30/15/86/344301586.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@H]1O ZINC000400090026 344301587 /nfs/dbraw/zinc/30/15/87/344301587.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CCC[NH3+])CC[N@H+]1C ZINC000132972143 344310118 /nfs/dbraw/zinc/31/01/18/344310118.db2.gz AITRGLNQLWBZBM-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP CN1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000093177425 344310167 /nfs/dbraw/zinc/31/01/67/344310167.db2.gz ZBRWDEPDHRDWNM-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600775216 344370856 /nfs/dbraw/zinc/37/08/56/344370856.db2.gz SNKOSFYUWMOQRC-VHSXEESVSA-N 2 1 228.336 0.916 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000600947419 344400931 /nfs/dbraw/zinc/40/09/31/344400931.db2.gz SVACIBAQXWMPHK-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236789161 344403015 /nfs/dbraw/zinc/40/30/15/344403015.db2.gz CUHPAMXAUSNYCF-LLVKDONJSA-N 2 1 239.363 0.572 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236826421 344406871 /nfs/dbraw/zinc/40/68/71/344406871.db2.gz ORIHFUPZTXAHHN-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000380836396 344442850 /nfs/dbraw/zinc/44/28/50/344442850.db2.gz RRJNUHUBKHMGNS-WDEREUQCSA-N 2 1 223.324 0.195 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCCCC1 ZINC000042492698 344455242 /nfs/dbraw/zinc/45/52/42/344455242.db2.gz RZHZBNNOUGMLQL-LLVKDONJSA-N 2 1 200.326 0.818 20 0 BCADMP CC(C)[N@@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493633 344520670 /nfs/dbraw/zinc/52/06/70/344520670.db2.gz HEYFYNDAQKZIQF-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@H+](CC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000043493633 344520672 /nfs/dbraw/zinc/52/06/72/344520672.db2.gz HEYFYNDAQKZIQF-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423670 362407889 /nfs/dbraw/zinc/40/78/89/362407889.db2.gz DNRIWVRFLPEXGX-GHMZBOCLSA-N 2 1 242.367 0.458 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423673 362408059 /nfs/dbraw/zinc/40/80/59/362408059.db2.gz DNRIWVRFLPEXGX-WDEREUQCSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C ZINC000237066940 344587943 /nfs/dbraw/zinc/58/79/43/344587943.db2.gz OQJPNVZWFPXKID-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(C)c1 ZINC000049553536 344653220 /nfs/dbraw/zinc/65/32/20/344653220.db2.gz KFWFDUCWIHRRSX-SNVBAGLBSA-N 2 1 210.325 0.850 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249364 344745387 /nfs/dbraw/zinc/74/53/87/344745387.db2.gz OMPKXSUSWHFIKD-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249364 344745389 /nfs/dbraw/zinc/74/53/89/344745389.db2.gz OMPKXSUSWHFIKD-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464907 347069544 /nfs/dbraw/zinc/06/95/44/347069544.db2.gz PTDCCCMWGCWDMM-PWSUYJOCSA-N 3 1 211.353 0.798 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046477 344697283 /nfs/dbraw/zinc/69/72/83/344697283.db2.gz DXXFBCYHSSCZNP-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046477 344697286 /nfs/dbraw/zinc/69/72/86/344697286.db2.gz DXXFBCYHSSCZNP-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046477 344697288 /nfs/dbraw/zinc/69/72/88/344697288.db2.gz DXXFBCYHSSCZNP-KGYLQXTDSA-N 2 1 242.363 0.144 20 0 BCADMP Cn1cncc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000291259087 537858603 /nfs/dbraw/zinc/85/86/03/537858603.db2.gz PJJJGWZFHQNTNX-GFCCVEGCSA-N 2 1 248.330 0.663 20 0 BCADMP CC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000563014474 323079915 /nfs/dbraw/zinc/07/99/15/323079915.db2.gz WTEWEVHOTQBGRR-PWSUYJOCSA-N 2 1 212.337 0.997 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000394357015 344899165 /nfs/dbraw/zinc/89/91/65/344899165.db2.gz XVZMOVKOOJPYAA-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCOCC2)C1 ZINC000153900917 344998681 /nfs/dbraw/zinc/99/86/81/344998681.db2.gz KBEBHGXFKRDLLB-GFCCVEGCSA-N 2 1 242.363 0.411 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000154418571 345034663 /nfs/dbraw/zinc/03/46/63/345034663.db2.gz SQCUOUGCCCKCKH-UHFFFAOYSA-N 2 1 229.368 0.960 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155854123 345108173 /nfs/dbraw/zinc/10/81/73/345108173.db2.gz GZJFHLCAHQDNGW-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155854123 345108176 /nfs/dbraw/zinc/10/81/76/345108176.db2.gz GZJFHLCAHQDNGW-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CC12CC(C1)C[NH2+]2 ZINC000634991702 345178371 /nfs/dbraw/zinc/17/83/71/345178371.db2.gz OVLLUDKOAXYDDJ-FMNWTUGISA-N 2 1 222.332 0.726 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC12CC(C1)C[NH2+]2 ZINC000634991702 345178373 /nfs/dbraw/zinc/17/83/73/345178373.db2.gz OVLLUDKOAXYDDJ-FMNWTUGISA-N 2 1 222.332 0.726 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000634991894 345179281 /nfs/dbraw/zinc/17/92/81/345179281.db2.gz VRHBXWGRQHSTFT-IJLUTSLNSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000634991894 345179283 /nfs/dbraw/zinc/17/92/83/345179283.db2.gz VRHBXWGRQHSTFT-IJLUTSLNSA-N 3 1 213.369 0.886 20 0 BCADMP CC[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634994823 345182494 /nfs/dbraw/zinc/18/24/94/345182494.db2.gz NUAWKMMVKMRPLM-UPOSSJBDSA-N 2 1 210.321 0.441 20 0 BCADMP CC[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634994823 345182497 /nfs/dbraw/zinc/18/24/97/345182497.db2.gz NUAWKMMVKMRPLM-UPOSSJBDSA-N 2 1 210.321 0.441 20 0 BCADMP O=C1CC[C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996907 345186531 /nfs/dbraw/zinc/18/65/31/345186531.db2.gz YRGXGTVMFIDQPX-ATJQQHLPSA-N 2 1 249.358 0.339 20 0 BCADMP O=C1CC[C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996907 345186535 /nfs/dbraw/zinc/18/65/35/345186535.db2.gz YRGXGTVMFIDQPX-ATJQQHLPSA-N 2 1 249.358 0.339 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000310483928 259382997 /nfs/dbraw/zinc/38/29/97/259382997.db2.gz DNZRNGMKVKKVCT-IJLUTSLNSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H]1CC[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)O1 ZINC000634996228 345187682 /nfs/dbraw/zinc/18/76/82/345187682.db2.gz DKGRNOYLOFZMQG-VOBJUBJWSA-N 2 1 210.321 0.896 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2)CC[N@@H+]1C ZINC000156344031 345148011 /nfs/dbraw/zinc/14/80/11/345148011.db2.gz VPIYXIUFJZTWPE-OUAUKWLOSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2)CC[N@H+]1C ZINC000156344031 345148015 /nfs/dbraw/zinc/14/80/15/345148015.db2.gz VPIYXIUFJZTWPE-OUAUKWLOSA-N 2 1 225.336 0.337 20 0 BCADMP COC[C@@](C)(CCO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993192 345188821 /nfs/dbraw/zinc/18/88/21/345188821.db2.gz MYYUVXUMALYOIY-MOENNCHZSA-N 2 1 228.336 0.116 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000635078130 345242306 /nfs/dbraw/zinc/24/23/06/345242306.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000635078130 345242307 /nfs/dbraw/zinc/24/23/07/345242307.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000635078130 345242310 /nfs/dbraw/zinc/24/23/10/345242310.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@@]1(CO)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994267 345192594 /nfs/dbraw/zinc/19/25/94/345192594.db2.gz XKZOXVMAJIYBET-CXQJBGSLSA-N 2 1 210.321 0.585 20 0 BCADMP C[C@@]1(CO)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994267 345192597 /nfs/dbraw/zinc/19/25/97/345192597.db2.gz XKZOXVMAJIYBET-CXQJBGSLSA-N 2 1 210.321 0.585 20 0 BCADMP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998385 345198052 /nfs/dbraw/zinc/19/80/52/345198052.db2.gz FAPKNNVSBPLYSG-ZYHUDNBSSA-N 2 1 222.336 0.930 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998294 345198472 /nfs/dbraw/zinc/19/84/72/345198472.db2.gz CYSGTPQRHPYLFF-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998294 345198474 /nfs/dbraw/zinc/19/84/74/345198474.db2.gz CYSGTPQRHPYLFF-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP CCn1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999821 345201167 /nfs/dbraw/zinc/20/11/67/345201167.db2.gz ZXUUCMSGIDYDQO-GHMZBOCLSA-N 2 1 222.336 0.930 20 0 BCADMP CCn1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999821 345201168 /nfs/dbraw/zinc/20/11/68/345201168.db2.gz ZXUUCMSGIDYDQO-GHMZBOCLSA-N 2 1 222.336 0.930 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012809 345215194 /nfs/dbraw/zinc/21/51/94/345215194.db2.gz VPYVGTPXYFCXAV-PWSUYJOCSA-N 3 1 225.380 0.962 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)CC(O)(CC)CC ZINC000626111836 345276771 /nfs/dbraw/zinc/27/67/71/345276771.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+](C)C[C@@H](O)CN(C)CC(O)(CC)CC ZINC000626111836 345276773 /nfs/dbraw/zinc/27/67/73/345276773.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(O)(CC)CC ZINC000626111836 345276776 /nfs/dbraw/zinc/27/67/76/345276776.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(O)(CC)CC ZINC000626111836 345276778 /nfs/dbraw/zinc/27/67/78/345276778.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(O)(CC)CC ZINC000626111836 345276780 /nfs/dbraw/zinc/27/67/80/345276780.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(O)(CC)CC ZINC000626111836 345276782 /nfs/dbraw/zinc/27/67/82/345276782.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 1 246.395 0.782 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000130603994 345280738 /nfs/dbraw/zinc/28/07/38/345280738.db2.gz MFJJBKSXMMPTFK-IQJOONFLSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CC(C)C1 ZINC000518792853 323085582 /nfs/dbraw/zinc/08/55/82/323085582.db2.gz VGLHKQMMVBUDMC-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CC(C)C1 ZINC000518792853 323085583 /nfs/dbraw/zinc/08/55/83/323085583.db2.gz VGLHKQMMVBUDMC-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527586 345345538 /nfs/dbraw/zinc/34/55/38/345345538.db2.gz KGDOZCRMSMHDNF-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000133655409 345382403 /nfs/dbraw/zinc/38/24/03/345382403.db2.gz UFIICKUXOMUXEI-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000133655409 345382404 /nfs/dbraw/zinc/38/24/04/345382404.db2.gz UFIICKUXOMUXEI-NXEZZACHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)N(C)C ZINC000381353823 345452132 /nfs/dbraw/zinc/45/21/32/345452132.db2.gz CLMOQOKUPDTURS-GMTAPVOTSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000635508655 345404326 /nfs/dbraw/zinc/40/43/26/345404326.db2.gz XDYOVHVWKUALPO-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000635506582 345406075 /nfs/dbraw/zinc/40/60/75/345406075.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000635506582 345406076 /nfs/dbraw/zinc/40/60/76/345406076.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000635506582 345406079 /nfs/dbraw/zinc/40/60/79/345406079.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000134886549 345425345 /nfs/dbraw/zinc/42/53/45/345425345.db2.gz AZMXCPCVLPLEJQ-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP COCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000159593267 345444901 /nfs/dbraw/zinc/44/49/01/345444901.db2.gz HWIJTXRMNMKRIJ-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP COCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000159593267 345444906 /nfs/dbraw/zinc/44/49/06/345444906.db2.gz HWIJTXRMNMKRIJ-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342723855 534996896 /nfs/dbraw/zinc/99/68/96/534996896.db2.gz UGWMMTYFOXNVQA-SNVBAGLBSA-N 2 1 213.325 0.052 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000178618532 534998549 /nfs/dbraw/zinc/99/85/49/534998549.db2.gz DSRBCHQOUNTYKS-VIFPVBQESA-N 2 1 201.314 0.180 20 0 BCADMP Cc1[nH+]ccn1-c1cncc(NCC[NH+](C)C)n1 ZINC000090998401 345579325 /nfs/dbraw/zinc/57/93/25/345579325.db2.gz AKICMVIABWAFJF-UHFFFAOYSA-N 2 1 246.318 0.944 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068891877 349930968 /nfs/dbraw/zinc/93/09/68/349930968.db2.gz ZSVVJKNOVIULRY-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068891877 349930971 /nfs/dbraw/zinc/93/09/71/349930971.db2.gz ZSVVJKNOVIULRY-GRYCIOLGSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068891878 349930990 /nfs/dbraw/zinc/93/09/90/349930990.db2.gz ZSVVJKNOVIULRY-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068891878 349930992 /nfs/dbraw/zinc/93/09/92/349930992.db2.gz ZSVVJKNOVIULRY-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CO)C[C@H]1C ZINC000626121736 345518043 /nfs/dbraw/zinc/51/80/43/345518043.db2.gz SEJIBRGVXXPONE-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121736 345518050 /nfs/dbraw/zinc/51/80/50/345518050.db2.gz SEJIBRGVXXPONE-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121736 345518051 /nfs/dbraw/zinc/51/80/51/345518051.db2.gz SEJIBRGVXXPONE-JHJVBQTASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645668 /nfs/dbraw/zinc/64/56/68/345645668.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645669 /nfs/dbraw/zinc/64/56/69/345645669.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645672 /nfs/dbraw/zinc/64/56/72/345645672.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645674 /nfs/dbraw/zinc/64/56/74/345645674.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 2 1 242.363 0.144 20 0 BCADMP CCCCNC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000206869339 345734026 /nfs/dbraw/zinc/73/40/26/345734026.db2.gz UYOHLQUJNRVORM-UHFFFAOYSA-N 2 1 227.352 0.588 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000206869339 345734028 /nfs/dbraw/zinc/73/40/28/345734028.db2.gz UYOHLQUJNRVORM-UHFFFAOYSA-N 2 1 227.352 0.588 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000236080852 537910081 /nfs/dbraw/zinc/91/00/81/537910081.db2.gz NQIQYZHRYONNRM-LBPRGKRZSA-N 2 1 222.336 0.633 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635601381 345887809 /nfs/dbraw/zinc/88/78/09/345887809.db2.gz ATOXWWMCQZGJID-QJPTWQEYSA-N 2 1 241.379 0.735 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635602283 345887888 /nfs/dbraw/zinc/88/78/88/345887888.db2.gz GYZDJBLWVRFVIG-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000635665093 345967327 /nfs/dbraw/zinc/96/73/27/345967327.db2.gz UZLRFSMLJGRFLJ-AXFHLTTASA-N 2 1 239.363 0.678 20 0 BCADMP C[NH+](C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635745484 346046639 /nfs/dbraw/zinc/04/66/39/346046639.db2.gz WDKMKCSXBVVYFF-NSHDSACASA-N 2 1 225.336 0.243 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCn3cncc3C2)C1 ZINC000635945245 346118871 /nfs/dbraw/zinc/11/88/71/346118871.db2.gz OZNJRIZKSMSKEN-LLVKDONJSA-N 2 1 248.330 0.567 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000636028900 346164989 /nfs/dbraw/zinc/16/49/89/346164989.db2.gz GZJGMIFGCRCWCE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636028900 346164992 /nfs/dbraw/zinc/16/49/92/346164992.db2.gz GZJGMIFGCRCWCE-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000636034046 346170666 /nfs/dbraw/zinc/17/06/66/346170666.db2.gz GDCLKEDGJNNFJH-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)COC)[C@@H](C)C1 ZINC000531711376 323111905 /nfs/dbraw/zinc/11/19/05/323111905.db2.gz VPRHVFXNIMMSFP-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H](C[NH2+]Cc1ccncc1N)C[NH+](C)C ZINC000641756890 362682443 /nfs/dbraw/zinc/68/24/43/362682443.db2.gz QBGLKPXTHSXOPC-SNVBAGLBSA-N 2 1 222.336 0.951 20 0 BCADMP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000636063800 346308119 /nfs/dbraw/zinc/30/81/19/346308119.db2.gz RPJRSNXCAMUFIS-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626541 349951070 /nfs/dbraw/zinc/95/10/70/349951070.db2.gz DTXJQIBRVINGJJ-JTQLQIEISA-N 2 1 213.325 0.135 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000069733998 349956345 /nfs/dbraw/zinc/95/63/45/349956345.db2.gz KSXVXISEDOBXDR-LLVKDONJSA-N 2 1 227.352 0.573 20 0 BCADMP CCN(C(=O)CN(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929148 346379715 /nfs/dbraw/zinc/37/97/15/346379715.db2.gz CESFFBJTPGDDBU-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929148 346379721 /nfs/dbraw/zinc/37/97/21/346379721.db2.gz CESFFBJTPGDDBU-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP Cc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000042435761 179067675 /nfs/dbraw/zinc/06/76/75/179067675.db2.gz JXSBJTFXGIADQB-LBPRGKRZSA-N 2 1 208.305 0.746 20 0 BCADMP Cn1c[nH+]cc1CCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000641797984 362737901 /nfs/dbraw/zinc/73/79/01/362737901.db2.gz BJDSWKWMVFFOND-AAEUAGOBSA-N 2 1 234.347 0.646 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000070074107 349965148 /nfs/dbraw/zinc/96/51/48/349965148.db2.gz KOXDFQVZJCEPSI-GFCCVEGCSA-N 2 1 239.363 0.670 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641797771 362744625 /nfs/dbraw/zinc/74/46/25/362744625.db2.gz GHNPVKLTOVFXDL-ZDUSSCGKSA-N 2 1 234.347 0.648 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641799501 362748992 /nfs/dbraw/zinc/74/89/92/362748992.db2.gz QBWQOFOYNNVLOU-WCQYABFASA-N 2 1 234.347 0.646 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CN(CCc2c[nH+]cn2C)CCO1 ZINC000641797035 362741587 /nfs/dbraw/zinc/74/15/87/362741587.db2.gz QDSLLIZIPCNPBM-ZYHUDNBSSA-N 2 1 238.335 0.011 20 0 BCADMP CCCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803869 362761731 /nfs/dbraw/zinc/76/17/31/362761731.db2.gz FKRHCSFGMIGSOS-ZJUUUORDSA-N 2 1 227.352 0.618 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CCc1c[nH+]cn1C ZINC000641800656 362751451 /nfs/dbraw/zinc/75/14/51/362751451.db2.gz CKFUNDOMQQIQGK-NXEZZACHSA-N 2 1 208.309 0.384 20 0 BCADMP CC1(C)[C@H]([NH2+]CCCCS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000641800756 362753453 /nfs/dbraw/zinc/75/34/53/362753453.db2.gz FHXTWMVTSAEHGR-VHSXEESVSA-N 2 1 248.392 0.527 20 0 BCADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1N ZINC000641801011 362753759 /nfs/dbraw/zinc/75/37/59/362753759.db2.gz LDGRFPJEWVZTTC-UWVGGRQHSA-N 2 1 220.320 0.879 20 0 BCADMP C[C@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000309530546 347095423 /nfs/dbraw/zinc/09/54/23/347095423.db2.gz VVAKXVCLNGFZJY-GFCCVEGCSA-N 2 1 212.337 0.833 20 0 BCADMP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801448 362755034 /nfs/dbraw/zinc/75/50/34/362755034.db2.gz QYNKEIRVIWRHBM-QWRGUYRKSA-N 2 1 237.351 0.822 20 0 BCADMP CC[C@@H]([NH2+]C[C@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000574981268 346489468 /nfs/dbraw/zinc/48/94/68/346489468.db2.gz MIBYMSMHNGJTGT-WOPDTQHZSA-N 2 1 230.352 0.504 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801822 362756397 /nfs/dbraw/zinc/75/63/97/362756397.db2.gz FNGKGORFVINBLQ-DCAQKATOSA-N 2 1 241.379 0.957 20 0 BCADMP CC(C)(C)CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801590 362756910 /nfs/dbraw/zinc/75/69/10/362756910.db2.gz SWGITUYYPXLDRS-NXEZZACHSA-N 2 1 241.379 0.864 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000641802364 362759401 /nfs/dbraw/zinc/75/94/01/362759401.db2.gz JPBZTGICUWECEZ-GHMZBOCLSA-N 2 1 239.363 0.618 20 0 BCADMP C[C@@H]1CC[C@H](CN)[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805705 362760236 /nfs/dbraw/zinc/76/02/36/362760236.db2.gz GMLDLTWXYNVPCA-IJLUTSLNSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805705 362760242 /nfs/dbraw/zinc/76/02/42/362760242.db2.gz GMLDLTWXYNVPCA-IJLUTSLNSA-N 2 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805705 362760246 /nfs/dbraw/zinc/76/02/46/362760246.db2.gz GMLDLTWXYNVPCA-IJLUTSLNSA-N 3 1 229.368 0.409 20 0 BCADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000641805705 362760252 /nfs/dbraw/zinc/76/02/52/362760252.db2.gz GMLDLTWXYNVPCA-IJLUTSLNSA-N 3 1 229.368 0.409 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807481 362766331 /nfs/dbraw/zinc/76/63/31/362766331.db2.gz URYWQWJQTLMZFA-HBNTYKKESA-N 2 1 241.379 0.863 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000300419968 346672924 /nfs/dbraw/zinc/67/29/24/346672924.db2.gz BIHCHFYVRFRIFT-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000167430127 346709212 /nfs/dbraw/zinc/70/92/12/346709212.db2.gz PMGCEXGLUYZSSI-RYUDHWBXSA-N 2 1 214.353 0.933 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000179068835 346735394 /nfs/dbraw/zinc/73/53/94/346735394.db2.gz UNNJJFVGSSRGLQ-NSHDSACASA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000577187286 365867022 /nfs/dbraw/zinc/86/70/22/365867022.db2.gz UPQOVPKAMYXPBM-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000577177663 365860258 /nfs/dbraw/zinc/86/02/58/365860258.db2.gz CXGXITXDEGNIOO-RKDXNWHRSA-N 2 1 249.305 0.440 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1CO ZINC000622003595 370653939 /nfs/dbraw/zinc/65/39/39/370653939.db2.gz BZPDBNPLRXYQQT-ZJUUUORDSA-N 2 1 200.326 0.674 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063285 347157500 /nfs/dbraw/zinc/15/75/00/347157500.db2.gz WKTOBCSUMVWJBX-FRRDWIJNSA-N 2 1 241.379 0.376 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000582063284 347157591 /nfs/dbraw/zinc/15/75/91/347157591.db2.gz WKTOBCSUMVWJBX-AGIUHOORSA-N 2 1 241.379 0.376 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000582063196 347157602 /nfs/dbraw/zinc/15/76/02/347157602.db2.gz UKUGXWZATKLUIH-DGCLKSJQSA-N 2 1 242.363 0.050 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000582063196 347157604 /nfs/dbraw/zinc/15/76/04/347157604.db2.gz UKUGXWZATKLUIH-DGCLKSJQSA-N 2 1 242.363 0.050 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328745 347166041 /nfs/dbraw/zinc/16/60/41/347166041.db2.gz CXHHIZMXWNIKEY-CYBMUJFWSA-N 3 1 241.379 0.426 20 0 BCADMP NC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328745 347166043 /nfs/dbraw/zinc/16/60/43/347166043.db2.gz CXHHIZMXWNIKEY-CYBMUJFWSA-N 2 1 241.379 0.426 20 0 BCADMP NC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328745 347166045 /nfs/dbraw/zinc/16/60/45/347166045.db2.gz CXHHIZMXWNIKEY-CYBMUJFWSA-N 2 1 241.379 0.426 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1(CO)CC1 ZINC000353021010 187371923 /nfs/dbraw/zinc/37/19/23/187371923.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1(CO)CC1 ZINC000353021010 187371925 /nfs/dbraw/zinc/37/19/25/187371925.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1(CO)CC1 ZINC000353021010 187371926 /nfs/dbraw/zinc/37/19/26/187371926.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 2 1 212.337 0.927 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330488 347220630 /nfs/dbraw/zinc/22/06/30/347220630.db2.gz TZQNWHPVFCPCEO-NXEZZACHSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330488 347220632 /nfs/dbraw/zinc/22/06/32/347220632.db2.gz TZQNWHPVFCPCEO-NXEZZACHSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330490 347220786 /nfs/dbraw/zinc/22/07/86/347220786.db2.gz TZQNWHPVFCPCEO-VHSXEESVSA-N 2 1 214.309 0.751 20 0 BCADMP COC(=O)CCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330490 347220790 /nfs/dbraw/zinc/22/07/90/347220790.db2.gz TZQNWHPVFCPCEO-VHSXEESVSA-N 2 1 214.309 0.751 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310073694 347226164 /nfs/dbraw/zinc/22/61/64/347226164.db2.gz FKHXWSGSWPWIPG-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000252815598 323141757 /nfs/dbraw/zinc/14/17/57/323141757.db2.gz JVIYPXAKYUGWNS-NXEZZACHSA-N 2 1 227.352 0.428 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000571337059 323141839 /nfs/dbraw/zinc/14/18/39/323141839.db2.gz SIXOYZDNNSBSAX-GHMZBOCLSA-N 2 1 216.325 0.068 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310307301 347261418 /nfs/dbraw/zinc/26/14/18/347261418.db2.gz SAFWZIWLTPRPCN-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019438563 347323964 /nfs/dbraw/zinc/32/39/64/347323964.db2.gz SFAPKWORBPQQGO-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCC[NH2+]1 ZINC000333337836 537989597 /nfs/dbraw/zinc/98/95/97/537989597.db2.gz XKPBWOKEEGXTJU-ADEWGFFLSA-N 2 1 234.347 0.997 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433313 /nfs/dbraw/zinc/43/33/13/347433313.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433316 /nfs/dbraw/zinc/43/33/16/347433316.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433319 /nfs/dbraw/zinc/43/33/19/347433319.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433323 /nfs/dbraw/zinc/43/33/23/347433323.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433325 /nfs/dbraw/zinc/43/33/25/347433325.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630530 347433330 /nfs/dbraw/zinc/43/33/30/347433330.db2.gz YEOCPPIBCNYRGN-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215821 365885900 /nfs/dbraw/zinc/88/59/00/365885900.db2.gz TYYUDSUDRRLUOP-AXFHLTTASA-N 2 1 225.336 0.147 20 0 BCADMP CC(C)C[C@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000357088624 187376867 /nfs/dbraw/zinc/37/68/67/187376867.db2.gz SYXJEFQKWZGFFY-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP Cc1cccc(NCCNC(=O)[C@@H](C)C[NH3+])[nH+]1 ZINC000357240666 187378426 /nfs/dbraw/zinc/37/84/26/187378426.db2.gz JUGSROHEFVDMSU-VIFPVBQESA-N 2 1 236.319 0.513 20 0 BCADMP COC(=O)CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577230395 365892423 /nfs/dbraw/zinc/89/24/23/365892423.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 1 226.320 0.718 20 0 BCADMP COC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000577230395 365892429 /nfs/dbraw/zinc/89/24/29/365892429.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 1 226.320 0.718 20 0 BCADMP COC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000577230395 365892432 /nfs/dbraw/zinc/89/24/32/365892432.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 1 226.320 0.718 20 0 BCADMP CCN(CCO)CC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000577231325 365893246 /nfs/dbraw/zinc/89/32/46/365893246.db2.gz HCEVVLMPXHCFSD-UHFFFAOYSA-N 2 1 240.351 0.430 20 0 BCADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591430374 347655406 /nfs/dbraw/zinc/65/54/06/347655406.db2.gz XJQUQMZZFIHZHR-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343472271 133686117 /nfs/dbraw/zinc/68/61/17/133686117.db2.gz GGKKWPDFZFOQAH-BDAKNGLRSA-N 2 1 249.305 0.345 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380121048 365901075 /nfs/dbraw/zinc/90/10/75/365901075.db2.gz UTMUIQCGQQHXQK-IJLUTSLNSA-N 2 1 212.337 0.810 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380121050 365901540 /nfs/dbraw/zinc/90/15/40/365901540.db2.gz UTMUIQCGQQHXQK-UTUOFQBUSA-N 2 1 212.337 0.810 20 0 BCADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726586 347692462 /nfs/dbraw/zinc/69/24/62/347692462.db2.gz QLKCCKXFEYXOOX-SDDRHHMPSA-N 2 1 244.404 0.927 20 0 BCADMP CC(C)(C[NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262124617 535064560 /nfs/dbraw/zinc/06/45/60/535064560.db2.gz CLIZIJOHCBIEOE-UHFFFAOYSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)C1CC1 ZINC000591456797 347665185 /nfs/dbraw/zinc/66/51/85/347665185.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)C1CC1 ZINC000591456797 347665187 /nfs/dbraw/zinc/66/51/87/347665187.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)C1CC1 ZINC000591456797 347665190 /nfs/dbraw/zinc/66/51/90/347665190.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 2 1 239.363 0.537 20 0 BCADMP [NH3+]CCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000070201962 349976366 /nfs/dbraw/zinc/97/63/66/349976366.db2.gz ZTVAPWMGPLXSBU-NEPJUHHUSA-N 2 1 239.363 0.858 20 0 BCADMP CC(C)(C[NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335341595 535065272 /nfs/dbraw/zinc/06/52/72/535065272.db2.gz MXTSPAXZAOCBCL-LLVKDONJSA-N 2 1 231.315 0.131 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401756213 347760076 /nfs/dbraw/zinc/76/00/76/347760076.db2.gz RGNZMCQOHKKTQS-VHSXEESVSA-N 2 1 228.336 0.773 20 0 BCADMP COC(=O)C(C)(C)C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401756210 347760340 /nfs/dbraw/zinc/76/03/40/347760340.db2.gz RGNZMCQOHKKTQS-NXEZZACHSA-N 2 1 228.336 0.773 20 0 BCADMP COC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592494237 347787752 /nfs/dbraw/zinc/78/77/52/347787752.db2.gz NMFBKCYIAFEBGK-JTQLQIEISA-N 2 1 226.320 0.481 20 0 BCADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592494270 347787926 /nfs/dbraw/zinc/78/79/26/347787926.db2.gz OJHKUJANJNIRHM-NEPJUHHUSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CC1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000593057509 347847923 /nfs/dbraw/zinc/84/79/23/347847923.db2.gz UEFRVNBIVUTRRA-UHFFFAOYSA-N 2 1 237.303 0.648 20 0 BCADMP CCN1CCC([N@@H+](C)CCOCCO)CC1 ZINC000042681173 347902493 /nfs/dbraw/zinc/90/24/93/347902493.db2.gz RPITYCOUDCWTIJ-UHFFFAOYSA-N 2 1 230.352 0.411 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCOCCO)CC1 ZINC000042681173 347902496 /nfs/dbraw/zinc/90/24/96/347902496.db2.gz RPITYCOUDCWTIJ-UHFFFAOYSA-N 2 1 230.352 0.411 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000362769639 187382916 /nfs/dbraw/zinc/38/29/16/187382916.db2.gz NCCKYKRGZWIMEP-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362769639 187382917 /nfs/dbraw/zinc/38/29/17/187382917.db2.gz NCCKYKRGZWIMEP-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362769639 187382918 /nfs/dbraw/zinc/38/29/18/187382918.db2.gz NCCKYKRGZWIMEP-NWDGAFQWSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000577392123 365944323 /nfs/dbraw/zinc/94/43/23/365944323.db2.gz OQOPVWAUIDSSIC-ZYHUDNBSSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH+](CCSC)C[C@@H](O)C[N@@H+](C)CC ZINC000594016469 347990399 /nfs/dbraw/zinc/99/03/99/347990399.db2.gz XVKDBSUVMMKEIP-NSHDSACASA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](CCSC)C[C@@H](O)C[N@H+](C)CC ZINC000594016469 347990402 /nfs/dbraw/zinc/99/04/02/347990402.db2.gz XVKDBSUVMMKEIP-NSHDSACASA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCSC ZINC000594016469 347990404 /nfs/dbraw/zinc/99/04/04/347990404.db2.gz XVKDBSUVMMKEIP-NSHDSACASA-N 2 1 234.409 0.984 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCSC ZINC000594016469 347990407 /nfs/dbraw/zinc/99/04/07/347990407.db2.gz XVKDBSUVMMKEIP-NSHDSACASA-N 2 1 234.409 0.984 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)C ZINC000308478284 323174970 /nfs/dbraw/zinc/17/49/70/323174970.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 2 1 202.342 0.887 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)C ZINC000308478284 323174971 /nfs/dbraw/zinc/17/49/71/323174971.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 2 1 202.342 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)C ZINC000308478284 323174972 /nfs/dbraw/zinc/17/49/72/323174972.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 2 1 202.342 0.887 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC000308478284 323174973 /nfs/dbraw/zinc/17/49/73/323174973.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 2 1 202.342 0.887 20 0 BCADMP CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000594739303 348110326 /nfs/dbraw/zinc/11/03/26/348110326.db2.gz UINSNXBVYQERJP-MNOVXSKESA-N 2 1 237.347 0.420 20 0 BCADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000594917902 348153442 /nfs/dbraw/zinc/15/34/42/348153442.db2.gz LHVOQMHBECPMEQ-YUSALJHKSA-N 2 1 240.347 0.868 20 0 BCADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000594917897 348153528 /nfs/dbraw/zinc/15/35/28/348153528.db2.gz LHVOQMHBECPMEQ-ADEWGFFLSA-N 2 1 240.347 0.868 20 0 BCADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000669382309 537999840 /nfs/dbraw/zinc/99/98/40/537999840.db2.gz JTNDTOKMISEURP-NWDGAFQWSA-N 2 1 226.320 0.087 20 0 BCADMP C=Cn1cc(CNC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000234345407 187391239 /nfs/dbraw/zinc/39/12/39/187391239.db2.gz RQNDCWQBQKNHPK-ZDUSSCGKSA-N 2 1 249.362 0.319 20 0 BCADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCOCC1 ZINC000669382306 538000661 /nfs/dbraw/zinc/00/06/61/538000661.db2.gz JTNDTOKMISEURP-NEPJUHHUSA-N 2 1 226.320 0.087 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC[NH3+])C1 ZINC000595904227 348395112 /nfs/dbraw/zinc/39/51/12/348395112.db2.gz BAHJFSGIXSEUAT-DTORHVGOSA-N 2 1 200.282 0.219 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1 ZINC000595904227 348395117 /nfs/dbraw/zinc/39/51/17/348395117.db2.gz BAHJFSGIXSEUAT-DTORHVGOSA-N 2 1 200.282 0.219 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000595905653 348396297 /nfs/dbraw/zinc/39/62/97/348396297.db2.gz WRGZHJIDWXJOTD-QJPTWQEYSA-N 2 1 240.347 0.727 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1C ZINC000595904274 348396499 /nfs/dbraw/zinc/39/64/99/348396499.db2.gz BYHUYNUJYHAUAI-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP COC(=O)[C@](C)(CCF)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000595908408 348397979 /nfs/dbraw/zinc/39/79/79/348397979.db2.gz HYQYCERIHVMKCR-PWSUYJOCSA-N 2 1 246.326 0.867 20 0 BCADMP CN(C)C(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126801691 490172949 /nfs/dbraw/zinc/17/29/49/490172949.db2.gz MFOOIMUJPCPMGX-JTQLQIEISA-N 2 1 213.325 0.134 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126801691 490172953 /nfs/dbraw/zinc/17/29/53/490172953.db2.gz MFOOIMUJPCPMGX-JTQLQIEISA-N 2 1 213.325 0.134 20 0 BCADMP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000597242479 348686826 /nfs/dbraw/zinc/68/68/26/348686826.db2.gz MPFQINZTIQEHDI-HOMQSWHASA-N 2 1 226.320 0.622 20 0 BCADMP CC[NH2+]CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420166991 192166813 /nfs/dbraw/zinc/16/68/13/192166813.db2.gz QVUUSBASGQIUPG-UHFFFAOYSA-N 2 1 246.318 0.992 20 0 BCADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812260 490191118 /nfs/dbraw/zinc/19/11/18/490191118.db2.gz CNLNLCKPYDOTJH-HBIQZDMRSA-N 2 1 212.337 0.959 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920372 349093821 /nfs/dbraw/zinc/09/38/21/349093821.db2.gz JHTPKFYUIGVNHV-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000078743783 490224027 /nfs/dbraw/zinc/22/40/27/490224027.db2.gz YUAWTYUMNQRPBP-NWDGAFQWSA-N 2 1 241.379 0.737 20 0 BCADMP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)O[C@H]1CCCCO1 ZINC000250851073 538027651 /nfs/dbraw/zinc/02/76/51/538027651.db2.gz OHMUXVJCHXHCEI-AVGNSLFASA-N 2 1 240.347 0.681 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000252614749 349207010 /nfs/dbraw/zinc/20/70/10/349207010.db2.gz YKLFXWJVHLNYSK-JBLDHEPKSA-N 2 1 237.347 0.337 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000655141028 490257567 /nfs/dbraw/zinc/25/75/67/490257567.db2.gz JLTHIZLQTWYMGP-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000218361093 350090209 /nfs/dbraw/zinc/09/02/09/350090209.db2.gz DZMIJOSCNOMNSX-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000071201036 350092020 /nfs/dbraw/zinc/09/20/20/350092020.db2.gz ZUFMTYMJDUGYAX-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCC[NH2+]1 ZINC000422712463 192439018 /nfs/dbraw/zinc/43/90/18/192439018.db2.gz OFWPOYOYJJVPQS-UTUOFQBUSA-N 2 1 228.336 0.522 20 0 BCADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000094762661 362950091 /nfs/dbraw/zinc/95/00/91/362950091.db2.gz SIHUSHSMIQZRIR-JTQLQIEISA-N 2 1 249.314 0.649 20 0 BCADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000094762661 362950097 /nfs/dbraw/zinc/95/00/97/362950097.db2.gz SIHUSHSMIQZRIR-JTQLQIEISA-N 2 1 249.314 0.649 20 0 BCADMP C[NH2+]C1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000304358376 350154942 /nfs/dbraw/zinc/15/49/42/350154942.db2.gz HQYYNKYJWOQCKG-UHFFFAOYSA-N 2 1 222.336 0.875 20 0 BCADMP Cc1cnn(CC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000304360471 350155762 /nfs/dbraw/zinc/15/57/62/350155762.db2.gz HYPDRIYHAMXQIE-GFCCVEGCSA-N 2 1 222.336 0.862 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430406 350156982 /nfs/dbraw/zinc/15/69/82/350156982.db2.gz SQHXTHHTMCZOFX-VXGBXAGGSA-N 2 1 222.336 0.861 20 0 BCADMP C[C@@H](O)C[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313866136 350165910 /nfs/dbraw/zinc/16/59/10/350165910.db2.gz KLPRBXKHSDGUCD-LLVKDONJSA-N 2 1 241.335 0.028 20 0 BCADMP C[C@@H](O)C[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313866136 350165913 /nfs/dbraw/zinc/16/59/13/350165913.db2.gz KLPRBXKHSDGUCD-LLVKDONJSA-N 2 1 241.335 0.028 20 0 BCADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000427136093 191054576 /nfs/dbraw/zinc/05/45/76/191054576.db2.gz MAWKECCMJLGRIZ-SCZZXKLOSA-N 2 1 249.305 0.604 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C1([NH3+])CC1 ZINC000353769437 180234609 /nfs/dbraw/zinc/23/46/09/180234609.db2.gz RFIWZBPLIJRWKG-UHFFFAOYSA-N 2 1 236.319 0.531 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCNC1=O ZINC000179304794 180235254 /nfs/dbraw/zinc/23/52/54/180235254.db2.gz BFIUUSKLLUTMFD-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCNC1=O ZINC000179304794 180235256 /nfs/dbraw/zinc/23/52/56/180235256.db2.gz BFIUUSKLLUTMFD-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H](C)C[NH3+] ZINC000285834907 180235549 /nfs/dbraw/zinc/23/55/49/180235549.db2.gz VRLARPJOPJHOAP-SNVBAGLBSA-N 2 1 238.335 0.683 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](CCO)CC1CC1 ZINC000336709936 180250157 /nfs/dbraw/zinc/25/01/57/180250157.db2.gz YETAORWOPZIIDE-UHFFFAOYSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CC1CC1 ZINC000336709936 180250158 /nfs/dbraw/zinc/25/01/58/180250158.db2.gz YETAORWOPZIIDE-UHFFFAOYSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261577299 180259753 /nfs/dbraw/zinc/25/97/53/180259753.db2.gz KYCROGUKZXZKPG-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000261590011 180257894 /nfs/dbraw/zinc/25/78/94/180257894.db2.gz UHRIAZOOFNSLBO-JTQLQIEISA-N 2 1 224.308 0.291 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261544969 180258497 /nfs/dbraw/zinc/25/84/97/180258497.db2.gz FKYTXDAZFDJBKS-WDEREUQCSA-N 2 1 236.319 0.435 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000310440501 180258574 /nfs/dbraw/zinc/25/85/74/180258574.db2.gz WFKPNZYSWDNZDI-NSHDSACASA-N 2 1 238.335 0.539 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C(C)(C)[NH3+] ZINC000261582329 180243286 /nfs/dbraw/zinc/24/32/86/180243286.db2.gz OESDWQOTKBYBFW-UHFFFAOYSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000277098058 180245569 /nfs/dbraw/zinc/24/55/69/180245569.db2.gz SSKYANGVBNCJME-VHSXEESVSA-N 2 1 238.335 0.681 20 0 BCADMP CC[N@H+](CC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000344737529 538085256 /nfs/dbraw/zinc/08/52/56/538085256.db2.gz NRCMXUYYWHXVBC-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CC[N@@H+](CC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000344737529 538085262 /nfs/dbraw/zinc/08/52/62/538085262.db2.gz NRCMXUYYWHXVBC-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](C)C[NH3+] ZINC000285789891 180264404 /nfs/dbraw/zinc/26/44/04/180264404.db2.gz ORXIHYKBSOIWJV-UWVGGRQHSA-N 2 1 238.335 0.539 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(C)(C)[NH3+] ZINC000237375888 180264519 /nfs/dbraw/zinc/26/45/19/180264519.db2.gz RZPSLPCMFRTBPW-SECBINFHSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289350174 180266488 /nfs/dbraw/zinc/26/64/88/180266488.db2.gz KUZBGPSEIAPBRA-NSHDSACASA-N 2 1 209.293 0.647 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289350174 180266491 /nfs/dbraw/zinc/26/64/91/180266491.db2.gz KUZBGPSEIAPBRA-NSHDSACASA-N 2 1 209.293 0.647 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[NH3+] ZINC000178718310 180267299 /nfs/dbraw/zinc/26/72/99/180267299.db2.gz IMMOGQHRHRPDRN-VIFPVBQESA-N 2 1 224.308 0.293 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000606346310 350315642 /nfs/dbraw/zinc/31/56/42/350315642.db2.gz UGAVXTXXKJTSSF-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606371684 350318743 /nfs/dbraw/zinc/31/87/43/350318743.db2.gz PHQXCNNPIPQJRZ-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CN1CCCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000606370327 350318827 /nfs/dbraw/zinc/31/88/27/350318827.db2.gz RZOMHIRSUJFFKU-VIFPVBQESA-N 2 1 222.292 0.510 20 0 BCADMP C[NH+](C)CCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000606371230 350319065 /nfs/dbraw/zinc/31/90/65/350319065.db2.gz BPRRITVDAPBXDN-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245184 180337610 /nfs/dbraw/zinc/33/76/10/180337610.db2.gz SFFFQHFYCOHLLS-NSHDSACASA-N 2 1 222.336 0.818 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCS1)C1CC1 ZINC000381023652 350497589 /nfs/dbraw/zinc/49/75/89/350497589.db2.gz XDCYDVQXFGSKQA-VXGBXAGGSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCS1)C1CC1 ZINC000381023652 350497591 /nfs/dbraw/zinc/49/75/91/350497591.db2.gz XDCYDVQXFGSKQA-VXGBXAGGSA-N 2 1 244.404 0.927 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCCC1 ZINC000623544713 362963497 /nfs/dbraw/zinc/96/34/97/362963497.db2.gz HGLRFSUHGBALCU-UHFFFAOYSA-N 2 1 236.319 0.404 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000228005445 350523703 /nfs/dbraw/zinc/52/37/03/350523703.db2.gz RKTASHQZCMEGAF-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543900 362964109 /nfs/dbraw/zinc/96/41/09/362964109.db2.gz CHUYGSHZXVDION-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543900 362964114 /nfs/dbraw/zinc/96/41/14/362964114.db2.gz CHUYGSHZXVDION-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000577513701 365975504 /nfs/dbraw/zinc/97/55/04/365975504.db2.gz VUHZLOOYUJFIIH-WDEREUQCSA-N 2 1 230.352 0.192 20 0 BCADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)COC1 ZINC000252546309 535151409 /nfs/dbraw/zinc/15/14/09/535151409.db2.gz KJBRTVHHOFOSIC-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)COC1 ZINC000252546309 535151413 /nfs/dbraw/zinc/15/14/13/535151413.db2.gz KJBRTVHHOFOSIC-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C ZINC000617347368 350813921 /nfs/dbraw/zinc/81/39/21/350813921.db2.gz KZMWJXVJYWGAEF-WDEREUQCSA-N 2 1 241.379 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1CC1)C1CC1 ZINC000336681084 191125627 /nfs/dbraw/zinc/12/56/27/191125627.db2.gz IZNIIRQTDZRDCB-LBPRGKRZSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1CC1)C1CC1 ZINC000336681084 191125629 /nfs/dbraw/zinc/12/56/29/191125629.db2.gz IZNIIRQTDZRDCB-LBPRGKRZSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000336681084 191125631 /nfs/dbraw/zinc/12/56/31/191125631.db2.gz IZNIIRQTDZRDCB-LBPRGKRZSA-N 2 1 212.337 0.783 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000336681084 191125632 /nfs/dbraw/zinc/12/56/32/191125632.db2.gz IZNIIRQTDZRDCB-LBPRGKRZSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/CO)CC1(C)C ZINC000623564000 362989912 /nfs/dbraw/zinc/98/99/12/362989912.db2.gz PDGFOWGAQAPFQA-ZWNMCFTASA-N 2 1 212.337 0.997 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402552 350974952 /nfs/dbraw/zinc/97/49/52/350974952.db2.gz RFRSUKMKCCNZCR-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571505 363001449 /nfs/dbraw/zinc/00/14/49/363001449.db2.gz YUQQBDGLKCFYBS-MNOVXSKESA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575408 363004603 /nfs/dbraw/zinc/00/46/03/363004603.db2.gz ZFKRZOHUVZVMKH-DCAQKATOSA-N 2 1 212.337 0.972 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000088050923 351539358 /nfs/dbraw/zinc/53/93/58/351539358.db2.gz DTDHXXZUYWNARD-SECBINFHSA-N 2 1 223.320 0.221 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000577637034 366028342 /nfs/dbraw/zinc/02/83/42/366028342.db2.gz GOUAWTHSDBZGHT-KXNHARMFSA-N 2 1 237.347 0.467 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000637800786 351637301 /nfs/dbraw/zinc/63/73/01/351637301.db2.gz DZULWAGWRDLZNK-SNVBAGLBSA-N 2 1 222.292 0.012 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CCn2cncn2)C1 ZINC000072860612 351638615 /nfs/dbraw/zinc/63/86/15/351638615.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCn2cncn2)C1 ZINC000072860612 351638617 /nfs/dbraw/zinc/63/86/17/351638617.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2cncn2)C1 ZINC000072860612 351638619 /nfs/dbraw/zinc/63/86/19/351638619.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000072860612 351638622 /nfs/dbraw/zinc/63/86/22/351638622.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000072860612 351638624 /nfs/dbraw/zinc/63/86/24/351638624.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 1 237.351 0.552 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805501 351641424 /nfs/dbraw/zinc/64/14/24/351641424.db2.gz YRBGAIQAGWGBMU-SNVBAGLBSA-N 2 1 222.292 0.060 20 0 BCADMP C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637806676 351643940 /nfs/dbraw/zinc/64/39/40/351643940.db2.gz VNCDMSSGZIKFOG-SNVBAGLBSA-N 2 1 213.325 0.054 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637815635 351654720 /nfs/dbraw/zinc/65/47/20/351654720.db2.gz BWQZHPAYNQCUPN-LLVKDONJSA-N 2 1 236.319 0.531 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH3+])CC1 ZINC000637820039 351660796 /nfs/dbraw/zinc/66/07/96/351660796.db2.gz UEXZDSPJGYCGOP-UHFFFAOYSA-N 2 1 236.319 0.578 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637799414 351629117 /nfs/dbraw/zinc/62/91/17/351629117.db2.gz UUTDBMSHCNHYQL-SNVBAGLBSA-N 2 1 222.292 0.141 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H](C)[NH2+]1 ZINC000637840087 351695012 /nfs/dbraw/zinc/69/50/12/351695012.db2.gz NBNNLTKXYJDKOY-GWOFURMSSA-N 2 1 248.330 0.722 20 0 BCADMP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000637841398 351697419 /nfs/dbraw/zinc/69/74/19/351697419.db2.gz OPHWUHLVBUXDKM-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000637842333 351698959 /nfs/dbraw/zinc/69/89/59/351698959.db2.gz UQZVXKOVHWFUPZ-VIFPVBQESA-N 2 1 222.292 0.012 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@H](C)[NH3+] ZINC000637823824 351668931 /nfs/dbraw/zinc/66/89/31/351668931.db2.gz JPGRIUDMIDILSX-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637850809 351708249 /nfs/dbraw/zinc/70/82/49/351708249.db2.gz CLFACRYUAIRUKP-LBPRGKRZSA-N 2 1 238.335 0.681 20 0 BCADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH2+]1)CC(C)(C)C ZINC000637827247 351675879 /nfs/dbraw/zinc/67/58/79/351675879.db2.gz OIKZELJQVTZNSJ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000637857188 351717842 /nfs/dbraw/zinc/71/78/42/351717842.db2.gz NDEGJPZHMYYEIF-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)Cn1c[nH+]cc1C ZINC000637866176 351726514 /nfs/dbraw/zinc/72/65/14/351726514.db2.gz JGIXBJPKASWIOL-NSHDSACASA-N 2 1 238.335 0.825 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638075247 351947255 /nfs/dbraw/zinc/94/72/55/351947255.db2.gz DAMYKDZEXGMUMD-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638064100 351936349 /nfs/dbraw/zinc/93/63/49/351936349.db2.gz ZGWWMCKRHXLKNM-NSHDSACASA-N 2 1 235.331 0.341 20 0 BCADMP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638064099 351936359 /nfs/dbraw/zinc/93/63/59/351936359.db2.gz ZGWWMCKRHXLKNM-LLVKDONJSA-N 2 1 235.331 0.341 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072230 351944989 /nfs/dbraw/zinc/94/49/89/351944989.db2.gz KZRPSAOEYDVWBZ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC000638148504 352009452 /nfs/dbraw/zinc/00/94/52/352009452.db2.gz WKGSNVPFYAYHEU-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638077732 351950756 /nfs/dbraw/zinc/95/07/56/351950756.db2.gz VUOZPQFBZUJJDI-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000638077731 351950853 /nfs/dbraw/zinc/95/08/53/351950853.db2.gz VUOZPQFBZUJJDI-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000638078583 351951648 /nfs/dbraw/zinc/95/16/48/351951648.db2.gz CUCLVBTVLZYAPH-NSHDSACASA-N 2 1 247.342 0.856 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000638080149 351953755 /nfs/dbraw/zinc/95/37/55/351953755.db2.gz ZLUNTLUXFAXJNZ-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000638082002 351955167 /nfs/dbraw/zinc/95/51/67/351955167.db2.gz RPUDUBBZLCHYJQ-WDEREUQCSA-N 2 1 235.331 0.387 20 0 BCADMP C[N@@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638082220 351955648 /nfs/dbraw/zinc/95/56/48/351955648.db2.gz GFTCFOMRDUYBNV-JTQLQIEISA-N 2 1 223.320 0.244 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638081462 351957501 /nfs/dbraw/zinc/95/75/01/351957501.db2.gz MAMGCUPCAYGOIR-NXEZZACHSA-N 2 1 225.336 0.337 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638150229 352010977 /nfs/dbraw/zinc/01/09/77/352010977.db2.gz VPVSEBFUUOLDJR-KOLCDFICSA-N 2 1 236.319 0.387 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000638085112 351961260 /nfs/dbraw/zinc/96/12/60/351961260.db2.gz JNRPILGNRRUERK-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000638085116 351961468 /nfs/dbraw/zinc/96/14/68/351961468.db2.gz JNRPILGNRRUERK-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP O=C(CCC1C[NH2+]C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638086473 351963919 /nfs/dbraw/zinc/96/39/19/351963919.db2.gz ZLHUWFXNPRWABT-LLVKDONJSA-N 2 1 237.347 0.339 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638151786 352011839 /nfs/dbraw/zinc/01/18/39/352011839.db2.gz AMHBHNAWZONLPZ-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638151785 352011937 /nfs/dbraw/zinc/01/19/37/352011937.db2.gz AMHBHNAWZONLPZ-MWLCHTKSSA-N 2 1 225.336 0.182 20 0 BCADMP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638102220 351983511 /nfs/dbraw/zinc/98/35/11/351983511.db2.gz UCQOPOZCGBAZCS-YPMHNXCESA-N 2 1 249.358 0.729 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638127660 351999218 /nfs/dbraw/zinc/99/92/18/351999218.db2.gz XEVBAFJIMOLIGD-CMPLNLGQSA-N 2 1 237.347 0.492 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000638130640 352000487 /nfs/dbraw/zinc/00/04/87/352000487.db2.gz LZAGNIBJLSFUQT-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000638133515 352000802 /nfs/dbraw/zinc/00/08/02/352000802.db2.gz IIGXRRQEFNXQPG-CKYFFXLPSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638176841 352042847 /nfs/dbraw/zinc/04/28/47/352042847.db2.gz GIHAZFCKDOPUFG-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638180578 352045035 /nfs/dbraw/zinc/04/50/35/352045035.db2.gz WTQKWEBOKVDIFU-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP C(C[C@H]1CCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186108 352050726 /nfs/dbraw/zinc/05/07/26/352050726.db2.gz LGHFWJYIULMBPQ-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP CO[C@](C)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186365 352052940 /nfs/dbraw/zinc/05/29/40/352052940.db2.gz ROHWYWVASVZSBL-NTZNESFSSA-N 2 1 224.348 0.953 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638212928 352075288 /nfs/dbraw/zinc/07/52/88/352075288.db2.gz AWBSWIHGTVZPQU-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH3+])CC1 ZINC000638195811 352058737 /nfs/dbraw/zinc/05/87/37/352058737.db2.gz KQVHFEALDCZPHA-UHFFFAOYSA-N 2 1 236.319 0.531 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638200119 352061234 /nfs/dbraw/zinc/06/12/34/352061234.db2.gz ONZMFAQDVNMUSH-WOPDTQHZSA-N 2 1 239.363 0.857 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638213607 352075577 /nfs/dbraw/zinc/07/55/77/352075577.db2.gz LSIUWVKEGXKLNO-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000638205611 352068045 /nfs/dbraw/zinc/06/80/45/352068045.db2.gz IXJBVDOMSMTAMK-ZJUUUORDSA-N 2 1 236.319 0.400 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000638205610 352068220 /nfs/dbraw/zinc/06/82/20/352068220.db2.gz IXJBVDOMSMTAMK-VHSXEESVSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638208906 352071599 /nfs/dbraw/zinc/07/15/99/352071599.db2.gz WORPMDITRMANRA-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC1([NH3+])CCC1 ZINC000638161529 352029237 /nfs/dbraw/zinc/02/92/37/352029237.db2.gz DDYBSUMCBXSHIC-UHFFFAOYSA-N 2 1 222.292 0.189 20 0 BCADMP C[C@H](C[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638172811 352040391 /nfs/dbraw/zinc/04/03/91/352040391.db2.gz QWJMOMZWPVYAPB-SECBINFHSA-N 2 1 215.341 0.428 20 0 BCADMP C[C@H](C[NH3+])NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000638172859 352040633 /nfs/dbraw/zinc/04/06/33/352040633.db2.gz RNDHHFNDHWRSAM-GFCCVEGCSA-N 2 1 249.358 0.624 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000638285024 352122055 /nfs/dbraw/zinc/12/20/55/352122055.db2.gz FCQCXFAUAWRFCG-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638219085 352078699 /nfs/dbraw/zinc/07/86/99/352078699.db2.gz GMCNNWQZJJVSKJ-GFCCVEGCSA-N 2 1 236.319 0.389 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000638304506 352134554 /nfs/dbraw/zinc/13/45/54/352134554.db2.gz QNAKJSGSCCVJMO-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[N@H+]1C ZINC000638236324 352086859 /nfs/dbraw/zinc/08/68/59/352086859.db2.gz BVEBLKHODNPRSO-FIQHERPVSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+]1C ZINC000638242897 352090168 /nfs/dbraw/zinc/09/01/68/352090168.db2.gz IZLJJCAGHDTURK-PREPNJAASA-N 2 1 237.347 0.051 20 0 BCADMP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638243652 352091688 /nfs/dbraw/zinc/09/16/88/352091688.db2.gz QPYYDSNWJMVBMZ-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638252636 352095935 /nfs/dbraw/zinc/09/59/35/352095935.db2.gz VGVDMVLGMKFVNE-GFCCVEGCSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638253515 352096321 /nfs/dbraw/zinc/09/63/21/352096321.db2.gz AEVCVTQSBFHHNA-BBBLOLIVSA-N 2 1 213.325 0.323 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638258219 352101701 /nfs/dbraw/zinc/10/17/01/352101701.db2.gz YSZXCDLPNYNPKX-DTWKUNHWSA-N 2 1 210.281 0.043 20 0 BCADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638259311 352103037 /nfs/dbraw/zinc/10/30/37/352103037.db2.gz ORAFUDZFDCVNKC-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638259311 352103039 /nfs/dbraw/zinc/10/30/39/352103039.db2.gz ORAFUDZFDCVNKC-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCC1 ZINC000638261982 352104418 /nfs/dbraw/zinc/10/44/18/352104418.db2.gz KGWACTPUWRKEEQ-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP C[NH2+]CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960732 352105570 /nfs/dbraw/zinc/10/55/70/352105570.db2.gz ULCXXQQAGMELHC-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CN(CC[NH3+])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638343015 352161738 /nfs/dbraw/zinc/16/17/38/352161738.db2.gz JSTIUTDZVIRAJD-UHFFFAOYSA-N 2 1 215.341 0.381 20 0 BCADMP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638345693 352164291 /nfs/dbraw/zinc/16/42/91/352164291.db2.gz XCADHDUNYWWACH-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364154 352177071 /nfs/dbraw/zinc/17/70/71/352177071.db2.gz CZAJBDVHAIATHU-UTUOFQBUSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638368715 352178120 /nfs/dbraw/zinc/17/81/20/352178120.db2.gz MJLMINFMSQZBGK-AXFHLTTASA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC[N@H+]1C ZINC000638370394 352180232 /nfs/dbraw/zinc/18/02/32/352180232.db2.gz LYDQJCGFYGEURN-WISYIIOYSA-N 2 1 241.379 0.959 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638370972 352184196 /nfs/dbraw/zinc/18/41/96/352184196.db2.gz OEHBMCBNBWVNBC-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638437749 352245306 /nfs/dbraw/zinc/24/53/06/352245306.db2.gz UNCZUIJKEDPNMH-LLVKDONJSA-N 2 1 222.292 0.060 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442070 352248790 /nfs/dbraw/zinc/24/87/90/352248790.db2.gz NZKKABRZCWIDIT-DGCLKSJQSA-N 2 1 248.330 0.531 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638440247 352249656 /nfs/dbraw/zinc/24/96/56/352249656.db2.gz NWLIBFKWLPUDFH-JQWIXIFHSA-N 2 1 225.336 0.339 20 0 BCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)C(C)C ZINC000638490262 352299434 /nfs/dbraw/zinc/29/94/34/352299434.db2.gz TYVTZBBAHNKAPQ-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638572450 352401247 /nfs/dbraw/zinc/40/12/47/352401247.db2.gz LOMQMRZYQFJJNR-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP C(C[NH2+][C@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414957905 352378676 /nfs/dbraw/zinc/37/86/76/352378676.db2.gz CDCHIDAVXSRUFW-NEPJUHHUSA-N 3 1 211.353 0.860 20 0 BCADMP C1[C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013994 352550537 /nfs/dbraw/zinc/55/05/37/352550537.db2.gz WDJXZBNBQDQVHP-FRRDWIJNSA-N 2 1 223.364 0.716 20 0 BCADMP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013994 352550538 /nfs/dbraw/zinc/55/05/38/352550538.db2.gz WDJXZBNBQDQVHP-FRRDWIJNSA-N 3 1 223.364 0.716 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383169313 352519150 /nfs/dbraw/zinc/51/91/50/352519150.db2.gz PIWWMWHDZRQNKJ-SECBINFHSA-N 2 1 236.319 0.448 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060383 187744617 /nfs/dbraw/zinc/74/46/17/187744617.db2.gz ODUQRIHSUKHRRV-AAEUAGOBSA-N 2 1 236.363 0.892 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000041680046 352616016 /nfs/dbraw/zinc/61/60/16/352616016.db2.gz KXYFFELNJXYNGR-UWVGGRQHSA-N 2 1 245.392 0.495 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493652 352637249 /nfs/dbraw/zinc/63/72/49/352637249.db2.gz RRZDRSVWNJVLCG-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000043493652 352637252 /nfs/dbraw/zinc/63/72/52/352637252.db2.gz RRZDRSVWNJVLCG-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638766523 352703906 /nfs/dbraw/zinc/70/39/06/352703906.db2.gz UDXZYSISWCGBOQ-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638781154 352734274 /nfs/dbraw/zinc/73/42/74/352734274.db2.gz WOYALTXHBUQTKE-TUAOUCFPSA-N 2 1 239.363 0.727 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH3+])C1 ZINC000420172457 192176929 /nfs/dbraw/zinc/17/69/29/192176929.db2.gz POUSRFJXJFIOKV-VIFPVBQESA-N 2 1 235.287 0.796 20 0 BCADMP CC(C)(O)C[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000638898147 353061115 /nfs/dbraw/zinc/06/11/15/353061115.db2.gz ILWZVFATZOWFHG-UHFFFAOYSA-N 2 1 242.363 0.336 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000629531121 538107751 /nfs/dbraw/zinc/10/77/51/538107751.db2.gz ARXQXHSNEAUWAQ-SNVBAGLBSA-N 3 1 238.335 0.381 20 0 BCADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CC(C)(C)C ZINC000638919080 353083689 /nfs/dbraw/zinc/08/36/89/353083689.db2.gz XKRBBVQIUIUDMR-QWRGUYRKSA-N 2 1 239.363 0.537 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638931779 353093043 /nfs/dbraw/zinc/09/30/43/353093043.db2.gz RUGOSLAAYQXAMM-WPRPVWTQSA-N 2 1 222.292 0.140 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638933260 353095709 /nfs/dbraw/zinc/09/57/09/353095709.db2.gz YAJZRHXOQNYTAL-DCAQKATOSA-N 2 1 225.336 0.419 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000358284177 188067012 /nfs/dbraw/zinc/06/70/12/188067012.db2.gz FFPKTICXIVOAAY-WXHSDQCUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000358284177 188067015 /nfs/dbraw/zinc/06/70/15/188067015.db2.gz FFPKTICXIVOAAY-WXHSDQCUSA-N 2 1 239.363 0.680 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[NH2+]C ZINC000420223444 192178605 /nfs/dbraw/zinc/17/86/05/192178605.db2.gz AQJNJAYKGXVKDN-UHFFFAOYSA-N 2 1 237.303 0.914 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805781 535207327 /nfs/dbraw/zinc/20/73/27/535207327.db2.gz ZAMSGQAZDDQKKC-SDDRHHMPSA-N 2 1 239.363 0.713 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538753 188123447 /nfs/dbraw/zinc/12/34/47/188123447.db2.gz XLJGAGCAHJFARF-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000037649597 188153003 /nfs/dbraw/zinc/15/30/03/188153003.db2.gz JHPZQRJXYCGVEL-CMPLNLGQSA-N 2 1 237.347 0.339 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000126030788 353220759 /nfs/dbraw/zinc/22/07/59/353220759.db2.gz VPQTZPDFHFVTPX-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000126031344 353220788 /nfs/dbraw/zinc/22/07/88/353220788.db2.gz VPQTZPDFHFVTPX-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000040924200 188149420 /nfs/dbraw/zinc/14/94/20/188149420.db2.gz LBMPYBLDBBOCIW-UHFFFAOYSA-N 2 1 211.309 0.030 20 0 BCADMP CC(C)[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000639018540 353274512 /nfs/dbraw/zinc/27/45/12/353274512.db2.gz NDYKFKSWUYBOPU-LLVKDONJSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131790730 188221969 /nfs/dbraw/zinc/22/19/69/188221969.db2.gz ZPKKIYLHSNPHGK-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131790730 188221971 /nfs/dbraw/zinc/22/19/71/188221971.db2.gz ZPKKIYLHSNPHGK-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251819488 353292610 /nfs/dbraw/zinc/29/26/10/353292610.db2.gz OWWCSQBRLBTKBL-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000129052642 353308370 /nfs/dbraw/zinc/30/83/70/353308370.db2.gz SEXPPEDMBQKPQI-SNVBAGLBSA-N 2 1 225.336 0.006 20 0 BCADMP CCCC[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000166641726 535223457 /nfs/dbraw/zinc/22/34/57/535223457.db2.gz YCYUXRQSTANHFN-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000166641726 535223460 /nfs/dbraw/zinc/22/34/60/535223460.db2.gz YCYUXRQSTANHFN-SNVBAGLBSA-N 2 1 245.392 0.497 20 0 BCADMP CO[C@](C)(C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639048910 353343181 /nfs/dbraw/zinc/34/31/81/353343181.db2.gz CJZAWRXCTRVCJX-OLZOCXBDSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@](C)(C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639048910 353343183 /nfs/dbraw/zinc/34/31/83/353343183.db2.gz CJZAWRXCTRVCJX-OLZOCXBDSA-N 2 1 242.363 0.458 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049153 353347831 /nfs/dbraw/zinc/34/78/31/353347831.db2.gz JDZIXBQIWPAULH-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049153 353347835 /nfs/dbraw/zinc/34/78/35/353347835.db2.gz JDZIXBQIWPAULH-RYUDHWBXSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC(=O)C2)CC[N@@H+]1C ZINC000252215681 363221387 /nfs/dbraw/zinc/22/13/87/363221387.db2.gz ZDHVRBUWNMELKU-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC(=O)C2)CC[N@H+]1C ZINC000252215681 363221393 /nfs/dbraw/zinc/22/13/93/363221393.db2.gz ZDHVRBUWNMELKU-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174341 353471851 /nfs/dbraw/zinc/47/18/51/353471851.db2.gz DCOLRPRIGZQOBA-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP [NH3+]C1(C(=O)NCC[NH+]2CCSCC2)CCC1 ZINC000230937395 353548501 /nfs/dbraw/zinc/54/85/01/353548501.db2.gz SPXWVTVLUAUCHU-UHFFFAOYSA-N 2 1 243.376 0.033 20 0 BCADMP COCC[N@@H+](C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192098195 353541675 /nfs/dbraw/zinc/54/16/75/353541675.db2.gz CUTHTIWRNSBMQE-MNOVXSKESA-N 2 1 245.367 0.054 20 0 BCADMP CC1(C)CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000063067298 353582836 /nfs/dbraw/zinc/58/28/36/353582836.db2.gz VMLVDJOIQDRRKL-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CO[C@@]1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCOC1 ZINC000639113705 353706950 /nfs/dbraw/zinc/70/69/50/353706950.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 2 1 240.347 0.285 20 0 BCADMP CO[C@@]1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCOC1 ZINC000639113705 353706953 /nfs/dbraw/zinc/70/69/53/353706953.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 2 1 240.347 0.285 20 0 BCADMP CO[C@@]1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCOC1 ZINC000639113705 353706955 /nfs/dbraw/zinc/70/69/55/353706955.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 2 1 240.347 0.285 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000227833504 363252351 /nfs/dbraw/zinc/25/23/51/363252351.db2.gz ITSOWTRAZNEHQA-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000227833504 363252357 /nfs/dbraw/zinc/25/23/57/363252357.db2.gz ITSOWTRAZNEHQA-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000353811797 353741971 /nfs/dbraw/zinc/74/19/71/353741971.db2.gz FBUDNHAGPKEZOS-QWRGUYRKSA-N 2 1 236.319 0.660 20 0 BCADMP CC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+](C)C ZINC000343331862 353744694 /nfs/dbraw/zinc/74/46/94/353744694.db2.gz FTLQRUWYIWZYAS-GFCCVEGCSA-N 2 1 239.363 0.705 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000262056931 535247582 /nfs/dbraw/zinc/24/75/82/535247582.db2.gz XMXHADZKHKFJOV-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233427196 353818750 /nfs/dbraw/zinc/81/87/50/353818750.db2.gz PRPYOHHASBFSJI-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000220369410 353837043 /nfs/dbraw/zinc/83/70/43/353837043.db2.gz NTDJNTFVDZNAKN-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000343454331 353894414 /nfs/dbraw/zinc/89/44/14/353894414.db2.gz UKCVONJLOHOZQH-FNFFVJSTSA-N 2 1 242.363 0.287 20 0 BCADMP CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343639218 353950988 /nfs/dbraw/zinc/95/09/88/353950988.db2.gz FKBOSOOLZKFZAD-UHFFFAOYSA-N 2 1 239.363 0.636 20 0 BCADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000343746570 353971024 /nfs/dbraw/zinc/97/10/24/353971024.db2.gz TUMXYZSLVHMPOV-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1CO ZINC000343755556 353973284 /nfs/dbraw/zinc/97/32/84/353973284.db2.gz XXZBPZVVFJMTCL-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1CO ZINC000343755556 353973286 /nfs/dbraw/zinc/97/32/86/353973286.db2.gz XXZBPZVVFJMTCL-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@H]1CO ZINC000343755556 353973288 /nfs/dbraw/zinc/97/32/88/353973288.db2.gz XXZBPZVVFJMTCL-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@H]1CO ZINC000343755556 353973289 /nfs/dbraw/zinc/97/32/89/353973289.db2.gz XXZBPZVVFJMTCL-VXGBXAGGSA-N 2 1 244.404 0.880 20 0 BCADMP CO[C@H](C[N@@H+](C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000639167742 354039508 /nfs/dbraw/zinc/03/95/08/354039508.db2.gz KQQZVOFRDRXVPE-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044225 354110531 /nfs/dbraw/zinc/11/05/31/354110531.db2.gz JBWVHANGBUWTGB-CYBMUJFWSA-N 2 1 245.411 0.837 20 0 BCADMP C[NH+]1CCC(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000344005807 354112264 /nfs/dbraw/zinc/11/22/64/354112264.db2.gz DSJBJUPNYKGSOC-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733760 202012299 /nfs/dbraw/zinc/01/22/99/202012299.db2.gz JQLVBBMQMHCERT-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334600878 354279269 /nfs/dbraw/zinc/27/92/69/354279269.db2.gz CJWDKEHLQFVVLW-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000334600878 354279273 /nfs/dbraw/zinc/27/92/73/354279273.db2.gz CJWDKEHLQFVVLW-NSHDSACASA-N 2 1 240.351 0.038 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](C)CC1 ZINC000344684976 354333002 /nfs/dbraw/zinc/33/30/02/354333002.db2.gz AZWYQJUNMYCQKG-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000334802074 354558032 /nfs/dbraw/zinc/55/80/32/354558032.db2.gz XADLOOZFSZESLK-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CC1 ZINC000617503779 354600677 /nfs/dbraw/zinc/60/06/77/354600677.db2.gz YVWQOROLVKTGEV-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CC1 ZINC000617503779 354600679 /nfs/dbraw/zinc/60/06/79/354600679.db2.gz YVWQOROLVKTGEV-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)CC[NH3+] ZINC000420227901 192179752 /nfs/dbraw/zinc/17/97/52/192179752.db2.gz PQJMURWLPBZFPN-SECBINFHSA-N 2 1 237.303 0.829 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCC[NH3+] ZINC000166028441 354829116 /nfs/dbraw/zinc/82/91/16/354829116.db2.gz HDYMTIVZIOGJAC-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@@H+](CCCCO)C[C@H]1CCC[NH2+]C1 ZINC000234276211 363418356 /nfs/dbraw/zinc/41/83/56/363418356.db2.gz OGUWLQCNGPCDIQ-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000346657047 355004589 /nfs/dbraw/zinc/00/45/89/355004589.db2.gz SWWUXSIGTQZHCS-QWRGUYRKSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000346657047 355004592 /nfs/dbraw/zinc/00/45/92/355004592.db2.gz SWWUXSIGTQZHCS-QWRGUYRKSA-N 2 1 245.330 0.898 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226244 324546787 /nfs/dbraw/zinc/54/67/87/324546787.db2.gz ZEJCUWPKNAPPIP-UWVGGRQHSA-N 2 1 225.336 0.385 20 0 BCADMP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1CCOC ZINC000346816982 355122907 /nfs/dbraw/zinc/12/29/07/355122907.db2.gz BJYCYOKTDGETEA-LBPRGKRZSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+](CCn1cncn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629755 191324576 /nfs/dbraw/zinc/32/45/76/191324576.db2.gz YDYLKPXMRPRRGT-GFCCVEGCSA-N 2 1 237.351 0.742 20 0 BCADMP c1ncn([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825731 355126924 /nfs/dbraw/zinc/12/69/24/355126924.db2.gz LKDQNMDYZUSJGR-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000346827142 355127618 /nfs/dbraw/zinc/12/76/18/355127618.db2.gz HNSUXBBOVPRRCH-SNVBAGLBSA-N 2 1 227.352 0.701 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000346827142 355127622 /nfs/dbraw/zinc/12/76/22/355127622.db2.gz HNSUXBBOVPRRCH-SNVBAGLBSA-N 2 1 227.352 0.701 20 0 BCADMP C[N@@H+](CCCO)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000346982261 355184765 /nfs/dbraw/zinc/18/47/65/355184765.db2.gz NBTAQGKHICKQQP-UHFFFAOYSA-N 2 1 243.395 0.502 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503605 358494368 /nfs/dbraw/zinc/49/43/68/358494368.db2.gz GHTHKXZUQYQZOI-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)C(=O)NCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000347006358 355202786 /nfs/dbraw/zinc/20/27/86/355202786.db2.gz PWFWEMNBONOPBT-UHFFFAOYSA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516239 355233677 /nfs/dbraw/zinc/23/36/77/355233677.db2.gz LSHJEPWZEVYLHD-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335281245 355270986 /nfs/dbraw/zinc/27/09/86/355270986.db2.gz NSQXXDGKZYKCEC-VXGBXAGGSA-N 2 1 211.353 0.846 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC000639259622 355309912 /nfs/dbraw/zinc/30/99/12/355309912.db2.gz BTANNCDYEMHTRC-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000639253097 355287800 /nfs/dbraw/zinc/28/78/00/355287800.db2.gz KVZCMLZVOCEGQW-WRWGMCAJSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000639253097 355287801 /nfs/dbraw/zinc/28/78/01/355287801.db2.gz KVZCMLZVOCEGQW-WRWGMCAJSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000166352764 355387467 /nfs/dbraw/zinc/38/74/67/355387467.db2.gz BGRRBABUWNUUHP-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1CCCc1cncn1C ZINC000314638143 355359307 /nfs/dbraw/zinc/35/93/07/355359307.db2.gz UNLTZQONBQVSLW-ZYHUDNBSSA-N 2 1 223.320 0.808 20 0 BCADMP NC(=[NH2+])NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356051200 181188895 /nfs/dbraw/zinc/18/88/95/181188895.db2.gz KCOGINFUVUYWJK-ZDUSSCGKSA-N 2 1 248.330 0.106 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414742695 191558587 /nfs/dbraw/zinc/55/85/87/191558587.db2.gz NTZBWGBTFGVJPV-HOSYDEDBSA-N 2 1 240.347 0.916 20 0 BCADMP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000417287362 191786167 /nfs/dbraw/zinc/78/61/67/191786167.db2.gz OOYSYEDEZJLXTM-LLVKDONJSA-N 2 1 242.367 0.379 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)C ZINC000336003231 134048005 /nfs/dbraw/zinc/04/80/05/134048005.db2.gz JJWBDPDEGAZBFO-NSHDSACASA-N 2 1 227.352 0.347 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201909 355748755 /nfs/dbraw/zinc/74/87/55/355748755.db2.gz WJSMWTVIFCZLJR-GRYCIOLGSA-N 2 1 230.352 0.504 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146681 355768180 /nfs/dbraw/zinc/76/81/80/355768180.db2.gz FABGSVIRLACLBH-SNVBAGLBSA-N 2 1 225.336 0.054 20 0 BCADMP CCn1cncc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000628368021 355862668 /nfs/dbraw/zinc/86/26/68/355862668.db2.gz HGAOIPCHFUXEPU-LBPRGKRZSA-N 2 1 239.319 0.486 20 0 BCADMP CC[N@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000167208372 355977174 /nfs/dbraw/zinc/97/71/74/355977174.db2.gz GYWWXNSEHAFSLF-SNVBAGLBSA-N 2 1 243.376 0.249 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000167208372 355977178 /nfs/dbraw/zinc/97/71/78/355977178.db2.gz GYWWXNSEHAFSLF-SNVBAGLBSA-N 2 1 243.376 0.249 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000167432214 355993613 /nfs/dbraw/zinc/99/36/13/355993613.db2.gz AJVURMACIHYNPP-ZYHUDNBSSA-N 2 1 230.352 0.314 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000167197316 355968697 /nfs/dbraw/zinc/96/86/97/355968697.db2.gz IRUVMRXNIVMREM-QWRGUYRKSA-N 2 1 229.368 0.688 20 0 BCADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617555108 356111407 /nfs/dbraw/zinc/11/14/07/356111407.db2.gz PZRFTTSESBFCKY-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000617555108 356111410 /nfs/dbraw/zinc/11/14/10/356111410.db2.gz PZRFTTSESBFCKY-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000617555108 356111415 /nfs/dbraw/zinc/11/14/15/356111415.db2.gz PZRFTTSESBFCKY-VXGBXAGGSA-N 2 1 239.363 0.633 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335911680 356125124 /nfs/dbraw/zinc/12/51/24/356125124.db2.gz ZRNHNDKFZBFRSN-QWHCGFSZSA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335911680 356125128 /nfs/dbraw/zinc/12/51/28/356125128.db2.gz ZRNHNDKFZBFRSN-QWHCGFSZSA-N 2 1 223.364 0.670 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351745964 356079442 /nfs/dbraw/zinc/07/94/42/356079442.db2.gz DESLHMPHWOMHPE-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000351807792 356088324 /nfs/dbraw/zinc/08/83/24/356088324.db2.gz HYFINKDLXNBLTO-WOPDTQHZSA-N 2 1 212.337 0.783 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864949 356101868 /nfs/dbraw/zinc/10/18/68/356101868.db2.gz ZYPVSAMYOADBNI-SRVKXCTJSA-N 2 1 241.379 0.911 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCC[NH3+] ZINC000418254396 192008374 /nfs/dbraw/zinc/00/83/74/192008374.db2.gz ZWSSOOVXDQATQL-LLVKDONJSA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+](C)C ZINC000336084039 134076115 /nfs/dbraw/zinc/07/61/15/134076115.db2.gz VFEFSSXGSFJOIP-NEPJUHHUSA-N 2 1 241.379 0.879 20 0 BCADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCCC[NH3+])C1 ZINC000418297620 192019746 /nfs/dbraw/zinc/01/97/46/192019746.db2.gz UPOJANGDPAVZBN-NSHDSACASA-N 2 1 242.367 0.366 20 0 BCADMP C[N@H+]1CCC[C@H](CCNC(=O)NCCC[NH3+])C1 ZINC000418297618 192020229 /nfs/dbraw/zinc/02/02/29/192020229.db2.gz UPOJANGDPAVZBN-LLVKDONJSA-N 2 1 242.367 0.366 20 0 BCADMP CCC[N@@H+](CCO)CCc1cncn1C ZINC000639451126 356236462 /nfs/dbraw/zinc/23/64/62/356236462.db2.gz BPKFNLDGDONPRT-UHFFFAOYSA-N 2 1 211.309 0.667 20 0 BCADMP C[NH2+]CCCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000418306611 192021084 /nfs/dbraw/zinc/02/10/84/192021084.db2.gz KOMGZUURSWXACM-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307622 192021463 /nfs/dbraw/zinc/02/14/63/192021463.db2.gz DPWXDYSWTQVBDG-LLVKDONJSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC[NH3+] ZINC000418311525 192021799 /nfs/dbraw/zinc/02/17/99/192021799.db2.gz LZSIXHQODNHJNW-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000332180649 356209732 /nfs/dbraw/zinc/20/97/32/356209732.db2.gz ONKNTSNNAIOHQD-NSHDSACASA-N 2 1 240.351 0.071 20 0 BCADMP COCC(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000639471823 356261482 /nfs/dbraw/zinc/26/14/82/356261482.db2.gz SGUHCWCQCLPDGN-UHFFFAOYSA-N 2 1 211.309 0.977 20 0 BCADMP CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000333241504 356270420 /nfs/dbraw/zinc/27/04/20/356270420.db2.gz DXKCCZZFZKISFM-MDZLAQPJSA-N 2 1 239.363 0.775 20 0 BCADMP COC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320967 192195083 /nfs/dbraw/zinc/19/50/83/192195083.db2.gz UTKJTTXUKGMERI-LLVKDONJSA-N 2 1 226.320 0.481 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420257075 192188631 /nfs/dbraw/zinc/18/86/31/192188631.db2.gz DJBOYVNTNPFLCO-YIZRAAEISA-N 2 1 239.323 0.417 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]([NH3+])CC ZINC000420264226 192191199 /nfs/dbraw/zinc/19/11/99/192191199.db2.gz OUNDUPWUJLTWCY-VIFPVBQESA-N 2 1 237.303 0.829 20 0 BCADMP C[C@H](CCNC(=O)C[NH+]1CC(C)(C)C1)[NH+](C)C ZINC000617760206 356321985 /nfs/dbraw/zinc/32/19/85/356321985.db2.gz WBBYETVZFKGUGW-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336122275 134091822 /nfs/dbraw/zinc/09/18/22/134091822.db2.gz VLCGHHUCJAEKNF-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336122275 134091823 /nfs/dbraw/zinc/09/18/23/134091823.db2.gz VLCGHHUCJAEKNF-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336122275 134091824 /nfs/dbraw/zinc/09/18/24/134091824.db2.gz VLCGHHUCJAEKNF-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336122275 134091825 /nfs/dbraw/zinc/09/18/25/134091825.db2.gz VLCGHHUCJAEKNF-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336122275 134091826 /nfs/dbraw/zinc/09/18/26/134091826.db2.gz VLCGHHUCJAEKNF-MNOVXSKESA-N 2 1 225.336 0.101 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420297634 192205150 /nfs/dbraw/zinc/20/51/50/192205150.db2.gz YZDRKOKVEYJWOD-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420297634 192205153 /nfs/dbraw/zinc/20/51/53/192205153.db2.gz YZDRKOKVEYJWOD-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617750319 356308782 /nfs/dbraw/zinc/30/87/82/356308782.db2.gz AXJHRQOEEGOSEP-NSHDSACASA-N 2 1 229.368 0.783 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302905 192207107 /nfs/dbraw/zinc/20/71/07/192207107.db2.gz MSQHGCDFYAWGPI-NWDGAFQWSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000617752992 356312209 /nfs/dbraw/zinc/31/22/09/356312209.db2.gz YOSZMPKBFUIBNS-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000420291763 192202581 /nfs/dbraw/zinc/20/25/81/192202581.db2.gz KSHDKLOXCAWDTR-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000420291763 192202584 /nfs/dbraw/zinc/20/25/84/192202584.db2.gz KSHDKLOXCAWDTR-JHJVBQTASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCCC[C@@H]2C[NH3+])CCO1 ZINC000420291998 192202810 /nfs/dbraw/zinc/20/28/10/192202810.db2.gz LFGVMYKNEJYEGL-QWHCGFSZSA-N 2 1 241.379 0.520 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCCC[C@@H]2C[NH3+])CCO1 ZINC000420291998 192202811 /nfs/dbraw/zinc/20/28/11/192202811.db2.gz LFGVMYKNEJYEGL-QWHCGFSZSA-N 2 1 241.379 0.520 20 0 BCADMP NC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420293227 192202822 /nfs/dbraw/zinc/20/28/22/192202822.db2.gz MVNDYNRSTGLXBZ-RYUDHWBXSA-N 2 1 211.353 0.799 20 0 BCADMP [NH3+]C[C@@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420293227 192202824 /nfs/dbraw/zinc/20/28/24/192202824.db2.gz MVNDYNRSTGLXBZ-RYUDHWBXSA-N 2 1 211.353 0.799 20 0 BCADMP CO[C@H](C)C[N@@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000420314590 192213016 /nfs/dbraw/zinc/21/30/16/192213016.db2.gz ZBSJHJCCAPDUDB-CYBMUJFWSA-N 2 1 243.395 0.637 20 0 BCADMP C[N@@H+](CCC(=O)Nc1cccnc1)C1CC([NH3+])C1 ZINC000420330669 192215117 /nfs/dbraw/zinc/21/51/17/192215117.db2.gz LMSXSGSQPFUWAK-UHFFFAOYSA-N 2 1 248.330 0.832 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337960 192215675 /nfs/dbraw/zinc/21/56/75/192215675.db2.gz XNGFBNQYWAVMRA-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346519 192218143 /nfs/dbraw/zinc/21/81/43/192218143.db2.gz YNJNONNRKXGVMF-XQQFMLRXSA-N 3 1 223.364 0.670 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346519 192218145 /nfs/dbraw/zinc/21/81/45/192218145.db2.gz YNJNONNRKXGVMF-XQQFMLRXSA-N 3 1 223.364 0.670 20 0 BCADMP COC[C@](C)(CCO)[NH2+]CCc1c[nH+]cn1C ZINC000639513390 356350550 /nfs/dbraw/zinc/35/05/50/356350550.db2.gz RGFSZYQPNHCNPH-LBPRGKRZSA-N 2 1 241.335 0.340 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420303131 192207656 /nfs/dbraw/zinc/20/76/56/192207656.db2.gz HCVVTUOMCYUUJS-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000420306473 192208694 /nfs/dbraw/zinc/20/86/94/192208694.db2.gz HOWIEHKRVUEUJO-XQQFMLRXSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[N@H+]1CCO[C@@H](C)C1 ZINC000420306473 192208696 /nfs/dbraw/zinc/20/86/96/192208696.db2.gz HOWIEHKRVUEUJO-XQQFMLRXSA-N 2 1 241.379 0.389 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420311172 192210297 /nfs/dbraw/zinc/21/02/97/192210297.db2.gz GYSGYLZOWXPNRR-QWRGUYRKSA-N 2 1 226.320 0.481 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497672 181267968 /nfs/dbraw/zinc/26/79/68/181267968.db2.gz VSHBJSIEWVJBPC-NSHDSACASA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000420311838 192210550 /nfs/dbraw/zinc/21/05/50/192210550.db2.gz IBLOUPFHSHNZDB-UHFFFAOYSA-N 2 1 213.325 0.313 20 0 BCADMP COCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420357882 192218696 /nfs/dbraw/zinc/21/86/96/192218696.db2.gz DWARZCMYJHNDOC-GRYCIOLGSA-N 2 1 230.352 0.626 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369784 192226853 /nfs/dbraw/zinc/22/68/53/192226853.db2.gz OMUSSEIZLJKAHE-NTZNESFSSA-N 3 1 225.380 0.962 20 0 BCADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420322695 192228044 /nfs/dbraw/zinc/22/80/44/192228044.db2.gz XBPWAWZHYDSYCD-JQWIXIFHSA-N 2 1 211.353 0.655 20 0 BCADMP CN(CC[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000420322695 192228045 /nfs/dbraw/zinc/22/80/45/192228045.db2.gz XBPWAWZHYDSYCD-JQWIXIFHSA-N 2 1 211.353 0.655 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420322696 192228121 /nfs/dbraw/zinc/22/81/21/192228121.db2.gz XBPWAWZHYDSYCD-PWSUYJOCSA-N 2 1 211.353 0.655 20 0 BCADMP CN(CC[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000420322696 192228124 /nfs/dbraw/zinc/22/81/24/192228124.db2.gz XBPWAWZHYDSYCD-PWSUYJOCSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327919 192228863 /nfs/dbraw/zinc/22/88/63/192228863.db2.gz LSCYMIUSFAQSTB-TUAOUCFPSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327919 192228864 /nfs/dbraw/zinc/22/88/64/192228864.db2.gz LSCYMIUSFAQSTB-TUAOUCFPSA-N 2 1 211.353 0.655 20 0 BCADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420327071 192229713 /nfs/dbraw/zinc/22/97/13/192229713.db2.gz CSZYHVKVZOCBLP-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420327071 192229716 /nfs/dbraw/zinc/22/97/16/192229716.db2.gz CSZYHVKVZOCBLP-WDEREUQCSA-N 2 1 226.320 0.623 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCN1CCO[C@@H](C)C1 ZINC000420326439 192229778 /nfs/dbraw/zinc/22/97/78/192229778.db2.gz XKYXBXIMSIQSNI-QWHCGFSZSA-N 2 1 243.395 0.670 20 0 BCADMP CCCCNC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420329305 192230202 /nfs/dbraw/zinc/23/02/02/192230202.db2.gz JEWMGBBXBDAVLN-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP COCCOCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420357886 192219475 /nfs/dbraw/zinc/21/94/75/192219475.db2.gz DWARZCMYJHNDOC-QJPTWQEYSA-N 2 1 230.352 0.626 20 0 BCADMP C[N@H+](CCOC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000420357695 192219648 /nfs/dbraw/zinc/21/96/48/192219648.db2.gz SMNAXEJIIUPGJQ-GFCCVEGCSA-N 2 1 244.379 0.977 20 0 BCADMP C[N@@H+](CCOC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000420357695 192219649 /nfs/dbraw/zinc/21/96/49/192219649.db2.gz SMNAXEJIIUPGJQ-GFCCVEGCSA-N 2 1 244.379 0.977 20 0 BCADMP CCOC(=O)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000420362032 192222594 /nfs/dbraw/zinc/22/25/94/192222594.db2.gz NWWZNNOAFQFQTQ-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP CCOC(=O)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000420362032 192222596 /nfs/dbraw/zinc/22/25/96/192222596.db2.gz NWWZNNOAFQFQTQ-NSHDSACASA-N 2 1 244.335 0.379 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420363676 192223240 /nfs/dbraw/zinc/22/32/40/192223240.db2.gz PTPUQRDOOWBGRS-IUCAKERBSA-N 2 1 200.282 0.361 20 0 BCADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000420363676 192223243 /nfs/dbraw/zinc/22/32/43/192223243.db2.gz PTPUQRDOOWBGRS-IUCAKERBSA-N 2 1 200.282 0.361 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000420363882 192223455 /nfs/dbraw/zinc/22/34/55/192223455.db2.gz PYHLCZLMOPKNRY-LLVKDONJSA-N 2 1 214.309 0.073 20 0 BCADMP COCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420365675 192223652 /nfs/dbraw/zinc/22/36/52/192223652.db2.gz LKIHDHNCILUKQU-OUAUKWLOSA-N 2 1 200.326 0.999 20 0 BCADMP [NH3+]CCOCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420364662 192224799 /nfs/dbraw/zinc/22/47/99/192224799.db2.gz KKEHSMYHRYFDPW-LBPRGKRZSA-N 2 1 229.368 0.459 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383767 192235024 /nfs/dbraw/zinc/23/50/24/192235024.db2.gz DORCQKKLMVAVFM-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383767 192235025 /nfs/dbraw/zinc/23/50/25/192235025.db2.gz DORCQKKLMVAVFM-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C(C[N@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CC[NH2+]C1 ZINC000420404378 192238190 /nfs/dbraw/zinc/23/81/90/192238190.db2.gz RZMAWNSYLYTEGT-RWMBFGLXSA-N 2 1 223.364 0.812 20 0 BCADMP C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CC[NH2+]C1 ZINC000420404378 192238191 /nfs/dbraw/zinc/23/81/91/192238191.db2.gz RZMAWNSYLYTEGT-RWMBFGLXSA-N 2 1 223.364 0.812 20 0 BCADMP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1ccnc1 ZINC000368971878 181275154 /nfs/dbraw/zinc/27/51/54/181275154.db2.gz DNKIQQMOUSIEBL-SRVKXCTJSA-N 2 1 248.330 0.469 20 0 BCADMP C(C[N@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CC[NH2+]C1 ZINC000420404379 192238498 /nfs/dbraw/zinc/23/84/98/192238498.db2.gz RZMAWNSYLYTEGT-UPJWGTAASA-N 2 1 223.364 0.812 20 0 BCADMP C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CC[NH2+]C1 ZINC000420404379 192238500 /nfs/dbraw/zinc/23/85/00/192238500.db2.gz RZMAWNSYLYTEGT-UPJWGTAASA-N 2 1 223.364 0.812 20 0 BCADMP CN(C)C(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420373197 192231592 /nfs/dbraw/zinc/23/15/92/192231592.db2.gz QWYPJYHZCPMBEA-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(C)(C)O ZINC000420381238 192233914 /nfs/dbraw/zinc/23/39/14/192233914.db2.gz ZBLKURMUVDORSH-KXUCPTDWSA-N 2 1 200.326 0.733 20 0 BCADMP C[C@@H]1C[C@@H](O)C[N@H+]1CCc1cncn1C ZINC000639551697 356437378 /nfs/dbraw/zinc/43/73/78/356437378.db2.gz NBCSTGRJLJCKFJ-MWLCHTKSSA-N 2 1 209.293 0.418 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497674 181279112 /nfs/dbraw/zinc/27/91/12/181279112.db2.gz VSHBJSIEWVJBPC-LLVKDONJSA-N 2 1 225.336 0.326 20 0 BCADMP CN1CCOC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000623711051 356468280 /nfs/dbraw/zinc/46/82/80/356468280.db2.gz SSDWFMRJDFMMTA-LBPRGKRZSA-N 2 1 227.352 0.001 20 0 BCADMP NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250864332 181279685 /nfs/dbraw/zinc/27/96/85/181279685.db2.gz QZAKYZBDSVVXHF-WDEREUQCSA-N 2 1 225.336 0.326 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250864332 181279686 /nfs/dbraw/zinc/27/96/86/181279686.db2.gz QZAKYZBDSVVXHF-WDEREUQCSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]CCc1c[nH+]cn1C ZINC000639577363 356498234 /nfs/dbraw/zinc/49/82/34/356498234.db2.gz FJLWEGQNMNISAC-GFCCVEGCSA-N 2 1 225.336 0.959 20 0 BCADMP C[C@@H](CO)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000639582059 356502749 /nfs/dbraw/zinc/50/27/49/356502749.db2.gz ZTDCQPBXBIFFGU-UWVGGRQHSA-N 2 1 211.309 0.569 20 0 BCADMP Cn1c[nH+]cc1CCN1CCOCC12CC2 ZINC000639630988 356545166 /nfs/dbraw/zinc/54/51/66/356545166.db2.gz MSORQMRZIUOEEE-UHFFFAOYSA-N 2 1 221.304 0.827 20 0 BCADMP Cn1cncc1CC[N@@H+]1CCOCC12CC2 ZINC000639630988 356545171 /nfs/dbraw/zinc/54/51/71/356545171.db2.gz MSORQMRZIUOEEE-UHFFFAOYSA-N 2 1 221.304 0.827 20 0 BCADMP CCN(CCc1cncn1C)[C@@H]1CCNC1=O ZINC000639624889 356539121 /nfs/dbraw/zinc/53/91/21/356539121.db2.gz LCZRDIMKMVDHEG-LLVKDONJSA-N 2 1 236.319 0.173 20 0 BCADMP CC(C)[C@@](C)(CO)[NH2+]CCc1c[nH+]cn1C ZINC000639647315 356553463 /nfs/dbraw/zinc/55/34/63/356553463.db2.gz CZHMFQSWXGFMDK-GFCCVEGCSA-N 2 1 225.336 0.959 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)CCc1cncn1C ZINC000639658698 356566899 /nfs/dbraw/zinc/56/68/99/356566899.db2.gz CGUKSMJPSRNQBE-JTQLQIEISA-N 2 1 211.309 0.665 20 0 BCADMP C[C@H](C(N)=O)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681845 356592467 /nfs/dbraw/zinc/59/24/67/356592467.db2.gz FQEAFSBVIJBQKL-LLVKDONJSA-N 2 1 248.330 0.468 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681845 356592470 /nfs/dbraw/zinc/59/24/70/356592470.db2.gz FQEAFSBVIJBQKL-LLVKDONJSA-N 2 1 248.330 0.468 20 0 BCADMP C[C@@H](C(N)=O)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681846 356592758 /nfs/dbraw/zinc/59/27/58/356592758.db2.gz FQEAFSBVIJBQKL-NSHDSACASA-N 2 1 248.330 0.468 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681846 356592759 /nfs/dbraw/zinc/59/27/59/356592759.db2.gz FQEAFSBVIJBQKL-NSHDSACASA-N 2 1 248.330 0.468 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1([NH3+])CCC1 ZINC000336215750 134136577 /nfs/dbraw/zinc/13/65/77/134136577.db2.gz HJQQFBZRUUFKHM-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000189323810 538462795 /nfs/dbraw/zinc/46/27/95/538462795.db2.gz JGVRPWHQPHMUKD-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000346651470 134153131 /nfs/dbraw/zinc/15/31/31/134153131.db2.gz SNWOXYOXYNIUJT-QWRGUYRKSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000167656434 134153233 /nfs/dbraw/zinc/15/32/33/134153233.db2.gz JXGBKYYYKAHPQG-OUAUKWLOSA-N 2 1 225.336 0.134 20 0 BCADMP Cn1nncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755272 356658837 /nfs/dbraw/zinc/65/88/37/356658837.db2.gz JFANIRKDXWEJCF-UHFFFAOYSA-N 2 1 249.362 0.733 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](CCO)COC)CC1 ZINC000168057321 134155915 /nfs/dbraw/zinc/15/59/15/134155915.db2.gz QLYLEDSZHYQLRF-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248205 356679070 /nfs/dbraw/zinc/67/90/70/356679070.db2.gz OYOJCKPYTWWGAL-QWRGUYRKSA-N 2 1 240.351 0.117 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000639763210 356689204 /nfs/dbraw/zinc/68/92/04/356689204.db2.gz WEHTXKHIMZTOAH-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCOC2)C1 ZINC000639763210 356689206 /nfs/dbraw/zinc/68/92/06/356689206.db2.gz WEHTXKHIMZTOAH-QWHCGFSZSA-N 2 1 242.363 0.554 20 0 BCADMP COC[C@H](C)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639762464 356685252 /nfs/dbraw/zinc/68/52/52/356685252.db2.gz LHCUXFMVXREOQM-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762464 356685253 /nfs/dbraw/zinc/68/52/53/356685253.db2.gz LHCUXFMVXREOQM-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762464 356685254 /nfs/dbraw/zinc/68/52/54/356685254.db2.gz LHCUXFMVXREOQM-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP COC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762464 356685257 /nfs/dbraw/zinc/68/52/57/356685257.db2.gz LHCUXFMVXREOQM-NWDGAFQWSA-N 2 1 230.352 0.410 20 0 BCADMP CCOCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769506 356709329 /nfs/dbraw/zinc/70/93/29/356709329.db2.gz YZXUHWOZAOWYEU-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CCOCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639769506 356709331 /nfs/dbraw/zinc/70/93/31/356709331.db2.gz YZXUHWOZAOWYEU-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000354574508 356740759 /nfs/dbraw/zinc/74/07/59/356740759.db2.gz GYHKJHGXKHWBOL-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193718 366379634 /nfs/dbraw/zinc/37/96/34/366379634.db2.gz KRWWQJQZISOVAA-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@@H](C)[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000578193718 366379640 /nfs/dbraw/zinc/37/96/40/366379640.db2.gz KRWWQJQZISOVAA-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP CCN1C[C@@H](C)[N@@H+](CCOCC[NH3+])C[C@@H]1C ZINC000578193718 366379644 /nfs/dbraw/zinc/37/96/44/366379644.db2.gz KRWWQJQZISOVAA-NWDGAFQWSA-N 2 1 229.368 0.376 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000357240639 356820170 /nfs/dbraw/zinc/82/01/70/356820170.db2.gz MIJSVULKRYNKQJ-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254083 356820194 /nfs/dbraw/zinc/82/01/94/356820194.db2.gz YQTHLZPKDBWYJU-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853243 /nfs/dbraw/zinc/85/32/43/356853243.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853245 /nfs/dbraw/zinc/85/32/45/356853245.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853246 /nfs/dbraw/zinc/85/32/46/356853246.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853290 /nfs/dbraw/zinc/85/32/90/356853290.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853293 /nfs/dbraw/zinc/85/32/93/356853293.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853295 /nfs/dbraw/zinc/85/32/95/356853295.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000130700980 325081682 /nfs/dbraw/zinc/08/16/82/325081682.db2.gz DANMYNRTBPDZLK-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000389570062 356992726 /nfs/dbraw/zinc/99/27/26/356992726.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000389570062 356992728 /nfs/dbraw/zinc/99/27/28/356992728.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000389570062 356992729 /nfs/dbraw/zinc/99/27/29/356992729.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000389570062 356992732 /nfs/dbraw/zinc/99/27/32/356992732.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000389570062 356992735 /nfs/dbraw/zinc/99/27/35/356992735.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000389570062 356992737 /nfs/dbraw/zinc/99/27/37/356992737.db2.gz BHOJZKDIZWYYQU-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156114136 538768726 /nfs/dbraw/zinc/76/87/26/538768726.db2.gz KFNZBTPDCRCACF-GRYCIOLGSA-N 2 1 212.337 0.974 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000390466640 357094734 /nfs/dbraw/zinc/09/47/34/357094734.db2.gz ARPGMTXMMHDTIW-ZYHUDNBSSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000390466640 357094737 /nfs/dbraw/zinc/09/47/37/357094737.db2.gz ARPGMTXMMHDTIW-ZYHUDNBSSA-N 2 1 244.404 0.927 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504660 357098783 /nfs/dbraw/zinc/09/87/83/357098783.db2.gz WKSOPJIYLHLNBS-UTUOFQBUSA-N 3 1 209.337 0.137 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504660 357098786 /nfs/dbraw/zinc/09/87/86/357098786.db2.gz WKSOPJIYLHLNBS-UTUOFQBUSA-N 3 1 209.337 0.137 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392806187 357234812 /nfs/dbraw/zinc/23/48/12/357234812.db2.gz CKTRVLHYWXYDSD-RYUDHWBXSA-N 2 1 237.347 0.363 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000393564978 357287653 /nfs/dbraw/zinc/28/76/53/357287653.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000393564978 357287656 /nfs/dbraw/zinc/28/76/56/357287656.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000393564978 357287658 /nfs/dbraw/zinc/28/76/58/357287658.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CCC(C)(C)O)C1CC1 ZINC000393759473 357296732 /nfs/dbraw/zinc/29/67/32/357296732.db2.gz VJNMCGUJQMXNLL-LLVKDONJSA-N 2 1 230.352 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CCC(C)(C)O)C1CC1 ZINC000393759473 357296733 /nfs/dbraw/zinc/29/67/33/357296733.db2.gz VJNMCGUJQMXNLL-LLVKDONJSA-N 2 1 230.352 0.192 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000393772063 357298491 /nfs/dbraw/zinc/29/84/91/357298491.db2.gz HRTGSVXWGRAGGA-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000393772063 357298493 /nfs/dbraw/zinc/29/84/93/357298493.db2.gz HRTGSVXWGRAGGA-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000393772063 357298496 /nfs/dbraw/zinc/29/84/96/357298496.db2.gz HRTGSVXWGRAGGA-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000393772063 357298497 /nfs/dbraw/zinc/29/84/97/357298497.db2.gz HRTGSVXWGRAGGA-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](OC)C1 ZINC000393887396 357305692 /nfs/dbraw/zinc/30/56/92/357305692.db2.gz VCDZRFXZGJOCHM-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](OC)C1 ZINC000393887396 357305697 /nfs/dbraw/zinc/30/56/97/357305697.db2.gz VCDZRFXZGJOCHM-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000393887396 357305703 /nfs/dbraw/zinc/30/57/03/357305703.db2.gz VCDZRFXZGJOCHM-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000393887396 357305707 /nfs/dbraw/zinc/30/57/07/357305707.db2.gz VCDZRFXZGJOCHM-FRRDWIJNSA-N 2 1 244.379 0.656 20 0 BCADMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1=O ZINC000582540654 357338911 /nfs/dbraw/zinc/33/89/11/357338911.db2.gz OAMQTKKRBPIREK-JCIQBVFBSA-N 2 1 237.347 0.465 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582617382 357354452 /nfs/dbraw/zinc/35/44/52/357354452.db2.gz VGLPPFYZNIJRJG-GXSJLCMTSA-N 2 1 225.336 0.289 20 0 BCADMP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408516 357405792 /nfs/dbraw/zinc/40/57/92/357405792.db2.gz YVTXJHWIHXAAGY-NWDGAFQWSA-N 2 1 243.395 0.371 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH2+]CC1 ZINC000582962555 357439087 /nfs/dbraw/zinc/43/90/87/357439087.db2.gz HWDDLWVFMVEERQ-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](O)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000583079825 357473809 /nfs/dbraw/zinc/47/38/09/357473809.db2.gz NIZKBAUJMVBVST-NWDGAFQWSA-N 2 1 243.395 0.371 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396554966 357480992 /nfs/dbraw/zinc/48/09/92/357480992.db2.gz GFDPPAONRXSFPA-GMTAPVOTSA-N 2 1 200.326 0.999 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771988 491112628 /nfs/dbraw/zinc/11/26/28/491112628.db2.gz STHNFRXHDIYIJL-SECBINFHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1CCn1ccnc1 ZINC000189345803 357633408 /nfs/dbraw/zinc/63/34/08/357633408.db2.gz BRBSGNMXRNUUJT-JTQLQIEISA-N 2 1 222.292 0.094 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065019 357808575 /nfs/dbraw/zinc/80/85/75/357808575.db2.gz PKPCVGPWLQINQB-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(N)=O ZINC000191715479 357789380 /nfs/dbraw/zinc/78/93/80/357789380.db2.gz NRRQFTZUOQVBQW-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(N)=O ZINC000191715479 357789382 /nfs/dbraw/zinc/78/93/82/357789382.db2.gz NRRQFTZUOQVBQW-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022196 357829536 /nfs/dbraw/zinc/82/95/36/357829536.db2.gz DUPWIAHDGFILAL-KGYLQXTDSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022196 357829539 /nfs/dbraw/zinc/82/95/39/357829539.db2.gz DUPWIAHDGFILAL-KGYLQXTDSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022197 357830018 /nfs/dbraw/zinc/83/00/18/357830018.db2.gz DUPWIAHDGFILAL-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022197 357830022 /nfs/dbraw/zinc/83/00/22/357830022.db2.gz DUPWIAHDGFILAL-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022197 357830024 /nfs/dbraw/zinc/83/00/24/357830024.db2.gz DUPWIAHDGFILAL-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022197 357830029 /nfs/dbraw/zinc/83/00/29/357830029.db2.gz DUPWIAHDGFILAL-RAIGVLPGSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022199 357830156 /nfs/dbraw/zinc/83/01/56/357830156.db2.gz DUPWIAHDGFILAL-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022199 357830161 /nfs/dbraw/zinc/83/01/61/357830161.db2.gz DUPWIAHDGFILAL-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000398022199 357830165 /nfs/dbraw/zinc/83/01/65/357830165.db2.gz DUPWIAHDGFILAL-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000398022199 357830167 /nfs/dbraw/zinc/83/01/67/357830167.db2.gz DUPWIAHDGFILAL-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[N@H+]1C ZINC000399068237 357895298 /nfs/dbraw/zinc/89/52/98/357895298.db2.gz MZBKUDXFLSFRLO-JLLWLGSASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192985096 357863515 /nfs/dbraw/zinc/86/35/15/357863515.db2.gz YGRFFFNXUVEJEC-VXGBXAGGSA-N 2 1 212.337 0.785 20 0 BCADMP CO[C@@H]1CN(Cc2cncn2C)[C@](C)(CO)C1 ZINC000640003397 358046217 /nfs/dbraw/zinc/04/62/17/358046217.db2.gz OCUPHRQEUMELDP-RYUDHWBXSA-N 2 1 239.319 0.392 20 0 BCADMP CO[C@H]1CN(Cc2cncn2C)[C@@](C)(CO)C1 ZINC000640003399 358046820 /nfs/dbraw/zinc/04/68/20/358046820.db2.gz OCUPHRQEUMELDP-VXGBXAGGSA-N 2 1 239.319 0.392 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217557133 134248334 /nfs/dbraw/zinc/24/83/34/134248334.db2.gz WFWTVYHPLGVXML-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217557133 134248335 /nfs/dbraw/zinc/24/83/35/134248335.db2.gz WFWTVYHPLGVXML-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP CCC1([NH+](C)C)CC[NH+](CCO)CC1 ZINC000640017365 358080657 /nfs/dbraw/zinc/08/06/57/358080657.db2.gz FHWJVCFCWPTFBK-UHFFFAOYSA-N 2 1 200.326 0.785 20 0 BCADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065694 358154009 /nfs/dbraw/zinc/15/40/09/358154009.db2.gz ZSRIVVNBRVZYDB-NEPJUHHUSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nncn1C ZINC000222941427 358216541 /nfs/dbraw/zinc/21/65/41/358216541.db2.gz GDKLXWJGJDFOQN-IVZWLZJFSA-N 2 1 223.324 0.736 20 0 BCADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000224048454 358231269 /nfs/dbraw/zinc/23/12/69/358231269.db2.gz NFYLOMHXYHSCDJ-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000040624520 358244206 /nfs/dbraw/zinc/24/42/06/358244206.db2.gz SVKFRZZPTLHQFQ-LLVKDONJSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1cnn(C)c1C[N@@H+](C)CC1CN(C)C1 ZINC000668538499 491127238 /nfs/dbraw/zinc/12/72/38/491127238.db2.gz AUXGMDFBBQFBAS-UHFFFAOYSA-N 2 1 222.336 0.722 20 0 BCADMP Cc1cnn(C)c1C[N@H+](C)CC1CN(C)C1 ZINC000668538499 491127239 /nfs/dbraw/zinc/12/72/39/491127239.db2.gz AUXGMDFBBQFBAS-UHFFFAOYSA-N 2 1 222.336 0.722 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225480726 358301308 /nfs/dbraw/zinc/30/13/08/358301308.db2.gz ZSVVJKNOVIULRY-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225480726 358301311 /nfs/dbraw/zinc/30/13/11/358301311.db2.gz ZSVVJKNOVIULRY-WOPDTQHZSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226396603 358337946 /nfs/dbraw/zinc/33/79/46/358337946.db2.gz BGJPUERENPFPBQ-YPMHNXCESA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226401746 358339252 /nfs/dbraw/zinc/33/92/52/358339252.db2.gz BPZITIVFACUFMC-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226401746 358339256 /nfs/dbraw/zinc/33/92/56/358339256.db2.gz BPZITIVFACUFMC-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH2+]C1CC1 ZINC000229094528 358345006 /nfs/dbraw/zinc/34/50/06/358345006.db2.gz FHVDANAHPWOUTJ-UHFFFAOYSA-N 2 1 227.352 0.587 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(C(=O)OC)CC1 ZINC000042409142 358347286 /nfs/dbraw/zinc/34/72/86/358347286.db2.gz TULQQGJQZPBMCU-UHFFFAOYSA-N 2 1 214.309 0.481 20 0 BCADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000613661110 363607404 /nfs/dbraw/zinc/60/74/04/363607404.db2.gz SQENPHNNNAPWIX-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000044538894 358389634 /nfs/dbraw/zinc/38/96/34/358389634.db2.gz QJVIIWQMZRPEDV-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CO[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000230316188 358397587 /nfs/dbraw/zinc/39/75/87/358397587.db2.gz KJXZPWAMAMHHED-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427569 358437111 /nfs/dbraw/zinc/43/71/11/358437111.db2.gz DFQKODREZNSWOO-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(C)=O ZINC000125554584 358541912 /nfs/dbraw/zinc/54/19/12/358541912.db2.gz DEDALUOAGAOXES-ZDUSSCGKSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000086271921 358573601 /nfs/dbraw/zinc/57/36/01/358573601.db2.gz GFBFLVOYQARZMK-GXSJLCMTSA-N 2 1 225.336 0.195 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH+](C)C ZINC000175454114 134287074 /nfs/dbraw/zinc/28/70/74/134287074.db2.gz CNQYDSGFGIHVKQ-UHFFFAOYSA-N 2 1 215.341 0.396 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@H+]1C ZINC000132354568 491135546 /nfs/dbraw/zinc/13/55/46/491135546.db2.gz MLMJIWKPROKQQN-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000050068897 358712472 /nfs/dbraw/zinc/71/24/72/358712472.db2.gz SPLVXLXUQNLBEO-JTQLQIEISA-N 2 1 239.319 0.932 20 0 BCADMP COC(=O)[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000050068897 358712473 /nfs/dbraw/zinc/71/24/73/358712473.db2.gz SPLVXLXUQNLBEO-JTQLQIEISA-N 2 1 239.319 0.932 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249238 358721866 /nfs/dbraw/zinc/72/18/66/358721866.db2.gz BSGMAVHROQMZIH-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249238 358721870 /nfs/dbraw/zinc/72/18/70/358721870.db2.gz BSGMAVHROQMZIH-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132927088 358739438 /nfs/dbraw/zinc/73/94/38/358739438.db2.gz OUZCBRTVRAXPCX-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000132910826 358739491 /nfs/dbraw/zinc/73/94/91/358739491.db2.gz VVJQTHGYTYXNMY-QWRGUYRKSA-N 2 1 225.336 0.468 20 0 BCADMP CCC[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298657 358821007 /nfs/dbraw/zinc/82/10/07/358821007.db2.gz NMAJRCMPUCQILQ-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000220073790 134299158 /nfs/dbraw/zinc/29/91/58/134299158.db2.gz BFSFJXYBRDPNOU-LLVKDONJSA-N 2 1 229.368 0.818 20 0 BCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000070944672 359066532 /nfs/dbraw/zinc/06/65/32/359066532.db2.gz UYULLBAZWHOWEH-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246489952 359121012 /nfs/dbraw/zinc/12/10/12/359121012.db2.gz HBLRCYCVDMDGMP-WCQYABFASA-N 2 1 224.348 0.927 20 0 BCADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423520751 192801001 /nfs/dbraw/zinc/80/10/01/192801001.db2.gz QFQWHIFPRUZXAA-AGIUHOORSA-N 2 1 223.364 0.668 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454904 359616275 /nfs/dbraw/zinc/61/62/75/359616275.db2.gz SZUJMUSPYWWFGH-ZJUUUORDSA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578364848 366539496 /nfs/dbraw/zinc/53/94/96/366539496.db2.gz KUZCANZJRPBDQN-ZJUUUORDSA-N 2 1 215.341 0.570 20 0 BCADMP Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000450959544 202321909 /nfs/dbraw/zinc/32/19/09/202321909.db2.gz YORVMBQMVFRWSV-LBPRGKRZSA-N 2 1 235.331 0.893 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868057 366661332 /nfs/dbraw/zinc/66/13/32/366661332.db2.gz OBDSILKYCFJVMO-JHJVBQTASA-N 2 1 241.379 0.376 20 0 BCADMP CNC(=O)CCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694248 360084367 /nfs/dbraw/zinc/08/43/67/360084367.db2.gz OJOBJSGNMRVHBK-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP C([NH2+]C1CCOCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000090714980 360085631 /nfs/dbraw/zinc/08/56/31/360085631.db2.gz BMAVSVPZKIFZSH-STQMWFEESA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+]C1CCOCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000090714980 360085633 /nfs/dbraw/zinc/08/56/33/360085633.db2.gz BMAVSVPZKIFZSH-STQMWFEESA-N 2 1 240.347 0.618 20 0 BCADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)COC1 ZINC000091668457 360123360 /nfs/dbraw/zinc/12/33/60/360123360.db2.gz KJBRTVHHOFOSIC-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)COC1 ZINC000091668457 360123365 /nfs/dbraw/zinc/12/33/65/360123365.db2.gz KJBRTVHHOFOSIC-VXGBXAGGSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](CCNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879843 360151930 /nfs/dbraw/zinc/15/19/30/360151930.db2.gz DMDBPDDLDNKJCX-LBPRGKRZSA-N 2 1 240.351 0.132 20 0 BCADMP CN(Cc1cnnn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253405 360159443 /nfs/dbraw/zinc/15/94/43/360159443.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 1 237.351 0.589 20 0 BCADMP Cn1nncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088670 360217199 /nfs/dbraw/zinc/21/71/99/360217199.db2.gz LZAZOOYISYTTOM-UHFFFAOYSA-N 2 1 237.351 0.589 20 0 BCADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000614124090 363724253 /nfs/dbraw/zinc/72/42/53/363724253.db2.gz JKOXANAEPVKHFE-PHIMTYICSA-N 2 1 237.347 0.101 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623478367 360434004 /nfs/dbraw/zinc/43/40/04/360434004.db2.gz JGZHPDWSQYRHIY-RYUDHWBXSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000306588953 360494424 /nfs/dbraw/zinc/49/44/24/360494424.db2.gz WGPXBAIVRMIXDW-ZNSHCXBVSA-N 2 1 200.326 0.672 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+](C)C ZINC000628750236 360629799 /nfs/dbraw/zinc/62/97/99/360629799.db2.gz OHAAFXJUFMTZKD-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629407584 361055543 /nfs/dbraw/zinc/05/55/43/361055543.db2.gz FDINJDNQGNNXAZ-ZDEQEGDKSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000629450833 361076622 /nfs/dbraw/zinc/07/66/22/361076622.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000629450833 361076624 /nfs/dbraw/zinc/07/66/24/361076624.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000629450833 361076626 /nfs/dbraw/zinc/07/66/26/361076626.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000629518367 361117729 /nfs/dbraw/zinc/11/77/29/361117729.db2.gz HWJYSHVBPBOGHA-SDDRHHMPSA-N 2 1 249.362 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000629518367 361117731 /nfs/dbraw/zinc/11/77/31/361117731.db2.gz HWJYSHVBPBOGHA-SDDRHHMPSA-N 2 1 249.362 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000629518369 361117753 /nfs/dbraw/zinc/11/77/53/361117753.db2.gz HWJYSHVBPBOGHA-TUAOUCFPSA-N 2 1 249.362 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000629518369 361117754 /nfs/dbraw/zinc/11/77/54/361117754.db2.gz HWJYSHVBPBOGHA-TUAOUCFPSA-N 2 1 249.362 0.776 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629501861 361101195 /nfs/dbraw/zinc/10/11/95/361101195.db2.gz QBLYSXUOLINHEU-PHIMTYICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]1C[N@@H+](CCOC2CCOCC2)CC[C@H]1[NH3+] ZINC000629510268 361107647 /nfs/dbraw/zinc/10/76/47/361107647.db2.gz PDHDLIHDOQNCTF-WCQYABFASA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516083 361110210 /nfs/dbraw/zinc/11/02/10/361110210.db2.gz WZVOEYIJJUVGSA-NWDGAFQWSA-N 3 1 241.379 0.615 20 0 BCADMP CCn1nnc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000629516446 361114046 /nfs/dbraw/zinc/11/40/46/361114046.db2.gz GAIXHRMQGPTNPY-KOLCDFICSA-N 2 1 237.351 0.776 20 0 BCADMP CCn1nnc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000629516446 361114048 /nfs/dbraw/zinc/11/40/48/361114048.db2.gz GAIXHRMQGPTNPY-KOLCDFICSA-N 2 1 237.351 0.776 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629517071 361115002 /nfs/dbraw/zinc/11/50/02/361115002.db2.gz ZVIMKHHWAIWXOX-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(C)(C)C ZINC000629517071 361115006 /nfs/dbraw/zinc/11/50/06/361115006.db2.gz ZVIMKHHWAIWXOX-QWRGUYRKSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cnn(C)c1 ZINC000629522373 361123388 /nfs/dbraw/zinc/12/33/88/361123388.db2.gz YGEHQCNKCYFRNS-SNVBAGLBSA-N 2 1 238.335 0.579 20 0 BCADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629525606 361125524 /nfs/dbraw/zinc/12/55/24/361125524.db2.gz XMMOFIJKEWEUNF-VIFPVBQESA-N 2 1 238.335 0.877 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000629525179 361125546 /nfs/dbraw/zinc/12/55/46/361125546.db2.gz YLSQZOOGABVXDW-XWLWVQCSSA-N 2 1 225.336 0.371 20 0 BCADMP OC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000629534100 361164227 /nfs/dbraw/zinc/16/42/27/361164227.db2.gz LVJSGTKLISBYAP-VXGBXAGGSA-N 2 1 240.347 0.212 20 0 BCADMP OC1(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CCOCC1 ZINC000629534100 361164231 /nfs/dbraw/zinc/16/42/31/361164231.db2.gz LVJSGTKLISBYAP-VXGBXAGGSA-N 2 1 240.347 0.212 20 0 BCADMP CNC(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000574999689 361255513 /nfs/dbraw/zinc/25/55/13/361255513.db2.gz LWDHZBUFUMRXFW-UHFFFAOYSA-N 2 1 224.308 0.031 20 0 BCADMP CNC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574999689 361255521 /nfs/dbraw/zinc/25/55/21/361255521.db2.gz LWDHZBUFUMRXFW-UHFFFAOYSA-N 2 1 224.308 0.031 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482129 361267936 /nfs/dbraw/zinc/26/79/36/361267936.db2.gz PRCNSPJINOPDDJ-RYUDHWBXSA-N 2 1 221.304 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482129 361267941 /nfs/dbraw/zinc/26/79/41/361267941.db2.gz PRCNSPJINOPDDJ-RYUDHWBXSA-N 2 1 221.304 0.648 20 0 BCADMP CNC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532353 361302250 /nfs/dbraw/zinc/30/22/50/361302250.db2.gz XXPAJMIVJVHQKN-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000250940021 181328450 /nfs/dbraw/zinc/32/84/50/181328450.db2.gz ZECYPNUATXVLCZ-GHMZBOCLSA-N 2 1 237.347 0.611 20 0 BCADMP C[C@H]([NH3+])CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000622044481 370677268 /nfs/dbraw/zinc/67/72/68/370677268.db2.gz HPPGHLYDAIBBNI-WCQGTBRESA-N 2 1 227.352 0.080 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428518750 201026200 /nfs/dbraw/zinc/02/62/00/201026200.db2.gz SINLHUBJVCZDLZ-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP C[N@H+](CC(=O)NC(C)(C)C[NH3+])Cc1ccccc1 ZINC000428918521 201048852 /nfs/dbraw/zinc/04/88/52/201048852.db2.gz FVXBMPFVBBRIKA-UHFFFAOYSA-N 2 1 249.358 0.972 20 0 BCADMP C[N@@H+](CC(=O)NC(C)(C)C[NH3+])Cc1ccccc1 ZINC000428918521 201048855 /nfs/dbraw/zinc/04/88/55/201048855.db2.gz FVXBMPFVBBRIKA-UHFFFAOYSA-N 2 1 249.358 0.972 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950104 201051089 /nfs/dbraw/zinc/05/10/89/201051089.db2.gz DDVVLYLHULQPSB-VXGBXAGGSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429132792 201070299 /nfs/dbraw/zinc/07/02/99/201070299.db2.gz FMIUTMAJBGWRJN-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000429156113 201073804 /nfs/dbraw/zinc/07/38/04/201073804.db2.gz DSVIABNYWCJSCU-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954364 201052210 /nfs/dbraw/zinc/05/22/10/201052210.db2.gz IIEKNKOSGXTBCU-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000428977466 201054651 /nfs/dbraw/zinc/05/46/51/201054651.db2.gz NFZLBKUDNHSJBR-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429069030 201065780 /nfs/dbraw/zinc/06/57/80/201065780.db2.gz OURVRJBHQNGTKW-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429069028 201066847 /nfs/dbraw/zinc/06/68/47/201066847.db2.gz OURVRJBHQNGTKW-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000614332211 363787281 /nfs/dbraw/zinc/78/72/81/363787281.db2.gz URHJKNGZAUWTNR-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000036757315 361396110 /nfs/dbraw/zinc/39/61/10/361396110.db2.gz HUPMCSUJBHQQFW-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000429289535 201096934 /nfs/dbraw/zinc/09/69/34/201096934.db2.gz BZEWFNDIAVBHGW-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429554773 201116125 /nfs/dbraw/zinc/11/61/25/201116125.db2.gz CGMVEMKBCXYAJZ-UMNHJUIQSA-N 2 1 239.363 0.713 20 0 BCADMP [NH3+]CCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000629539991 361413413 /nfs/dbraw/zinc/41/34/13/361413413.db2.gz SYNTWYBGOROQHT-UHFFFAOYSA-N 3 1 241.379 0.568 20 0 BCADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000579452070 366805332 /nfs/dbraw/zinc/80/53/32/366805332.db2.gz OTQIGUYHKYJDKU-JTQLQIEISA-N 2 1 240.351 0.132 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000579475456 366823634 /nfs/dbraw/zinc/82/36/34/366823634.db2.gz VTYPWSVMABGRHO-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629556565 361450081 /nfs/dbraw/zinc/45/00/81/361450081.db2.gz SLBTZNDENFJXAG-AVGNSLFASA-N 2 1 241.379 0.173 20 0 BCADMP C1C[C@@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629553615 361438873 /nfs/dbraw/zinc/43/88/73/361438873.db2.gz BMVSODYCIXCVSY-WRWGMCAJSA-N 2 1 209.337 0.326 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551965 361444267 /nfs/dbraw/zinc/44/42/67/361444267.db2.gz YQJDENBXVDVLJQ-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP CCOCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584145 361468966 /nfs/dbraw/zinc/46/89/66/361468966.db2.gz PJLDUHZMOZNWHT-TXEJJXNPSA-N 2 1 212.337 0.954 20 0 BCADMP CO[C@@H](C[N@@H+](C)CCOCC[NH3+])C1CCC1 ZINC000629581348 361470816 /nfs/dbraw/zinc/47/08/16/361470816.db2.gz XERVYMXUZSHGAN-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629580994 361471162 /nfs/dbraw/zinc/47/11/62/361471162.db2.gz JHLNEZCSKALLRZ-UHFFFAOYSA-N 2 1 245.367 0.056 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629580994 361471166 /nfs/dbraw/zinc/47/11/66/361471166.db2.gz JHLNEZCSKALLRZ-UHFFFAOYSA-N 2 1 245.367 0.056 20 0 BCADMP COC[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584673 361473925 /nfs/dbraw/zinc/47/39/25/361473925.db2.gz DADJCHNHDGVAMX-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629593188 361484944 /nfs/dbraw/zinc/48/49/44/361484944.db2.gz HQRBVDUVWNBVEJ-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000629617344 361512113 /nfs/dbraw/zinc/51/21/13/361512113.db2.gz VSZRCRZNBWJPPP-RTXFEEFZSA-N 2 1 242.363 0.456 20 0 BCADMP CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629617344 361512116 /nfs/dbraw/zinc/51/21/16/361512116.db2.gz VSZRCRZNBWJPPP-RTXFEEFZSA-N 2 1 242.363 0.456 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC=CC1)C1CC1 ZINC000629609934 361498029 /nfs/dbraw/zinc/49/80/29/361498029.db2.gz XUHXNHPXHHRATR-CYBMUJFWSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC=CC1)C1CC1 ZINC000629609934 361498035 /nfs/dbraw/zinc/49/80/35/361498035.db2.gz XUHXNHPXHHRATR-CYBMUJFWSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H](O)C[NH3+] ZINC000629648023 361539022 /nfs/dbraw/zinc/53/90/22/361539022.db2.gz FFCCZBCSCCEWBG-CYBMUJFWSA-N 2 1 248.326 0.714 20 0 BCADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@H](O)C[NH3+] ZINC000629648023 361539027 /nfs/dbraw/zinc/53/90/27/361539027.db2.gz FFCCZBCSCCEWBG-CYBMUJFWSA-N 2 1 248.326 0.714 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660313 361565849 /nfs/dbraw/zinc/56/58/49/361565849.db2.gz RJRRLUUTVOSUDB-ZYHUDNBSSA-N 3 1 211.353 0.716 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629653185 361553148 /nfs/dbraw/zinc/55/31/48/361553148.db2.gz HSTSBYPFUDMAGI-QWHCGFSZSA-N 3 1 243.395 0.542 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000629653793 361554758 /nfs/dbraw/zinc/55/47/58/361554758.db2.gz NRYGZPWKOPCJBP-LBPRGKRZSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000629653793 361554761 /nfs/dbraw/zinc/55/47/61/361554761.db2.gz NRYGZPWKOPCJBP-LBPRGKRZSA-N 2 1 229.368 0.154 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663336 361595483 /nfs/dbraw/zinc/59/54/83/361595483.db2.gz IJYVBEWMSRMUNN-NWDGAFQWSA-N 3 1 229.368 0.282 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663339 361595788 /nfs/dbraw/zinc/59/57/88/361595788.db2.gz IJYVBEWMSRMUNN-RYUDHWBXSA-N 3 1 229.368 0.282 20 0 BCADMP Cc1ccc(O)c(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629665945 361587748 /nfs/dbraw/zinc/58/77/48/361587748.db2.gz YRIPSFYLGYZICU-UHFFFAOYSA-N 2 1 239.319 0.503 20 0 BCADMP Cn1ccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629667194 361588974 /nfs/dbraw/zinc/58/89/74/361588974.db2.gz VMZNFUJXZICIPR-UHFFFAOYSA-N 2 1 211.309 0.432 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000434697416 201233200 /nfs/dbraw/zinc/23/32/00/201233200.db2.gz ONEBIJKOORCXIB-NHCYSSNCSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000434682311 201234027 /nfs/dbraw/zinc/23/40/27/201234027.db2.gz VUJQZIQAQDETFM-PWSUYJOCSA-N 2 1 239.363 0.809 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434712118 201237634 /nfs/dbraw/zinc/23/76/34/201237634.db2.gz UEDDKRYXIAPOLE-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP [NH3+]C1CCC(NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000051694771 181341274 /nfs/dbraw/zinc/34/12/74/181341274.db2.gz SNDWANXZBCPDSE-HACHORDNSA-N 2 1 229.349 0.035 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435756989 201286529 /nfs/dbraw/zinc/28/65/29/201286529.db2.gz WSDSSRIELTZZQG-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]CCCN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000435872711 201291585 /nfs/dbraw/zinc/29/15/85/201291585.db2.gz QEDIVSVOWZNVDU-GFCCVEGCSA-N 2 1 229.368 0.248 20 0 BCADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C ZINC000435886402 201296013 /nfs/dbraw/zinc/29/60/13/201296013.db2.gz WVVPUHYUHKCKGF-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435886402 201296015 /nfs/dbraw/zinc/29/60/15/201296015.db2.gz WVVPUHYUHKCKGF-LBPRGKRZSA-N 2 1 241.379 0.929 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000435885486 201296527 /nfs/dbraw/zinc/29/65/27/201296527.db2.gz KRGCUNRYXQHWJR-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000155695325 201345057 /nfs/dbraw/zinc/34/50/57/201345057.db2.gz PVXFZGHFFQRGIC-FOGDFJRCSA-N 2 1 241.379 0.959 20 0 BCADMP NC(=[NH2+])NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000630387063 364101401 /nfs/dbraw/zinc/10/14/01/364101401.db2.gz GFNBLNUVTOTTLD-JTQLQIEISA-N 2 1 210.325 0.876 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000372419816 181357752 /nfs/dbraw/zinc/35/77/52/181357752.db2.gz DYMNQLPZQXIQRP-QMMMGPOBSA-N 2 1 247.289 0.086 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000170757651 364167234 /nfs/dbraw/zinc/16/72/34/364167234.db2.gz MXYQMHCLGKTFNW-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000615184434 364612629 /nfs/dbraw/zinc/61/26/29/364612629.db2.gz HTEVNUADDAVBFZ-WDEREUQCSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000615184434 364612635 /nfs/dbraw/zinc/61/26/35/364612635.db2.gz HTEVNUADDAVBFZ-WDEREUQCSA-N 2 1 237.347 0.243 20 0 BCADMP [NH3+]CCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000237857772 181368151 /nfs/dbraw/zinc/36/81/51/181368151.db2.gz RTVVKRZLCJXYOT-UHFFFAOYSA-N 2 1 247.342 0.510 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037023782 181368630 /nfs/dbraw/zinc/36/86/30/181368630.db2.gz MUROODXZZZXBHU-UWVGGRQHSA-N 2 1 211.309 0.078 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615310746 364685437 /nfs/dbraw/zinc/68/54/37/364685437.db2.gz XUXYPARZLJGXNB-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615310747 364685454 /nfs/dbraw/zinc/68/54/54/364685454.db2.gz XUXYPARZLJGXNB-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP [NH3+]CCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812737 181371090 /nfs/dbraw/zinc/37/10/90/181371090.db2.gz YFKNVVMKMRKVHX-NSHDSACASA-N 2 1 225.336 0.422 20 0 BCADMP [NH3+]CCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812625 181371193 /nfs/dbraw/zinc/37/11/93/181371193.db2.gz XNYJLDFKTGFSTE-SNVBAGLBSA-N 2 1 211.309 0.032 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328187967 364816570 /nfs/dbraw/zinc/81/65/70/364816570.db2.gz OPDRJIUDXFFHGY-UTUOFQBUSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328187967 364816573 /nfs/dbraw/zinc/81/65/73/364816573.db2.gz OPDRJIUDXFFHGY-UTUOFQBUSA-N 2 1 212.337 0.961 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1CCC[NH+]1CCOCC1 ZINC000573448882 364836377 /nfs/dbraw/zinc/83/63/77/364836377.db2.gz LFQJFOHTOGPERQ-RYUDHWBXSA-N 2 1 227.352 0.130 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000573449052 364836480 /nfs/dbraw/zinc/83/64/80/364836480.db2.gz MXSMRLVQWLSUGQ-VIFPVBQESA-N 2 1 249.305 0.394 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000573449052 364836481 /nfs/dbraw/zinc/83/64/81/364836481.db2.gz MXSMRLVQWLSUGQ-VIFPVBQESA-N 2 1 249.305 0.394 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573487232 364845496 /nfs/dbraw/zinc/84/54/96/364845496.db2.gz BNMDTEZGNLUQRJ-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573487233 364845708 /nfs/dbraw/zinc/84/57/08/364845708.db2.gz BNMDTEZGNLUQRJ-RYUDHWBXSA-N 2 1 239.363 0.714 20 0 BCADMP CCOCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000573597257 364871204 /nfs/dbraw/zinc/87/12/04/364871204.db2.gz ZPUQHJAIHKWLEO-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726748 181372852 /nfs/dbraw/zinc/37/28/52/181372852.db2.gz SUOAUHSTMZGWGL-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP OC[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000573879145 364937206 /nfs/dbraw/zinc/93/72/06/364937206.db2.gz RZMRKOCWAIJRSP-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000573879145 364937210 /nfs/dbraw/zinc/93/72/10/364937210.db2.gz RZMRKOCWAIJRSP-OLZOCXBDSA-N 2 1 242.363 0.147 20 0 BCADMP [NH3+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000368430162 181382236 /nfs/dbraw/zinc/38/22/36/181382236.db2.gz UAGKVQKPOAHDNF-QWRGUYRKSA-N 2 1 225.336 0.326 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N(C)C ZINC000168986336 365048322 /nfs/dbraw/zinc/04/83/22/365048322.db2.gz BSCIRPNBNUPIBX-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689495 365120790 /nfs/dbraw/zinc/12/07/90/365120790.db2.gz JVKNFRXJFDQDJP-GRYCIOLGSA-N 2 1 237.347 0.149 20 0 BCADMP CO[C@H]1C[C@@H](N(C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000574879994 365167046 /nfs/dbraw/zinc/16/70/46/365167046.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 1 242.363 0.551 20 0 BCADMP CO[C@H]1C[C@@H](N(C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000574879994 365167055 /nfs/dbraw/zinc/16/70/55/365167055.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 1 242.363 0.551 20 0 BCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181824 193039594 /nfs/dbraw/zinc/03/95/94/193039594.db2.gz JXKRIXUMVLIWNC-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000444180242 193039662 /nfs/dbraw/zinc/03/96/62/193039662.db2.gz HENHVTASWFKRPQ-NQBHXWOUSA-N 2 1 237.347 0.054 20 0 BCADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000444168553 193039694 /nfs/dbraw/zinc/03/96/94/193039694.db2.gz PCSQAVOPNWGIFV-MBNYWOFBSA-N 2 1 249.358 0.293 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444192256 193041804 /nfs/dbraw/zinc/04/18/04/193041804.db2.gz YNSMAICPZHYSEZ-SNVBAGLBSA-N 2 1 213.325 0.196 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444274056 193043272 /nfs/dbraw/zinc/04/32/72/193043272.db2.gz WYRNVDRZXWGVRK-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379786953 365269931 /nfs/dbraw/zinc/26/99/31/365269931.db2.gz IDXUOOLJPAYNDZ-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379786953 365269937 /nfs/dbraw/zinc/26/99/37/365269937.db2.gz IDXUOOLJPAYNDZ-ADEWGFFLSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@H]1C(=O)NCCN1CCCc1c[nH+]cn1C ZINC000575759672 365356635 /nfs/dbraw/zinc/35/66/35/365356635.db2.gz UWTIHJSKENDVEC-JTQLQIEISA-N 2 1 236.319 0.173 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000575923853 365415085 /nfs/dbraw/zinc/41/50/85/365415085.db2.gz NNLHJLDZCQHOGT-HBNTYKKESA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000575923852 365416599 /nfs/dbraw/zinc/41/65/99/365416599.db2.gz NNLHJLDZCQHOGT-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000575868744 365396418 /nfs/dbraw/zinc/39/64/18/365396418.db2.gz KLPFCMOZVWIHHS-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575868744 365396420 /nfs/dbraw/zinc/39/64/20/365396420.db2.gz KLPFCMOZVWIHHS-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000575868743 365396486 /nfs/dbraw/zinc/39/64/86/365396486.db2.gz KLPFCMOZVWIHHS-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575868743 365396489 /nfs/dbraw/zinc/39/64/89/365396489.db2.gz KLPFCMOZVWIHHS-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CNC(=O)CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575878885 365404153 /nfs/dbraw/zinc/40/41/53/365404153.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CNC(=O)CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575878885 365404156 /nfs/dbraw/zinc/40/41/56/365404156.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 1 225.336 0.291 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000173881504 365453764 /nfs/dbraw/zinc/45/37/64/365453764.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C1C[NH2+]C1 ZINC000579593676 366897362 /nfs/dbraw/zinc/89/73/62/366897362.db2.gz DFDKQCROGCZHNQ-GXSJLCMTSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607612 366906249 /nfs/dbraw/zinc/90/62/49/366906249.db2.gz HEJJKKAMYXUJPR-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CCN1CC[C@@H]1CC[NH2+]C1 ZINC000579607612 366906256 /nfs/dbraw/zinc/90/62/56/366906256.db2.gz HEJJKKAMYXUJPR-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[NH+](C)CCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000579730249 366996704 /nfs/dbraw/zinc/99/67/04/366996704.db2.gz SYEVLUBEYSODEE-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579853028 367051724 /nfs/dbraw/zinc/05/17/24/367051724.db2.gz ABIUYGZFXROWPX-QWRGUYRKSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579853765 367053202 /nfs/dbraw/zinc/05/32/02/367053202.db2.gz AKSXQTHWIKMLKA-NEPJUHHUSA-N 2 1 241.379 0.926 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080559 367257742 /nfs/dbraw/zinc/25/77/42/367257742.db2.gz VPUUAHAKAMQAQX-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080559 367257748 /nfs/dbraw/zinc/25/77/48/367257748.db2.gz VPUUAHAKAMQAQX-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080559 367257751 /nfs/dbraw/zinc/25/77/51/367257751.db2.gz VPUUAHAKAMQAQX-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000581080559 367257758 /nfs/dbraw/zinc/25/77/58/367257758.db2.gz VPUUAHAKAMQAQX-UTUOFQBUSA-N 2 1 230.352 0.408 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C1CCSCC1)C1CC1 ZINC000381051796 367344153 /nfs/dbraw/zinc/34/41/53/367344153.db2.gz IESZFVSMONKPTN-GFCCVEGCSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCSCC1)C1CC1 ZINC000381051796 367344156 /nfs/dbraw/zinc/34/41/56/367344156.db2.gz IESZFVSMONKPTN-GFCCVEGCSA-N 2 1 244.404 0.927 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000381063514 367345322 /nfs/dbraw/zinc/34/53/22/367345322.db2.gz LWBHNMZSBUWMEY-TUAOUCFPSA-N 2 1 230.352 0.314 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000381084337 367348396 /nfs/dbraw/zinc/34/83/96/367348396.db2.gz SIJGZIDUHOKPNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000381084337 367348400 /nfs/dbraw/zinc/34/84/00/367348400.db2.gz SIJGZIDUHOKPNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000381084337 367348406 /nfs/dbraw/zinc/34/84/06/367348406.db2.gz SIJGZIDUHOKPNS-GRYCIOLGSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381110711 367351892 /nfs/dbraw/zinc/35/18/92/367351892.db2.gz ZXKGPFATTPSSTN-VXGBXAGGSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381110711 367351896 /nfs/dbraw/zinc/35/18/96/367351896.db2.gz ZXKGPFATTPSSTN-VXGBXAGGSA-N 2 1 230.352 0.192 20 0 BCADMP COC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381221254 367366097 /nfs/dbraw/zinc/36/60/97/367366097.db2.gz GYVXUOMITKDPPV-GFCCVEGCSA-N 2 1 228.336 0.210 20 0 BCADMP COCCN(C)C[C@H](O)C[N@@H+](C)C(C)(C)C ZINC000382101932 367485304 /nfs/dbraw/zinc/48/53/04/367485304.db2.gz IVWVSJIJDHOJBV-NSHDSACASA-N 2 1 232.368 0.656 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186849 367496628 /nfs/dbraw/zinc/49/66/28/367496628.db2.gz HCOOTCNJKGDFRC-RNJOBUHISA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382186849 367496633 /nfs/dbraw/zinc/49/66/33/367496633.db2.gz HCOOTCNJKGDFRC-RNJOBUHISA-N 2 1 224.348 0.831 20 0 BCADMP COC[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000382573797 367542231 /nfs/dbraw/zinc/54/22/31/367542231.db2.gz UALXQSMLZWWODP-CYBMUJFWSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000382843513 367563416 /nfs/dbraw/zinc/56/34/16/367563416.db2.gz XTKWUJGTMDXBIP-YYJSSNLHSA-N 2 1 212.337 0.687 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000383486960 367627714 /nfs/dbraw/zinc/62/77/14/367627714.db2.gz BSSCMGKQAMDIKM-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000383486960 367627718 /nfs/dbraw/zinc/62/77/18/367627718.db2.gz BSSCMGKQAMDIKM-YPMHNXCESA-N 2 1 242.363 0.458 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000383496669 367628915 /nfs/dbraw/zinc/62/89/15/367628915.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000383496669 367628919 /nfs/dbraw/zinc/62/89/19/367628919.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000383490168 367629110 /nfs/dbraw/zinc/62/91/10/367629110.db2.gz AROHQUKLIDPFTK-AAEUAGOBSA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000383490168 367629111 /nfs/dbraw/zinc/62/91/11/367629111.db2.gz AROHQUKLIDPFTK-AAEUAGOBSA-N 2 1 244.379 0.392 20 0 BCADMP COCC[N@H+](C)C[C@H](O)Cn1c[nH+]c(C)c1C ZINC000383654721 367647551 /nfs/dbraw/zinc/64/75/51/367647551.db2.gz FGPJAYZVXOZOFF-LBPRGKRZSA-N 2 1 241.335 0.439 20 0 BCADMP COCC[N@@H+](C)C[C@H](O)Cn1c[nH+]c(C)c1C ZINC000383654721 367647557 /nfs/dbraw/zinc/64/75/57/367647557.db2.gz FGPJAYZVXOZOFF-LBPRGKRZSA-N 2 1 241.335 0.439 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000383758625 367651369 /nfs/dbraw/zinc/65/13/69/367651369.db2.gz LBTZIQDIQYUVQZ-NQBHXWOUSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000383758625 367651372 /nfs/dbraw/zinc/65/13/72/367651372.db2.gz LBTZIQDIQYUVQZ-NQBHXWOUSA-N 2 1 242.363 0.599 20 0 BCADMP Cc1nc[nH]c1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581675870 367704001 /nfs/dbraw/zinc/70/40/01/367704001.db2.gz GXHRLGHNYOXASY-VIFPVBQESA-N 2 1 236.319 0.676 20 0 BCADMP CN(C[C@@H](O)C[N@@H+](C)C1CCOCC1)C1CC1 ZINC000384029634 367669981 /nfs/dbraw/zinc/66/99/81/367669981.db2.gz LHLMXADTLYQRCI-CYBMUJFWSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCOCC1 ZINC000384029634 367669989 /nfs/dbraw/zinc/66/99/89/367669989.db2.gz LHLMXADTLYQRCI-CYBMUJFWSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCOCC1 ZINC000384029634 367669999 /nfs/dbraw/zinc/66/99/99/367669999.db2.gz LHLMXADTLYQRCI-CYBMUJFWSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCOCC1)C1CC1 ZINC000384029634 367670005 /nfs/dbraw/zinc/67/00/05/367670005.db2.gz LHLMXADTLYQRCI-CYBMUJFWSA-N 2 1 242.363 0.552 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCOCC1)C1CC1 ZINC000384029634 367670010 /nfs/dbraw/zinc/67/00/10/367670010.db2.gz LHLMXADTLYQRCI-CYBMUJFWSA-N 2 1 242.363 0.552 20 0 BCADMP COC(=O)CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000384720549 367721214 /nfs/dbraw/zinc/72/12/14/367721214.db2.gz HCMYJIJLHMCLMJ-UHFFFAOYSA-N 2 1 200.282 0.361 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384790699 367733209 /nfs/dbraw/zinc/73/32/09/367733209.db2.gz PUGDXPWBDHNSBO-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797463 367734459 /nfs/dbraw/zinc/73/44/59/367734459.db2.gz AUOCLZPORVFSPF-GMTAPVOTSA-N 2 1 223.320 0.043 20 0 BCADMP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000385966758 367891248 /nfs/dbraw/zinc/89/12/48/367891248.db2.gz ZPURBSAZQSWYAJ-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000385966758 367891256 /nfs/dbraw/zinc/89/12/56/367891256.db2.gz ZPURBSAZQSWYAJ-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CCn1ncnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386534912 367987032 /nfs/dbraw/zinc/98/70/32/367987032.db2.gz PWPRXMDGOXQAOM-TXEJJXNPSA-N 2 1 249.362 0.729 20 0 BCADMP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566243066 326022104 /nfs/dbraw/zinc/02/21/04/326022104.db2.gz SGXUHJUMPZWIGY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566243066 326022105 /nfs/dbraw/zinc/02/21/05/326022105.db2.gz SGXUHJUMPZWIGY-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000085283354 368864479 /nfs/dbraw/zinc/86/44/79/368864479.db2.gz CLDIMBXVPURQPP-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821239 368971973 /nfs/dbraw/zinc/97/19/73/368971973.db2.gz SHMFTEVLSJMPPA-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821239 368971979 /nfs/dbraw/zinc/97/19/79/368971979.db2.gz SHMFTEVLSJMPPA-JQWIXIFHSA-N 2 1 237.347 0.420 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000631822176 368975770 /nfs/dbraw/zinc/97/57/70/368975770.db2.gz VGJRWNVWSBZPBZ-CHWSQXEVSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000631822178 368976284 /nfs/dbraw/zinc/97/62/84/368976284.db2.gz VGJRWNVWSBZPBZ-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631838983 369123589 /nfs/dbraw/zinc/12/35/89/369123589.db2.gz XZSSSQYDWUNANU-GHMZBOCLSA-N 2 1 225.336 0.135 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631838983 369123596 /nfs/dbraw/zinc/12/35/96/369123596.db2.gz XZSSSQYDWUNANU-GHMZBOCLSA-N 2 1 225.336 0.135 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631837962 369107556 /nfs/dbraw/zinc/10/75/56/369107556.db2.gz HQUPWYBXXMZMDQ-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000631862260 369486602 /nfs/dbraw/zinc/48/66/02/369486602.db2.gz NMCJLPGFWAYSFK-QJPTWQEYSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000631862260 369486606 /nfs/dbraw/zinc/48/66/06/369486606.db2.gz NMCJLPGFWAYSFK-QJPTWQEYSA-N 2 1 227.352 0.129 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000459830185 203376837 /nfs/dbraw/zinc/37/68/37/203376837.db2.gz QJRQUVUEIXCZNS-SDDRHHMPSA-N 2 1 228.336 0.474 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000459830185 203376841 /nfs/dbraw/zinc/37/68/41/203376841.db2.gz QJRQUVUEIXCZNS-SDDRHHMPSA-N 2 1 228.336 0.474 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000619899225 369630844 /nfs/dbraw/zinc/63/08/44/369630844.db2.gz PMCLXLPFFWPJSH-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000619899225 369630846 /nfs/dbraw/zinc/63/08/46/369630846.db2.gz PMCLXLPFFWPJSH-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000619899225 369630849 /nfs/dbraw/zinc/63/08/49/369630849.db2.gz PMCLXLPFFWPJSH-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644859 370105341 /nfs/dbraw/zinc/10/53/41/370105341.db2.gz PKPCVGPWLQINQB-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000309833358 370259369 /nfs/dbraw/zinc/25/93/69/370259369.db2.gz ZFPMKYQWZAJWRZ-MNOVXSKESA-N 3 1 215.341 0.021 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)Cn1cccn1 ZINC000310218359 370322639 /nfs/dbraw/zinc/32/26/39/370322639.db2.gz FNZHXQHAVNVCSB-VXGBXAGGSA-N 2 1 240.351 0.174 20 0 BCADMP C[NH+](C[C@@H](O)CNCC[N@H+](C)C1CC1)C1CC1 ZINC000310530109 370350472 /nfs/dbraw/zinc/35/04/72/370350472.db2.gz NVWPDPUTHVMRDZ-ZDUSSCGKSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](CCNC[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000310530109 370350477 /nfs/dbraw/zinc/35/04/77/370350477.db2.gz NVWPDPUTHVMRDZ-ZDUSSCGKSA-N 2 1 241.379 0.125 20 0 BCADMP C[NH+](CCNC[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000310530109 370350484 /nfs/dbraw/zinc/35/04/84/370350484.db2.gz NVWPDPUTHVMRDZ-ZDUSSCGKSA-N 2 1 241.379 0.125 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CCO)CC1)C1CC1 ZINC000310346967 370337079 /nfs/dbraw/zinc/33/70/79/370337079.db2.gz GGAMMQSKTZHOCQ-LBPRGKRZSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CCO)CC1)C1CC1 ZINC000310346967 370337084 /nfs/dbraw/zinc/33/70/84/370337084.db2.gz GGAMMQSKTZHOCQ-LBPRGKRZSA-N 2 1 242.363 0.194 20 0 BCADMP CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784794 370538174 /nfs/dbraw/zinc/53/81/74/370538174.db2.gz VEIQCZOPVKQZQT-MDZLAQPJSA-N 2 1 237.347 0.420 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784794 370538179 /nfs/dbraw/zinc/53/81/79/370538179.db2.gz VEIQCZOPVKQZQT-MDZLAQPJSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777482 370527353 /nfs/dbraw/zinc/52/73/53/370527353.db2.gz CYFWDHPMYWEGFW-CHWSQXEVSA-N 3 1 223.364 0.799 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777482 370527355 /nfs/dbraw/zinc/52/73/55/370527355.db2.gz CYFWDHPMYWEGFW-CHWSQXEVSA-N 2 1 223.364 0.799 20 0 BCADMP N[C@@]12CCC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000621777482 370527357 /nfs/dbraw/zinc/52/73/57/370527357.db2.gz CYFWDHPMYWEGFW-CHWSQXEVSA-N 2 1 223.364 0.799 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781958 370530490 /nfs/dbraw/zinc/53/04/90/370530490.db2.gz KLNFDXNHWHKLSL-CHWSQXEVSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781958 370530495 /nfs/dbraw/zinc/53/04/95/370530495.db2.gz KLNFDXNHWHKLSL-CHWSQXEVSA-N 2 1 234.347 0.776 20 0 BCADMP CN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784410 370535479 /nfs/dbraw/zinc/53/54/79/370535479.db2.gz OLMUOBLAWVARIM-JFGNBEQYSA-N 2 1 223.320 0.030 20 0 BCADMP CN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784410 370535481 /nfs/dbraw/zinc/53/54/81/370535481.db2.gz OLMUOBLAWVARIM-JFGNBEQYSA-N 2 1 223.320 0.030 20 0 BCADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccc[nH]c1=O ZINC000623777395 371089051 /nfs/dbraw/zinc/08/90/51/371089051.db2.gz CQVHABQXDJTQDU-ONGXEEELSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccc[nH]c1=O ZINC000623777395 371089059 /nfs/dbraw/zinc/08/90/59/371089059.db2.gz CQVHABQXDJTQDU-ONGXEEELSA-N 2 1 221.304 0.827 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000624130518 371331711 /nfs/dbraw/zinc/33/17/11/371331711.db2.gz PYFFDJVBLFUJSZ-BJDJZHNGSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000624257000 371443486 /nfs/dbraw/zinc/44/34/86/371443486.db2.gz PRMCWEDIFCCPCN-URLYPYJESA-N 2 1 243.314 0.954 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1([NH+](C)C)CC1 ZINC000627777622 371970158 /nfs/dbraw/zinc/97/01/58/371970158.db2.gz IVVHKKLSZBRTNP-UHFFFAOYSA-N 2 1 236.319 0.402 20 0 BCADMP Cc1cccn2c(CN[C@@H]3COC[C@@H]3O)cnc12 ZINC000631201453 372232443 /nfs/dbraw/zinc/23/24/43/372232443.db2.gz RZZWQOQKNIAELR-NEPJUHHUSA-N 2 1 247.298 0.492 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631271310 372270344 /nfs/dbraw/zinc/27/03/44/372270344.db2.gz AEJMQCVBLPTIQD-UMSGYPCISA-N 2 1 240.347 0.353 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631271310 372270348 /nfs/dbraw/zinc/27/03/48/372270348.db2.gz AEJMQCVBLPTIQD-UMSGYPCISA-N 2 1 240.347 0.353 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631271311 372271187 /nfs/dbraw/zinc/27/11/87/372271187.db2.gz AEJMQCVBLPTIQD-WUHRBBMRSA-N 2 1 240.347 0.353 20 0 BCADMP O[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631271311 372271192 /nfs/dbraw/zinc/27/11/92/372271192.db2.gz AEJMQCVBLPTIQD-WUHRBBMRSA-N 2 1 240.347 0.353 20 0 BCADMP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000171103459 372313442 /nfs/dbraw/zinc/31/34/42/372313442.db2.gz RFOCUPDQOUILCB-SECBINFHSA-N 2 1 213.325 0.147 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825862 372603284 /nfs/dbraw/zinc/60/32/84/372603284.db2.gz XKGBHIXTPOEVAX-KKOKHZNYSA-N 2 1 210.321 0.563 20 0 BCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+](C)C ZINC000171393424 372567448 /nfs/dbraw/zinc/56/74/48/372567448.db2.gz QHLXFNIOFVZSIA-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+](C)C ZINC000171393424 372567451 /nfs/dbraw/zinc/56/74/51/372567451.db2.gz QHLXFNIOFVZSIA-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631824063 372589103 /nfs/dbraw/zinc/58/91/03/372589103.db2.gz VDIDRTMDJUPMAL-KOLCDFICSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631824063 372589108 /nfs/dbraw/zinc/58/91/08/372589108.db2.gz VDIDRTMDJUPMAL-KOLCDFICSA-N 2 1 220.320 0.954 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821691 372597244 /nfs/dbraw/zinc/59/72/44/372597244.db2.gz GBMSTNULCAMSOS-JTQLQIEISA-N 2 1 237.351 0.682 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631822635 372598798 /nfs/dbraw/zinc/59/87/98/372598798.db2.gz JUWUDYZKNUQLHB-JQWIXIFHSA-N 2 1 237.351 0.728 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827790 372607236 /nfs/dbraw/zinc/60/72/36/372607236.db2.gz WTMVAZRVPALQRV-PRULPYPASA-N 2 1 249.362 0.742 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000631830093 372612888 /nfs/dbraw/zinc/61/28/88/372612888.db2.gz JCZFTHDIFCSRCP-GFCCVEGCSA-N 2 1 230.352 0.723 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000631830408 372612906 /nfs/dbraw/zinc/61/29/06/372612906.db2.gz RCQCHTWVJSBFIX-MDZLAQPJSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000631830408 372612910 /nfs/dbraw/zinc/61/29/10/372612910.db2.gz RCQCHTWVJSBFIX-MDZLAQPJSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000631830406 372613189 /nfs/dbraw/zinc/61/31/89/372613189.db2.gz RCQCHTWVJSBFIX-GVXVVHGQSA-N 2 1 247.346 0.579 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000631830406 372613193 /nfs/dbraw/zinc/61/31/93/372613193.db2.gz RCQCHTWVJSBFIX-GVXVVHGQSA-N 2 1 247.346 0.579 20 0 BCADMP CC(C)(O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833792 372617604 /nfs/dbraw/zinc/61/76/04/372617604.db2.gz IXQQNHSFMVFZAR-SNVBAGLBSA-N 2 1 200.326 0.961 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000631836846 372625203 /nfs/dbraw/zinc/62/52/03/372625203.db2.gz HYKRDTOHVAYECA-NXEZZACHSA-N 2 1 208.309 0.447 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000631836846 372625210 /nfs/dbraw/zinc/62/52/10/372625210.db2.gz HYKRDTOHVAYECA-NXEZZACHSA-N 2 1 208.309 0.447 20 0 BCADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000631837701 372630330 /nfs/dbraw/zinc/63/03/30/372630330.db2.gz WJQGITXGWHCDMA-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000631837701 372630333 /nfs/dbraw/zinc/63/03/33/372630333.db2.gz WJQGITXGWHCDMA-MWLCHTKSSA-N 2 1 220.320 0.812 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841778 372639334 /nfs/dbraw/zinc/63/93/34/372639334.db2.gz PMZHUYLMMQHPMJ-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)OCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844402 372643512 /nfs/dbraw/zinc/64/35/12/372643512.db2.gz XCUCKIVBIPXZDK-GHMZBOCLSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@@H]1C[C@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859526 372649011 /nfs/dbraw/zinc/64/90/11/372649011.db2.gz BMTVRKKUNFICRQ-PWSUYJOCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859526 372649016 /nfs/dbraw/zinc/64/90/16/372649016.db2.gz BMTVRKKUNFICRQ-PWSUYJOCSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859526 372649023 /nfs/dbraw/zinc/64/90/23/372649023.db2.gz BMTVRKKUNFICRQ-PWSUYJOCSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC000631859526 372649025 /nfs/dbraw/zinc/64/90/25/372649025.db2.gz BMTVRKKUNFICRQ-PWSUYJOCSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1C[N@H+](CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000631852217 372651284 /nfs/dbraw/zinc/65/12/84/372651284.db2.gz GZTWNIMNEBXVJM-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000631852217 372651287 /nfs/dbraw/zinc/65/12/87/372651287.db2.gz GZTWNIMNEBXVJM-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825863 372603880 /nfs/dbraw/zinc/60/38/80/372603880.db2.gz XKGBHIXTPOEVAX-KXNHARMFSA-N 2 1 210.321 0.563 20 0 BCADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631826762 372605622 /nfs/dbraw/zinc/60/56/22/372605622.db2.gz WLMTWVDUCFWYTH-NEPJUHHUSA-N 2 1 249.362 0.969 20 0 BCADMP OCCNC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000631862000 372663221 /nfs/dbraw/zinc/66/32/21/372663221.db2.gz CUVNJJLLDMQZLX-UHFFFAOYSA-N 2 1 241.379 0.032 20 0 BCADMP FC(F)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000631865833 372666573 /nfs/dbraw/zinc/66/65/73/372666573.db2.gz POLFHJPCRYKJKR-ZJUUUORDSA-N 2 1 234.290 0.952 20 0 BCADMP FC(F)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000631865833 372666576 /nfs/dbraw/zinc/66/65/76/372666576.db2.gz POLFHJPCRYKJKR-ZJUUUORDSA-N 2 1 234.290 0.952 20 0 BCADMP COCCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887893 372681248 /nfs/dbraw/zinc/68/12/48/372681248.db2.gz RJACDIWHNFYIIT-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000634300920 374129675 /nfs/dbraw/zinc/12/96/75/374129675.db2.gz PNTZJUGPAZJPOZ-WDEREUQCSA-N 2 1 227.352 0.380 20 0 BCADMP C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634298134 374100404 /nfs/dbraw/zinc/10/04/04/374100404.db2.gz MFLPLABSPBISQJ-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062114227 182243193 /nfs/dbraw/zinc/24/31/93/182243193.db2.gz YNBFXLFZBWQIIP-GHMZBOCLSA-N 2 1 237.347 0.196 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000459782332 206015938 /nfs/dbraw/zinc/01/59/38/206015938.db2.gz ULCWLPORQMHPKW-XQQFMLRXSA-N 2 1 242.363 0.599 20 0 BCADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000459782332 206015943 /nfs/dbraw/zinc/01/59/43/206015943.db2.gz ULCWLPORQMHPKW-XQQFMLRXSA-N 2 1 242.363 0.599 20 0 BCADMP [NH3+]Cc1noc(Cc2cccc3c2CC[NH2+]C3)n1 ZINC000634557965 374316658 /nfs/dbraw/zinc/31/66/58/374316658.db2.gz LWHOYAFQQROPPK-UHFFFAOYSA-N 2 1 244.298 0.765 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000166637838 206019668 /nfs/dbraw/zinc/01/96/68/206019668.db2.gz UOFLHIKMAGHYHQ-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CC[NH2+]C1 ZINC000420230311 206024148 /nfs/dbraw/zinc/02/41/48/206024148.db2.gz PNXWWAFPXILVKN-SNVBAGLBSA-N 2 1 249.314 0.702 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000424130322 206033775 /nfs/dbraw/zinc/03/37/75/206033775.db2.gz HJXABNVMGASDLD-YFKTTZPYSA-N 2 1 239.363 0.570 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000167322412 206143916 /nfs/dbraw/zinc/14/39/16/206143916.db2.gz DXMLAUDGRCPYCT-VXGBXAGGSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359398420 169068140 /nfs/dbraw/zinc/06/81/40/169068140.db2.gz XRLBDMXLIUMPMW-PHIMTYICSA-N 2 1 225.336 0.006 20 0 BCADMP O[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000337976759 183197672 /nfs/dbraw/zinc/19/76/72/183197672.db2.gz LZTRLJHYTXWCAK-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC1 ZINC000337630338 169071281 /nfs/dbraw/zinc/07/12/81/169071281.db2.gz UXCGPDNQZRCVKH-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC1 ZINC000337630338 169071284 /nfs/dbraw/zinc/07/12/84/169071284.db2.gz UXCGPDNQZRCVKH-UHFFFAOYSA-N 2 1 213.325 0.150 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000359295679 169071661 /nfs/dbraw/zinc/07/16/61/169071661.db2.gz WDJGMLFFCUGHMI-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000359257556 169064477 /nfs/dbraw/zinc/06/44/77/169064477.db2.gz BMLZCDOFMMLECQ-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP O[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](O)C2)C1 ZINC000304329170 183192530 /nfs/dbraw/zinc/19/25/30/183192530.db2.gz WCWSSFWZZBNRSC-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000304329170 183192533 /nfs/dbraw/zinc/19/25/33/183192533.db2.gz WCWSSFWZZBNRSC-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236764369 169078904 /nfs/dbraw/zinc/07/89/04/169078904.db2.gz UENDAJHUCPJVHZ-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236764458 169079019 /nfs/dbraw/zinc/07/90/19/169079019.db2.gz NTZVKQWOZFTDSN-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340290696 183210072 /nfs/dbraw/zinc/21/00/72/183210072.db2.gz NQTDKWSSWPMCGQ-YNEHKIRRSA-N 2 1 240.347 0.164 20 0 BCADMP O[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340290696 183210074 /nfs/dbraw/zinc/21/00/74/183210074.db2.gz NQTDKWSSWPMCGQ-YNEHKIRRSA-N 2 1 240.347 0.164 20 0 BCADMP CCC[N@H+](CC(=O)NC(C)C)C1CC[NH2+]CC1 ZINC000037539264 169093413 /nfs/dbraw/zinc/09/34/13/169093413.db2.gz OBFUPBXRPWLEBA-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](CC(=O)NC(C)C)C1CC[NH2+]CC1 ZINC000037539264 169093414 /nfs/dbraw/zinc/09/34/14/169093414.db2.gz OBFUPBXRPWLEBA-UHFFFAOYSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249077691 169120382 /nfs/dbraw/zinc/12/03/82/169120382.db2.gz RFFKIWUPCLCCGI-MNOVXSKESA-N 2 1 229.368 0.818 20 0 BCADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919243 169170095 /nfs/dbraw/zinc/17/00/95/169170095.db2.gz CJBRIPNVBFOVLM-LBPRGKRZSA-N 2 1 241.379 0.834 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364883325 169191194 /nfs/dbraw/zinc/19/11/94/169191194.db2.gz UQVCOGNIDLMULW-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000370782829 169192555 /nfs/dbraw/zinc/19/25/55/169192555.db2.gz VKMNYLPMQHSDOZ-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236764008 169194820 /nfs/dbraw/zinc/19/48/20/169194820.db2.gz XSLKXFQHIOBEPQ-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236764705 169194954 /nfs/dbraw/zinc/19/49/54/169194954.db2.gz YSRAZLGDMHHHJJ-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950054 169195367 /nfs/dbraw/zinc/19/53/67/169195367.db2.gz WKZMQCXPNKMQBO-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342134040 169195792 /nfs/dbraw/zinc/19/57/92/169195792.db2.gz SHHXWKKOQOWABS-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP c1cc2c(cc1CC[NH2+][C@@H]1CC[NH2+]C1)OCCO2 ZINC000094074309 183367687 /nfs/dbraw/zinc/36/76/87/183367687.db2.gz SZMMFOWGCQUEAZ-GFCCVEGCSA-N 2 1 248.326 0.952 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942926 169388028 /nfs/dbraw/zinc/38/80/28/169388028.db2.gz LQBUWMWOHOQPGB-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000178818590 134315586 /nfs/dbraw/zinc/31/55/86/134315586.db2.gz VTEVNAGCTAXDQD-MNOVXSKESA-N 2 1 227.352 0.666 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)CCC[NH3+] ZINC000178836253 134315779 /nfs/dbraw/zinc/31/57/79/134315779.db2.gz MDYOXUDMMPTSMQ-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224044716 134344384 /nfs/dbraw/zinc/34/43/84/134344384.db2.gz MAJFXMKLOKIFJY-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353182743 169503519 /nfs/dbraw/zinc/50/35/19/169503519.db2.gz KNABFWFWOCHZEE-USWWRNFRSA-N 2 1 239.363 0.713 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000226325458 134360225 /nfs/dbraw/zinc/36/02/25/134360225.db2.gz YEBZPJFFUOYIKI-MWLCHTKSSA-N 2 1 232.393 0.783 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226314470 134360507 /nfs/dbraw/zinc/36/05/07/134360507.db2.gz MHYKSFJBTOZOCN-MXWKQRLJSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226508589 134363810 /nfs/dbraw/zinc/36/38/10/134363810.db2.gz CYCUXMXHVSZRAI-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000226396646 134365077 /nfs/dbraw/zinc/36/50/77/134365077.db2.gz MGZVZGJJBAELFK-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724217 383842352 /nfs/dbraw/zinc/84/23/52/383842352.db2.gz UMBHWLZZYSABFI-SECBINFHSA-N 2 1 200.282 0.220 20 0 BCADMP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124603 383842886 /nfs/dbraw/zinc/84/28/86/383842886.db2.gz AAOWLZRTOJKGFQ-IVZWLZJFSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@@H+](C)CC1 ZINC000069838988 383848481 /nfs/dbraw/zinc/84/84/81/383848481.db2.gz HVYSIIUPNVSRLO-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP C[C@H]1CC[C@H](C[N@@H+](C)CCOCC[NH3+])O1 ZINC000301051485 383879926 /nfs/dbraw/zinc/87/99/26/383879926.db2.gz UPCPDLTXURQSEE-WDEREUQCSA-N 2 1 216.325 0.461 20 0 BCADMP C[NH2+][C@@H]1CCN(CCc2c[nH+]cn2C)C1 ZINC000401726690 383862052 /nfs/dbraw/zinc/86/20/52/383862052.db2.gz MASRLSHRYUICOC-SNVBAGLBSA-N 2 1 208.309 0.256 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000449326000 383862180 /nfs/dbraw/zinc/86/21/80/383862180.db2.gz RJMYASGTQBVNIK-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)CCC[NH3+] ZINC000517738645 383872291 /nfs/dbraw/zinc/87/22/91/383872291.db2.gz YLVMWHQCAUEPDX-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP C[N@@H+](CCOCC[NH3+])CCOCC(F)(F)F ZINC000301054048 383881583 /nfs/dbraw/zinc/88/15/83/383881583.db2.gz ZOGIWVCJPZHMQB-UHFFFAOYSA-N 2 1 244.257 0.472 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000305112189 383986021 /nfs/dbraw/zinc/98/60/21/383986021.db2.gz GJDBWGMLTWNBCZ-QWRGUYRKSA-N 2 1 244.379 0.845 20 0 BCADMP Cc1[nH+]cc(CNC[C@@](C)(O)C[NH+](C)C)n1C ZINC000516938745 383996710 /nfs/dbraw/zinc/99/67/10/383996710.db2.gz YRFOPKPKIDLANC-GFCCVEGCSA-N 2 1 240.351 0.131 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357237289 383971906 /nfs/dbraw/zinc/97/19/06/383971906.db2.gz FLJVPDBLBPMSSG-WDEREUQCSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295677 383974159 /nfs/dbraw/zinc/97/41/59/383974159.db2.gz DXBRVEGUTKNDRU-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295674 383974232 /nfs/dbraw/zinc/97/42/32/383974232.db2.gz DXBRVEGUTKNDRU-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000558467961 384029680 /nfs/dbraw/zinc/02/96/80/384029680.db2.gz DHPSJRVEUFEHCS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000558467961 384029686 /nfs/dbraw/zinc/02/96/86/384029686.db2.gz DHPSJRVEUFEHCS-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000401812731 384055983 /nfs/dbraw/zinc/05/59/83/384055983.db2.gz VIDDOGCTMMNCBU-SNVBAGLBSA-N 2 1 208.309 0.243 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC[N@H+]1C ZINC000648127921 384058391 /nfs/dbraw/zinc/05/83/91/384058391.db2.gz OORPBVFTKBLXBW-WRWGMCAJSA-N 2 1 239.363 0.535 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000077307734 384066881 /nfs/dbraw/zinc/06/68/81/384066881.db2.gz LCSCEMRTNIRTGB-SECBINFHSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])C[N@H+]1C1CC1 ZINC000572600402 384081201 /nfs/dbraw/zinc/08/12/01/384081201.db2.gz SLJCYOSURSOSDR-WDEREUQCSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])C[N@H+]1C1CC1 ZINC000572600400 384082393 /nfs/dbraw/zinc/08/23/93/384082393.db2.gz SLJCYOSURSOSDR-MNOVXSKESA-N 2 1 239.363 0.857 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000163208955 384165177 /nfs/dbraw/zinc/16/51/77/384165177.db2.gz OJSSRNKBDSNBCQ-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000163208955 384165183 /nfs/dbraw/zinc/16/51/83/384165183.db2.gz OJSSRNKBDSNBCQ-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163233159 384185349 /nfs/dbraw/zinc/18/53/49/384185349.db2.gz WFMGPJIAHQXTBX-MFKMUULPSA-N 2 1 247.342 0.955 20 0 BCADMP [NH3+]Cc1noc(C23CCC[NH+]2CCC3)n1 ZINC000647159362 384181316 /nfs/dbraw/zinc/18/13/16/384181316.db2.gz JIYCEBUMKNSVSJ-UHFFFAOYSA-N 2 1 208.265 0.613 20 0 BCADMP Cc1cccc(NC2CCN(C(=O)C[NH3+])CC2)[nH+]1 ZINC000370765943 384202336 /nfs/dbraw/zinc/20/23/36/384202336.db2.gz JAHYYCOERRDRAB-UHFFFAOYSA-N 2 1 248.330 0.752 20 0 BCADMP C[C@H](C(=O)N(C)C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336599573 384206788 /nfs/dbraw/zinc/20/67/88/384206788.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 1 239.363 0.491 20 0 BCADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132691298 384200918 /nfs/dbraw/zinc/20/09/18/384200918.db2.gz PNOPSKRGRTVZFD-NEPJUHHUSA-N 2 1 230.352 0.579 20 0 BCADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618502 384238067 /nfs/dbraw/zinc/23/80/67/384238067.db2.gz AUELBWBVOXBHMD-NWDGAFQWSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000069626431 384246469 /nfs/dbraw/zinc/24/64/69/384246469.db2.gz WGXYBAVTDKSWDF-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000069626388 384247793 /nfs/dbraw/zinc/24/77/93/384247793.db2.gz MBIWMJAKOCJDIU-GFCCVEGCSA-N 2 1 222.336 0.944 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158644102 384253375 /nfs/dbraw/zinc/25/33/75/384253375.db2.gz RHHPFVFQRFJLCN-CYBMUJFWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000083462286 384305819 /nfs/dbraw/zinc/30/58/19/384305819.db2.gz ANUWIOWNVNSZAB-LLVKDONJSA-N 2 1 200.326 0.831 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN(CC(C)(C)O)C1CC1 ZINC000569588958 384291034 /nfs/dbraw/zinc/29/10/34/384291034.db2.gz VGADVISDKNQWTJ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000569588958 384291040 /nfs/dbraw/zinc/29/10/40/384291040.db2.gz VGADVISDKNQWTJ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000569588958 384291047 /nfs/dbraw/zinc/29/10/47/384291047.db2.gz VGADVISDKNQWTJ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000569588958 384291054 /nfs/dbraw/zinc/29/10/54/384291054.db2.gz VGADVISDKNQWTJ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000569588958 384291058 /nfs/dbraw/zinc/29/10/58/384291058.db2.gz VGADVISDKNQWTJ-GFCCVEGCSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352342760 384293425 /nfs/dbraw/zinc/29/34/25/384293425.db2.gz XZEHBVBCIXGKFH-NTZNESFSSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352342760 384293435 /nfs/dbraw/zinc/29/34/35/384293435.db2.gz XZEHBVBCIXGKFH-NTZNESFSSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352342760 384293443 /nfs/dbraw/zinc/29/34/43/384293443.db2.gz XZEHBVBCIXGKFH-NTZNESFSSA-N 2 1 242.363 0.144 20 0 BCADMP C[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352342760 384293451 /nfs/dbraw/zinc/29/34/51/384293451.db2.gz XZEHBVBCIXGKFH-NTZNESFSSA-N 2 1 242.363 0.144 20 0 BCADMP COC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C ZINC000083399870 384296430 /nfs/dbraw/zinc/29/64/30/384296430.db2.gz HGFOOIWMVOACOV-GHMZBOCLSA-N 2 1 218.341 0.170 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300399358 384369745 /nfs/dbraw/zinc/36/97/45/384369745.db2.gz TUHPYHRGOOUECY-VWYCJHECSA-N 2 1 216.325 0.066 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300399358 384369752 /nfs/dbraw/zinc/36/97/52/384369752.db2.gz TUHPYHRGOOUECY-VWYCJHECSA-N 2 1 216.325 0.066 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC(C)(C)CC[NH3+])CC[N@H+]1C ZINC000648179400 384333623 /nfs/dbraw/zinc/33/36/23/384333623.db2.gz RIJCHFPZHVJAHA-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000084200471 384379052 /nfs/dbraw/zinc/37/90/52/384379052.db2.gz CNKRAZMOGFPGIB-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703002 384389578 /nfs/dbraw/zinc/38/95/78/384389578.db2.gz ZQQOSEASRYKMAS-LLVKDONJSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CO1 ZINC000647174555 384459855 /nfs/dbraw/zinc/45/98/55/384459855.db2.gz FQATYBRFICFHTE-VXGBXAGGSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CO1 ZINC000647174552 384460320 /nfs/dbraw/zinc/46/03/20/384460320.db2.gz FQATYBRFICFHTE-NEPJUHHUSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CO1 ZINC000647174553 384460495 /nfs/dbraw/zinc/46/04/95/384460495.db2.gz FQATYBRFICFHTE-NWDGAFQWSA-N 2 1 242.363 0.600 20 0 BCADMP OCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150797076 384503539 /nfs/dbraw/zinc/50/35/39/384503539.db2.gz PTPXASAOXCXNDW-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP OCCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150797076 384503544 /nfs/dbraw/zinc/50/35/44/384503544.db2.gz PTPXASAOXCXNDW-ZDUSSCGKSA-N 2 1 242.363 0.413 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000357410954 384494270 /nfs/dbraw/zinc/49/42/70/384494270.db2.gz JOVSNKZHUWBVRA-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000357410954 384494278 /nfs/dbraw/zinc/49/42/78/384494278.db2.gz JOVSNKZHUWBVRA-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000357410954 384494282 /nfs/dbraw/zinc/49/42/82/384494282.db2.gz JOVSNKZHUWBVRA-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812641 384534615 /nfs/dbraw/zinc/53/46/15/384534615.db2.gz CNKRAZMOGFPGIB-ZJUUUORDSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)CC[N@H+]1C ZINC000183639526 384542732 /nfs/dbraw/zinc/54/27/32/384542732.db2.gz KGAJNSNGQRRPAF-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639432 384545081 /nfs/dbraw/zinc/54/50/81/384545081.db2.gz BZDPNFHLYPCUBC-OUAUKWLOSA-N 2 1 241.379 0.816 20 0 BCADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000647522912 384545386 /nfs/dbraw/zinc/54/53/86/384545386.db2.gz WDEKUURULKCRIE-QWHCGFSZSA-N 2 1 244.379 0.584 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236648103 384539144 /nfs/dbraw/zinc/53/91/44/384539144.db2.gz DIJJLRJPVZJVGB-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000236811875 384575172 /nfs/dbraw/zinc/57/51/72/384575172.db2.gz KCZYNZJQDBDRRI-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236825477 384585674 /nfs/dbraw/zinc/58/56/74/384585674.db2.gz MJFXBZRHHJFLIK-LLVKDONJSA-N 2 1 239.363 0.714 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH3+] ZINC000648177625 384567222 /nfs/dbraw/zinc/56/72/22/384567222.db2.gz KKYYLCNLVWQXLQ-JTQLQIEISA-N 2 1 238.335 0.814 20 0 BCADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000556937589 384665734 /nfs/dbraw/zinc/66/57/34/384665734.db2.gz UOHFJFANBOOQPF-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000006884235 384650147 /nfs/dbraw/zinc/65/01/47/384650147.db2.gz AEZQHPGRCRINOQ-LLVKDONJSA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000044538759 384659229 /nfs/dbraw/zinc/65/92/29/384659229.db2.gz XFRWYLLGJNMWFY-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP Cn1nncc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545773 384725320 /nfs/dbraw/zinc/72/53/20/384725320.db2.gz PUBKILNSYWAKNS-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000300359983 384687217 /nfs/dbraw/zinc/68/72/17/384687217.db2.gz QVNOYBUESTUPKG-WOPDTQHZSA-N 2 1 230.352 0.720 20 0 BCADMP C[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H](C)[NH3+] ZINC000449603445 384687760 /nfs/dbraw/zinc/68/77/60/384687760.db2.gz QUGQRAXEWMLJDR-ZRUFSTJUSA-N 2 1 227.352 0.711 20 0 BCADMP CCN(C)C(=O)CNCc1cccc2nccn21 ZINC000185178262 384689393 /nfs/dbraw/zinc/68/93/93/384689393.db2.gz XBOMNVBFONYJQC-UHFFFAOYSA-N 2 1 246.314 0.902 20 0 BCADMP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000449606304 384697038 /nfs/dbraw/zinc/69/70/38/384697038.db2.gz YHTIIGJIMANKBC-NWDGAFQWSA-N 2 1 249.358 0.970 20 0 BCADMP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000449606304 384697044 /nfs/dbraw/zinc/69/70/44/384697044.db2.gz YHTIIGJIMANKBC-NWDGAFQWSA-N 2 1 249.358 0.970 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000054072509 384727700 /nfs/dbraw/zinc/72/77/00/384727700.db2.gz OWBXNWIJZAFBOD-JTQLQIEISA-N 2 1 213.325 0.147 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546462 384730818 /nfs/dbraw/zinc/73/08/18/384730818.db2.gz LDZKPNUFNRZDGT-UTUOFQBUSA-N 3 1 211.353 0.716 20 0 BCADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546371 384731169 /nfs/dbraw/zinc/73/11/69/384731169.db2.gz HTBKSEKWYLKKFK-IJLUTSLNSA-N 3 1 211.353 0.574 20 0 BCADMP N[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546819 384734246 /nfs/dbraw/zinc/73/42/46/384734246.db2.gz CTHGXLDBIANFRU-FDYHWXHSSA-N 2 1 223.364 0.701 20 0 BCADMP C[C@H]1C[NH2+]C[C@H](NCC(F)(F)C[NH3+])C1 ZINC000647546943 384734305 /nfs/dbraw/zinc/73/43/05/384734305.db2.gz HXOSKRXLNSKYLP-HTQZYQBOSA-N 2 1 207.268 0.168 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000647549743 384747965 /nfs/dbraw/zinc/74/79/65/384747965.db2.gz OUBAXFKOCVEHIR-DCAQKATOSA-N 2 1 223.324 0.254 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000647549744 384748621 /nfs/dbraw/zinc/74/86/21/384748621.db2.gz OUBAXFKOCVEHIR-GARJFASQSA-N 2 1 223.324 0.254 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300398885 384753929 /nfs/dbraw/zinc/75/39/29/384753929.db2.gz OPBWRIFTZFXABY-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP COC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300398885 384753936 /nfs/dbraw/zinc/75/39/36/384753936.db2.gz OPBWRIFTZFXABY-SRVKXCTJSA-N 2 1 228.336 0.210 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000054133256 384822614 /nfs/dbraw/zinc/82/26/14/384822614.db2.gz XWWAGQDIZFJTRI-AWEZNQCLSA-N 2 1 249.358 0.928 20 0 BCADMP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000300423997 384825058 /nfs/dbraw/zinc/82/50/58/384825058.db2.gz AFRSBEZGIVYQIR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000300423997 384825063 /nfs/dbraw/zinc/82/50/63/384825063.db2.gz AFRSBEZGIVYQIR-IJLUTSLNSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000126296375 384787502 /nfs/dbraw/zinc/78/75/02/384787502.db2.gz FPPDSFGKQQDTTB-UHFFFAOYSA-N 2 1 249.362 0.680 20 0 BCADMP CC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000126296375 384787508 /nfs/dbraw/zinc/78/75/08/384787508.db2.gz FPPDSFGKQQDTTB-UHFFFAOYSA-N 2 1 249.362 0.680 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361487040 384810951 /nfs/dbraw/zinc/81/09/51/384810951.db2.gz UANNNHDFMIUJHV-UPJWGTAASA-N 2 1 244.379 0.704 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000646903794 384884840 /nfs/dbraw/zinc/88/48/40/384884840.db2.gz WFFJXLXNZWXLTK-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000557215108 384887736 /nfs/dbraw/zinc/88/77/36/384887736.db2.gz SDXRYAHBZCVJBZ-SNVBAGLBSA-N 2 1 228.340 0.071 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCn1cncn1 ZINC000336672487 384846684 /nfs/dbraw/zinc/84/66/84/384846684.db2.gz SVFFIGBRFYQMCK-LLVKDONJSA-N 2 1 225.340 0.583 20 0 BCADMP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCCCC1 ZINC000127413442 384893143 /nfs/dbraw/zinc/89/31/43/384893143.db2.gz KVPAUCGPSMSLFF-UHFFFAOYSA-N 2 1 248.330 0.880 20 0 BCADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654488 384905934 /nfs/dbraw/zinc/90/59/34/384905934.db2.gz BYHFSAHWZBPQAD-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250881327 384912212 /nfs/dbraw/zinc/91/22/12/384912212.db2.gz VLPOWHDFERRLOT-VHSXEESVSA-N 2 1 211.309 0.078 20 0 BCADMP NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250881327 384912218 /nfs/dbraw/zinc/91/22/18/384912218.db2.gz VLPOWHDFERRLOT-VHSXEESVSA-N 2 1 211.309 0.078 20 0 BCADMP COCC[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000300782225 384919171 /nfs/dbraw/zinc/91/91/71/384919171.db2.gz BJKJGUVTZKUINF-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258884561 384942770 /nfs/dbraw/zinc/94/27/70/384942770.db2.gz USJPFFFPWOYMMN-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+]CCC(C)(C)C ZINC000258839503 384947633 /nfs/dbraw/zinc/94/76/33/384947633.db2.gz FANQXTFCZYORMK-LLVKDONJSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CCC[NH+](C)C[C@H](C)O ZINC000149857516 384948734 /nfs/dbraw/zinc/94/87/34/384948734.db2.gz XXTVCFLAYYEBCJ-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H](O)C[NH+](C)CCC[N@H+](C)C[C@H](C)O ZINC000149857516 384948741 /nfs/dbraw/zinc/94/87/41/384948741.db2.gz XXTVCFLAYYEBCJ-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP C[C@@H](O)C[NH+](C)CCC[N@@H+](C)C[C@H](C)O ZINC000149857516 384948750 /nfs/dbraw/zinc/94/87/50/384948750.db2.gz XXTVCFLAYYEBCJ-PHIMTYICSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(N)=O ZINC000644569334 384967018 /nfs/dbraw/zinc/96/70/18/384967018.db2.gz ITSOUXZNCWAFBA-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000644563541 384970525 /nfs/dbraw/zinc/97/05/25/384970525.db2.gz VIGFNNANCVKZOF-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423529764 385021552 /nfs/dbraw/zinc/02/15/52/385021552.db2.gz YDXCNLYOLUYRHG-AVGNSLFASA-N 2 1 225.380 0.914 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000647242332 384990371 /nfs/dbraw/zinc/99/03/71/384990371.db2.gz PTWUQQFONNXJED-WUHRBBMRSA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000647242332 384990374 /nfs/dbraw/zinc/99/03/74/384990374.db2.gz PTWUQQFONNXJED-WUHRBBMRSA-N 2 1 240.347 0.617 20 0 BCADMP COCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383131 384993216 /nfs/dbraw/zinc/99/32/16/384993216.db2.gz OTXDQHPDCHHRHZ-UHFFFAOYSA-N 2 1 243.395 0.591 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000648148508 385000239 /nfs/dbraw/zinc/00/02/39/385000239.db2.gz LMYGSSXMJROWBQ-GMTAPVOTSA-N 2 1 239.363 0.583 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000310354571 385002232 /nfs/dbraw/zinc/00/22/32/385002232.db2.gz QIZHPEDQUPDZNR-YVECIDJPSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000226399620 385008370 /nfs/dbraw/zinc/00/83/70/385008370.db2.gz XOAAQPXVQOIIHW-UWVGGRQHSA-N 2 1 225.336 0.195 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000226397014 385008952 /nfs/dbraw/zinc/00/89/52/385008952.db2.gz SXFJMFSLBJKIIJ-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226398445 385009231 /nfs/dbraw/zinc/00/92/31/385009231.db2.gz GMFQYOXQIFXQJW-ONGXEEELSA-N 2 1 227.352 0.569 20 0 BCADMP C[N@@H+](CCCCC1CCOCC1)C[C@H](O)C[NH3+] ZINC000310364763 385010524 /nfs/dbraw/zinc/01/05/24/385010524.db2.gz VRDODSGQJRAACX-CYBMUJFWSA-N 2 1 244.379 0.835 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCSCC1 ZINC000128846493 384963818 /nfs/dbraw/zinc/96/38/18/384963818.db2.gz XTYBCIZWBUKHTK-SNVBAGLBSA-N 2 1 218.366 0.394 20 0 BCADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H](O)C[NH3+] ZINC000259123619 384963954 /nfs/dbraw/zinc/96/39/54/384963954.db2.gz TYDJURINOBPCSQ-LBPRGKRZSA-N 2 1 236.315 0.373 20 0 BCADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H](O)C[NH3+] ZINC000259123619 384963958 /nfs/dbraw/zinc/96/39/58/384963958.db2.gz TYDJURINOBPCSQ-LBPRGKRZSA-N 2 1 236.315 0.373 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000377391482 385054100 /nfs/dbraw/zinc/05/41/00/385054100.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000377391482 385054106 /nfs/dbraw/zinc/05/41/06/385054106.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000377391482 385054112 /nfs/dbraw/zinc/05/41/12/385054112.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000377391482 385054120 /nfs/dbraw/zinc/05/41/20/385054120.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 2 1 240.347 0.967 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310425425 385058223 /nfs/dbraw/zinc/05/82/23/385058223.db2.gz ZZQQRYXXWAUAGI-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310425425 385058229 /nfs/dbraw/zinc/05/82/29/385058229.db2.gz ZZQQRYXXWAUAGI-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308753061 385067198 /nfs/dbraw/zinc/06/71/98/385067198.db2.gz FAHLLTDPSGHVOU-SNVBAGLBSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646930742 385073965 /nfs/dbraw/zinc/07/39/65/385073965.db2.gz MPNUEIZVUMPPKE-VXGBXAGGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646930742 385073970 /nfs/dbraw/zinc/07/39/70/385073970.db2.gz MPNUEIZVUMPPKE-VXGBXAGGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646930742 385073975 /nfs/dbraw/zinc/07/39/75/385073975.db2.gz MPNUEIZVUMPPKE-VXGBXAGGSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646930739 385075298 /nfs/dbraw/zinc/07/52/98/385075298.db2.gz MPNUEIZVUMPPKE-NEPJUHHUSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646930739 385075305 /nfs/dbraw/zinc/07/53/05/385075305.db2.gz MPNUEIZVUMPPKE-NEPJUHHUSA-N 2 1 239.363 0.489 20 0 BCADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646930739 385075311 /nfs/dbraw/zinc/07/53/11/385075311.db2.gz MPNUEIZVUMPPKE-NEPJUHHUSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000646956072 385084937 /nfs/dbraw/zinc/08/49/37/385084937.db2.gz STRQBHCYPNCXAA-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931627 385082573 /nfs/dbraw/zinc/08/25/73/385082573.db2.gz JVKNFRXJFDQDJP-IJLUTSLNSA-N 2 1 237.347 0.149 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310377089 385025758 /nfs/dbraw/zinc/02/57/58/385025758.db2.gz AHQPOVBZARFIIC-STQMWFEESA-N 2 1 234.347 0.875 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000310377089 385025768 /nfs/dbraw/zinc/02/57/68/385025768.db2.gz AHQPOVBZARFIIC-STQMWFEESA-N 2 1 234.347 0.875 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226541053 385031342 /nfs/dbraw/zinc/03/13/42/385031342.db2.gz BEEYTMJNBZCQHP-GRYCIOLGSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000644632262 385046073 /nfs/dbraw/zinc/04/60/73/385046073.db2.gz INJYNGMZWMMDMD-NEPJUHHUSA-N 2 1 230.352 0.458 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987423 385115417 /nfs/dbraw/zinc/11/54/17/385115417.db2.gz WUAXHUYSCKXTQC-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009788 385135343 /nfs/dbraw/zinc/13/53/43/385135343.db2.gz IYRRTQRTTOUAAZ-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449748237 385140355 /nfs/dbraw/zinc/14/03/55/385140355.db2.gz BAXWNFZNSUEGEU-JTQLQIEISA-N 2 1 227.352 0.583 20 0 BCADMP Cn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404830583 385097761 /nfs/dbraw/zinc/09/77/61/385097761.db2.gz IDWMFJVXEMXTCE-ZJUUUORDSA-N 2 1 208.309 0.636 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000404846627 385101498 /nfs/dbraw/zinc/10/14/98/385101498.db2.gz PAKCEKYQLILJPF-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000647018114 385143922 /nfs/dbraw/zinc/14/39/22/385143922.db2.gz FYDZLEVQWPEQFU-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000062010171 385150223 /nfs/dbraw/zinc/15/02/23/385150223.db2.gz HSGDOQRKFGEKMA-UHFFFAOYSA-N 2 1 225.336 0.196 20 0 BCADMP Cn1nccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044528051 385209210 /nfs/dbraw/zinc/20/92/10/385209210.db2.gz AIMKJEFSBSGICV-JTQLQIEISA-N 2 1 208.309 0.591 20 0 BCADMP Cn1nccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044528051 385209218 /nfs/dbraw/zinc/20/92/18/385209218.db2.gz AIMKJEFSBSGICV-JTQLQIEISA-N 2 1 208.309 0.591 20 0 BCADMP COC1(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319976575 385210233 /nfs/dbraw/zinc/21/02/33/385210233.db2.gz XCIRHJMYHZIVNT-NEPJUHHUSA-N 2 1 242.363 0.994 20 0 BCADMP COC1(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319976575 385210241 /nfs/dbraw/zinc/21/02/41/385210241.db2.gz XCIRHJMYHZIVNT-NEPJUHHUSA-N 2 1 242.363 0.994 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000647069151 385216181 /nfs/dbraw/zinc/21/61/81/385216181.db2.gz SROOQGARGCTVQH-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000052171534 385223126 /nfs/dbraw/zinc/22/31/26/385223126.db2.gz XOVWDDAPTKFAQQ-LLVKDONJSA-N 2 1 214.309 0.073 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000052171534 385223131 /nfs/dbraw/zinc/22/31/31/385223131.db2.gz XOVWDDAPTKFAQQ-LLVKDONJSA-N 2 1 214.309 0.073 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164669678 385226246 /nfs/dbraw/zinc/22/62/46/385226246.db2.gz OCQANUFYAOFVSQ-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164669678 385226251 /nfs/dbraw/zinc/22/62/51/385226251.db2.gz OCQANUFYAOFVSQ-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP COCCOCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164671058 385226676 /nfs/dbraw/zinc/22/66/76/385226676.db2.gz LUYVQBQPOCSJOK-RYUDHWBXSA-N 2 1 230.352 0.566 20 0 BCADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252717078 385228641 /nfs/dbraw/zinc/22/86/41/385228641.db2.gz ZSFLLMWVKGXAGJ-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649618 385235909 /nfs/dbraw/zinc/23/59/09/385235909.db2.gz KHADRUWTDZBPGA-CMPLNLGQSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000259321753 385243316 /nfs/dbraw/zinc/24/33/16/385243316.db2.gz XEYWCNUWCVWWBF-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157921154 385311070 /nfs/dbraw/zinc/31/10/70/385311070.db2.gz GZNIJTWFYIPXRY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157921154 385311074 /nfs/dbraw/zinc/31/10/74/385311074.db2.gz GZNIJTWFYIPXRY-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308978477 385329551 /nfs/dbraw/zinc/32/95/51/385329551.db2.gz HGPODINVEMRORY-VIFPVBQESA-N 2 1 211.309 0.102 20 0 BCADMP CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405231444 385389516 /nfs/dbraw/zinc/38/95/16/385389516.db2.gz AZZAPETUMHYVHN-ZJUUUORDSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+]1C[C@H]2CCN(Cc3cnc[nH]3)[C@@H]2C1 ZINC000644733730 385353694 /nfs/dbraw/zinc/35/36/94/385353694.db2.gz LHLXMPGXAYPOBS-MWLCHTKSSA-N 2 1 206.293 0.546 20 0 BCADMP C[N@H+]1C[C@H]2CCN(Cc3cnc[nH]3)[C@@H]2C1 ZINC000644733730 385353698 /nfs/dbraw/zinc/35/36/98/385353698.db2.gz LHLXMPGXAYPOBS-MWLCHTKSSA-N 2 1 206.293 0.546 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC12CCC2 ZINC000309045206 385389787 /nfs/dbraw/zinc/38/97/87/385389787.db2.gz OBPOTXRNBKJUBJ-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000492344863 385361169 /nfs/dbraw/zinc/36/11/69/385361169.db2.gz WHLKPZLAEMLHSV-UXFRKABBSA-N 2 1 239.363 0.655 20 0 BCADMP C[C@@H]1[C@H](C)N(C(=O)/C=C\C[NH+](C)C)CC[N@@H+]1C ZINC000492344862 385361526 /nfs/dbraw/zinc/36/15/26/385361526.db2.gz WHLKPZLAEMLHSV-PBWNMSGQSA-N 2 1 239.363 0.655 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000179149066 385369249 /nfs/dbraw/zinc/36/92/49/385369249.db2.gz JSUDFTXQTLKFAK-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000179149066 385369251 /nfs/dbraw/zinc/36/92/51/385369251.db2.gz JSUDFTXQTLKFAK-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP CN(Cc1cccnc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289428475 385445033 /nfs/dbraw/zinc/44/50/33/385445033.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 2 1 249.358 0.969 20 0 BCADMP C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000020266576 385456373 /nfs/dbraw/zinc/45/63/73/385456373.db2.gz NGSLCDQQVDSUJY-NSHDSACASA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+](Cc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000020266576 385456376 /nfs/dbraw/zinc/45/63/76/385456376.db2.gz NGSLCDQQVDSUJY-NSHDSACASA-N 2 1 212.268 0.577 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC[NH2+]CC2)C1 ZINC000257701292 385488537 /nfs/dbraw/zinc/48/85/37/385488537.db2.gz ODRYIYUOQFVUKB-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000257647062 385480658 /nfs/dbraw/zinc/48/06/58/385480658.db2.gz ANCFBPJWDBDUSN-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257670657 385485101 /nfs/dbraw/zinc/48/51/01/385485101.db2.gz GINCEYOXQWEWGF-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000257675138 385485350 /nfs/dbraw/zinc/48/53/50/385485350.db2.gz HKVQMEPZRSGTNU-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000257753624 385496036 /nfs/dbraw/zinc/49/60/36/385496036.db2.gz ZJJNCMUDZBDKDS-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000257747618 385496371 /nfs/dbraw/zinc/49/63/71/385496371.db2.gz ZECUMRTXXLCCBC-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000257770252 385498453 /nfs/dbraw/zinc/49/84/53/385498453.db2.gz KMQFBXDCJFBXEU-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000206532052 385489949 /nfs/dbraw/zinc/48/99/49/385489949.db2.gz XGLJNUMVBXVQML-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)CC[N@@H+]1C ZINC000309314542 385527725 /nfs/dbraw/zinc/52/77/25/385527725.db2.gz FUDQSOGLAKAZGU-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)CC[N@H+]1C ZINC000309314542 385527728 /nfs/dbraw/zinc/52/77/28/385527728.db2.gz FUDQSOGLAKAZGU-MXWKQRLJSA-N 2 1 225.336 0.289 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364990976 385557987 /nfs/dbraw/zinc/55/79/87/385557987.db2.gz XIVRUYOSRKRUJG-SDDRHHMPSA-N 2 1 239.363 0.666 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309381418 385559136 /nfs/dbraw/zinc/55/91/36/385559136.db2.gz RODXZURHJPLDEI-AXFHLTTASA-N 2 1 226.320 0.609 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000082651675 385627750 /nfs/dbraw/zinc/62/77/50/385627750.db2.gz XRGJNIPRTRWWDF-NEPJUHHUSA-N 2 1 222.336 0.942 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000335454641 385674912 /nfs/dbraw/zinc/67/49/12/385674912.db2.gz LBFLFSZIPWAURW-AOOOYVTPSA-N 2 1 223.320 0.030 20 0 BCADMP C(CN1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309536535 385676907 /nfs/dbraw/zinc/67/69/07/385676907.db2.gz FLMIOWCQQKAOGD-CHWSQXEVSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309536535 385676911 /nfs/dbraw/zinc/67/69/11/385676911.db2.gz FLMIOWCQQKAOGD-CHWSQXEVSA-N 2 1 223.364 0.909 20 0 BCADMP C(C[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309536535 385676918 /nfs/dbraw/zinc/67/69/18/385676918.db2.gz FLMIOWCQQKAOGD-CHWSQXEVSA-N 2 1 223.364 0.909 20 0 BCADMP C[C@@H](C[NH2+]C1CCN(C)CC1)C[NH+](C)C ZINC000336685216 385683918 /nfs/dbraw/zinc/68/39/18/385683918.db2.gz KPGUCINXASEHKU-NSHDSACASA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC)[C@@H](C)C1 ZINC000221709909 385687762 /nfs/dbraw/zinc/68/77/62/385687762.db2.gz HMFIFEJCTXNYAI-WDEREUQCSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000336693282 385738056 /nfs/dbraw/zinc/73/80/56/385738056.db2.gz RCNOVXRRIBGWJP-ZJUUUORDSA-N 2 1 200.326 0.687 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000270874304 385756317 /nfs/dbraw/zinc/75/63/17/385756317.db2.gz MHIWPLZXAMOHQG-JTQLQIEISA-N 2 1 238.335 0.681 20 0 BCADMP COC[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000282591650 385773212 /nfs/dbraw/zinc/77/32/12/385773212.db2.gz GYFBTFOCGGCOKJ-LLVKDONJSA-N 2 1 239.319 0.245 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336714016 385809060 /nfs/dbraw/zinc/80/90/60/385809060.db2.gz OYKXJKKCWVXPQC-IJLUTSLNSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336714016 385809067 /nfs/dbraw/zinc/80/90/67/385809067.db2.gz OYKXJKKCWVXPQC-IJLUTSLNSA-N 2 1 241.379 0.926 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000095020890 385832429 /nfs/dbraw/zinc/83/24/29/385832429.db2.gz GTGOOAZHSWVVDO-JTQLQIEISA-N 2 1 223.276 0.378 20 0 BCADMP C[C@@H](C[NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000262434626 385845719 /nfs/dbraw/zinc/84/57/19/385845719.db2.gz UFYHGBXFFKFAHE-QMMMGPOBSA-N 2 1 222.292 0.681 20 0 BCADMP C[C@H](C[NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000262434621 385846375 /nfs/dbraw/zinc/84/63/75/385846375.db2.gz UFYHGBXFFKFAHE-MRVPVSSYSA-N 2 1 222.292 0.681 20 0 BCADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000414867024 385795199 /nfs/dbraw/zinc/79/51/99/385795199.db2.gz NUGOSWHTALOCLQ-UTUOFQBUSA-N 3 1 211.353 0.716 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CC[NH2+][C@@H](C)C1 ZINC000647842582 385890850 /nfs/dbraw/zinc/89/08/50/385890850.db2.gz XGBYBNJDUCFDLJ-RYUDHWBXSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000647842532 385891618 /nfs/dbraw/zinc/89/16/18/385891618.db2.gz OGRXOZANMKCRTH-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000647842532 385891621 /nfs/dbraw/zinc/89/16/21/385891621.db2.gz OGRXOZANMKCRTH-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP CCN(C)C(=O)CC[N@@H+](C)CCC[NH3+] ZINC000647847401 385896401 /nfs/dbraw/zinc/89/64/01/385896401.db2.gz PETXATZTFHALJR-UHFFFAOYSA-N 2 1 201.314 0.135 20 0 BCADMP C[N@@H+](CCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000647847544 385899065 /nfs/dbraw/zinc/89/90/65/385899065.db2.gz SSAXFCWNPNMGBZ-TXEJJXNPSA-N 2 1 227.352 0.130 20 0 BCADMP CN(CCC[NH3+])CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000647847544 385899076 /nfs/dbraw/zinc/89/90/76/385899076.db2.gz SSAXFCWNPNMGBZ-TXEJJXNPSA-N 2 1 227.352 0.130 20 0 BCADMP CN(CCC[NH3+])CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000647847544 385899080 /nfs/dbraw/zinc/89/90/80/385899080.db2.gz SSAXFCWNPNMGBZ-TXEJJXNPSA-N 2 1 227.352 0.130 20 0 BCADMP CCCNCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414877480 385919758 /nfs/dbraw/zinc/91/97/58/385919758.db2.gz XPNPMZHHKPJGQG-NEPJUHHUSA-N 2 1 213.369 0.964 20 0 BCADMP CCC[NH2+]CCNC[C@H]1CC[NH2+][C@H](C)C1 ZINC000414877480 385919765 /nfs/dbraw/zinc/91/97/65/385919765.db2.gz XPNPMZHHKPJGQG-NEPJUHHUSA-N 2 1 213.369 0.964 20 0 BCADMP CCCNCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414877486 385920198 /nfs/dbraw/zinc/92/01/98/385920198.db2.gz XPNPMZHHKPJGQG-VXGBXAGGSA-N 2 1 213.369 0.964 20 0 BCADMP CCC[NH2+]CCNC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414877486 385920202 /nfs/dbraw/zinc/92/02/02/385920202.db2.gz XPNPMZHHKPJGQG-VXGBXAGGSA-N 2 1 213.369 0.964 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000335032297 385921087 /nfs/dbraw/zinc/92/10/87/385921087.db2.gz NQDWFLFNIQKKCO-GHMZBOCLSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+](CCCn1ccnc1)CC(C)(CO)CO ZINC000272027832 385869488 /nfs/dbraw/zinc/86/94/88/385869488.db2.gz WAYUARDIKRKOKA-UHFFFAOYSA-N 2 1 241.335 0.196 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000647827160 385874966 /nfs/dbraw/zinc/87/49/66/385874966.db2.gz NAAKKIVAWXAJTH-CHWSQXEVSA-N 2 1 241.379 0.378 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000647827161 385875168 /nfs/dbraw/zinc/87/51/68/385875168.db2.gz NAAKKIVAWXAJTH-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836740 385880013 /nfs/dbraw/zinc/88/00/13/385880013.db2.gz OREPBVOCMINYTF-CHWSQXEVSA-N 2 1 225.380 0.917 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836742 385880972 /nfs/dbraw/zinc/88/09/72/385880972.db2.gz OREPBVOCMINYTF-QWHCGFSZSA-N 2 1 225.380 0.917 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000338363937 385987386 /nfs/dbraw/zinc/98/73/86/385987386.db2.gz SDKMXQFEHFVAQI-ZDUSSCGKSA-N 2 1 241.379 0.916 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000414878215 385933131 /nfs/dbraw/zinc/93/31/31/385933131.db2.gz ODKMGGWAQPZCMN-UTUOFQBUSA-N 2 1 213.369 0.901 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@H](C)C1 ZINC000414878215 385933135 /nfs/dbraw/zinc/93/31/35/385933135.db2.gz ODKMGGWAQPZCMN-UTUOFQBUSA-N 3 1 213.369 0.901 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@H](C)C1 ZINC000414878215 385933141 /nfs/dbraw/zinc/93/31/41/385933141.db2.gz ODKMGGWAQPZCMN-UTUOFQBUSA-N 3 1 213.369 0.901 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000414878213 385933821 /nfs/dbraw/zinc/93/38/21/385933821.db2.gz ODKMGGWAQPZCMN-TUAOUCFPSA-N 2 1 213.369 0.901 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000414878213 385933824 /nfs/dbraw/zinc/93/38/24/385933824.db2.gz ODKMGGWAQPZCMN-TUAOUCFPSA-N 3 1 213.369 0.901 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000414878213 385933828 /nfs/dbraw/zinc/93/38/28/385933828.db2.gz ODKMGGWAQPZCMN-TUAOUCFPSA-N 3 1 213.369 0.901 20 0 BCADMP C[C@@H](CO)[NH+](C)CCC[N@H+](C)[C@@H](C)CO ZINC000342086872 385936560 /nfs/dbraw/zinc/93/65/60/385936560.db2.gz HVQCIFWIVHERCR-QWRGUYRKSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417445525 385938062 /nfs/dbraw/zinc/93/80/62/385938062.db2.gz HJDNRBAWZJKOHH-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP CC[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273328 385939137 /nfs/dbraw/zinc/93/91/37/385939137.db2.gz GPXZAWSZBFGUBT-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273328 385939144 /nfs/dbraw/zinc/93/91/44/385939144.db2.gz GPXZAWSZBFGUBT-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924064 385940010 /nfs/dbraw/zinc/94/00/10/385940010.db2.gz BGXCISISJTTYON-SECBINFHSA-N 2 1 213.325 0.276 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417448775 385952724 /nfs/dbraw/zinc/95/27/24/385952724.db2.gz WIVHTUPQAMZBAY-QWRGUYRKSA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417446117 385954649 /nfs/dbraw/zinc/95/46/49/385954649.db2.gz JRBZRUYNYCGKJZ-SNVBAGLBSA-N 2 1 230.356 0.317 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000338361065 385969725 /nfs/dbraw/zinc/96/97/25/385969725.db2.gz LNZUNADECHUEJH-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000417449376 385973261 /nfs/dbraw/zinc/97/32/61/385973261.db2.gz XTLQNPATOMPZLK-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000338431641 386000173 /nfs/dbraw/zinc/00/01/73/386000173.db2.gz RZWFQYRUXMKSNY-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000338431641 386000180 /nfs/dbraw/zinc/00/01/80/386000180.db2.gz RZWFQYRUXMKSNY-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000338431641 386000184 /nfs/dbraw/zinc/00/01/84/386000184.db2.gz RZWFQYRUXMKSNY-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000338462598 386012098 /nfs/dbraw/zinc/01/20/98/386012098.db2.gz LXUXDWWEKXXGJO-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP CC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000338462598 386012103 /nfs/dbraw/zinc/01/21/03/386012103.db2.gz LXUXDWWEKXXGJO-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336770702 386014737 /nfs/dbraw/zinc/01/47/37/386014737.db2.gz WVINVMSISYELCG-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336770702 386014741 /nfs/dbraw/zinc/01/47/41/386014741.db2.gz WVINVMSISYELCG-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417465230 386032197 /nfs/dbraw/zinc/03/21/97/386032197.db2.gz RVGBCOAWWNKWBS-LLVKDONJSA-N 2 1 242.367 0.378 20 0 BCADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978270 386039428 /nfs/dbraw/zinc/03/94/28/386039428.db2.gz RKHOIBWLBDWJRR-STQMWFEESA-N 2 1 243.395 0.685 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345311310 386100971 /nfs/dbraw/zinc/10/09/71/386100971.db2.gz DNGLFIPQXVMXJQ-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CN(C)c1nc(N2CC[C@@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000338689599 386103259 /nfs/dbraw/zinc/10/32/59/386103259.db2.gz PDEOOENWOISNQV-NSHDSACASA-N 2 1 249.362 0.931 20 0 BCADMP CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729343 386104973 /nfs/dbraw/zinc/10/49/73/386104973.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729343 386104978 /nfs/dbraw/zinc/10/49/78/386104978.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729343 386104980 /nfs/dbraw/zinc/10/49/80/386104980.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCOC1 ZINC000336729343 386104985 /nfs/dbraw/zinc/10/49/85/386104985.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCOC1 ZINC000336729343 386104986 /nfs/dbraw/zinc/10/49/86/386104986.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 1 242.363 0.410 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000054133283 386109376 /nfs/dbraw/zinc/10/93/76/386109376.db2.gz VGLXGFZMEPUNLX-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133400 386110091 /nfs/dbraw/zinc/11/00/91/386110091.db2.gz UONFLPAJNFMHRA-MNOVXSKESA-N 2 1 229.368 0.816 20 0 BCADMP CC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414663557 386112644 /nfs/dbraw/zinc/11/26/44/386112644.db2.gz BIIJGZHGCVPHLE-MNOVXSKESA-N 2 1 200.326 0.689 20 0 BCADMP CC[N@@H+](CCNC(=O)NCCC[NH3+])C(C)C ZINC000417469295 386058786 /nfs/dbraw/zinc/05/87/86/386058786.db2.gz ZETASXIYIIONGY-UHFFFAOYSA-N 2 1 230.356 0.365 20 0 BCADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649190 386059284 /nfs/dbraw/zinc/05/92/84/386059284.db2.gz CBKXUSIWLUIGHG-QJPTWQEYSA-N 3 1 211.353 0.668 20 0 BCADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649190 386059291 /nfs/dbraw/zinc/05/92/91/386059291.db2.gz CBKXUSIWLUIGHG-QJPTWQEYSA-N 3 1 211.353 0.668 20 0 BCADMP Cn1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1=O ZINC000647985071 386062286 /nfs/dbraw/zinc/06/22/86/386062286.db2.gz YASCQXGPEFGGHL-UHFFFAOYSA-N 2 1 235.331 0.699 20 0 BCADMP Cn1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1=O ZINC000647985071 386062293 /nfs/dbraw/zinc/06/22/93/386062293.db2.gz YASCQXGPEFGGHL-UHFFFAOYSA-N 2 1 235.331 0.699 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000054341255 386121936 /nfs/dbraw/zinc/12/19/36/386121936.db2.gz XDFLYTPRJATLSD-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000334440382 386068276 /nfs/dbraw/zinc/06/82/76/386068276.db2.gz WRONTSSIYITCPX-NWDGAFQWSA-N 2 1 239.363 0.633 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981679 386069300 /nfs/dbraw/zinc/06/93/00/386069300.db2.gz YGPVPQORQADGKX-OLZOCXBDSA-N 2 1 243.395 0.541 20 0 BCADMP C[C@H](C[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274384000 386096816 /nfs/dbraw/zinc/09/68/16/386096816.db2.gz BPVLKXGYMUAAKM-NEPJUHHUSA-N 2 1 249.358 0.970 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662525 386099092 /nfs/dbraw/zinc/09/90/92/386099092.db2.gz AGBICAHENZGLII-TUAOUCFPSA-N 3 1 223.364 0.785 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000414663483 386099562 /nfs/dbraw/zinc/09/95/62/386099562.db2.gz SEYJFWKIFNNAFW-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000414663483 386099567 /nfs/dbraw/zinc/09/95/67/386099567.db2.gz SEYJFWKIFNNAFW-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674205 386145740 /nfs/dbraw/zinc/14/57/40/386145740.db2.gz DHYQIGNQUGHCKR-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676158 386149916 /nfs/dbraw/zinc/14/99/16/386149916.db2.gz UUTFSVVLAXZXLZ-IJLUTSLNSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000414892224 386150832 /nfs/dbraw/zinc/15/08/32/386150832.db2.gz XNOSWGLRIXBXBD-CHWSQXEVSA-N 2 1 240.395 0.012 20 0 BCADMP CC[NH2+]CCNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000417488729 386155520 /nfs/dbraw/zinc/15/55/20/386155520.db2.gz OZRBCBSLNFAPGX-UHFFFAOYSA-N 2 1 242.367 0.379 20 0 BCADMP CC[N@@H+](CC(=O)NC[C@@H](C)[NH+](C)C)C1CC1 ZINC000343177144 386156511 /nfs/dbraw/zinc/15/65/11/386156511.db2.gz HZGJHCJARJQYRU-SNVBAGLBSA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681392 386163278 /nfs/dbraw/zinc/16/32/78/386163278.db2.gz VYNXLNRPGXQXIS-LBPRGKRZSA-N 2 1 241.379 0.772 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681947 386167841 /nfs/dbraw/zinc/16/78/41/386167841.db2.gz QELOQRSUYHVZFS-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP Cc1nccn1CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164632031 386168685 /nfs/dbraw/zinc/16/86/85/386168685.db2.gz GZYFVPINCCNVSB-ZYHUDNBSSA-N 2 1 223.320 0.894 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCNC(=O)[C@H]2C)CC[NH2+]1 ZINC000414691128 386184287 /nfs/dbraw/zinc/18/42/87/386184287.db2.gz JASGFVALVCYLFH-GMTAPVOTSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCNC(=O)[C@@H]2C)CC[NH2+]1 ZINC000414691133 386184695 /nfs/dbraw/zinc/18/46/95/386184695.db2.gz JASGFVALVCYLFH-OUAUKWLOSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[C@H](C[N@@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674602 386141671 /nfs/dbraw/zinc/14/16/71/386141671.db2.gz KTMATUWTDPWKNR-GHMZBOCLSA-N 2 1 212.337 0.831 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163258826 386142504 /nfs/dbraw/zinc/14/25/04/386142504.db2.gz MDNSLVJPPBPXBT-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163258826 386142509 /nfs/dbraw/zinc/14/25/09/386142509.db2.gz MDNSLVJPPBPXBT-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674606 386142500 /nfs/dbraw/zinc/14/25/00/386142500.db2.gz KTMATUWTDPWKNR-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP COCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414699317 386201656 /nfs/dbraw/zinc/20/16/56/386201656.db2.gz SXEYOOPEIPSINP-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000647880911 386202058 /nfs/dbraw/zinc/20/20/58/386202058.db2.gz BAEXCIHEGHKDFK-NSHDSACASA-N 2 1 238.335 0.564 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698899 386202369 /nfs/dbraw/zinc/20/23/69/386202369.db2.gz IKRLFIWETGZQSQ-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702526 386211412 /nfs/dbraw/zinc/21/14/12/386211412.db2.gz HWOIFBPMCMMHRT-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131744565 386214979 /nfs/dbraw/zinc/21/49/79/386214979.db2.gz YEHVNTFGBDBODS-ZYHUDNBSSA-N 2 1 247.342 0.955 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704802 386215128 /nfs/dbraw/zinc/21/51/28/386215128.db2.gz JRBPLZIMFMMOGX-UTUOFQBUSA-N 2 1 241.379 0.688 20 0 BCADMP COC(=O)CC[N@@H+](CCC[NH3+])CC(C)C ZINC000414709015 386222206 /nfs/dbraw/zinc/22/22/06/386222206.db2.gz QUDLJOVIQSDYSS-UHFFFAOYSA-N 2 1 216.325 0.856 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000414708543 386225590 /nfs/dbraw/zinc/22/55/90/386225590.db2.gz QPOQNWAZYXGYHF-LBPRGKRZSA-N 2 1 239.363 0.573 20 0 BCADMP CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215331819 386229848 /nfs/dbraw/zinc/22/98/48/386229848.db2.gz YPUJTFHQTRMJIL-WCQYABFASA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712675 386231254 /nfs/dbraw/zinc/23/12/54/386231254.db2.gz TUSGINIARYDDGE-GHMZBOCLSA-N 2 1 229.368 0.674 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414712675 386231256 /nfs/dbraw/zinc/23/12/56/386231256.db2.gz TUSGINIARYDDGE-GHMZBOCLSA-N 2 1 229.368 0.674 20 0 BCADMP COCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347117807 386233656 /nfs/dbraw/zinc/23/36/56/386233656.db2.gz UWDVBMFCPNFKKW-NSHDSACASA-N 2 1 238.335 0.310 20 0 BCADMP COCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347117807 386233665 /nfs/dbraw/zinc/23/36/65/386233665.db2.gz UWDVBMFCPNFKKW-NSHDSACASA-N 2 1 238.335 0.310 20 0 BCADMP NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882722 386237815 /nfs/dbraw/zinc/23/78/15/386237815.db2.gz VNBPFCWZYDOAEH-VXGBXAGGSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414732112 386288543 /nfs/dbraw/zinc/28/85/43/386288543.db2.gz FWGVDFJMGSWUFY-QJPTWQEYSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H](CN2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000414732112 386288548 /nfs/dbraw/zinc/28/85/48/386288548.db2.gz FWGVDFJMGSWUFY-QJPTWQEYSA-N 2 1 211.353 0.798 20 0 BCADMP CC1(C)C[N@@H+](CCOCC[NH3+])C(C)(C)CO1 ZINC000647885909 386292244 /nfs/dbraw/zinc/29/22/44/386292244.db2.gz KGHMBHQYNVLJRK-UHFFFAOYSA-N 2 1 230.352 0.851 20 0 BCADMP CC[C@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000339203613 386296225 /nfs/dbraw/zinc/29/62/25/386296225.db2.gz JJYCGOXYHHUDIH-ZDUSSCGKSA-N 2 1 245.411 0.573 20 0 BCADMP C[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205137 386300530 /nfs/dbraw/zinc/30/05/30/386300530.db2.gz NFEBMCAOKXRWEL-GFCCVEGCSA-N 2 1 231.384 0.183 20 0 BCADMP CC1(C)C[N@@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000133317064 386309642 /nfs/dbraw/zinc/30/96/42/386309642.db2.gz LEGHGOYNWBDTML-UHFFFAOYSA-N 2 1 243.420 0.719 20 0 BCADMP C[C@@H](O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336670411 386314746 /nfs/dbraw/zinc/31/47/46/386314746.db2.gz GQCHMTOWOYCCJO-GHMZBOCLSA-N 2 1 200.326 0.641 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336652093 386267204 /nfs/dbraw/zinc/26/72/04/386267204.db2.gz WJIQEXLHWPHMFP-VXGBXAGGSA-N 2 1 212.337 0.906 20 0 BCADMP C[C@H](O)C[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336656819 386274115 /nfs/dbraw/zinc/27/41/15/386274115.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)C[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336656819 386274118 /nfs/dbraw/zinc/27/41/18/386274118.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)C[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000336656819 386274120 /nfs/dbraw/zinc/27/41/20/386274120.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 2 1 230.352 0.146 20 0 BCADMP COC[C@H]1CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339290048 386340893 /nfs/dbraw/zinc/34/08/93/386340893.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@H](CNC(=O)NC(C)(C)C[NH3+])[N@@H+](C)C1CC1 ZINC000417549304 386341456 /nfs/dbraw/zinc/34/14/56/386341456.db2.gz JNQRKRQKLMDBAL-SECBINFHSA-N 2 1 242.367 0.506 20 0 BCADMP CNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277540 386342701 /nfs/dbraw/zinc/34/27/01/386342701.db2.gz JAUGWHOKVLWTTE-JTQLQIEISA-N 2 1 225.336 0.196 20 0 BCADMP C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970045 386344337 /nfs/dbraw/zinc/34/43/37/386344337.db2.gz ZFKXSIJTYOOYBC-GXTWGEPZSA-N 2 1 237.391 0.917 20 0 BCADMP C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970048 386346257 /nfs/dbraw/zinc/34/62/57/386346257.db2.gz ZFKXSIJTYOOYBC-TZMCWYRMSA-N 2 1 237.391 0.917 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000647989168 386346891 /nfs/dbraw/zinc/34/68/91/386346891.db2.gz SPANULKKJRBMBW-JQWIXIFHSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000647989168 386346898 /nfs/dbraw/zinc/34/68/98/386346898.db2.gz SPANULKKJRBMBW-JQWIXIFHSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000647989170 386348783 /nfs/dbraw/zinc/34/87/83/386348783.db2.gz SPANULKKJRBMBW-ZYHUDNBSSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000647989170 386348788 /nfs/dbraw/zinc/34/87/88/386348788.db2.gz SPANULKKJRBMBW-ZYHUDNBSSA-N 2 1 210.321 0.707 20 0 BCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414748495 386350934 /nfs/dbraw/zinc/35/09/34/386350934.db2.gz URCHUXKULFNJKK-CYBMUJFWSA-N 3 1 243.395 0.768 20 0 BCADMP C[C@H](C[NH3+])NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417552219 386356004 /nfs/dbraw/zinc/35/60/04/386356004.db2.gz QCOKGDODENEEMZ-BDAKNGLRSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H](CNC(=O)NCCCC[NH3+])[N@@H+](C)C1CC1 ZINC000417552075 386356104 /nfs/dbraw/zinc/35/61/04/386356104.db2.gz PWQMOENIFUQVKW-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417552638 386358739 /nfs/dbraw/zinc/35/87/39/386358739.db2.gz RPPLYROXRBRKPY-UWVGGRQHSA-N 2 1 242.367 0.506 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000417554555 386362400 /nfs/dbraw/zinc/36/24/00/386362400.db2.gz WITVKXQTRBXAGT-GUBZILKMSA-N 2 1 242.367 0.504 20 0 BCADMP C[N@@H+](CCCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000336732034 386369561 /nfs/dbraw/zinc/36/95/61/386369561.db2.gz ZEJHSAMTJMEBAZ-GFCCVEGCSA-N 2 1 238.331 0.707 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000647890766 386381702 /nfs/dbraw/zinc/38/17/02/386381702.db2.gz OWULAXWFULPPJS-CYBMUJFWSA-N 2 1 239.363 0.004 20 0 BCADMP CO[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1OC ZINC000414752491 386383839 /nfs/dbraw/zinc/38/38/39/386383839.db2.gz CCDAAYUFQMJVBN-XQHKEYJVSA-N 2 1 242.363 0.720 20 0 BCADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH2+]CC2 ZINC000335275607 386336569 /nfs/dbraw/zinc/33/65/69/386336569.db2.gz CMWVWTXAKASYJN-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCNC1=O ZINC000414767274 386439836 /nfs/dbraw/zinc/43/98/36/386439836.db2.gz SIAHNQMEDGSPOE-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417607986 386440968 /nfs/dbraw/zinc/44/09/68/386440968.db2.gz HXVSJRKXPWPTKG-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCC1C[NH2+]C1 ZINC000417616376 386443428 /nfs/dbraw/zinc/44/34/28/386443428.db2.gz YUNKAHQUGMMWAU-UHFFFAOYSA-N 2 1 242.367 0.237 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855382 386448952 /nfs/dbraw/zinc/44/89/52/386448952.db2.gz USSHNDXEMKEBBY-JTQLQIEISA-N 2 1 222.292 0.045 20 0 BCADMP CO[C@H]1COC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000290135512 386397709 /nfs/dbraw/zinc/39/77/09/386397709.db2.gz MFFHHBXQTYGNQS-RYUDHWBXSA-N 2 1 239.319 0.585 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000093232479 386406475 /nfs/dbraw/zinc/40/64/75/386406475.db2.gz UNNKBHVETOCDHS-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000093232479 386406481 /nfs/dbraw/zinc/40/64/81/386406481.db2.gz UNNKBHVETOCDHS-CYBMUJFWSA-N 2 1 241.379 0.522 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760228 386413580 /nfs/dbraw/zinc/41/35/80/386413580.db2.gz GUUMQBUJJWONIS-IRCOFANPSA-N 3 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000414760228 386413582 /nfs/dbraw/zinc/41/35/82/386413582.db2.gz GUUMQBUJJWONIS-IRCOFANPSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1N ZINC000414760228 386413588 /nfs/dbraw/zinc/41/35/88/386413588.db2.gz GUUMQBUJJWONIS-IRCOFANPSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H]([NH3+])CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000442665600 386415388 /nfs/dbraw/zinc/41/53/88/386415388.db2.gz NEPYRVYGHWWYAT-NWDGAFQWSA-N 2 1 241.379 0.519 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000417591626 386416224 /nfs/dbraw/zinc/41/62/24/386416224.db2.gz XHIDJLFYXXKCQX-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCN(C)CC1(C)C ZINC000347496134 386422194 /nfs/dbraw/zinc/42/21/94/386422194.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000347496134 386422203 /nfs/dbraw/zinc/42/22/03/386422203.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000347496134 386422211 /nfs/dbraw/zinc/42/22/11/386422211.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347496134 386422224 /nfs/dbraw/zinc/42/22/24/386422224.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 2 1 241.379 0.881 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000336709847 386422441 /nfs/dbraw/zinc/42/24/41/386422441.db2.gz QCJXTTBRHCRRNW-CYBMUJFWSA-N 2 1 236.363 0.846 20 0 BCADMP C[N@@H+](CCNC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000134560333 386425025 /nfs/dbraw/zinc/42/50/25/386425025.db2.gz PKPKESIPNNGPKS-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CCC1 ZINC000061458122 386466286 /nfs/dbraw/zinc/46/62/86/386466286.db2.gz SOYIBZPBJKTGBA-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000391591575 386469399 /nfs/dbraw/zinc/46/93/99/386469399.db2.gz FLRRSVHXQFANSW-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774747 386472676 /nfs/dbraw/zinc/47/26/76/386472676.db2.gz FWJXRFOGCQDXQF-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287574 386476415 /nfs/dbraw/zinc/47/64/15/386476415.db2.gz PAQODDKOGYATHE-VIFPVBQESA-N 2 1 228.340 0.117 20 0 BCADMP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000417287363 386476457 /nfs/dbraw/zinc/47/64/57/386476457.db2.gz OOYSYEDEZJLXTM-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP C[NH2+]C[C@@](C)(O)CN1CCC(C[NH+](C)C)CC1 ZINC000519544371 386481481 /nfs/dbraw/zinc/48/14/81/386481481.db2.gz JGTKUIBSOAVGNM-CYBMUJFWSA-N 2 1 243.395 0.230 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011135 386484546 /nfs/dbraw/zinc/48/45/46/386484546.db2.gz QEQDSHJWQZOZIE-IUCAKERBSA-N 2 1 233.319 0.794 20 0 BCADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011131 386485019 /nfs/dbraw/zinc/48/50/19/386485019.db2.gz QEQDSHJWQZOZIE-BDAKNGLRSA-N 2 1 233.319 0.794 20 0 BCADMP CC[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335435881 386495324 /nfs/dbraw/zinc/49/53/24/386495324.db2.gz KMGCPBLQYBCKJE-NXEZZACHSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780513 386497836 /nfs/dbraw/zinc/49/78/36/386497836.db2.gz BMFWWIWAWCXROC-LOWDOPEQSA-N 3 1 223.364 0.668 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780513 386497839 /nfs/dbraw/zinc/49/78/39/386497839.db2.gz BMFWWIWAWCXROC-LOWDOPEQSA-N 3 1 223.364 0.668 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCN2CCO[C@@H](C)C2)C1 ZINC000519606877 386502208 /nfs/dbraw/zinc/50/22/08/386502208.db2.gz OGYFCTCJUUXSKL-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[NH2+]C[C@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000519606877 386502215 /nfs/dbraw/zinc/50/22/15/386502215.db2.gz OGYFCTCJUUXSKL-QWHCGFSZSA-N 2 1 241.379 0.248 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049792 386506856 /nfs/dbraw/zinc/50/68/56/386506856.db2.gz BHPJUSNVLGHBAM-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049792 386506858 /nfs/dbraw/zinc/50/68/58/386506858.db2.gz BHPJUSNVLGHBAM-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP CC[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000647936300 386513218 /nfs/dbraw/zinc/51/32/18/386513218.db2.gz BCWOXDKUPOMBPE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335447313 386514152 /nfs/dbraw/zinc/51/41/52/386514152.db2.gz DPQAQYJYHPDZBY-QWRGUYRKSA-N 2 1 220.320 0.759 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449151 386517854 /nfs/dbraw/zinc/51/78/54/386517854.db2.gz WCVNRUGOXJKJSM-WDEREUQCSA-N 3 1 209.337 0.267 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449151 386517860 /nfs/dbraw/zinc/51/78/60/386517860.db2.gz WCVNRUGOXJKJSM-WDEREUQCSA-N 3 1 209.337 0.267 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460112 386454189 /nfs/dbraw/zinc/45/41/89/386454189.db2.gz BKXQUSIPXXHKRM-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP [NH3+]CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417141604 386455864 /nfs/dbraw/zinc/45/58/64/386455864.db2.gz RMTDBRICGHLAMP-GHMZBOCLSA-N 2 1 240.351 0.261 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772741 386463517 /nfs/dbraw/zinc/46/35/17/386463517.db2.gz VKISRBBJUYFLNM-MCIONIFRSA-N 3 1 237.391 0.917 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772741 386463520 /nfs/dbraw/zinc/46/35/20/386463520.db2.gz VKISRBBJUYFLNM-MCIONIFRSA-N 2 1 237.391 0.917 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094648194 386465868 /nfs/dbraw/zinc/46/58/68/386465868.db2.gz UOLXMTUOEDXJKA-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP NCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978097 386577851 /nfs/dbraw/zinc/57/78/51/386577851.db2.gz MODMTCSGYOPKJT-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978097 386577860 /nfs/dbraw/zinc/57/78/60/386577860.db2.gz MODMTCSGYOPKJT-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978097 386577866 /nfs/dbraw/zinc/57/78/66/386577866.db2.gz MODMTCSGYOPKJT-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978097 386577873 /nfs/dbraw/zinc/57/78/73/386577873.db2.gz MODMTCSGYOPKJT-RYUDHWBXSA-N 3 1 211.353 0.657 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977840 386578887 /nfs/dbraw/zinc/57/88/87/386578887.db2.gz IUQAGSBWMFXDOP-GHMZBOCLSA-N 2 1 225.336 0.183 20 0 BCADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923594 386581860 /nfs/dbraw/zinc/58/18/60/386581860.db2.gz IQDJYAFHEQOWEL-SRVKXCTJSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905022 386583145 /nfs/dbraw/zinc/58/31/45/386583145.db2.gz LLTMALKATFMWDJ-IJLUTSLNSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905615 386596227 /nfs/dbraw/zinc/59/62/27/386596227.db2.gz KXRDWVQGMRVVKM-ZYHUDNBSSA-N 2 1 235.331 0.554 20 0 BCADMP CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519703080 386535958 /nfs/dbraw/zinc/53/59/58/386535958.db2.gz DUWAQSCVJSRLLC-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000519699402 386537338 /nfs/dbraw/zinc/53/73/38/386537338.db2.gz FKPHXZUGPINQTA-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000519699402 386537341 /nfs/dbraw/zinc/53/73/41/386537341.db2.gz FKPHXZUGPINQTA-UWVGGRQHSA-N 2 1 243.376 0.107 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519707694 386538721 /nfs/dbraw/zinc/53/87/21/386538721.db2.gz FYUMCHOAHKYGKW-NWDGAFQWSA-N 3 1 213.369 0.949 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](O)C1 ZINC000061708384 386545854 /nfs/dbraw/zinc/54/58/54/386545854.db2.gz JUYYVNBMQRTNNE-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](O)C1 ZINC000061708384 386545855 /nfs/dbraw/zinc/54/58/55/386545855.db2.gz JUYYVNBMQRTNNE-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](O)C1 ZINC000061708384 386545857 /nfs/dbraw/zinc/54/58/57/386545857.db2.gz JUYYVNBMQRTNNE-NEPJUHHUSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414791761 386549748 /nfs/dbraw/zinc/54/97/48/386549748.db2.gz QYPBQKUWGPTRCQ-KXNHARMFSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414791761 386549751 /nfs/dbraw/zinc/54/97/51/386549751.db2.gz QYPBQKUWGPTRCQ-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[C@@H](N)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414791761 386549755 /nfs/dbraw/zinc/54/97/55/386549755.db2.gz QYPBQKUWGPTRCQ-KXNHARMFSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196298 386552120 /nfs/dbraw/zinc/55/21/20/386552120.db2.gz CUWGHFYGJHTBAT-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196298 386552127 /nfs/dbraw/zinc/55/21/27/386552127.db2.gz CUWGHFYGJHTBAT-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1O)C1CC1 ZINC000519774074 386553591 /nfs/dbraw/zinc/55/35/91/386553591.db2.gz LZWLEWQSYCBGDC-AVGNSLFASA-N 2 1 242.363 0.335 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1O)C1CC1 ZINC000519774074 386553598 /nfs/dbraw/zinc/55/35/98/386553598.db2.gz LZWLEWQSYCBGDC-AVGNSLFASA-N 2 1 242.363 0.335 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000335409906 386571050 /nfs/dbraw/zinc/57/10/50/386571050.db2.gz QXTONCVAHVEWNB-NEPJUHHUSA-N 2 1 237.347 0.245 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335409906 386571053 /nfs/dbraw/zinc/57/10/53/386571053.db2.gz QXTONCVAHVEWNB-NEPJUHHUSA-N 2 1 237.347 0.245 20 0 BCADMP Cn1nncc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000329172829 386625825 /nfs/dbraw/zinc/62/58/25/386625825.db2.gz LCZONXSZCFBWKU-UHFFFAOYSA-N 2 1 246.318 0.849 20 0 BCADMP COC(=O)[C@@]1(C)CCC[N@@H+](CCC[NH3+])C1 ZINC000415139579 386634782 /nfs/dbraw/zinc/63/47/82/386634782.db2.gz LSCVVYKIYVWPQA-NSHDSACASA-N 2 1 214.309 0.610 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415129377 386635631 /nfs/dbraw/zinc/63/56/31/386635631.db2.gz UNTBKIHPARXERB-VXGBXAGGSA-N 3 1 213.369 0.916 20 0 BCADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000336758685 386638086 /nfs/dbraw/zinc/63/80/86/386638086.db2.gz IMLCRCITUJZBOE-WOPDTQHZSA-N 2 1 230.352 0.578 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000337190279 386641413 /nfs/dbraw/zinc/64/14/13/386641413.db2.gz SIWZLKHPEDARJX-ZDEQEGDKSA-N 2 1 242.363 0.551 20 0 BCADMP C[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000337190277 386642111 /nfs/dbraw/zinc/64/21/11/386642111.db2.gz SIWZLKHPEDARJX-UMSGYPCISA-N 2 1 242.363 0.551 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000339806890 386652612 /nfs/dbraw/zinc/65/26/12/386652612.db2.gz RRKMDILQQFZKEN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000339806890 386652621 /nfs/dbraw/zinc/65/26/21/386652621.db2.gz RRKMDILQQFZKEN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000339806890 386652628 /nfs/dbraw/zinc/65/26/28/386652628.db2.gz RRKMDILQQFZKEN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CCCO)C[C@H](O)CN(C)C1CC1 ZINC000336645338 386599289 /nfs/dbraw/zinc/59/92/89/386599289.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@H+](CCCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336645338 386599308 /nfs/dbraw/zinc/59/93/08/386599308.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](CCCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000336645338 386599313 /nfs/dbraw/zinc/59/93/13/386599313.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336645338 386599319 /nfs/dbraw/zinc/59/93/19/386599319.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](CCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336645338 386599324 /nfs/dbraw/zinc/59/93/24/386599324.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 1 230.352 0.146 20 0 BCADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000415090598 386611282 /nfs/dbraw/zinc/61/12/82/386611282.db2.gz YDYABSAEDJTFDP-LLVKDONJSA-N 2 1 230.315 0.988 20 0 BCADMP COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343248537 386659791 /nfs/dbraw/zinc/65/97/91/386659791.db2.gz INYHCEMPTSUSBC-UPJWGTAASA-N 2 1 242.363 0.770 20 0 BCADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414820103 386666192 /nfs/dbraw/zinc/66/61/92/386666192.db2.gz AGQRECWRYOKHSO-VXGBXAGGSA-N 2 1 213.369 0.916 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647954464 386682660 /nfs/dbraw/zinc/68/26/60/386682660.db2.gz NJPMBAYDXCVFEE-QWHCGFSZSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647954465 386680749 /nfs/dbraw/zinc/68/07/49/386680749.db2.gz NJPMBAYDXCVFEE-STQMWFEESA-N 2 1 242.363 0.853 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954731 386681527 /nfs/dbraw/zinc/68/15/27/386681527.db2.gz UPHXJZGKZWLELD-NEPJUHHUSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954731 386681536 /nfs/dbraw/zinc/68/15/36/386681536.db2.gz UPHXJZGKZWLELD-NEPJUHHUSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@@]1(CN)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954731 386681541 /nfs/dbraw/zinc/68/15/41/386681541.db2.gz UPHXJZGKZWLELD-NEPJUHHUSA-N 2 1 211.353 0.657 20 0 BCADMP Cn1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1=O ZINC000647951245 386658237 /nfs/dbraw/zinc/65/82/37/386658237.db2.gz MUDIWAYELGFUSI-GFCCVEGCSA-N 2 1 249.358 0.946 20 0 BCADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH2+]C)cn1 ZINC000414830751 386709747 /nfs/dbraw/zinc/70/97/47/386709747.db2.gz CJZWLFFSRRDPDP-JTQLQIEISA-N 2 1 210.325 0.848 20 0 BCADMP CN(C(=O)C1(C)C[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000335483607 386711354 /nfs/dbraw/zinc/71/13/54/386711354.db2.gz OVUKLYGUDCNBRT-LLVKDONJSA-N 2 1 237.347 0.291 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907741 386699043 /nfs/dbraw/zinc/69/90/43/386699043.db2.gz NYCYNNIHSJQHON-FVCCEPFGSA-N 3 1 223.364 0.655 20 0 BCADMP C[C@@H]1CC[N@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000526944176 386700032 /nfs/dbraw/zinc/70/00/32/386700032.db2.gz ZPHVFTWVANQRHP-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[NH+](C)C)C1 ZINC000526944176 386700039 /nfs/dbraw/zinc/70/00/39/386700039.db2.gz ZPHVFTWVANQRHP-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@]1(F)CNCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000335477905 386704369 /nfs/dbraw/zinc/70/43/69/386704369.db2.gz COMKARYKXSMHOO-LBPRGKRZSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(CC2CC[NH2+]CC2)C1 ZINC000335477905 386704378 /nfs/dbraw/zinc/70/43/78/386704378.db2.gz COMKARYKXSMHOO-LBPRGKRZSA-N 2 1 229.343 0.619 20 0 BCADMP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000357069029 386708023 /nfs/dbraw/zinc/70/80/23/386708023.db2.gz FECLHDSTJNKQMH-GMXVVIOVSA-N 2 1 249.358 0.291 20 0 BCADMP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000357069029 386708028 /nfs/dbraw/zinc/70/80/28/386708028.db2.gz FECLHDSTJNKQMH-GMXVVIOVSA-N 2 1 249.358 0.291 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357253949 386747358 /nfs/dbraw/zinc/74/73/58/386747358.db2.gz XOUNVTPTMWGLGA-MWLCHTKSSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000336664326 386761589 /nfs/dbraw/zinc/76/15/89/386761589.db2.gz DVHZPVHCWZHVMS-SECBINFHSA-N 2 1 201.314 0.051 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357236381 386744397 /nfs/dbraw/zinc/74/43/97/386744397.db2.gz CVMZDWAVLXKZCK-KKZNHRDASA-N 2 1 225.336 0.180 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)CC[N@H+]1C ZINC000340415942 386779418 /nfs/dbraw/zinc/77/94/18/386779418.db2.gz YWIUPJCGHNAPEE-FDYHWXHSSA-N 2 1 242.363 0.599 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH2+]CC1 ZINC000417811783 386780344 /nfs/dbraw/zinc/78/03/44/386780344.db2.gz KBHCYARBSOKVKZ-UHFFFAOYSA-N 2 1 242.367 0.333 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000334760303 386818616 /nfs/dbraw/zinc/81/86/16/386818616.db2.gz QOXXRKKJOSEZJQ-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOCC[NH3+] ZINC000336671102 386812075 /nfs/dbraw/zinc/81/20/75/386812075.db2.gz NQMRFLUZWDNDNM-NSHDSACASA-N 3 1 217.357 0.267 20 0 BCADMP CC(C)[C@@H]([NH3+])CCN(C)CCOCC[NH3+] ZINC000336671102 386812078 /nfs/dbraw/zinc/81/20/78/386812078.db2.gz NQMRFLUZWDNDNM-NSHDSACASA-N 2 1 217.357 0.267 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336670724 386814176 /nfs/dbraw/zinc/81/41/76/386814176.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336670724 386814181 /nfs/dbraw/zinc/81/41/81/386814181.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCC1)C1CC1 ZINC000336670724 386814187 /nfs/dbraw/zinc/81/41/87/386814187.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCC1)C1CC1 ZINC000336670724 386814190 /nfs/dbraw/zinc/81/41/90/386814190.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558359 386837283 /nfs/dbraw/zinc/83/72/83/386837283.db2.gz VWCUIPGGQYFDJK-UWVGGRQHSA-N 2 1 231.315 0.143 20 0 BCADMP c1ncn2c1CN(C[C@H]1CCOC1)CC2 ZINC000647939337 386841419 /nfs/dbraw/zinc/84/14/19/386841419.db2.gz KHPDOLGEIFICDW-SNVBAGLBSA-N 2 1 207.277 0.735 20 0 BCADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341309531 386891544 /nfs/dbraw/zinc/89/15/44/386891544.db2.gz XVFJVMRJUUDKSE-NSHDSACASA-N 2 1 229.368 0.641 20 0 BCADMP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)[C@H](C)[NH3+] ZINC000367285687 386854420 /nfs/dbraw/zinc/85/44/20/386854420.db2.gz FVQXFQDMHCZTEZ-GJMOJQLCSA-N 2 1 235.278 0.035 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006202 386863519 /nfs/dbraw/zinc/86/35/19/386863519.db2.gz PXYYWBVIHAAXGS-MXWKQRLJSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418006957 386865748 /nfs/dbraw/zinc/86/57/48/386865748.db2.gz QQYHJHWXWYKTAM-OUAUKWLOSA-N 2 1 242.367 0.363 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418006956 386866008 /nfs/dbraw/zinc/86/60/08/386866008.db2.gz QQYHJHWXWYKTAM-MXWKQRLJSA-N 2 1 242.367 0.363 20 0 BCADMP CCC1(C[N@@H+]2CCO[C@H](C[NH3+])C2)CCOCC1 ZINC000357953625 386872023 /nfs/dbraw/zinc/87/20/23/386872023.db2.gz CQVAACULSLGBSN-GFCCVEGCSA-N 2 1 242.363 0.853 20 0 BCADMP CCC1(C[N@H+]2CCO[C@H](C[NH3+])C2)CCOCC1 ZINC000357953625 386872031 /nfs/dbraw/zinc/87/20/31/386872031.db2.gz CQVAACULSLGBSN-GFCCVEGCSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH+](C)C ZINC000341274500 386875296 /nfs/dbraw/zinc/87/52/96/386875296.db2.gz CBIMFARPHKICQX-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000418010098 386882633 /nfs/dbraw/zinc/88/26/33/386882633.db2.gz VKDUBHXCHAPSGW-VWYCJHECSA-N 2 1 242.367 0.376 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418012777 386906762 /nfs/dbraw/zinc/90/67/62/386906762.db2.gz YKNSVOBQXYXWLB-KXUCPTDWSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331821205 386911936 /nfs/dbraw/zinc/91/19/36/386911936.db2.gz ZGUDSWHAQZDEOW-KKZNHRDASA-N 2 1 240.351 0.116 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358256379 386921524 /nfs/dbraw/zinc/92/15/24/386921524.db2.gz SNQHRVJXCFDEKL-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358256379 386921531 /nfs/dbraw/zinc/92/15/31/386921531.db2.gz SNQHRVJXCFDEKL-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358256385 386922187 /nfs/dbraw/zinc/92/21/87/386922187.db2.gz SNQHRVJXCFDEKL-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP COC[C@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358256385 386922190 /nfs/dbraw/zinc/92/21/90/386922190.db2.gz SNQHRVJXCFDEKL-STQMWFEESA-N 2 1 244.379 0.704 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984469 386925579 /nfs/dbraw/zinc/92/55/79/386925579.db2.gz XQTDFTBFVAPKOV-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000368007790 386928832 /nfs/dbraw/zinc/92/88/32/386928832.db2.gz RDHVALGQWZNWOH-DJLDLDEBSA-N 2 1 247.289 0.179 20 0 BCADMP Cc1[nH+]c(CNC(=O)[C@@H](C)[NH3+])c2n1CCCC2 ZINC000368015648 386930301 /nfs/dbraw/zinc/93/03/01/386930301.db2.gz ASCHOUKYKARLFO-MRVPVSSYSA-N 2 1 236.319 0.491 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320942 386932542 /nfs/dbraw/zinc/93/25/42/386932542.db2.gz MZKVLRRBTPMMTK-LLVKDONJSA-N 2 1 248.330 0.691 20 0 BCADMP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335833855 386934186 /nfs/dbraw/zinc/93/41/86/386934186.db2.gz WZFHLIPZGIILTB-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000334817922 386945431 /nfs/dbraw/zinc/94/54/31/386945431.db2.gz ADYRUYNGEQSTPX-YPMHNXCESA-N 3 1 225.380 0.903 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](COC)C1 ZINC000518990833 386975702 /nfs/dbraw/zinc/97/57/02/386975702.db2.gz SONIKZUUODTDRB-RYUDHWBXSA-N 2 1 230.352 0.315 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368561463 386984976 /nfs/dbraw/zinc/98/49/76/386984976.db2.gz LKFSDLZUMGACKX-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906925 386987048 /nfs/dbraw/zinc/98/70/48/386987048.db2.gz YNZAJBZKKVJUKA-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906925 386987052 /nfs/dbraw/zinc/98/70/52/386987052.db2.gz YNZAJBZKKVJUKA-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000334921168 386996937 /nfs/dbraw/zinc/99/69/37/386996937.db2.gz DLGMIPHDFUFFDL-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398998475 387036562 /nfs/dbraw/zinc/03/65/62/387036562.db2.gz BKLDRYRWUGVMHR-PWSUYJOCSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399005910 387036767 /nfs/dbraw/zinc/03/67/67/387036767.db2.gz YBHJFGPEEJUSSM-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000648108006 387053373 /nfs/dbraw/zinc/05/33/73/387053373.db2.gz LGPUMLHALRWNFM-DDHJBXDOSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@]1(F)CNCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970789 387055569 /nfs/dbraw/zinc/05/55/69/387055569.db2.gz GIKIIHTWCUTYAM-RYUDHWBXSA-N 2 1 229.343 0.619 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970789 387055576 /nfs/dbraw/zinc/05/55/76/387055576.db2.gz GIKIIHTWCUTYAM-RYUDHWBXSA-N 2 1 229.343 0.619 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126886265 387057542 /nfs/dbraw/zinc/05/75/42/387057542.db2.gz RUJGRKLRITXOFM-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126886265 387057546 /nfs/dbraw/zinc/05/75/46/387057546.db2.gz RUJGRKLRITXOFM-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H]([NH2+]CCC(N)=O)C1=CC[N@@H+](C)CC1 ZINC000519144223 387020963 /nfs/dbraw/zinc/02/09/63/387020963.db2.gz SYSLBKCUCTXKCP-VIFPVBQESA-N 2 1 211.309 0.102 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)[C@@H]1CCC[NH2+]1 ZINC000333294683 387026704 /nfs/dbraw/zinc/02/67/04/387026704.db2.gz PDBYBVZGNDZECY-WOPDTQHZSA-N 2 1 249.362 0.713 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070316059 387066156 /nfs/dbraw/zinc/06/61/56/387066156.db2.gz YFWHQBORIHQALT-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@@H]1CCCC[NH2+]1 ZINC000333339487 387028313 /nfs/dbraw/zinc/02/83/13/387028313.db2.gz XSYRGSXXDUDTIY-GMXVVIOVSA-N 2 1 239.363 0.775 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949788 387028730 /nfs/dbraw/zinc/02/87/30/387028730.db2.gz BHHWLVGBIVJJMF-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](CO)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766764 387070110 /nfs/dbraw/zinc/07/01/10/387070110.db2.gz OROGFPDSAAVXBO-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H](CO)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766764 387070114 /nfs/dbraw/zinc/07/01/14/387070114.db2.gz OROGFPDSAAVXBO-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000127131896 387078365 /nfs/dbraw/zinc/07/83/65/387078365.db2.gz HKOHWBUYNKXXKS-NWDGAFQWSA-N 2 1 241.379 0.831 20 0 BCADMP c1cnn(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334993418 387084125 /nfs/dbraw/zinc/08/41/25/387084125.db2.gz QJMASEYMTVLNQT-ZDUSSCGKSA-N 2 1 234.347 0.959 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695679 387085372 /nfs/dbraw/zinc/08/53/72/387085372.db2.gz PZTHTAFKXGNQHA-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695679 387085374 /nfs/dbraw/zinc/08/53/74/387085374.db2.gz PZTHTAFKXGNQHA-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1CCCC1 ZINC000071377509 387102845 /nfs/dbraw/zinc/10/28/45/387102845.db2.gz ILQGCXBRLWWOCL-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370304258 387107887 /nfs/dbraw/zinc/10/78/87/387107887.db2.gz XKWDHAUCPGLCGX-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000335030718 387124333 /nfs/dbraw/zinc/12/43/33/387124333.db2.gz PMRUEIDRIJRCAD-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](CCOC)C1 ZINC000423299716 387128884 /nfs/dbraw/zinc/12/88/84/387128884.db2.gz QMXXUDPJXFZRCC-OLZOCXBDSA-N 2 1 243.395 0.814 20 0 BCADMP CCCC[C@@H](C[NH3+])N[C@H]1CC[N@@H+](CCOC)C1 ZINC000423299718 387129944 /nfs/dbraw/zinc/12/99/44/387129944.db2.gz QMXXUDPJXFZRCC-STQMWFEESA-N 2 1 243.395 0.814 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305769 387141921 /nfs/dbraw/zinc/14/19/21/387141921.db2.gz RIFYWLYSTIMCIR-WOPDTQHZSA-N 2 1 211.353 0.668 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305768 387142043 /nfs/dbraw/zinc/14/20/43/387142043.db2.gz RIFYWLYSTIMCIR-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP CN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1CC1 ZINC000571696290 387149913 /nfs/dbraw/zinc/14/99/13/387149913.db2.gz WCMWALBKEJKQSC-MRVPVSSYSA-N 2 1 235.278 0.166 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423314147 387154088 /nfs/dbraw/zinc/15/40/88/387154088.db2.gz GRSAELUKEUIUJG-YNEHKIRRSA-N 2 1 243.395 0.541 20 0 BCADMP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423314146 387154301 /nfs/dbraw/zinc/15/43/01/387154301.db2.gz GRSAELUKEUIUJG-RWMBFGLXSA-N 2 1 243.395 0.541 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000250243165 387154648 /nfs/dbraw/zinc/15/46/48/387154648.db2.gz MYKPOFHKNQWAPD-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761614 387163608 /nfs/dbraw/zinc/16/36/08/387163608.db2.gz SDSRFCAXZUHWHY-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000423327479 387170268 /nfs/dbraw/zinc/17/02/68/387170268.db2.gz RQMYRDWBKZLCRY-MVWJERBFSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423329025 387172964 /nfs/dbraw/zinc/17/29/64/387172964.db2.gz BCQNVWLGXVSHRZ-WCBMZHEXSA-N 2 1 233.306 0.653 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423329025 387172967 /nfs/dbraw/zinc/17/29/67/387172967.db2.gz BCQNVWLGXVSHRZ-WCBMZHEXSA-N 2 1 233.306 0.653 20 0 BCADMP CC[C@@]1(C(=O)N2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062887209 387175723 /nfs/dbraw/zinc/17/57/23/387175723.db2.gz FUYXKNYOSFFCOB-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423333603 387180234 /nfs/dbraw/zinc/18/02/34/387180234.db2.gz QCSUKMGPDINCTK-UHFFFAOYSA-N 2 1 236.319 0.307 20 0 BCADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229601027 387187288 /nfs/dbraw/zinc/18/72/88/387187288.db2.gz NGZLZRVQBVTSHD-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH3+] ZINC000418101075 387132754 /nfs/dbraw/zinc/13/27/54/387132754.db2.gz QXSFHFMQQXEJGA-JTQLQIEISA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000353109431 387140145 /nfs/dbraw/zinc/14/01/45/387140145.db2.gz GWVNPQYRCOYVQW-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCOC1 ZINC000423353007 387206043 /nfs/dbraw/zinc/20/60/43/387206043.db2.gz AWILBEFWTGDDIJ-WYUUTHIRSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000423356499 387208608 /nfs/dbraw/zinc/20/86/08/387208608.db2.gz JZYUGLTXBUFMIG-UPJWGTAASA-N 2 1 241.379 0.485 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH2+]C ZINC000418200260 387211085 /nfs/dbraw/zinc/21/10/85/387211085.db2.gz KITTZWFRQMLCKI-LLVKDONJSA-N 2 1 244.383 0.625 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000418200467 387211666 /nfs/dbraw/zinc/21/16/66/387211666.db2.gz QFEKILXWRYMIKK-MNOVXSKESA-N 2 1 244.383 0.609 20 0 BCADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH3+])cn1 ZINC000423361273 387211944 /nfs/dbraw/zinc/21/19/44/387211944.db2.gz AAZHUWKHSZOZFA-ZJUUUORDSA-N 2 1 223.320 0.958 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000418196773 387216247 /nfs/dbraw/zinc/21/62/47/387216247.db2.gz IHDIPDGQTPNXKN-JTQLQIEISA-N 2 1 244.383 0.752 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000572001771 387218672 /nfs/dbraw/zinc/21/86/72/387218672.db2.gz UFFCIQDBRLLUOX-GFCCVEGCSA-N 2 1 227.352 0.526 20 0 BCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418210279 387222385 /nfs/dbraw/zinc/22/23/85/387222385.db2.gz XLMGEEZJSWRGGU-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418210277 387222632 /nfs/dbraw/zinc/22/26/32/387222632.db2.gz XLMGEEZJSWRGGU-GHMZBOCLSA-N 2 1 244.383 0.753 20 0 BCADMP CO[C@H]1COC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000290043065 387229299 /nfs/dbraw/zinc/22/92/99/387229299.db2.gz CTDYNJRTTGPDQB-QWRGUYRKSA-N 2 1 225.292 0.195 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C[C@]1(C)CC[NH2+]C1 ZINC000572121253 387239353 /nfs/dbraw/zinc/23/93/53/387239353.db2.gz MHOUMZCFDLYOQE-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C[C@]1(C)CC[NH2+]C1 ZINC000572121253 387239358 /nfs/dbraw/zinc/23/93/58/387239358.db2.gz MHOUMZCFDLYOQE-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP COC[C@]1(C[NH2+][C@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000423422868 387250228 /nfs/dbraw/zinc/25/02/28/387250228.db2.gz ZIZCFOBBZGDCQN-FRRDWIJNSA-N 2 1 242.363 0.912 20 0 BCADMP C[N@H+](CCC[NH+]1CCCC1)CCOCCO ZINC000301019434 387252293 /nfs/dbraw/zinc/25/22/93/387252293.db2.gz PQVICVYSHRCLQB-UHFFFAOYSA-N 2 1 230.352 0.413 20 0 BCADMP C[N@@H+](CCC[NH+]1CCCC1)CCOCCO ZINC000301019434 387252297 /nfs/dbraw/zinc/25/22/97/387252297.db2.gz PQVICVYSHRCLQB-UHFFFAOYSA-N 2 1 230.352 0.413 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925936 387199707 /nfs/dbraw/zinc/19/97/07/387199707.db2.gz GECLJVVRVHDRKD-SNVBAGLBSA-N 2 1 227.352 0.429 20 0 BCADMP CC[N@@H+]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000423467328 387314830 /nfs/dbraw/zinc/31/48/30/387314830.db2.gz DQICVUHWZGEZHE-DCAQKATOSA-N 2 1 247.333 0.913 20 0 BCADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423374634 387254271 /nfs/dbraw/zinc/25/42/71/387254271.db2.gz COHXIJRFANOYCP-NXEZZACHSA-N 2 1 227.352 0.631 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378701 387260659 /nfs/dbraw/zinc/26/06/59/387260659.db2.gz MQOIIVXBHODTLL-KKOKHZNYSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378701 387260662 /nfs/dbraw/zinc/26/06/62/387260662.db2.gz MQOIIVXBHODTLL-KKOKHZNYSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432601 387284738 /nfs/dbraw/zinc/28/47/38/387284738.db2.gz OPQVHAYGUCXCCW-SVBLFDIKSA-N 2 1 249.358 0.337 20 0 BCADMP CC[NH2+]CCCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000643499231 387285784 /nfs/dbraw/zinc/28/57/84/387285784.db2.gz LOHAVVMUYDEGQL-VXGBXAGGSA-N 2 1 229.368 0.343 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000572243109 387286162 /nfs/dbraw/zinc/28/61/62/387286162.db2.gz MBYKMUJQKQGDAT-ZDUSSCGKSA-N 3 1 225.380 0.917 20 0 BCADMP CN(C)c1cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc[nH+]1 ZINC000423445423 387295906 /nfs/dbraw/zinc/29/59/06/387295906.db2.gz XUIGRIAEVRNQNG-RNCFNFMXSA-N 2 1 246.314 0.838 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258848039 387304053 /nfs/dbraw/zinc/30/40/53/387304053.db2.gz QWGDSSYVSLZVMQ-QWRGUYRKSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@H]1C ZINC000423524178 387356214 /nfs/dbraw/zinc/35/62/14/387356214.db2.gz SQHZNJADHYQLBM-RHYQMDGZSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502089 387357270 /nfs/dbraw/zinc/35/72/70/387357270.db2.gz XFFOKQRVZSBIKP-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1C[C@@H]1C ZINC000423530255 387358633 /nfs/dbraw/zinc/35/86/33/387358633.db2.gz YQFJKTHWIQREQO-CYDGBPFRSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533053 387362264 /nfs/dbraw/zinc/36/22/64/387362264.db2.gz WMQFHUKSALWMGR-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423533053 387362267 /nfs/dbraw/zinc/36/22/67/387362267.db2.gz WMQFHUKSALWMGR-ZYHUDNBSSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546999 387369814 /nfs/dbraw/zinc/36/98/14/387369814.db2.gz ZWBCXAWOUQGCPV-YPMHNXCESA-N 3 1 223.364 0.884 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547943 387370179 /nfs/dbraw/zinc/37/01/79/387370179.db2.gz GHUJEMJDMKZUFD-UTUOFQBUSA-N 2 1 211.353 0.668 20 0 BCADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(N)=O ZINC000360953420 387372616 /nfs/dbraw/zinc/37/26/16/387372616.db2.gz AKEDMSACQILMRB-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423563244 387378248 /nfs/dbraw/zinc/37/82/48/387378248.db2.gz WZSXJZRNKWHEHF-RGDJUOJXSA-N 3 1 237.391 0.962 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396672022 387382037 /nfs/dbraw/zinc/38/20/37/387382037.db2.gz RTEUDFRQKHRXLM-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)COC1)C1CC1 ZINC000390515264 387330429 /nfs/dbraw/zinc/33/04/29/387330429.db2.gz DOEBESIDJQRJLZ-NSHDSACASA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)COC1)C1CC1 ZINC000390515264 387330435 /nfs/dbraw/zinc/33/04/35/387330435.db2.gz DOEBESIDJQRJLZ-NSHDSACASA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000515223185 387347520 /nfs/dbraw/zinc/34/75/20/387347520.db2.gz JMQLBSCSWFHZNL-QWRGUYRKSA-N 2 1 242.367 0.317 20 0 BCADMP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)C ZINC000423517172 387349426 /nfs/dbraw/zinc/34/94/26/387349426.db2.gz OAXHBBVYYMQCMD-NEPJUHHUSA-N 2 1 229.368 0.151 20 0 BCADMP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)C ZINC000423517179 387351196 /nfs/dbraw/zinc/35/11/96/387351196.db2.gz OAXHBBVYYMQCMD-VXGBXAGGSA-N 2 1 229.368 0.151 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000515811244 387425281 /nfs/dbraw/zinc/42/52/81/387425281.db2.gz VXANWYTZROJHJL-NHCYSSNCSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000423792180 387427467 /nfs/dbraw/zinc/42/74/67/387427467.db2.gz CXQSTKBDSZCFBM-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423848659 387433439 /nfs/dbraw/zinc/43/34/39/387433439.db2.gz OIFNUKBAQVDKPH-NSHDSACASA-N 2 1 227.352 0.522 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000423893729 387445827 /nfs/dbraw/zinc/44/58/27/387445827.db2.gz ATDBXJKZAYBNOQ-SRVKXCTJSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000516048781 387452231 /nfs/dbraw/zinc/45/22/31/387452231.db2.gz ODIQNCSJAVQUPK-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[NH2+]C1CC1 ZINC000516048781 387452235 /nfs/dbraw/zinc/45/22/35/387452235.db2.gz ODIQNCSJAVQUPK-GFCCVEGCSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423956625 387457590 /nfs/dbraw/zinc/45/75/90/387457590.db2.gz OVSGBIDRJAUJMS-JTQLQIEISA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618592 387459076 /nfs/dbraw/zinc/45/90/76/387459076.db2.gz VEKXBUNUZVIPAG-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423640257 387392665 /nfs/dbraw/zinc/39/26/65/387392665.db2.gz GLMRBGOWCOBXRW-ZJUUUORDSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423973698 387460190 /nfs/dbraw/zinc/46/01/90/387460190.db2.gz CPBYJFKMJPWMAL-DGCLKSJQSA-N 2 1 241.379 0.770 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000423751952 387409036 /nfs/dbraw/zinc/40/90/36/387409036.db2.gz AIDYCFYVTASSIP-MNOVXSKESA-N 2 1 229.368 0.818 20 0 BCADMP CC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361183999 387413165 /nfs/dbraw/zinc/41/31/65/387413165.db2.gz IFSBFPZPGZIWMU-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423771454 387421159 /nfs/dbraw/zinc/42/11/59/387421159.db2.gz INOYVBUXIONBEA-SRVKXCTJSA-N 2 1 241.379 0.768 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC[NH2+]1 ZINC000336597646 387421904 /nfs/dbraw/zinc/42/19/04/387421904.db2.gz BHTGLECZQCPJDS-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH2+]C ZINC000423775930 387422101 /nfs/dbraw/zinc/42/21/01/387422101.db2.gz PTTKCUKFDOBMIJ-JTQLQIEISA-N 2 1 215.341 0.442 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(N)=O ZINC000516966520 387501115 /nfs/dbraw/zinc/50/11/15/387501115.db2.gz QOHCNUUCQBNZDB-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(N)=O ZINC000516966520 387501121 /nfs/dbraw/zinc/50/11/21/387501121.db2.gz QOHCNUUCQBNZDB-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355314067 387517338 /nfs/dbraw/zinc/51/73/38/387517338.db2.gz GXDRECCXFNTQMO-LLVKDONJSA-N 2 1 227.352 0.348 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355327459 387521438 /nfs/dbraw/zinc/52/14/38/387521438.db2.gz WUJWOIREXRFEFK-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000362182207 387581861 /nfs/dbraw/zinc/58/18/61/387581861.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362182207 387581864 /nfs/dbraw/zinc/58/18/64/387581864.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362182207 387581866 /nfs/dbraw/zinc/58/18/66/387581866.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000422614234 387607164 /nfs/dbraw/zinc/60/71/64/387607164.db2.gz YEZOJDCKNGPBPG-HBNTYKKESA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000422614231 387607242 /nfs/dbraw/zinc/60/72/42/387607242.db2.gz YEZOJDCKNGPBPG-AXFHLTTASA-N 2 1 242.367 0.458 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422610836 387607682 /nfs/dbraw/zinc/60/76/82/387607682.db2.gz QWPONOHWQKLKKO-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422710397 387624211 /nfs/dbraw/zinc/62/42/11/387624211.db2.gz LWRFDONBPSIFBT-FIQHERPVSA-N 2 1 214.353 0.981 20 0 BCADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422712258 387626327 /nfs/dbraw/zinc/62/63/27/387626327.db2.gz NUDKDOZLQUYEDE-FRRDWIJNSA-N 2 1 241.379 0.567 20 0 BCADMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422712258 387626328 /nfs/dbraw/zinc/62/63/28/387626328.db2.gz NUDKDOZLQUYEDE-FRRDWIJNSA-N 2 1 241.379 0.567 20 0 BCADMP CC(=O)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124633593 387626713 /nfs/dbraw/zinc/62/67/13/387626713.db2.gz IQZCUZOCADEBAA-ZDUSSCGKSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CCC[NH+]1CCOCC1 ZINC000430547514 387627436 /nfs/dbraw/zinc/62/74/36/387627436.db2.gz UMVYWRCHNZUDRY-ZDUSSCGKSA-N 2 1 241.379 0.393 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399654594 387562636 /nfs/dbraw/zinc/56/26/36/387562636.db2.gz NZMMKZAVNGTHKS-VXGBXAGGSA-N 2 1 241.379 0.770 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000399640659 387563429 /nfs/dbraw/zinc/56/34/29/387563429.db2.gz KCBGKNDBRBCNHM-WOPDTQHZSA-N 2 1 241.379 0.816 20 0 BCADMP CN(C(=O)C[NH2+][C@@](C)(CN)C1CC1)C1CC1 ZINC000430588430 387631201 /nfs/dbraw/zinc/63/12/01/387631201.db2.gz ZDZDLQAGMPUPRY-LBPRGKRZSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738356 387646379 /nfs/dbraw/zinc/64/63/79/387646379.db2.gz JOIBROQQBKTSFF-USWWRNFRSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422746168 387650885 /nfs/dbraw/zinc/65/08/85/387650885.db2.gz WBVXXFJVAAEFJY-HBNTYKKESA-N 2 1 211.353 0.939 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422746168 387650889 /nfs/dbraw/zinc/65/08/89/387650889.db2.gz WBVXXFJVAAEFJY-HBNTYKKESA-N 2 1 211.353 0.939 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)CC[NH3+] ZINC000430796969 387651159 /nfs/dbraw/zinc/65/11/59/387651159.db2.gz MUSDYYLJXYKRFP-UHFFFAOYSA-N 2 1 224.308 0.437 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000430795858 387652011 /nfs/dbraw/zinc/65/20/11/387652011.db2.gz IMXCEHWTVWYABR-DCAQKATOSA-N 2 1 227.352 0.665 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH3+])C[C@@H]1C ZINC000430803585 387654495 /nfs/dbraw/zinc/65/44/95/387654495.db2.gz VMHHSFZWILSKJN-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000430802952 387655041 /nfs/dbraw/zinc/65/50/41/387655041.db2.gz PFISQAIHJLOXSU-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000362770827 387658173 /nfs/dbraw/zinc/65/81/73/387658173.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362770827 387658177 /nfs/dbraw/zinc/65/81/77/387658177.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 2 1 227.352 0.252 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362770827 387658181 /nfs/dbraw/zinc/65/81/81/387658181.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 2 1 227.352 0.252 20 0 BCADMP CC[N@@H+](CCNC(=O)CCC[NH2+]C)C(C)C ZINC000430889843 387659289 /nfs/dbraw/zinc/65/92/89/387659289.db2.gz NCNNFCMRPGOEOC-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[NH3+] ZINC000430891296 387659605 /nfs/dbraw/zinc/65/96/05/387659605.db2.gz YPHQHRORWWOOHB-AOOOYVTPSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@@H+](CCNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000430903876 387659686 /nfs/dbraw/zinc/65/96/86/387659686.db2.gz MEAJSYMQPMOABM-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919576 387661334 /nfs/dbraw/zinc/66/13/34/387661334.db2.gz LRJNCNGQJAOXFF-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430968331 387664946 /nfs/dbraw/zinc/66/49/46/387664946.db2.gz XWTOOILMIOOLAZ-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP CNC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430968331 387664951 /nfs/dbraw/zinc/66/49/51/387664951.db2.gz XWTOOILMIOOLAZ-GFCCVEGCSA-N 2 1 247.342 0.827 20 0 BCADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430968667 387666662 /nfs/dbraw/zinc/66/66/62/387666662.db2.gz ATTUKYNWUPOYQR-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019070 387669829 /nfs/dbraw/zinc/66/98/29/387669829.db2.gz KPMGYJUXPFQRJC-MWLCHTKSSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422771348 387669941 /nfs/dbraw/zinc/66/99/41/387669941.db2.gz RDOLYFBTYMBZJM-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000431021691 387671035 /nfs/dbraw/zinc/67/10/35/387671035.db2.gz ARYGVWRYDLLVTK-INTQDDNPSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000431062285 387674322 /nfs/dbraw/zinc/67/43/22/387674322.db2.gz OWVPERCRURIVJY-WCQYABFASA-N 2 1 247.342 0.897 20 0 BCADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422780042 387677264 /nfs/dbraw/zinc/67/72/64/387677264.db2.gz JQYBMPXTTVPWFO-IJLUTSLNSA-N 2 1 214.353 0.981 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCn2ccnn2)CC[N@H+]1C ZINC000126488171 387686493 /nfs/dbraw/zinc/68/64/93/387686493.db2.gz VUBMUPVRGAHKPN-VXGBXAGGSA-N 2 1 237.351 0.741 20 0 BCADMP CC[N@@H+](CCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422879551 387756192 /nfs/dbraw/zinc/75/61/92/387756192.db2.gz MLYQFCFELZRMTF-NSHDSACASA-N 2 1 213.369 0.914 20 0 BCADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H]1N ZINC000422871843 387748609 /nfs/dbraw/zinc/74/86/09/387748609.db2.gz ZUFQTKIMYPIRBR-UPJWGTAASA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@H](CC[NH+](C)C)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422871843 387748614 /nfs/dbraw/zinc/74/86/14/387748614.db2.gz ZUFQTKIMYPIRBR-UPJWGTAASA-N 2 1 243.395 0.813 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000422871526 387749149 /nfs/dbraw/zinc/74/91/49/387749149.db2.gz DABCFPYVAVJJSH-JFGNBEQYSA-N 2 1 209.337 0.421 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377882422 387754014 /nfs/dbraw/zinc/75/40/14/387754014.db2.gz FGPDXTNXIRUVEQ-JTQLQIEISA-N 2 1 236.319 0.438 20 0 BCADMP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367811727 387754632 /nfs/dbraw/zinc/75/46/32/387754632.db2.gz VJVQCEKBSSDBPS-RWMBFGLXSA-N 2 1 249.358 0.149 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000422876876 387754739 /nfs/dbraw/zinc/75/47/39/387754739.db2.gz QVUUYRYAZREPTG-IXOXFDKPSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422876876 387754747 /nfs/dbraw/zinc/75/47/47/387754747.db2.gz QVUUYRYAZREPTG-IXOXFDKPSA-N 2 1 223.364 0.939 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422801813 387701753 /nfs/dbraw/zinc/70/17/53/387701753.db2.gz AQLFUHMSHFTCML-VXGBXAGGSA-N 2 1 211.353 0.942 20 0 BCADMP COC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000127115745 387706431 /nfs/dbraw/zinc/70/64/31/387706431.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000127115745 387706439 /nfs/dbraw/zinc/70/64/39/387706439.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP COC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000127115745 387706442 /nfs/dbraw/zinc/70/64/42/387706442.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000441374706 387755230 /nfs/dbraw/zinc/75/52/30/387755230.db2.gz GOGNIYJNGLTYPB-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000441374706 387755238 /nfs/dbraw/zinc/75/52/38/387755238.db2.gz GOGNIYJNGLTYPB-WOPDTQHZSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CC[N@H+]1C ZINC000128006544 387732229 /nfs/dbraw/zinc/73/22/29/387732229.db2.gz KVBPCEXVAZSMFN-VXGBXAGGSA-N 2 1 222.336 0.955 20 0 BCADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000422848609 387735417 /nfs/dbraw/zinc/73/54/17/387735417.db2.gz AXYINMFMNVBZLU-VWYCJHECSA-N 2 1 209.337 0.563 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000367673843 387742105 /nfs/dbraw/zinc/74/21/05/387742105.db2.gz YIWPXFWPIZABPJ-PWSUYJOCSA-N 2 1 248.330 0.149 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422889598 387762904 /nfs/dbraw/zinc/76/29/04/387762904.db2.gz GRDBTTXUWAHQGC-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422890341 387763856 /nfs/dbraw/zinc/76/38/56/387763856.db2.gz RSRNZORJSDVXEV-RWMBFGLXSA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422889596 387764221 /nfs/dbraw/zinc/76/42/21/387764221.db2.gz GRDBTTXUWAHQGC-GMTAPVOTSA-N 2 1 200.326 0.878 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146071 387764793 /nfs/dbraw/zinc/76/47/93/387764793.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129146071 387764796 /nfs/dbraw/zinc/76/47/96/387764796.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129146071 387764800 /nfs/dbraw/zinc/76/48/00/387764800.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422904537 387767800 /nfs/dbraw/zinc/76/78/00/387767800.db2.gz GXMACHKFKSENJC-NEPJUHHUSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CC(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000422910378 387769369 /nfs/dbraw/zinc/76/93/69/387769369.db2.gz HYZRRFUERMGSIK-AEJSXWLSSA-N 2 1 213.325 0.371 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)CC(N)=O)[C@H]1CCCC[NH2+]1 ZINC000422910380 387769540 /nfs/dbraw/zinc/76/95/40/387769540.db2.gz HYZRRFUERMGSIK-IVZWLZJFSA-N 2 1 213.325 0.371 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000441611896 387772510 /nfs/dbraw/zinc/77/25/10/387772510.db2.gz KAWAFAXKAYLPFR-GFCCVEGCSA-N 2 1 249.358 0.829 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000441611896 387772513 /nfs/dbraw/zinc/77/25/13/387772513.db2.gz KAWAFAXKAYLPFR-GFCCVEGCSA-N 2 1 249.358 0.829 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422927716 387779534 /nfs/dbraw/zinc/77/95/34/387779534.db2.gz ZWNUTWATGFDFEH-WOPDTQHZSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]([NH3+])CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000442650376 387812457 /nfs/dbraw/zinc/81/24/57/387812457.db2.gz PBLDIFYHPHFPFH-STQMWFEESA-N 2 1 241.379 0.520 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCOC2)CCCO1 ZINC000432344818 387782550 /nfs/dbraw/zinc/78/25/50/387782550.db2.gz FTJYNKAHMYGPFO-OLZOCXBDSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC2)CCCO1 ZINC000432344818 387782554 /nfs/dbraw/zinc/78/25/54/387782554.db2.gz FTJYNKAHMYGPFO-OLZOCXBDSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527952685 387782859 /nfs/dbraw/zinc/78/28/59/387782859.db2.gz ISJJIZFMPZGUSE-VOAKCMCISA-N 2 1 242.363 0.456 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000378525274 387789630 /nfs/dbraw/zinc/78/96/30/387789630.db2.gz FBTNNAICTLHFNA-QWRGUYRKSA-N 2 1 239.363 0.809 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424149859 387792856 /nfs/dbraw/zinc/79/28/56/387792856.db2.gz XROFWCITHIPHJQ-TUAOUCFPSA-N 2 1 239.363 0.428 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432527712 387800101 /nfs/dbraw/zinc/80/01/01/387800101.db2.gz RGYIRXLHPYSHJW-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309488103 387805447 /nfs/dbraw/zinc/80/54/47/387805447.db2.gz XOOKAYUGKGQICU-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309488103 387805451 /nfs/dbraw/zinc/80/54/51/387805451.db2.gz XOOKAYUGKGQICU-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442621116 387808418 /nfs/dbraw/zinc/80/84/18/387808418.db2.gz OUGNHDVBTWGPMP-GFCCVEGCSA-N 2 1 241.379 0.914 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424144276 387759558 /nfs/dbraw/zinc/75/95/58/387759558.db2.gz KYYKAPCSAGVKNZ-QCNOEVLYSA-N 2 1 239.363 0.665 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH2+]C ZINC000418321280 387821644 /nfs/dbraw/zinc/82/16/44/387821644.db2.gz YJIVXDODORCRKP-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP C[NH2+]CCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000418321290 387822344 /nfs/dbraw/zinc/82/23/44/387822344.db2.gz YLLQYBNWJRIARG-NSHDSACASA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423007404 387829281 /nfs/dbraw/zinc/82/92/81/387829281.db2.gz QRBKDABNUMECKD-OUAUKWLOSA-N 2 1 200.326 0.733 20 0 BCADMP C[C@H]1CCNC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075739 387873234 /nfs/dbraw/zinc/87/32/34/387873234.db2.gz XSYFXSVQYJSBMQ-RYUDHWBXSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(O)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423009387 387833006 /nfs/dbraw/zinc/83/30/06/387833006.db2.gz VLDNOPBFRUPJST-WOPDTQHZSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000442765699 387833780 /nfs/dbraw/zinc/83/37/80/387833780.db2.gz JONYOLJOMKRSKR-OUAUKWLOSA-N 2 1 248.392 0.336 20 0 BCADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000442765699 387833785 /nfs/dbraw/zinc/83/37/85/387833785.db2.gz JONYOLJOMKRSKR-OUAUKWLOSA-N 2 1 248.392 0.336 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442777711 387837699 /nfs/dbraw/zinc/83/76/99/387837699.db2.gz JQWTVBFTJHGUDT-SRVKXCTJSA-N 2 1 241.379 0.911 20 0 BCADMP CCCCNC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442794567 387841510 /nfs/dbraw/zinc/84/15/10/387841510.db2.gz TZBCZGSHPODVQO-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423031557 387847429 /nfs/dbraw/zinc/84/74/29/387847429.db2.gz XCUPJSCVPNYDNV-IRCOFANPSA-N 2 1 239.363 0.631 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423037176 387851886 /nfs/dbraw/zinc/85/18/86/387851886.db2.gz VPOQEPLEDTUYLG-LMLFDSFASA-N 2 1 200.326 0.876 20 0 BCADMP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193634073 387858903 /nfs/dbraw/zinc/85/89/03/387858903.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP COCC[NH+]1CCC([NH2+]CCC[C@@H](C)O)CC1 ZINC000433082192 387863136 /nfs/dbraw/zinc/86/31/36/387863136.db2.gz JDRNITHHTCLTMV-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442659449 387813895 /nfs/dbraw/zinc/81/38/95/387813895.db2.gz KPHUXKYOXBFVOC-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442659449 387813897 /nfs/dbraw/zinc/81/38/97/387813897.db2.gz KPHUXKYOXBFVOC-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537371 387874883 /nfs/dbraw/zinc/87/48/83/387874883.db2.gz GGAHJMNPXJNKJY-RCWTZXSCSA-N 2 1 215.316 0.226 20 0 BCADMP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000442654290 387814987 /nfs/dbraw/zinc/81/49/87/387814987.db2.gz AYDFZLNEGSLGPZ-GRYCIOLGSA-N 2 1 229.368 0.111 20 0 BCADMP C[C@@H]([NH2+]C[C@H](O)COCC1CC1)[C@H]1CCC[NH2+]1 ZINC000422969562 387818152 /nfs/dbraw/zinc/81/81/52/387818152.db2.gz DDABCXAEAXPYEO-KGYLQXTDSA-N 2 1 242.363 0.504 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444606663 387890112 /nfs/dbraw/zinc/89/01/12/387890112.db2.gz FPBCUHAQOGMAOD-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444606663 387890114 /nfs/dbraw/zinc/89/01/14/387890114.db2.gz FPBCUHAQOGMAOD-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000424175004 387878871 /nfs/dbraw/zinc/87/88/71/387878871.db2.gz OZJQLFCDHUBVBL-WYUUTHIRSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184984 387899556 /nfs/dbraw/zinc/89/95/56/387899556.db2.gz YXFJVGNWGXUEEV-VLEAKVRGSA-N 2 1 225.336 0.132 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215828 387933124 /nfs/dbraw/zinc/93/31/24/387933124.db2.gz GWTMIWSCLKPBPR-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423156962 387936049 /nfs/dbraw/zinc/93/60/49/387936049.db2.gz LUXYVHUNBLWSHA-USZNOCQGSA-N 2 1 212.337 0.735 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423146116 387922167 /nfs/dbraw/zinc/92/21/67/387922167.db2.gz OBMYFSVZIOASGT-SDDRHHMPSA-N 2 1 230.352 0.362 20 0 BCADMP Cc1cc(CNC(=O)[C@H]2COCC[NH2+]2)cc(C)n1 ZINC000424196312 387922648 /nfs/dbraw/zinc/92/26/48/387922648.db2.gz FQGWNYSJLIBHKG-GFCCVEGCSA-N 2 1 249.314 0.303 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423146115 387922858 /nfs/dbraw/zinc/92/28/58/387922858.db2.gz OBMYFSVZIOASGT-QJPTWQEYSA-N 2 1 230.352 0.362 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N(C)C)CC[N@H+]1C ZINC000156143057 387923446 /nfs/dbraw/zinc/92/34/46/387923446.db2.gz HDBGXQMGCZRCNC-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)N(C)C)CC[N@H+]1C ZINC000156142815 387923903 /nfs/dbraw/zinc/92/39/03/387923903.db2.gz HDBGXQMGCZRCNC-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148844 387927588 /nfs/dbraw/zinc/92/75/88/387927588.db2.gz WRHMMDDWGQXUBF-UPJWGTAASA-N 2 1 244.379 0.894 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000158222252 387939398 /nfs/dbraw/zinc/93/93/98/387939398.db2.gz DFSKYIZCDRDGMB-VXGBXAGGSA-N 2 1 249.358 0.970 20 0 BCADMP COCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457948 387956166 /nfs/dbraw/zinc/95/61/66/387956166.db2.gz QOHOTBFTTQMEDH-UTUOFQBUSA-N 2 1 230.352 0.768 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000156222761 387943650 /nfs/dbraw/zinc/94/36/50/387943650.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222761 387943653 /nfs/dbraw/zinc/94/36/53/387943653.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 2 1 243.395 0.637 20 0 BCADMP COCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222761 387943657 /nfs/dbraw/zinc/94/36/57/387943657.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 2 1 243.395 0.637 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000423161126 387943907 /nfs/dbraw/zinc/94/39/07/387943907.db2.gz NJBQEDXICIGUPO-QWRGUYRKSA-N 2 1 212.337 0.737 20 0 BCADMP C[C@H](CCCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423164264 387944978 /nfs/dbraw/zinc/94/49/78/387944978.db2.gz WLVXZBUSDHLFSR-WOPDTQHZSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)CO ZINC000423165122 387947845 /nfs/dbraw/zinc/94/78/45/387947845.db2.gz XWXNQZZKXSKQFI-GHMZBOCLSA-N 2 1 214.353 0.983 20 0 BCADMP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299240 387959133 /nfs/dbraw/zinc/95/91/33/387959133.db2.gz DTHREFWWLWHRTA-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP CCC[NH+](C)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453038844 387968998 /nfs/dbraw/zinc/96/89/98/387968998.db2.gz QUNJWLOYIHWJMG-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[N@@H+]1C[C@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423185896 387969390 /nfs/dbraw/zinc/96/93/90/387969390.db2.gz NUUPLMWZJGSOAO-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C)CC1 ZINC000438827613 387957060 /nfs/dbraw/zinc/95/70/60/387957060.db2.gz CRFCCKKDKWPYKL-NSHDSACASA-N 2 1 237.351 0.741 20 0 BCADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000245673132 387972562 /nfs/dbraw/zinc/97/25/62/387972562.db2.gz FHLGJVVRBLYTHD-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000245673132 387972565 /nfs/dbraw/zinc/97/25/65/387972565.db2.gz FHLGJVVRBLYTHD-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000245673132 387972567 /nfs/dbraw/zinc/97/25/67/387972567.db2.gz FHLGJVVRBLYTHD-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]21 ZINC000245673132 387972569 /nfs/dbraw/zinc/97/25/69/387972569.db2.gz FHLGJVVRBLYTHD-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423210606 387995709 /nfs/dbraw/zinc/99/57/09/387995709.db2.gz KCDOZLWINMHELK-UTUOFQBUSA-N 2 1 211.353 0.526 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423210606 387995711 /nfs/dbraw/zinc/99/57/11/387995711.db2.gz KCDOZLWINMHELK-UTUOFQBUSA-N 2 1 211.353 0.526 20 0 BCADMP C[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423200328 387985241 /nfs/dbraw/zinc/98/52/41/387985241.db2.gz LVEBNANFCIWRAK-JQWIXIFHSA-N 2 1 211.353 0.668 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423200569 387986456 /nfs/dbraw/zinc/98/64/56/387986456.db2.gz MPOKJXITYDNHQT-SDDRHHMPSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423200569 387986460 /nfs/dbraw/zinc/98/64/60/387986460.db2.gz MPOKJXITYDNHQT-SDDRHHMPSA-N 3 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423200569 387986463 /nfs/dbraw/zinc/98/64/63/387986463.db2.gz MPOKJXITYDNHQT-SDDRHHMPSA-N 3 1 213.369 0.914 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000423217484 387999291 /nfs/dbraw/zinc/99/92/91/387999291.db2.gz UGOFLYPCPCCUEY-YNEHKIRRSA-N 2 1 225.380 0.916 20 0 BCADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000423217484 387999292 /nfs/dbraw/zinc/99/92/92/387999292.db2.gz UGOFLYPCPCCUEY-YNEHKIRRSA-N 2 1 225.380 0.916 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423217921 387999641 /nfs/dbraw/zinc/99/96/41/387999641.db2.gz STSMDFUDXQTYRF-NDBYEHHHSA-N 2 1 223.364 0.811 20 0 BCADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217481 388000044 /nfs/dbraw/zinc/00/00/44/388000044.db2.gz UGOFLYPCPCCUEY-AVGNSLFASA-N 2 1 225.380 0.916 20 0 BCADMP CCN1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217481 388000047 /nfs/dbraw/zinc/00/00/47/388000047.db2.gz UGOFLYPCPCCUEY-AVGNSLFASA-N 2 1 225.380 0.916 20 0 BCADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000252714825 135101868 /nfs/dbraw/zinc/10/18/68/135101868.db2.gz TUTPJNIVOOPGBE-WOPDTQHZSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000252714825 135101870 /nfs/dbraw/zinc/10/18/70/135101870.db2.gz TUTPJNIVOOPGBE-WOPDTQHZSA-N 2 1 213.369 0.866 20 0 BCADMP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000159356697 388009880 /nfs/dbraw/zinc/00/98/80/388009880.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371888 387996360 /nfs/dbraw/zinc/99/63/60/387996360.db2.gz VWWGONXHUCBQST-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423242928 388025854 /nfs/dbraw/zinc/02/58/54/388025854.db2.gz JQDKHFOXHBEUNR-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000423230644 388015805 /nfs/dbraw/zinc/01/58/05/388015805.db2.gz DXYBWWYWCFBCKF-MNOVXSKESA-N 2 1 237.351 0.743 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257313 388018465 /nfs/dbraw/zinc/01/84/65/388018465.db2.gz GCSYDVDWLNKTOC-UWVGGRQHSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257312 388018999 /nfs/dbraw/zinc/01/89/99/388018999.db2.gz GCSYDVDWLNKTOC-NXEZZACHSA-N 2 1 225.336 0.467 20 0 BCADMP [NH3+]CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257302 388019320 /nfs/dbraw/zinc/01/93/20/388019320.db2.gz NFPKQHZCQIFWOD-SECBINFHSA-N 2 1 211.309 0.078 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256152 388019893 /nfs/dbraw/zinc/01/98/93/388019893.db2.gz MZFZFYFQRIZMAD-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[NH+](C)C ZINC000440261172 388036490 /nfs/dbraw/zinc/03/64/90/388036490.db2.gz RCLVYJSDPFIOBY-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000648713604 388037970 /nfs/dbraw/zinc/03/79/70/388037970.db2.gz OLBOCOLURWTFIK-GHMZBOCLSA-N 2 1 227.352 0.395 20 0 BCADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000423262669 388040276 /nfs/dbraw/zinc/04/02/76/388040276.db2.gz NCRRWYYDAUMBJU-UTUOFQBUSA-N 2 1 213.369 0.900 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000083834878 388063057 /nfs/dbraw/zinc/06/30/57/388063057.db2.gz BEESDUURHKSXGU-SNVBAGLBSA-N 2 1 223.320 0.174 20 0 BCADMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000083834878 388063060 /nfs/dbraw/zinc/06/30/60/388063060.db2.gz BEESDUURHKSXGU-SNVBAGLBSA-N 2 1 223.320 0.174 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000453376901 388063870 /nfs/dbraw/zinc/06/38/70/388063870.db2.gz VFTCRMUTVJAGGO-PPCPHDFISA-N 2 1 224.348 0.972 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000453376884 388064477 /nfs/dbraw/zinc/06/44/77/388064477.db2.gz VFTCRMUTVJAGGO-FHUSYTEZSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH3+])C1CC1 ZINC000423285485 388068790 /nfs/dbraw/zinc/06/87/90/388068790.db2.gz YFXVYQBXCNSFPF-OASPWFOLSA-N 2 1 223.364 0.796 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447908805 388102739 /nfs/dbraw/zinc/10/27/39/388102739.db2.gz BYGSDMKOMNXYCC-NWDGAFQWSA-N 2 1 239.319 0.321 20 0 BCADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423266600 388046509 /nfs/dbraw/zinc/04/65/09/388046509.db2.gz DKPLJLZOLLJIPQ-SDDRHHMPSA-N 2 1 213.369 0.820 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343054 388177104 /nfs/dbraw/zinc/17/71/04/388177104.db2.gz HKXINWGOJNBCRZ-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297376 388178274 /nfs/dbraw/zinc/17/82/74/388178274.db2.gz DRFSKJCLNPIYMX-WDEREUQCSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000488503326 388183107 /nfs/dbraw/zinc/18/31/07/388183107.db2.gz UKIRAIUTIDFJOQ-OUAUKWLOSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000454635023 388126289 /nfs/dbraw/zinc/12/62/89/388126289.db2.gz UHSLDVYLMRTNOY-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000449101487 388141774 /nfs/dbraw/zinc/14/17/74/388141774.db2.gz FKQZSAOAOUVALM-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000449124424 388145139 /nfs/dbraw/zinc/14/51/39/388145139.db2.gz QFXWPPXDJRRCNW-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000449124424 388145141 /nfs/dbraw/zinc/14/51/41/388145141.db2.gz QFXWPPXDJRRCNW-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000449118016 388145160 /nfs/dbraw/zinc/14/51/60/388145160.db2.gz RASHUYKABHLRRE-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000449399096 388194403 /nfs/dbraw/zinc/19/44/03/388194403.db2.gz XLVMZIDGHDGVEJ-SSDOTTSWSA-N 2 1 223.267 0.085 20 0 BCADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449571379 388235680 /nfs/dbraw/zinc/23/56/80/388235680.db2.gz KDDUTXCFHGOMKD-HOSYDEDBSA-N 2 1 245.342 0.520 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449571381 388236004 /nfs/dbraw/zinc/23/60/04/388236004.db2.gz KDDUTXCFHGOMKD-NHCYSSNCSA-N 2 1 245.342 0.520 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])CC ZINC000449608956 388242394 /nfs/dbraw/zinc/24/23/94/388242394.db2.gz LRZONCROTDVCLH-VIFPVBQESA-N 2 1 201.314 0.182 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449623446 388244192 /nfs/dbraw/zinc/24/41/92/388244192.db2.gz LRRPFTUKRMLERJ-MRVPVSSYSA-N 2 1 237.294 0.425 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640440 388247741 /nfs/dbraw/zinc/24/77/41/388247741.db2.gz BFEPTCZBFJZUFS-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP O[C@H](C[NH2+]CCOCCF)C[NH+]1CCCC1 ZINC000629585558 388283140 /nfs/dbraw/zinc/28/31/40/388283140.db2.gz WONAAIZELNVWEL-LLVKDONJSA-N 2 1 234.315 0.019 20 0 BCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845201 388324700 /nfs/dbraw/zinc/32/47/00/388324700.db2.gz JSPNEYNCADRAJC-BTDICHCPSA-N 2 1 239.363 0.657 20 0 BCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C/C[NH+](C)C ZINC000491883750 388326270 /nfs/dbraw/zinc/32/62/70/388326270.db2.gz LMIGQTQRNWMPAM-BTDICHCPSA-N 2 1 239.363 0.514 20 0 BCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C/C[NH+](C)C ZINC000491883755 388326297 /nfs/dbraw/zinc/32/62/97/388326297.db2.gz LMIGQTQRNWMPAM-FYJFLYSWSA-N 2 1 239.363 0.514 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)/C=C/C[NH+](C)C ZINC000491892494 388326529 /nfs/dbraw/zinc/32/65/29/388326529.db2.gz LSFCINSAUCTXRW-SOFGYWHQSA-N 2 1 241.379 0.951 20 0 BCADMP CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000491901824 388326969 /nfs/dbraw/zinc/32/69/69/388326969.db2.gz CHUZCESSFKZCQX-WAFBPQNNSA-N 2 1 239.363 0.657 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953458 388268997 /nfs/dbraw/zinc/26/89/97/388268997.db2.gz UVHSIOXFHYIZSE-GFCCVEGCSA-N 2 1 237.347 0.339 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953453 388269509 /nfs/dbraw/zinc/26/95/09/388269509.db2.gz UPTXHVOSRLVBEX-ZYHUDNBSSA-N 2 1 239.363 0.442 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646391856 388349390 /nfs/dbraw/zinc/34/93/90/388349390.db2.gz ZPCFGJZFUFQZSB-JTQLQIEISA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300392126 388365195 /nfs/dbraw/zinc/36/51/95/388365195.db2.gz YOBJUTLXEMDLQB-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1C(N)=O ZINC000163692261 388366210 /nfs/dbraw/zinc/36/62/10/388366210.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 1 239.363 0.811 20 0 BCADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000354292802 388378445 /nfs/dbraw/zinc/37/84/45/388378445.db2.gz XOFNPPQJVVMCLJ-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH3+] ZINC000236648736 388381276 /nfs/dbraw/zinc/38/12/76/388381276.db2.gz KQBREMKUSHDMAO-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1CO ZINC000572852850 388381587 /nfs/dbraw/zinc/38/15/87/388381587.db2.gz OYLFYOIBXITVEF-NEPJUHHUSA-N 2 1 237.347 0.913 20 0 BCADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1CO ZINC000572852850 388381591 /nfs/dbraw/zinc/38/15/91/388381591.db2.gz OYLFYOIBXITVEF-NEPJUHHUSA-N 2 1 237.347 0.913 20 0 BCADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1CO ZINC000572852850 388381596 /nfs/dbraw/zinc/38/15/96/388381596.db2.gz OYLFYOIBXITVEF-NEPJUHHUSA-N 2 1 237.347 0.913 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237627068 388397896 /nfs/dbraw/zinc/39/78/96/388397896.db2.gz AHLIZCMHGWHKRJ-GUBZILKMSA-N 2 1 213.325 0.132 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646650865 388403051 /nfs/dbraw/zinc/40/30/51/388403051.db2.gz MADWMDQELLVNQV-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000492229701 388338601 /nfs/dbraw/zinc/33/86/01/388338601.db2.gz NPTZPTXQMDVNDW-MWLCHTKSSA-N 2 1 241.335 0.367 20 0 BCADMP COC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000492229701 388338602 /nfs/dbraw/zinc/33/86/02/388338602.db2.gz NPTZPTXQMDVNDW-MWLCHTKSSA-N 2 1 241.335 0.367 20 0 BCADMP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045258 388448416 /nfs/dbraw/zinc/44/84/16/388448416.db2.gz MXHKVNHBKUZTNN-NWDGAFQWSA-N 2 1 237.347 0.420 20 0 BCADMP Cc1cn[nH]c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335449216 388450443 /nfs/dbraw/zinc/45/04/43/388450443.db2.gz YRAURVBYUHNXOJ-AOOOYVTPSA-N 2 1 206.293 0.369 20 0 BCADMP CCOC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000405144598 388452358 /nfs/dbraw/zinc/45/23/58/388452358.db2.gz VUKHPJVXLGTGRL-UHFFFAOYSA-N 2 1 216.325 0.856 20 0 BCADMP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000336173198 388456734 /nfs/dbraw/zinc/45/67/34/388456734.db2.gz APIASAOCPGFRDZ-LLVKDONJSA-N 2 1 223.320 0.045 20 0 BCADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H](C)O ZINC000514861408 388460644 /nfs/dbraw/zinc/46/06/44/388460644.db2.gz FQHUSWVSACSWAE-FRRDWIJNSA-N 2 1 244.379 0.582 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686752 388416209 /nfs/dbraw/zinc/41/62/09/388416209.db2.gz HKAJTZQPQXPBEV-LLVKDONJSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686821 388416409 /nfs/dbraw/zinc/41/64/09/388416409.db2.gz VHYRTFJEJHMNJO-LBPRGKRZSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000525292737 388424632 /nfs/dbraw/zinc/42/46/32/388424632.db2.gz WORQFCDTKUICHA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525292737 388424634 /nfs/dbraw/zinc/42/46/34/388424634.db2.gz WORQFCDTKUICHA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525292737 388424635 /nfs/dbraw/zinc/42/46/35/388424635.db2.gz WORQFCDTKUICHA-GFCCVEGCSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000573164745 388428124 /nfs/dbraw/zinc/42/81/24/388428124.db2.gz XBQXINRRESWEGQ-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CC(C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246029416 388436063 /nfs/dbraw/zinc/43/60/63/388436063.db2.gz XQMDIAPYVNXUII-MNOVXSKESA-N 2 1 212.337 0.974 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277220 388500722 /nfs/dbraw/zinc/50/07/22/388500722.db2.gz MXDOLKMLPOUOQG-WYUUTHIRSA-N 2 1 237.347 0.052 20 0 BCADMP CN(CCC[NH3+])C(=O)[C@H]1CCCC[N@H+]1C ZINC000646782983 388500837 /nfs/dbraw/zinc/50/08/37/388500837.db2.gz GFWCMSCRMUVOIH-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000548113437 388513336 /nfs/dbraw/zinc/51/33/36/388513336.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548113437 388513339 /nfs/dbraw/zinc/51/33/39/388513339.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000548113437 388513341 /nfs/dbraw/zinc/51/33/41/388513341.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+](CCOCC(F)F)[C@H](C[NH3+])C1CC1 ZINC000261579641 135220533 /nfs/dbraw/zinc/22/05/33/135220533.db2.gz MLLUCPKMYPASPX-SECBINFHSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000245969856 388612762 /nfs/dbraw/zinc/61/27/62/388612762.db2.gz NVFUAVBVSMXLGC-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000550714293 388613374 /nfs/dbraw/zinc/61/33/74/388613374.db2.gz RVSCWFVFVDFWCB-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000550714293 388613376 /nfs/dbraw/zinc/61/33/76/388613376.db2.gz RVSCWFVFVDFWCB-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000550714293 388613378 /nfs/dbraw/zinc/61/33/78/388613378.db2.gz RVSCWFVFVDFWCB-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000550714293 388613379 /nfs/dbraw/zinc/61/33/79/388613379.db2.gz RVSCWFVFVDFWCB-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367602595 388565479 /nfs/dbraw/zinc/56/54/79/388565479.db2.gz UYKFYRWOCVEBEN-QCNOEVLYSA-N 2 1 212.337 0.830 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297538 388575364 /nfs/dbraw/zinc/57/53/64/388575364.db2.gz AMWTUIYQRHXHTL-LBELIVKGSA-N 2 1 249.358 0.480 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000649297714 388575498 /nfs/dbraw/zinc/57/54/98/388575498.db2.gz RZNWDXGPLARDIS-WRWGMCAJSA-N 2 1 237.347 0.467 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000649297711 388575913 /nfs/dbraw/zinc/57/59/13/388575913.db2.gz RZNWDXGPLARDIS-KXNHARMFSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H](O)CC[NH+](C)CCC[N@H+](C)CC[C@H](C)O ZINC000245438767 388579641 /nfs/dbraw/zinc/57/96/41/388579641.db2.gz FMPLZUMPHKORBX-STQMWFEESA-N 2 1 246.395 0.782 20 0 BCADMP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245448163 388580554 /nfs/dbraw/zinc/58/05/54/388580554.db2.gz MQOAUEWEEMPEBI-MNOVXSKESA-N 2 1 200.326 0.905 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301619 388584488 /nfs/dbraw/zinc/58/44/88/388584488.db2.gz HBMMTNBLIVUALA-NJMOYASZSA-N 2 1 249.358 0.480 20 0 BCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301620 388584527 /nfs/dbraw/zinc/58/45/27/388584527.db2.gz HBMMTNBLIVUALA-RXGFPQBGSA-N 2 1 249.358 0.480 20 0 BCADMP CC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192721030 388682607 /nfs/dbraw/zinc/68/26/07/388682607.db2.gz LPOWTNHJXSDNBR-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[NH2+]C1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000521624524 388620727 /nfs/dbraw/zinc/62/07/27/388620727.db2.gz KEPPYNAJEDKRPJ-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000521624524 388620729 /nfs/dbraw/zinc/62/07/29/388620729.db2.gz KEPPYNAJEDKRPJ-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCC[NH2+]1 ZINC000530182675 388624077 /nfs/dbraw/zinc/62/40/77/388624077.db2.gz YPGHXBGKMGGKTJ-FRRDWIJNSA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCC[NH2+]1 ZINC000530182675 388624080 /nfs/dbraw/zinc/62/40/80/388624080.db2.gz YPGHXBGKMGGKTJ-FRRDWIJNSA-N 2 1 239.363 0.191 20 0 BCADMP CCn1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000530208593 388626085 /nfs/dbraw/zinc/62/60/85/388626085.db2.gz IDWJPKNGTUUTDD-JQWIXIFHSA-N 2 1 237.351 0.905 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219413 388631305 /nfs/dbraw/zinc/63/13/05/388631305.db2.gz LSCRFNDXMZFPOO-WOPDTQHZSA-N 2 1 223.364 0.811 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530234487 388636458 /nfs/dbraw/zinc/63/64/58/388636458.db2.gz QSBCZUNGPKQKMV-JTQLQIEISA-N 2 1 222.292 0.668 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530234487 388636462 /nfs/dbraw/zinc/63/64/62/388636462.db2.gz QSBCZUNGPKQKMV-JTQLQIEISA-N 2 1 222.292 0.668 20 0 BCADMP CCOC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232438 388636842 /nfs/dbraw/zinc/63/68/42/388636842.db2.gz PCVDVVYVKVFQKK-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000551949287 388649507 /nfs/dbraw/zinc/64/95/07/388649507.db2.gz DURKIUKALHKZEC-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000620897925 388652327 /nfs/dbraw/zinc/65/23/27/388652327.db2.gz GUHBFPYCHIFDKM-QJPTWQEYSA-N 2 1 239.363 0.537 20 0 BCADMP Cn1cnnc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246806072 388652760 /nfs/dbraw/zinc/65/27/60/388652760.db2.gz JGSJRDOFFLVKCC-RYUDHWBXSA-N 2 1 249.362 0.731 20 0 BCADMP CCn1nccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194541161 388735033 /nfs/dbraw/zinc/73/50/33/388735033.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 1 234.347 0.896 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000648730520 388752035 /nfs/dbraw/zinc/75/20/35/388752035.db2.gz FWKPFTKBXCIZMG-GMTAPVOTSA-N 2 1 227.352 0.393 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522145162 388705868 /nfs/dbraw/zinc/70/58/68/388705868.db2.gz LYWWKGJFQAAHCL-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522145162 388705871 /nfs/dbraw/zinc/70/58/71/388705871.db2.gz LYWWKGJFQAAHCL-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522145162 388705873 /nfs/dbraw/zinc/70/58/73/388705873.db2.gz LYWWKGJFQAAHCL-GFCCVEGCSA-N 2 1 241.379 0.785 20 0 BCADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229602619 388796072 /nfs/dbraw/zinc/79/60/72/388796072.db2.gz FDINCDHGFSZXJZ-HBNTYKKESA-N 2 1 200.326 0.951 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000230191411 388819245 /nfs/dbraw/zinc/81/92/45/388819245.db2.gz IIQVLAGHDAFYGW-GARJFASQSA-N 2 1 225.336 0.195 20 0 BCADMP CC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523662593 388849659 /nfs/dbraw/zinc/84/96/59/388849659.db2.gz XBFJLAIMWRXYPZ-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523663168 388850202 /nfs/dbraw/zinc/85/02/02/388850202.db2.gz RDXVEEMSLZWVKH-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000564988231 388905372 /nfs/dbraw/zinc/90/53/72/388905372.db2.gz JYFPBDWRJUJBKM-VIFPVBQESA-N 2 1 238.339 0.203 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564985213 388905585 /nfs/dbraw/zinc/90/55/85/388905585.db2.gz FVLFXZMYZWOPGT-LBPRGKRZSA-N 3 1 227.352 0.037 20 0 BCADMP [NH3+]CCOCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564985213 388905587 /nfs/dbraw/zinc/90/55/87/388905587.db2.gz FVLFXZMYZWOPGT-LBPRGKRZSA-N 2 1 227.352 0.037 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000565040649 388910308 /nfs/dbraw/zinc/91/03/08/388910308.db2.gz NSSHRDCFKPZOES-UTUOFQBUSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185658 388923074 /nfs/dbraw/zinc/92/30/74/388923074.db2.gz NKXZOUIMVOEZGM-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000565206361 388926024 /nfs/dbraw/zinc/92/60/24/388926024.db2.gz BPXSBYDRGJZNCK-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000565206361 388926022 /nfs/dbraw/zinc/92/60/22/388926022.db2.gz BPXSBYDRGJZNCK-NEPJUHHUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565233679 388929670 /nfs/dbraw/zinc/92/96/70/388929670.db2.gz OJNHYPCGUDIDPF-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000565599016 388957728 /nfs/dbraw/zinc/95/77/28/388957728.db2.gz BCKWLKRRWOBDQZ-LLVKDONJSA-N 2 1 228.336 0.999 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)OC[C@@H]1C ZINC000565664841 388961935 /nfs/dbraw/zinc/96/19/35/388961935.db2.gz CAMDWDVLXFIYDV-NWDGAFQWSA-N 2 1 244.379 0.798 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000565421706 388942842 /nfs/dbraw/zinc/94/28/42/388942842.db2.gz ARTSYSFZRJCPMP-QWHCGFSZSA-N 2 1 242.363 0.853 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000565886983 388976161 /nfs/dbraw/zinc/97/61/61/388976161.db2.gz JBYXKUVAVRIJAO-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP C[N@H+]1CC=C(C[NH2+]Cc2cc[nH]n2)CC1 ZINC000271771891 389024885 /nfs/dbraw/zinc/02/48/85/389024885.db2.gz BUHSULMXTUZSOC-UHFFFAOYSA-N 2 1 206.293 0.761 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc[nH]n2)CC1 ZINC000271771891 389024887 /nfs/dbraw/zinc/02/48/87/389024887.db2.gz BUHSULMXTUZSOC-UHFFFAOYSA-N 2 1 206.293 0.761 20 0 BCADMP C[N@H+]1CC=C(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000271902491 389027168 /nfs/dbraw/zinc/02/71/68/389027168.db2.gz QNSMNGNNHZHRCC-UHFFFAOYSA-N 2 1 206.293 0.761 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000271902491 389027170 /nfs/dbraw/zinc/02/71/70/389027170.db2.gz QNSMNGNNHZHRCC-UHFFFAOYSA-N 2 1 206.293 0.761 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000368687334 169693827 /nfs/dbraw/zinc/69/38/27/169693827.db2.gz JQSYEAVGROQVMO-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP C[C@@H](NCC[NH+]1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400330762 533395152 /nfs/dbraw/zinc/39/51/52/533395152.db2.gz BTMWQBFWUIEUOK-NEPJUHHUSA-N 2 1 243.420 0.765 20 0 BCADMP C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCC[NH2+]1 ZINC000400386279 533406353 /nfs/dbraw/zinc/40/63/53/533406353.db2.gz LXCJVFZQFMASAX-GHMZBOCLSA-N 2 1 208.309 0.613 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335930962 134010299 /nfs/dbraw/zinc/01/02/99/134010299.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335930962 134010300 /nfs/dbraw/zinc/01/03/00/134010300.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335930962 134010301 /nfs/dbraw/zinc/01/03/01/134010301.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000335931236 134010728 /nfs/dbraw/zinc/01/07/28/134010728.db2.gz GDVTTZBPRLNKNE-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000335969172 134029122 /nfs/dbraw/zinc/02/91/22/134029122.db2.gz PJCZFRSFPQLYNB-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000335969172 134029123 /nfs/dbraw/zinc/02/91/23/134029123.db2.gz PJCZFRSFPQLYNB-GHMZBOCLSA-N 2 1 225.336 0.101 20 0 BCADMP COC1CC(N(C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352114672 134069710 /nfs/dbraw/zinc/06/97/10/134069710.db2.gz BQWBZEULJTWLDX-CPCZMJQVSA-N 2 1 242.363 0.551 20 0 BCADMP COC1CC(N(C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352114673 134069778 /nfs/dbraw/zinc/06/97/78/134069778.db2.gz BQWBZEULJTWLDX-OTTFEQOBSA-N 2 1 242.363 0.551 20 0 BCADMP CCN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071465 /nfs/dbraw/zinc/07/14/65/134071465.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071466 /nfs/dbraw/zinc/07/14/66/134071466.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071467 /nfs/dbraw/zinc/07/14/67/134071467.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071468 /nfs/dbraw/zinc/07/14/68/134071468.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071469 /nfs/dbraw/zinc/07/14/69/134071469.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000352115428 134071470 /nfs/dbraw/zinc/07/14/70/134071470.db2.gz LDZJDWXIBZIVEJ-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000336092480 134079074 /nfs/dbraw/zinc/07/90/74/134079074.db2.gz BJMUSCBTBQXXRK-NSHDSACASA-N 2 1 227.352 0.347 20 0 BCADMP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000336092480 134079075 /nfs/dbraw/zinc/07/90/75/134079075.db2.gz BJMUSCBTBQXXRK-NSHDSACASA-N 2 1 227.352 0.347 20 0 BCADMP C[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000167594325 134116516 /nfs/dbraw/zinc/11/65/16/134116516.db2.gz MXJZNYBGAAPUQI-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000167594325 134116517 /nfs/dbraw/zinc/11/65/17/134116517.db2.gz MXJZNYBGAAPUQI-MNOVXSKESA-N 2 1 222.336 0.837 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000336175213 134116668 /nfs/dbraw/zinc/11/66/68/134116668.db2.gz ZWRLTDIWYJCYNU-WCQYABFASA-N 2 1 237.347 0.150 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000336175214 134116817 /nfs/dbraw/zinc/11/68/17/134116817.db2.gz ZWRLTDIWYJCYNU-YPMHNXCESA-N 2 1 237.347 0.150 20 0 BCADMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)C1CC([NH3+])C1 ZINC000336211673 134134657 /nfs/dbraw/zinc/13/46/57/134134657.db2.gz FHWXRFLXWBIMJI-HACHORDNSA-N 2 1 247.289 0.179 20 0 BCADMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000336212121 134135359 /nfs/dbraw/zinc/13/53/59/134135359.db2.gz IEBXDEYZGTYLFW-JQWIXIFHSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000336213117 134135487 /nfs/dbraw/zinc/13/54/87/134135487.db2.gz CVVVXOIPVGCNDZ-ZJUUUORDSA-N 2 1 237.347 0.609 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000218868683 134265336 /nfs/dbraw/zinc/26/53/36/134265336.db2.gz KFNLIKCSVREANL-RKDXNWHRSA-N 2 1 213.325 0.180 20 0 BCADMP Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nn1 ZINC000219556179 134285363 /nfs/dbraw/zinc/28/53/63/134285363.db2.gz MLZBFBZDDYIEEL-ZDUSSCGKSA-N 2 1 249.362 0.779 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C ZINC000176307052 134290870 /nfs/dbraw/zinc/29/08/70/134290870.db2.gz QEMLASYAVXSVAQ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C ZINC000176307052 134290872 /nfs/dbraw/zinc/29/08/72/134290872.db2.gz QEMLASYAVXSVAQ-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP COC[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000219861129 134291984 /nfs/dbraw/zinc/29/19/84/134291984.db2.gz SMTMZPJSEROMGV-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972231 134313901 /nfs/dbraw/zinc/31/39/01/134313901.db2.gz HAFWGRZPOVCBQR-GFCCVEGCSA-N 2 1 239.363 0.442 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178977005 134314046 /nfs/dbraw/zinc/31/40/46/134314046.db2.gz FWCMCGIEMLGNKP-JTQLQIEISA-N 2 1 227.352 0.300 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178977013 134314213 /nfs/dbraw/zinc/31/42/13/134314213.db2.gz FWCMCGIEMLGNKP-SNVBAGLBSA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815597 134315546 /nfs/dbraw/zinc/31/55/46/134315546.db2.gz HSDPWMBBRFGBOA-ZJUUUORDSA-N 2 1 213.325 0.147 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000178838565 134315615 /nfs/dbraw/zinc/31/56/15/134315615.db2.gz SPQPQRHEZKMQRB-RYUDHWBXSA-N 2 1 241.379 0.642 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000178838575 134315658 /nfs/dbraw/zinc/31/56/58/134315658.db2.gz SPQPQRHEZKMQRB-NWDGAFQWSA-N 2 1 241.379 0.642 20 0 BCADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418876 134331909 /nfs/dbraw/zinc/33/19/09/134331909.db2.gz VCUGZOOXABFCSJ-UPJWGTAASA-N 2 1 240.347 0.354 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000223219370 134337785 /nfs/dbraw/zinc/33/77/85/134337785.db2.gz PLIORIFTLVROHZ-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224022698 134344435 /nfs/dbraw/zinc/34/44/35/134344435.db2.gz NELSQUQBGKDPMQ-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224910423 134350521 /nfs/dbraw/zinc/35/05/21/134350521.db2.gz BWOWLWYCQMICCU-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226081452 134358373 /nfs/dbraw/zinc/35/83/73/134358373.db2.gz XXJBMHGTUZTWIT-VHSXEESVSA-N 2 1 245.392 0.277 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403932 134365480 /nfs/dbraw/zinc/36/54/80/134365480.db2.gz SRNWKKZHIHTUGT-YFKTTZPYSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402706 134365928 /nfs/dbraw/zinc/36/59/28/134365928.db2.gz AGVOFGJOZDXFDY-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402706 134365929 /nfs/dbraw/zinc/36/59/29/134365929.db2.gz AGVOFGJOZDXFDY-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226868791 134370305 /nfs/dbraw/zinc/37/03/05/134370305.db2.gz VVILLYPXRWIEPG-DCAQKATOSA-N 2 1 227.352 0.713 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867559 134370622 /nfs/dbraw/zinc/37/06/22/134370622.db2.gz SRNWKKZHIHTUGT-BJDJZHNGSA-N 2 1 241.379 0.959 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000227331376 134377950 /nfs/dbraw/zinc/37/79/50/134377950.db2.gz GTZIJQLXKYWIIZ-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052020051 134693935 /nfs/dbraw/zinc/69/39/35/134693935.db2.gz OFQLOXNVORPDTC-PBINXNQUSA-N 2 1 210.325 0.603 20 0 BCADMP CS(=O)(=O)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070543157 134920639 /nfs/dbraw/zinc/92/06/39/134920639.db2.gz DIFQVULFAWDAPL-NSHDSACASA-N 2 1 248.392 0.482 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000249859415 135046141 /nfs/dbraw/zinc/04/61/41/135046141.db2.gz NEOKZEFTKGMEJL-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000249859415 135046143 /nfs/dbraw/zinc/04/61/43/135046143.db2.gz NEOKZEFTKGMEJL-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000249859416 135046337 /nfs/dbraw/zinc/04/63/37/135046337.db2.gz NEOKZEFTKGMEJL-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000249859416 135046338 /nfs/dbraw/zinc/04/63/38/135046338.db2.gz NEOKZEFTKGMEJL-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250237643 135050612 /nfs/dbraw/zinc/05/06/12/135050612.db2.gz GZJFHLCAHQDNGW-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250237643 135050613 /nfs/dbraw/zinc/05/06/13/135050613.db2.gz GZJFHLCAHQDNGW-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250362384 135052570 /nfs/dbraw/zinc/05/25/70/135052570.db2.gz DEUJFZIJLSHDON-QWRGUYRKSA-N 2 1 225.336 0.339 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370628 135053192 /nfs/dbraw/zinc/05/31/92/135053192.db2.gz VPKIBRHVOYGNAQ-NWDGAFQWSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250392112 135053508 /nfs/dbraw/zinc/05/35/08/135053508.db2.gz YFKAYFBHZIUWDY-VXGBXAGGSA-N 2 1 241.379 0.675 20 0 BCADMP C[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251198566 135065708 /nfs/dbraw/zinc/06/57/08/135065708.db2.gz KFNZBTPDCRCACF-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251309869 135068031 /nfs/dbraw/zinc/06/80/31/135068031.db2.gz JVHKYINWXHRIJD-RYUDHWBXSA-N 2 1 239.363 0.524 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000086435577 135084045 /nfs/dbraw/zinc/08/40/45/135084045.db2.gz AURJQIBNXXKPOF-MNOVXSKESA-N 2 1 214.309 0.215 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252137363 135085064 /nfs/dbraw/zinc/08/50/64/135085064.db2.gz MSNJCURMHZQZBY-BBBLOLIVSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000252385814 135087450 /nfs/dbraw/zinc/08/74/50/135087450.db2.gz KMEHOFPZBWQXGE-NDBYEHHHSA-N 2 1 242.363 0.720 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252688109 135097179 /nfs/dbraw/zinc/09/71/79/135097179.db2.gz NFEATJYFRUDVGC-QWRGUYRKSA-N 2 1 200.326 0.689 20 0 BCADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714825 135101865 /nfs/dbraw/zinc/10/18/65/135101865.db2.gz TUTPJNIVOOPGBE-WOPDTQHZSA-N 2 1 213.369 0.866 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000252730512 135103718 /nfs/dbraw/zinc/10/37/18/135103718.db2.gz LRKZTIXDQOWGIK-JHJVBQTASA-N 2 1 241.379 0.247 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261598977 135110030 /nfs/dbraw/zinc/11/00/30/135110030.db2.gz ZQOBMEBPKTYWMB-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CN(C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000261579880 135110051 /nfs/dbraw/zinc/11/00/51/135110051.db2.gz MNHKUKSWVXCVRO-LBPRGKRZSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000261579880 135110054 /nfs/dbraw/zinc/11/00/54/135110054.db2.gz MNHKUKSWVXCVRO-LBPRGKRZSA-N 2 1 225.336 0.278 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253201788 135124989 /nfs/dbraw/zinc/12/49/89/135124989.db2.gz YHGXQHWCEHSTGM-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253201788 135124990 /nfs/dbraw/zinc/12/49/90/135124990.db2.gz YHGXQHWCEHSTGM-GMTAPVOTSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH2+]CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258791995 135134374 /nfs/dbraw/zinc/13/43/74/135134374.db2.gz MMMYMVXJXDZPPK-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000257638601 135137702 /nfs/dbraw/zinc/13/77/02/135137702.db2.gz AEKVNNUSXHNLQW-UHFFFAOYSA-N 2 1 234.347 0.996 20 0 BCADMP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000257697054 135139959 /nfs/dbraw/zinc/13/99/59/135139959.db2.gz KKHSNHFEXYUQCX-CQSZACIVSA-N 2 1 246.358 0.561 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000260219632 135147695 /nfs/dbraw/zinc/14/76/95/135147695.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000260219632 135147697 /nfs/dbraw/zinc/14/76/97/135147697.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000260219632 135147698 /nfs/dbraw/zinc/14/76/98/135147698.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000260382371 135148469 /nfs/dbraw/zinc/14/84/69/135148469.db2.gz OBRZBDQURZGDTN-NSHDSACASA-N 2 1 228.336 0.966 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530261 135157731 /nfs/dbraw/zinc/15/77/31/135157731.db2.gz CCXWOSVGSYBAKA-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(C)(CO)CC1 ZINC000261530633 135157835 /nfs/dbraw/zinc/15/78/35/135157835.db2.gz CWUDIMNXZWLTRJ-UHFFFAOYSA-N 2 1 200.326 0.818 20 0 BCADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000087647881 135160663 /nfs/dbraw/zinc/16/06/63/135160663.db2.gz CIMGCWGBTFIFHF-FKJOKYEKSA-N 2 1 224.348 0.974 20 0 BCADMP OCC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261531871 135161787 /nfs/dbraw/zinc/16/17/87/135161787.db2.gz IDOWZMWRFKOQTN-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539695 135178465 /nfs/dbraw/zinc/17/84/65/135178465.db2.gz BBAWGDPLNDEZJP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539695 135178466 /nfs/dbraw/zinc/17/84/66/135178466.db2.gz BBAWGDPLNDEZJP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540041 135178974 /nfs/dbraw/zinc/17/89/74/135178974.db2.gz DCOLRPRIGZQOBA-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261539795 135179001 /nfs/dbraw/zinc/17/90/01/135179001.db2.gz DDTZQKOGGKUYAH-RYUDHWBXSA-N 2 1 212.337 0.689 20 0 BCADMP C[C@H]1NCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261541468 135180672 /nfs/dbraw/zinc/18/06/72/135180672.db2.gz GADIZCQTGUNUAJ-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1[NH2+]CCN(CC2CC[NH2+]CC2)[C@@H]1C ZINC000261541468 135180675 /nfs/dbraw/zinc/18/06/75/135180675.db2.gz GADIZCQTGUNUAJ-GHMZBOCLSA-N 2 1 211.353 0.668 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541067 135180988 /nfs/dbraw/zinc/18/09/88/135180988.db2.gz JECWZALUGMHDSD-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1NCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261541470 135181362 /nfs/dbraw/zinc/18/13/62/135181362.db2.gz GADIZCQTGUNUAJ-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1[NH2+]CCN(CC2CC[NH2+]CC2)[C@H]1C ZINC000261541470 135181364 /nfs/dbraw/zinc/18/13/64/135181364.db2.gz GADIZCQTGUNUAJ-QWRGUYRKSA-N 2 1 211.353 0.668 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000261541984 135182163 /nfs/dbraw/zinc/18/21/63/135182163.db2.gz GFXQQFIBKDJPIF-UTUOFQBUSA-N 2 1 210.321 0.564 20 0 BCADMP CNC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261542903 135183298 /nfs/dbraw/zinc/18/32/98/135183298.db2.gz HFBJQLKERFUKNA-GFCCVEGCSA-N 2 1 211.353 0.670 20 0 BCADMP CNC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261542903 135183299 /nfs/dbraw/zinc/18/32/99/135183299.db2.gz HFBJQLKERFUKNA-GFCCVEGCSA-N 2 1 211.353 0.670 20 0 BCADMP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000261543835 135184934 /nfs/dbraw/zinc/18/49/34/135184934.db2.gz VREWXRHMEIZWRI-GRYCIOLGSA-N 2 1 241.379 0.973 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261544292 135185449 /nfs/dbraw/zinc/18/54/49/135185449.db2.gz DQGICAKZVHHAMY-OLZOCXBDSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261544292 135185451 /nfs/dbraw/zinc/18/54/51/135185451.db2.gz DQGICAKZVHHAMY-OLZOCXBDSA-N 2 1 234.347 0.646 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000261544157 135185669 /nfs/dbraw/zinc/18/56/69/135185669.db2.gz XHCJYEMXDPKYJV-WDEREUQCSA-N 2 1 241.379 0.688 20 0 BCADMP CC1(C)C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551152 135190266 /nfs/dbraw/zinc/19/02/66/135190266.db2.gz QFIANAOPNFPWSO-PWSUYJOCSA-N 2 1 212.337 0.689 20 0 BCADMP OC[C@@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261551387 135190633 /nfs/dbraw/zinc/19/06/33/135190633.db2.gz QMHAUPJGRBOEFF-LLVKDONJSA-N 2 1 216.300 0.392 20 0 BCADMP O[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557283 135197686 /nfs/dbraw/zinc/19/76/86/135197686.db2.gz XEIDBYMALKXECZ-GHMZBOCLSA-N 2 1 210.321 0.443 20 0 BCADMP O[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557287 135197923 /nfs/dbraw/zinc/19/79/23/135197923.db2.gz XEIDBYMALKXECZ-QWRGUYRKSA-N 2 1 210.321 0.443 20 0 BCADMP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000261560891 135201681 /nfs/dbraw/zinc/20/16/81/135201681.db2.gz AHLIZCMHGWHKRJ-OPRDCNLKSA-N 2 1 213.325 0.132 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561180 135201938 /nfs/dbraw/zinc/20/19/38/135201938.db2.gz AKWYJFLOKNJHKW-VXGBXAGGSA-N 2 1 228.336 0.191 20 0 BCADMP c1ncn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261561407 135202594 /nfs/dbraw/zinc/20/25/94/135202594.db2.gz VJRVDPAJMOTETK-UHFFFAOYSA-N 2 1 235.335 0.354 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564803 135206693 /nfs/dbraw/zinc/20/66/93/135206693.db2.gz CSJGLAMPFNFAMP-GFCCVEGCSA-N 2 1 222.336 0.899 20 0 BCADMP Cc1nn(C)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564803 135206695 /nfs/dbraw/zinc/20/66/95/135206695.db2.gz CSJGLAMPFNFAMP-GFCCVEGCSA-N 2 1 222.336 0.899 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261568610 135210362 /nfs/dbraw/zinc/21/03/62/135210362.db2.gz FQKFSEFSLKHRCA-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C(C)(C)C[NH3+] ZINC000261576602 135217408 /nfs/dbraw/zinc/21/74/08/135217408.db2.gz KKHRMSMCARTLGL-UHFFFAOYSA-N 2 1 224.308 0.293 20 0 BCADMP C[N@H+](CCOCC(F)F)[C@H](C[NH3+])C1CC1 ZINC000261579641 135220532 /nfs/dbraw/zinc/22/05/32/135220532.db2.gz MLLUCPKMYPASPX-SECBINFHSA-N 2 1 222.279 0.937 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000261585203 135225859 /nfs/dbraw/zinc/22/58/59/135225859.db2.gz SUSLLKCFJBQPPW-CQSZACIVSA-N 2 1 247.342 0.956 20 0 BCADMP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164396980 135226124 /nfs/dbraw/zinc/22/61/24/135226124.db2.gz HTQUOXWJHNSQIV-AXFHLTTASA-N 2 1 225.336 0.182 20 0 BCADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261587303 135228170 /nfs/dbraw/zinc/22/81/70/135228170.db2.gz RQXCREYCOUGNCD-KWQFWETISA-N 2 1 208.309 0.887 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261587303 135228171 /nfs/dbraw/zinc/22/81/71/135228171.db2.gz RQXCREYCOUGNCD-KWQFWETISA-N 2 1 208.309 0.887 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261588866 135229383 /nfs/dbraw/zinc/22/93/83/135229383.db2.gz SRPVUFAECBQFQJ-QWRGUYRKSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000261588866 135229382 /nfs/dbraw/zinc/22/93/82/135229382.db2.gz SRPVUFAECBQFQJ-QWRGUYRKSA-N 3 1 215.341 0.163 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261591686 135232089 /nfs/dbraw/zinc/23/20/89/135232089.db2.gz VMDBDEWNDUFIPB-PWSUYJOCSA-N 3 1 211.353 0.655 20 0 BCADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)NC1CC1 ZINC000261598508 135236447 /nfs/dbraw/zinc/23/64/47/135236447.db2.gz ZPCHYEWRUPPCEP-NSHDSACASA-N 2 1 213.325 0.228 20 0 BCADMP FC(F)COCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547321 135240333 /nfs/dbraw/zinc/24/03/33/135240333.db2.gz MCLSLCPKZVJPOX-DTORHVGOSA-N 2 1 220.263 0.419 20 0 BCADMP FC(F)COCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547321 135240334 /nfs/dbraw/zinc/24/03/34/135240334.db2.gz MCLSLCPKZVJPOX-DTORHVGOSA-N 2 1 220.263 0.419 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CSC[NH2+]1 ZINC000261548120 135242117 /nfs/dbraw/zinc/24/21/17/135242117.db2.gz NAPVAEVZFDOJML-QMMMGPOBSA-N 2 1 231.365 0.092 20 0 BCADMP CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261674809 135245482 /nfs/dbraw/zinc/24/54/82/135245482.db2.gz GKYPZMLBVVELQD-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C(NC1=[NH+]CCCN1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261685930 135246058 /nfs/dbraw/zinc/24/60/58/135246058.db2.gz AOKWBUVNCZEWKK-JTQLQIEISA-N 2 1 222.336 0.410 20 0 BCADMP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261700434 135246755 /nfs/dbraw/zinc/24/67/55/135246755.db2.gz LLGQFHPWPWMOGV-VXGBXAGGSA-N 2 1 237.347 0.434 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261719308 135247319 /nfs/dbraw/zinc/24/73/19/135247319.db2.gz FBBPYJLETUVEEI-RYUDHWBXSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000084420023 135248677 /nfs/dbraw/zinc/24/86/77/135248677.db2.gz PJFGHNFMVLPFMH-ZJUUUORDSA-N 2 1 243.376 0.202 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261772830 135251672 /nfs/dbraw/zinc/25/16/72/135251672.db2.gz MWNFWAOEOSJXDL-NWDGAFQWSA-N 2 1 225.336 0.183 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261844330 135256801 /nfs/dbraw/zinc/25/68/01/135256801.db2.gz OFAYVVKKPLQECM-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261844333 135256823 /nfs/dbraw/zinc/25/68/23/135256823.db2.gz OFAYVVKKPLQECM-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@]1(C[N@@H+]2CCN3CCOC[C@@H]3C2)CC[NH2+]C1 ZINC000261877457 135258881 /nfs/dbraw/zinc/25/88/81/135258881.db2.gz QEYZISZHTPMUCL-QWHCGFSZSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@@]1(C[N@H+]2CCN3CCOC[C@@H]3C2)CC[NH2+]C1 ZINC000261877457 135258883 /nfs/dbraw/zinc/25/88/83/135258883.db2.gz QEYZISZHTPMUCL-QWHCGFSZSA-N 2 1 239.363 0.002 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261900091 135260791 /nfs/dbraw/zinc/26/07/91/135260791.db2.gz YVSGLVHKLAHNFD-WCABBAIRSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000261899653 135261170 /nfs/dbraw/zinc/26/11/70/135261170.db2.gz UVENNRBTZBHIBE-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261909729 135261461 /nfs/dbraw/zinc/26/14/61/135261461.db2.gz GKRUBNJKGRRDBJ-JTQLQIEISA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261923318 135263870 /nfs/dbraw/zinc/26/38/70/135263870.db2.gz BWGQOWNSNDRGCL-LBPRGKRZSA-N 2 1 241.379 0.962 20 0 BCADMP OCC[C@H]1CSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261937026 135264050 /nfs/dbraw/zinc/26/40/50/135264050.db2.gz MGLZHRCJFYTOHM-RYUDHWBXSA-N 2 1 244.404 0.786 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005278 135271234 /nfs/dbraw/zinc/27/12/34/135271234.db2.gz LSEWAZVWZQDMLY-ZYHUDNBSSA-N 2 1 226.320 0.481 20 0 BCADMP CCN1CCC[N@@H+](CC2CC[NH2+]CC2)CC1=O ZINC000262013889 135272738 /nfs/dbraw/zinc/27/27/38/135272738.db2.gz VKKVQXKMYQDJLT-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C[NH+](C)[C@@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000262029088 135273597 /nfs/dbraw/zinc/27/35/97/135273597.db2.gz NWPRNFGWMMTUNX-CYBMUJFWSA-N 2 1 247.342 0.625 20 0 BCADMP C[C@]1(C[N@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064584 135277130 /nfs/dbraw/zinc/27/71/30/135277130.db2.gz RMLDTVJZYZRGLP-AAEUAGOBSA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@]1(C[N@H+]2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075430 135277447 /nfs/dbraw/zinc/27/74/47/135277447.db2.gz SODZOHCUBWVQPD-DGCLKSJQSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262178071 135283917 /nfs/dbraw/zinc/28/39/17/135283917.db2.gz WFMOUWWEYKYKMI-FRRDWIJNSA-N 2 1 223.364 0.622 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC1=[NH+]CCCN1 ZINC000262199479 135285272 /nfs/dbraw/zinc/28/52/72/135285272.db2.gz ZZZSOWBTSUXAFB-SNVBAGLBSA-N 2 1 212.341 0.656 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262225858 135286547 /nfs/dbraw/zinc/28/65/47/135286547.db2.gz LGKYFJFEXHVCAQ-JTQLQIEISA-N 2 1 225.336 0.006 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000262307065 135292135 /nfs/dbraw/zinc/29/21/35/135292135.db2.gz CLBCUNWJDZJVNN-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000262307062 135292144 /nfs/dbraw/zinc/29/21/44/135292144.db2.gz CLBCUNWJDZJVNN-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000262307063 135292381 /nfs/dbraw/zinc/29/23/81/135292381.db2.gz CLBCUNWJDZJVNN-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000262304520 135292473 /nfs/dbraw/zinc/29/24/73/135292473.db2.gz CAKGYDYCTQQQNE-TXEJJXNPSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262321667 135293249 /nfs/dbraw/zinc/29/32/49/135293249.db2.gz FGSYRPWUKLAPDE-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000262336169 135293573 /nfs/dbraw/zinc/29/35/73/135293573.db2.gz HGWJTYRQXKABDG-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000262394736 135298576 /nfs/dbraw/zinc/29/85/76/135298576.db2.gz OSIOCCSSRVXYOR-WOPDTQHZSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000342637660 135299052 /nfs/dbraw/zinc/29/90/52/135299052.db2.gz BQOJZUOKZTZBHW-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515493 135304250 /nfs/dbraw/zinc/30/42/50/135304250.db2.gz RMFHSQFVUOTJPI-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544792 135305173 /nfs/dbraw/zinc/30/51/73/135305173.db2.gz ZOCDQILURJUOOU-QWRGUYRKSA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591690 135307487 /nfs/dbraw/zinc/30/74/87/135307487.db2.gz UAUSDDOMGRDOTN-UHFFFAOYSA-N 2 1 229.368 0.770 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000262655719 135311797 /nfs/dbraw/zinc/31/17/97/135311797.db2.gz CSDXONQYWIVISF-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342732728 135316908 /nfs/dbraw/zinc/31/69/08/135316908.db2.gz LTLHEFNTDAXVAK-CYBMUJFWSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCCOC)C1 ZINC000079469613 135322756 /nfs/dbraw/zinc/32/27/56/135322756.db2.gz HDHOCLKRWBSBPC-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCCOC)C1 ZINC000079469613 135322758 /nfs/dbraw/zinc/32/27/58/135322758.db2.gz HDHOCLKRWBSBPC-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCCOC)C1 ZINC000079469613 135322759 /nfs/dbraw/zinc/32/27/59/135322759.db2.gz HDHOCLKRWBSBPC-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCCOC)C1 ZINC000079469613 135322761 /nfs/dbraw/zinc/32/27/61/135322761.db2.gz HDHOCLKRWBSBPC-CYBMUJFWSA-N 2 1 244.379 0.923 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342774815 135327242 /nfs/dbraw/zinc/32/72/42/135327242.db2.gz GKEMZZQVCPUREN-TUAOUCFPSA-N 2 1 241.379 0.641 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000334294525 135341689 /nfs/dbraw/zinc/34/16/89/135341689.db2.gz TZUHMBIEZXKSNG-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+](CCNC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001035 135385791 /nfs/dbraw/zinc/38/57/91/135385791.db2.gz YSZZOGVRZPJSNQ-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C=C[C@@H](CO)C1 ZINC000348069703 136026581 /nfs/dbraw/zinc/02/65/81/136026581.db2.gz HXWDTMBLRKGART-NDBYEHHHSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000335329712 136053371 /nfs/dbraw/zinc/05/33/71/136053371.db2.gz IBMRCGLMDNHEMC-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000335329712 136053372 /nfs/dbraw/zinc/05/33/72/136053372.db2.gz IBMRCGLMDNHEMC-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000335341155 136063994 /nfs/dbraw/zinc/06/39/94/136063994.db2.gz FLDCBQRYGDJCER-UWVGGRQHSA-N 2 1 228.340 0.069 20 0 BCADMP CN1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401002 136094224 /nfs/dbraw/zinc/09/42/24/136094224.db2.gz UJEOKYDJHWUZNT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP CN1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335401002 136094225 /nfs/dbraw/zinc/09/42/25/136094225.db2.gz UJEOKYDJHWUZNT-WCQYABFASA-N 2 1 237.347 0.293 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)C[N@H+]1C1CC1 ZINC000335562878 136106615 /nfs/dbraw/zinc/10/66/15/136106615.db2.gz ZNJYGAMVZVBJCL-NXEZZACHSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)C[N@H+]1C1CC1 ZINC000335562879 136106654 /nfs/dbraw/zinc/10/66/54/136106654.db2.gz ZNJYGAMVZVBJCL-UWVGGRQHSA-N 2 1 237.347 0.337 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000335570787 136109463 /nfs/dbraw/zinc/10/94/63/136109463.db2.gz IFMVLEMKXORSFT-VXGBXAGGSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000335570787 136109464 /nfs/dbraw/zinc/10/94/64/136109464.db2.gz IFMVLEMKXORSFT-VXGBXAGGSA-N 2 1 210.321 0.803 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000335570787 136109465 /nfs/dbraw/zinc/10/94/65/136109465.db2.gz IFMVLEMKXORSFT-VXGBXAGGSA-N 2 1 210.321 0.803 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1([NH3+])CC1 ZINC000165319063 397750217 /nfs/dbraw/zinc/75/02/17/397750217.db2.gz DOONSTRLXOKLLF-JTQLQIEISA-N 2 1 225.336 0.278 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@H+]1C ZINC000178816105 397847800 /nfs/dbraw/zinc/84/78/00/397847800.db2.gz SMDSNDWVJDQHSV-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC000644816749 397968717 /nfs/dbraw/zinc/96/87/17/397968717.db2.gz XLEYTQRXGDOROF-VXGBXAGGSA-N 2 1 248.330 0.436 20 0 BCADMP C[N@@H+](C[C@@H]1CCC(=O)N1)C[C@H]1CCC[NH+](C)C1 ZINC000649539558 397933233 /nfs/dbraw/zinc/93/32/33/397933233.db2.gz ZHYMTDOJCNFXOQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C[C@@H]1CCC(=O)N1)C[C@H]1CCC[N@H+](C)C1 ZINC000649539558 397933239 /nfs/dbraw/zinc/93/32/39/397933239.db2.gz ZHYMTDOJCNFXOQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C[C@@H]1CCC(=O)N1)C[C@H]1CCC[N@@H+](C)C1 ZINC000649539558 397933244 /nfs/dbraw/zinc/93/32/44/397933244.db2.gz ZHYMTDOJCNFXOQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000649547236 397938724 /nfs/dbraw/zinc/93/87/24/397938724.db2.gz OSUMAJUVCBMLAK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000649547236 397938725 /nfs/dbraw/zinc/93/87/25/397938725.db2.gz OSUMAJUVCBMLAK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547236 397938726 /nfs/dbraw/zinc/93/87/26/397938726.db2.gz OSUMAJUVCBMLAK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC(=O)N2)CC[NH+]1C ZINC000649547236 397938727 /nfs/dbraw/zinc/93/87/27/397938727.db2.gz OSUMAJUVCBMLAK-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000383194894 397960463 /nfs/dbraw/zinc/96/04/63/397960463.db2.gz VFRGEBJZMQYDSL-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCn2ccnc2)C1 ZINC000644816748 397968442 /nfs/dbraw/zinc/96/84/42/397968442.db2.gz XLEYTQRXGDOROF-RYUDHWBXSA-N 2 1 248.330 0.436 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)CCn3ccnc3)[C@H]2C1 ZINC000644816746 397968486 /nfs/dbraw/zinc/96/84/86/397968486.db2.gz XLEYTQRXGDOROF-NEPJUHHUSA-N 2 1 248.330 0.436 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CC ZINC000054132966 397903303 /nfs/dbraw/zinc/90/33/03/397903303.db2.gz SOSFHJFTKIUKQD-ZJUUUORDSA-N 2 1 215.341 0.428 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000054132958 397903400 /nfs/dbraw/zinc/90/34/00/397903400.db2.gz HEOILELZAWIOEI-SECBINFHSA-N 2 1 215.341 0.428 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382965269 397911398 /nfs/dbraw/zinc/91/13/98/397911398.db2.gz PUVXNAKOQUIRLR-QWRGUYRKSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000649616237 397997994 /nfs/dbraw/zinc/99/79/94/397997994.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C[C@H]2CCC[N@@H+]2C)C1 ZINC000649616237 397997995 /nfs/dbraw/zinc/99/79/95/397997995.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 2 1 223.364 0.717 20 0 BCADMP C[NH+]1C[C@H]2[C@@H](CCN2C[C@H]2CCC[N@H+]2C)C1 ZINC000649616237 397997998 /nfs/dbraw/zinc/99/79/98/397997998.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 2 1 223.364 0.717 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953111 398010018 /nfs/dbraw/zinc/01/00/18/398010018.db2.gz BUIXWNYACCSGJX-KOLCDFICSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000383241722 398010355 /nfs/dbraw/zinc/01/03/55/398010355.db2.gz CVTWQQASOWNPTL-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000383241722 398010360 /nfs/dbraw/zinc/01/03/60/398010360.db2.gz CVTWQQASOWNPTL-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000383241722 398010362 /nfs/dbraw/zinc/01/03/62/398010362.db2.gz CVTWQQASOWNPTL-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000383241722 398010367 /nfs/dbraw/zinc/01/03/67/398010367.db2.gz CVTWQQASOWNPTL-QWHCGFSZSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048387 398066809 /nfs/dbraw/zinc/06/68/09/398066809.db2.gz OETKGIRHAMEJMW-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638189613 398078824 /nfs/dbraw/zinc/07/88/24/398078824.db2.gz DSUUJPJRDGZBCP-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C2 ZINC000116391119 398090178 /nfs/dbraw/zinc/09/01/78/398090178.db2.gz BGRQSJZIQHHKGG-GHMZBOCLSA-N 2 1 248.330 0.327 20 0 BCADMP C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000383992570 398054730 /nfs/dbraw/zinc/05/47/30/398054730.db2.gz UZUXNBUPIUIXIQ-MWLCHTKSSA-N 2 1 209.293 0.394 20 0 BCADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000383992570 398054732 /nfs/dbraw/zinc/05/47/32/398054732.db2.gz UZUXNBUPIUIXIQ-MWLCHTKSSA-N 2 1 209.293 0.394 20 0 BCADMP CC[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000314515519 398111195 /nfs/dbraw/zinc/11/11/95/398111195.db2.gz HCOXFZFLTZFPJR-UHFFFAOYSA-N 2 1 211.309 0.667 20 0 BCADMP CC[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000314515519 398111198 /nfs/dbraw/zinc/11/11/98/398111198.db2.gz HCOXFZFLTZFPJR-UHFFFAOYSA-N 2 1 211.309 0.667 20 0 BCADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000649212399 398130354 /nfs/dbraw/zinc/13/03/54/398130354.db2.gz NNIBZHHLISQYSQ-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000043497713 167047565 /nfs/dbraw/zinc/04/75/65/167047565.db2.gz BFXZPWWBCFNVOM-UHFFFAOYSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438678 173347355 /nfs/dbraw/zinc/34/73/55/173347355.db2.gz XQRVOPHSFSWGFJ-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122316221 167053258 /nfs/dbraw/zinc/05/32/58/167053258.db2.gz SBZJTQPYHQCEMM-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122316221 167053261 /nfs/dbraw/zinc/05/32/61/167053261.db2.gz SBZJTQPYHQCEMM-VHSXEESVSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000037480040 167100625 /nfs/dbraw/zinc/10/06/25/167100625.db2.gz MANNQWCTTLEJIJ-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP COC[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC000662275919 487529531 /nfs/dbraw/zinc/52/95/31/487529531.db2.gz FPBUJNBHJOQGSR-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1C[C@@H](C)N1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685580562 487558374 /nfs/dbraw/zinc/55/83/74/487558374.db2.gz RLXWSMMBSFLWLW-CKYFFXLPSA-N 2 1 212.337 0.924 20 0 BCADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)CN(C)C1CC1 ZINC000685580562 487558375 /nfs/dbraw/zinc/55/83/75/487558375.db2.gz RLXWSMMBSFLWLW-CKYFFXLPSA-N 2 1 212.337 0.924 20 0 BCADMP C[C@@H]([NH2+]CCCc1ncn(C)n1)[C@@H]1CCC[NH2+]1 ZINC000647800486 487566938 /nfs/dbraw/zinc/56/69/38/487566938.db2.gz CAWQXHBZCPGRSZ-MNOVXSKESA-N 2 1 237.351 0.478 20 0 BCADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420000 487574865 /nfs/dbraw/zinc/57/48/65/487574865.db2.gz ODKBSQFBBOBMTR-GHMZBOCLSA-N 2 1 229.368 0.960 20 0 BCADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420000 487574873 /nfs/dbraw/zinc/57/48/73/487574873.db2.gz ODKBSQFBBOBMTR-GHMZBOCLSA-N 2 1 229.368 0.960 20 0 BCADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000020420024 487575644 /nfs/dbraw/zinc/57/56/44/487575644.db2.gz VPJWXKPIRLZNCU-NXEZZACHSA-N 2 1 215.341 0.570 20 0 BCADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000020420024 487575650 /nfs/dbraw/zinc/57/56/50/487575650.db2.gz VPJWXKPIRLZNCU-NXEZZACHSA-N 2 1 215.341 0.570 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157800422 487578658 /nfs/dbraw/zinc/57/86/58/487578658.db2.gz RXSKOXKTZIQRGW-NWDGAFQWSA-N 2 1 237.347 0.481 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000082241614 487580996 /nfs/dbraw/zinc/58/09/96/487580996.db2.gz KZNYYFZAAXXEBY-VIFPVBQESA-N 2 1 213.325 0.324 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCC(C)(C)[NH3+])C1 ZINC000082244829 487581503 /nfs/dbraw/zinc/58/15/03/487581503.db2.gz CVCWMEVNVGPPSF-VIFPVBQESA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000496898572 533677135 /nfs/dbraw/zinc/67/71/35/533677135.db2.gz AHKGPOWDXYEUSC-WDEREUQCSA-N 2 1 241.335 0.416 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649671 487587961 /nfs/dbraw/zinc/58/79/61/487587961.db2.gz PMBYCKFYZHVNNI-NSHDSACASA-N 2 1 239.363 0.585 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000160268945 487596590 /nfs/dbraw/zinc/59/65/90/487596590.db2.gz LDTDRTAAYATPFB-LBPRGKRZSA-N 2 1 225.336 0.196 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000306078734 487606184 /nfs/dbraw/zinc/60/61/84/487606184.db2.gz BQRULUPVLZSYFV-LBPRGKRZSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662264488 409562385 /nfs/dbraw/zinc/56/23/85/409562385.db2.gz DORUCWICSIDDHN-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662264488 409562394 /nfs/dbraw/zinc/56/23/94/409562394.db2.gz DORUCWICSIDDHN-WDEREUQCSA-N 2 1 220.320 0.954 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662244614 409535433 /nfs/dbraw/zinc/53/54/33/409535433.db2.gz DVXCLIRUSCCRST-ZJUUUORDSA-N 2 1 234.290 0.952 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662244614 409535437 /nfs/dbraw/zinc/53/54/37/409535437.db2.gz DVXCLIRUSCCRST-ZJUUUORDSA-N 2 1 234.290 0.952 20 0 BCADMP C[C@](CN)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248025 409543488 /nfs/dbraw/zinc/54/34/88/409543488.db2.gz RARBYVWQOLUBFU-VXGBXAGGSA-N 2 1 239.363 0.224 20 0 BCADMP CC(C)CCOCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286514 409619111 /nfs/dbraw/zinc/61/91/11/409619111.db2.gz JBHFGTMZUZMVJL-UHFFFAOYSA-N 2 1 244.379 0.753 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000662277215 409589360 /nfs/dbraw/zinc/58/93/60/409589360.db2.gz NHELYNMRTXRVDH-VXGBXAGGSA-N 2 1 230.352 0.443 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)OC ZINC000662283079 409607536 /nfs/dbraw/zinc/60/75/36/409607536.db2.gz KJJLTYBDXCKJIM-VOAKCMCISA-N 2 1 244.379 0.953 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)C[NH2+]C(C)C ZINC000662393842 409695398 /nfs/dbraw/zinc/69/53/98/409695398.db2.gz LCLLPNCIGXELBY-UHFFFAOYSA-N 2 1 238.335 0.696 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC1(C)C ZINC000662330153 409643744 /nfs/dbraw/zinc/64/37/44/409643744.db2.gz AKKCXARYIXASSJ-JTQLQIEISA-N 2 1 200.326 0.940 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC1(C)C ZINC000662330154 409643900 /nfs/dbraw/zinc/64/39/00/409643900.db2.gz AKKCXARYIXASSJ-SNVBAGLBSA-N 2 1 200.326 0.940 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247078 409717947 /nfs/dbraw/zinc/71/79/47/409717947.db2.gz RMWCXGNHENURPC-TXEJJXNPSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662681592 409828448 /nfs/dbraw/zinc/82/84/48/409828448.db2.gz JFYVBDUTSQDVHI-GMTAPVOTSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619707 409790253 /nfs/dbraw/zinc/79/02/53/409790253.db2.gz NTZPUKMUPLZWRQ-VWYCJHECSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623655 409795701 /nfs/dbraw/zinc/79/57/01/409795701.db2.gz ZOGIWTWRAARMEV-GHMZBOCLSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110455 409815017 /nfs/dbraw/zinc/81/50/17/409815017.db2.gz JCXDKWQAFURGDC-NWDGAFQWSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000215297868 409908622 /nfs/dbraw/zinc/90/86/22/409908622.db2.gz UDJJRWIBLOXJGR-YPMHNXCESA-N 2 1 239.363 0.729 20 0 BCADMP COc1c(C)c[nH+]c(Cn2cc(C[NH3+])nn2)c1C ZINC000050224605 409930849 /nfs/dbraw/zinc/93/08/49/409930849.db2.gz MWOGNDZIVOPRDQ-UHFFFAOYSA-N 2 1 247.302 0.806 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839443 409948524 /nfs/dbraw/zinc/94/85/24/409948524.db2.gz QPRWLDURWSQYMO-TUAOUCFPSA-N 2 1 239.363 0.857 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673059 487613994 /nfs/dbraw/zinc/61/39/94/487613994.db2.gz IYBFLBZIVWCTJH-NEPJUHHUSA-N 3 1 209.337 0.281 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673059 487613997 /nfs/dbraw/zinc/61/39/97/487613997.db2.gz IYBFLBZIVWCTJH-NEPJUHHUSA-N 3 1 209.337 0.281 20 0 BCADMP CC[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176266 410151709 /nfs/dbraw/zinc/15/17/09/410151709.db2.gz OFJPOWDJAHSGJI-NSHDSACASA-N 2 1 229.368 0.818 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000653165631 410131322 /nfs/dbraw/zinc/13/13/22/410131322.db2.gz YVAZVMOLSCUHDL-UHFFFAOYSA-N 2 1 247.289 0.325 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)C1([NH3+])CCC1 ZINC000653176353 410152554 /nfs/dbraw/zinc/15/25/54/410152554.db2.gz RBNWUZGNESYLAL-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000309170558 410270181 /nfs/dbraw/zinc/27/01/81/410270181.db2.gz AFUMDKIOMGVQIX-QWRGUYRKSA-N 2 1 223.324 0.337 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000650710346 410339018 /nfs/dbraw/zinc/33/90/18/410339018.db2.gz NDRYZCGXGFCOKF-UHFFFAOYSA-N 2 1 237.351 0.727 20 0 BCADMP Cc1[nH]ncc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712453 410341778 /nfs/dbraw/zinc/34/17/78/410341778.db2.gz CYMIQWOEMNCXOX-UHFFFAOYSA-N 2 1 208.309 0.937 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714653 410347239 /nfs/dbraw/zinc/34/72/39/410347239.db2.gz WTVMWMWIXYPZMX-DDHJBXDOSA-N 2 1 212.337 0.938 20 0 BCADMP CCO[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000650714301 410347901 /nfs/dbraw/zinc/34/79/01/410347901.db2.gz YISRFVLYKVRVPH-GHMZBOCLSA-N 3 1 227.352 0.021 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000650714301 410347907 /nfs/dbraw/zinc/34/79/07/410347907.db2.gz YISRFVLYKVRVPH-GHMZBOCLSA-N 3 1 227.352 0.021 20 0 BCADMP C[C@@H](NCCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000650747664 410386680 /nfs/dbraw/zinc/38/66/80/410386680.db2.gz FKVWAQCYYNSSAQ-GHMZBOCLSA-N 2 1 211.353 0.846 20 0 BCADMP Nc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000381349248 410456952 /nfs/dbraw/zinc/45/69/52/410456952.db2.gz BEZNFJQXYPVBRQ-SECBINFHSA-N 2 1 206.293 0.275 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CC[N@H+]1C ZINC000132971231 410433252 /nfs/dbraw/zinc/43/32/52/410433252.db2.gz HQYFURLOBGHIJY-GHMZBOCLSA-N 2 1 239.363 0.857 20 0 BCADMP C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000132939710 410433303 /nfs/dbraw/zinc/43/33/03/410433303.db2.gz ZSVOJCIHJKFJLB-VHSXEESVSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248839 410731695 /nfs/dbraw/zinc/73/16/95/410731695.db2.gz DGASLIZPQNULPE-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665248839 410731700 /nfs/dbraw/zinc/73/17/00/410731700.db2.gz DGASLIZPQNULPE-QWRGUYRKSA-N 2 1 211.353 0.798 20 0 BCADMP c1ncn(CCC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000394304793 410785663 /nfs/dbraw/zinc/78/56/63/410785663.db2.gz UJILOGQBMQMXEC-UHFFFAOYSA-N 2 1 249.362 0.885 20 0 BCADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000655488820 410800944 /nfs/dbraw/zinc/80/09/44/410800944.db2.gz GOVXRBPOULKAPQ-DTORHVGOSA-N 2 1 249.305 0.427 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000040673664 410884970 /nfs/dbraw/zinc/88/49/70/410884970.db2.gz BZOBXUNJKXDMEC-CYBMUJFWSA-N 2 1 247.342 0.969 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673669 410886873 /nfs/dbraw/zinc/88/68/73/410886873.db2.gz ASYUBAGSSHUXMH-QWRGUYRKSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673670 410887013 /nfs/dbraw/zinc/88/70/13/410887013.db2.gz ASYUBAGSSHUXMH-WDEREUQCSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040673631 410882074 /nfs/dbraw/zinc/88/20/74/410882074.db2.gz OPXHNOPBKYTYEH-QWHCGFSZSA-N 2 1 247.342 0.897 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040673631 410882079 /nfs/dbraw/zinc/88/20/79/410882079.db2.gz OPXHNOPBKYTYEH-QWHCGFSZSA-N 2 1 247.342 0.897 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000665298069 410821195 /nfs/dbraw/zinc/82/11/95/410821195.db2.gz RELUJUZFKPUDRV-CMPLNLGQSA-N 2 1 230.352 0.626 20 0 BCADMP CC(C)NC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000042607983 167047706 /nfs/dbraw/zinc/04/77/06/167047706.db2.gz ZXMRVCBTGZXVJP-UHFFFAOYSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166214136 167054954 /nfs/dbraw/zinc/05/49/54/167054954.db2.gz GNHCSDNKAAYFSZ-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166214136 167054958 /nfs/dbraw/zinc/05/49/58/167054958.db2.gz GNHCSDNKAAYFSZ-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000358563603 167342035 /nfs/dbraw/zinc/34/20/35/167342035.db2.gz IKILNJKSSPECNH-LBPRGKRZSA-N 2 1 241.379 0.783 20 0 BCADMP CC(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308512112 167382493 /nfs/dbraw/zinc/38/24/93/167382493.db2.gz LJICAFWXPROJDH-MNOVXSKESA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000399658214 411053849 /nfs/dbraw/zinc/05/38/49/411053849.db2.gz OUCZUWMAPFYJRY-TUAOUCFPSA-N 2 1 241.379 0.674 20 0 BCADMP COC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300046076 411078835 /nfs/dbraw/zinc/07/88/35/411078835.db2.gz UDSSFFXUTSTPSU-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(CC)CO ZINC000653635652 411151924 /nfs/dbraw/zinc/15/19/24/411151924.db2.gz YBMKCIVMODACQG-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(CC)CO ZINC000653635652 411151929 /nfs/dbraw/zinc/15/19/29/411151929.db2.gz YBMKCIVMODACQG-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(CC)CO ZINC000653635652 411151931 /nfs/dbraw/zinc/15/19/31/411151931.db2.gz YBMKCIVMODACQG-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(CC)CO ZINC000653635652 411151938 /nfs/dbraw/zinc/15/19/38/411151938.db2.gz YBMKCIVMODACQG-QWHCGFSZSA-N 2 1 244.379 0.536 20 0 BCADMP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000651938721 411152309 /nfs/dbraw/zinc/15/23/09/411152309.db2.gz HTDWCSZGDUDVNU-JGZJWPJOSA-N 2 1 237.347 0.467 20 0 BCADMP C[N@H+](CCc1noc2ccccc21)C[C@H](O)C[NH3+] ZINC000655941103 411160511 /nfs/dbraw/zinc/16/05/11/411160511.db2.gz MEJVMVUPPWNAGZ-SNVBAGLBSA-N 2 1 249.314 0.622 20 0 BCADMP C[N@@H+](CCc1noc2ccccc21)C[C@H](O)C[NH3+] ZINC000655941103 411160513 /nfs/dbraw/zinc/16/05/13/411160513.db2.gz MEJVMVUPPWNAGZ-SNVBAGLBSA-N 2 1 249.314 0.622 20 0 BCADMP NC(=O)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000043493629 411118192 /nfs/dbraw/zinc/11/81/92/411118192.db2.gz IBECTTJGJWCPRH-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP NC(=O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000043493629 411118195 /nfs/dbraw/zinc/11/81/95/411118195.db2.gz IBECTTJGJWCPRH-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP CN(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401037937 411173621 /nfs/dbraw/zinc/17/36/21/411173621.db2.gz ZPBQFUHQCUZCRS-JHJVBQTASA-N 2 1 225.380 0.916 20 0 BCADMP CN(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401037940 411173644 /nfs/dbraw/zinc/17/36/44/411173644.db2.gz ZPBQFUHQCUZCRS-YNEHKIRRSA-N 2 1 225.380 0.916 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC1 ZINC000657973704 411183737 /nfs/dbraw/zinc/18/37/37/411183737.db2.gz HNOTXTODYDCPNL-NEPJUHHUSA-N 2 1 242.363 0.600 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC1 ZINC000657973704 411183738 /nfs/dbraw/zinc/18/37/38/411183738.db2.gz HNOTXTODYDCPNL-NEPJUHHUSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000656151922 411187386 /nfs/dbraw/zinc/18/73/86/411187386.db2.gz OXLSXUCBDVHVSS-DGCLKSJQSA-N 2 1 242.363 0.267 20 0 BCADMP CCN(C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151922 411187388 /nfs/dbraw/zinc/18/73/88/411187388.db2.gz OXLSXUCBDVHVSS-DGCLKSJQSA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCC1 ZINC000653695273 411187820 /nfs/dbraw/zinc/18/78/20/411187820.db2.gz HWDQBQNFSFCZRC-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCC1 ZINC000653695273 411187822 /nfs/dbraw/zinc/18/78/22/411187822.db2.gz HWDQBQNFSFCZRC-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CCC1 ZINC000653695273 411187825 /nfs/dbraw/zinc/18/78/25/411187825.db2.gz HWDQBQNFSFCZRC-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CCC1 ZINC000653695273 411187827 /nfs/dbraw/zinc/18/78/27/411187827.db2.gz HWDQBQNFSFCZRC-NSHDSACASA-N 2 1 230.352 0.146 20 0 BCADMP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757584 411189088 /nfs/dbraw/zinc/18/90/88/411189088.db2.gz JGVJRUIIHRIBGE-DGCLKSJQSA-N 2 1 242.363 0.864 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215603345 411189972 /nfs/dbraw/zinc/18/99/72/411189972.db2.gz GCNZZRDMHXBIRS-MNOVXSKESA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C1 ZINC000656193598 411198683 /nfs/dbraw/zinc/19/86/83/411198683.db2.gz OGHSECPBUUJNOP-HBNTYKKESA-N 2 1 249.362 0.260 20 0 BCADMP C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000652338643 411203893 /nfs/dbraw/zinc/20/38/93/411203893.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 2 1 243.395 0.230 20 0 BCADMP CCO[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652337232 411204111 /nfs/dbraw/zinc/20/41/11/411204111.db2.gz XIBLINHYYBRCLO-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)[C@@H]1CCC[NH2+]1 ZINC000656201159 411206544 /nfs/dbraw/zinc/20/65/44/411206544.db2.gz UBMDHEMSOPQDFW-DCAQKATOSA-N 2 1 249.362 0.403 20 0 BCADMP OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655682210 411223828 /nfs/dbraw/zinc/22/38/28/411223828.db2.gz BHNLUUPONBEVIJ-GFCCVEGCSA-N 2 1 228.336 0.212 20 0 BCADMP CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310217770 411224601 /nfs/dbraw/zinc/22/46/01/411224601.db2.gz FKTUCLGDWAUPAH-WCQYABFASA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310217770 411224604 /nfs/dbraw/zinc/22/46/04/411224604.db2.gz FKTUCLGDWAUPAH-WCQYABFASA-N 2 1 244.379 0.438 20 0 BCADMP COCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655684330 411225296 /nfs/dbraw/zinc/22/52/96/411225296.db2.gz OGGLYWPFJMPEJZ-CYBMUJFWSA-N 2 1 242.363 0.866 20 0 BCADMP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655785313 411226814 /nfs/dbraw/zinc/22/68/14/411226814.db2.gz LCYKFCIEQAMUJT-UTUOFQBUSA-N 2 1 230.352 0.456 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611188 411232396 /nfs/dbraw/zinc/23/23/96/411232396.db2.gz QLOQPJTZCJKRIY-JTQLQIEISA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000310422141 411236829 /nfs/dbraw/zinc/23/68/29/411236829.db2.gz QVIBSFNSRAYOOJ-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000310422141 411236830 /nfs/dbraw/zinc/23/68/30/411236830.db2.gz QVIBSFNSRAYOOJ-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000310422141 411236831 /nfs/dbraw/zinc/23/68/31/411236831.db2.gz QVIBSFNSRAYOOJ-QWHCGFSZSA-N 2 1 244.379 0.393 20 0 BCADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730593 411240742 /nfs/dbraw/zinc/24/07/42/411240742.db2.gz DNYMCBXLRSWARC-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CC1(C)C[N@@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000310551082 411242090 /nfs/dbraw/zinc/24/20/90/411242090.db2.gz GKYNDZJTTOPGBC-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]n1 ZINC000400958373 411166464 /nfs/dbraw/zinc/16/64/64/411166464.db2.gz IAQDIEQPOWKAHX-GMTAPVOTSA-N 2 1 220.320 0.887 20 0 BCADMP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]n1 ZINC000400958379 411166691 /nfs/dbraw/zinc/16/66/91/411166691.db2.gz IAQDIEQPOWKAHX-OUAUKWLOSA-N 2 1 220.320 0.887 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062858942 411327192 /nfs/dbraw/zinc/32/71/92/411327192.db2.gz XMLZEYSQEANKNE-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP OC/C=C\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658140230 411265131 /nfs/dbraw/zinc/26/51/31/411265131.db2.gz UOPMTGADBRJYDW-UPHRSURJSA-N 2 1 210.321 0.751 20 0 BCADMP CC(C)(C[NH3+])Cn1cc(C[NH+]2CCCC2)nn1 ZINC000656457776 411266225 /nfs/dbraw/zinc/26/62/25/411266225.db2.gz QUEFMPBJHPUBOJ-UHFFFAOYSA-N 2 1 237.351 0.859 20 0 BCADMP Cc1cncc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000402596415 411269907 /nfs/dbraw/zinc/26/99/07/411269907.db2.gz OLQLHRWNVOMMPB-TXEJJXNPSA-N 2 1 232.331 0.479 20 0 BCADMP Cc1cncc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000402596415 411269908 /nfs/dbraw/zinc/26/99/08/411269908.db2.gz OLQLHRWNVOMMPB-TXEJJXNPSA-N 2 1 232.331 0.479 20 0 BCADMP c1c(C[NH+]2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466920 411279608 /nfs/dbraw/zinc/27/96/08/411279608.db2.gz KTHDCPFNTIZADI-GFCCVEGCSA-N 2 1 235.335 0.798 20 0 BCADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383124 411280539 /nfs/dbraw/zinc/28/05/39/411280539.db2.gz YUQYMVZRTCEESC-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CC[NH2+]C1 ZINC000051889851 411285527 /nfs/dbraw/zinc/28/55/27/411285527.db2.gz OFAUXMSTCSCUOK-JTQLQIEISA-N 2 1 213.325 0.039 20 0 BCADMP CC(C)C[N@H+](CC(N)=O)C[C@H]1CC[NH2+]C1 ZINC000051889851 411285530 /nfs/dbraw/zinc/28/55/30/411285530.db2.gz OFAUXMSTCSCUOK-JTQLQIEISA-N 2 1 213.325 0.039 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062899030 411329539 /nfs/dbraw/zinc/32/95/39/411329539.db2.gz QFAGZUYHVPHUGP-CMPLNLGQSA-N 2 1 225.336 0.196 20 0 BCADMP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309416450 411307150 /nfs/dbraw/zinc/30/71/50/411307150.db2.gz KWCDSOTWQQRUAX-NEPJUHHUSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309416450 411307152 /nfs/dbraw/zinc/30/71/52/411307152.db2.gz KWCDSOTWQQRUAX-NEPJUHHUSA-N 2 1 230.352 0.048 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309724 /nfs/dbraw/zinc/30/97/24/411309724.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309727 /nfs/dbraw/zinc/30/97/27/411309727.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309730 /nfs/dbraw/zinc/30/97/30/411309730.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 2 1 244.379 0.533 20 0 BCADMP O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658349445 411351572 /nfs/dbraw/zinc/35/15/72/411351572.db2.gz XRSFEFMGBFSZAA-UMSPYCQHSA-N 2 1 210.321 0.726 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710566 411335964 /nfs/dbraw/zinc/33/59/64/411335964.db2.gz KAFOOKPBFRNRKS-NXEZZACHSA-N 2 1 236.306 0.934 20 0 BCADMP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000071150681 411336927 /nfs/dbraw/zinc/33/69/27/411336927.db2.gz GSTFKOVZYJIECA-UHFFFAOYSA-N 2 1 238.335 0.320 20 0 BCADMP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000071150681 411336929 /nfs/dbraw/zinc/33/69/29/411336929.db2.gz GSTFKOVZYJIECA-UHFFFAOYSA-N 2 1 238.335 0.320 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000656710666 411337423 /nfs/dbraw/zinc/33/74/23/411337423.db2.gz LGXWUHOQJNZEJX-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000656710666 411337425 /nfs/dbraw/zinc/33/74/25/411337425.db2.gz LGXWUHOQJNZEJX-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP O[C@@H](C[NH2+]CCC(F)(F)F)C[NH+]1CCCC1 ZINC000063100337 411341187 /nfs/dbraw/zinc/34/11/87/411341187.db2.gz MSVAOUHMUWPCBY-VIFPVBQESA-N 2 1 240.269 0.985 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227503 168294965 /nfs/dbraw/zinc/29/49/65/168294965.db2.gz WFILDPGXIYGOCM-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227503 168294966 /nfs/dbraw/zinc/29/49/66/168294966.db2.gz WFILDPGXIYGOCM-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638247988 411459029 /nfs/dbraw/zinc/45/90/29/411459029.db2.gz RFAHPHBKVVMIMA-VXGBXAGGSA-N 2 1 248.330 0.402 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000659493351 411459923 /nfs/dbraw/zinc/45/99/23/411459923.db2.gz FKXMBJCNVFYZLE-QWRGUYRKSA-N 2 1 244.383 0.622 20 0 BCADMP C[C@H]1CCC[N@@H+](CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413793 411394998 /nfs/dbraw/zinc/39/49/98/411394998.db2.gz ZPKQQIRBGZZKIB-RYUDHWBXSA-N 2 1 237.351 0.727 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413796 411395535 /nfs/dbraw/zinc/39/55/35/411395535.db2.gz ZPKQQIRBGZZKIB-VXGBXAGGSA-N 2 1 237.351 0.727 20 0 BCADMP C[NH2+]C[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000653049649 411402642 /nfs/dbraw/zinc/40/26/42/411402642.db2.gz XZKZYOWAIRNQEC-MRVPVSSYSA-N 2 1 235.278 0.038 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659449090 411416415 /nfs/dbraw/zinc/41/64/15/411416415.db2.gz QFMJAFIUNRMPPH-MNOVXSKESA-N 2 1 244.383 0.624 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659460320 411417383 /nfs/dbraw/zinc/41/73/83/411417383.db2.gz OAIJNDLMDOHOQH-GARJFASQSA-N 2 1 242.367 0.376 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515459 411426256 /nfs/dbraw/zinc/42/62/56/411426256.db2.gz UJDHXQOTHHVWMT-NSHDSACASA-N 2 1 242.367 0.379 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525416 411427921 /nfs/dbraw/zinc/42/79/21/411427921.db2.gz GEAQCFRXBCFXTK-GHMZBOCLSA-N 2 1 242.367 0.365 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659531868 411430226 /nfs/dbraw/zinc/43/02/26/411430226.db2.gz FBJMMYIZWQMCQP-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541086 411432449 /nfs/dbraw/zinc/43/24/49/411432449.db2.gz ZOJLCXDMIQTUSB-UWVGGRQHSA-N 2 1 228.340 0.117 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000654737317 411437160 /nfs/dbraw/zinc/43/71/60/411437160.db2.gz OAFPWVSDTGUINI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000654737317 411437161 /nfs/dbraw/zinc/43/71/61/411437161.db2.gz OAFPWVSDTGUINI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000654737317 411437162 /nfs/dbraw/zinc/43/71/62/411437162.db2.gz OAFPWVSDTGUINI-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000653614204 411441314 /nfs/dbraw/zinc/44/13/14/411441314.db2.gz SJHATKBRTRIGRU-LLVKDONJSA-N 2 1 212.337 0.831 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836130 411442471 /nfs/dbraw/zinc/44/24/71/411442471.db2.gz CPIRZLKZGHWYMD-QJPTWQEYSA-N 2 1 228.336 0.319 20 0 BCADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](C)CC1 ZINC000659624787 411443122 /nfs/dbraw/zinc/44/31/22/411443122.db2.gz UHVXBRZRMGRFFZ-LLVKDONJSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000637845515 411445154 /nfs/dbraw/zinc/44/51/54/411445154.db2.gz PUKWZXWSQKLEMN-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)CC(C)C ZINC000653621512 411446422 /nfs/dbraw/zinc/44/64/22/411446422.db2.gz QVRIHNFTYWKMCE-QWHCGFSZSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)CC(C)C ZINC000653621512 411446424 /nfs/dbraw/zinc/44/64/24/411446424.db2.gz QVRIHNFTYWKMCE-QWHCGFSZSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)CC(C)C ZINC000653621512 411446426 /nfs/dbraw/zinc/44/64/26/411446426.db2.gz QVRIHNFTYWKMCE-QWHCGFSZSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000653621512 411446427 /nfs/dbraw/zinc/44/64/27/411446427.db2.gz QVRIHNFTYWKMCE-QWHCGFSZSA-N 2 1 246.395 0.638 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000638536209 411472475 /nfs/dbraw/zinc/47/24/75/411472475.db2.gz HQTYLFSCPKIHEV-NXEZZACHSA-N 2 1 213.325 0.195 20 0 BCADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000659850349 411475476 /nfs/dbraw/zinc/47/54/76/411475476.db2.gz OKENFGSBLFIZHO-FVCCEPFGSA-N 2 1 240.347 0.189 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051751 411486904 /nfs/dbraw/zinc/48/69/04/411486904.db2.gz IMTOAHXKCIZDHO-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051751 411486908 /nfs/dbraw/zinc/48/69/08/411486908.db2.gz IMTOAHXKCIZDHO-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)(C)C[N@@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000309484571 411499241 /nfs/dbraw/zinc/49/92/41/411499241.db2.gz FSXYODLXEAXJNU-NSHDSACASA-N 2 1 214.353 0.936 20 0 BCADMP COC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000659947056 411507101 /nfs/dbraw/zinc/50/71/01/411507101.db2.gz JNUUQPXCHKVTJB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000659947056 411507103 /nfs/dbraw/zinc/50/71/03/411507103.db2.gz JNUUQPXCHKVTJB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000659947056 411507104 /nfs/dbraw/zinc/50/71/04/411507104.db2.gz JNUUQPXCHKVTJB-OLZOCXBDSA-N 2 1 244.379 0.921 20 0 BCADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438032 411510441 /nfs/dbraw/zinc/51/04/41/411510441.db2.gz YPWIEMVJIAPBIR-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438032 411510442 /nfs/dbraw/zinc/51/04/42/411510442.db2.gz YPWIEMVJIAPBIR-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521597 /nfs/dbraw/zinc/52/15/97/411521597.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521600 /nfs/dbraw/zinc/52/16/00/411521600.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521603 /nfs/dbraw/zinc/52/16/03/411521603.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521605 /nfs/dbraw/zinc/52/16/05/411521605.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 2 1 244.379 0.390 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633765 411465329 /nfs/dbraw/zinc/46/53/29/411465329.db2.gz HDMUCWVRHZOXBF-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250395428 170005876 /nfs/dbraw/zinc/00/58/76/170005876.db2.gz YOOMDHDSAXCHAO-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114218 170008123 /nfs/dbraw/zinc/00/81/23/170008123.db2.gz HVXCZUZAUXNRSU-WDEREUQCSA-N 2 1 225.336 0.054 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009872 /nfs/dbraw/zinc/00/98/72/170009872.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009874 /nfs/dbraw/zinc/00/98/74/170009874.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 3 1 243.395 0.766 20 0 BCADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009875 /nfs/dbraw/zinc/00/98/75/170009875.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 3 1 243.395 0.766 20 0 BCADMP CCN1CC[C@@H]([N@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009877 /nfs/dbraw/zinc/00/98/77/170009877.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CCN1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009878 /nfs/dbraw/zinc/00/98/78/170009878.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@@H+]1CC[C@@H](N(C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009879 /nfs/dbraw/zinc/00/98/79/170009879.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009881 /nfs/dbraw/zinc/00/98/81/170009881.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 1 243.395 0.766 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000362374780 170010122 /nfs/dbraw/zinc/01/01/22/170010122.db2.gz DEUNVUJSRBTOTE-VXGBXAGGSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000305869949 170013208 /nfs/dbraw/zinc/01/32/08/170013208.db2.gz OADRJXMSXKMKEU-QWHCGFSZSA-N 2 1 244.379 0.705 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000037484156 170015050 /nfs/dbraw/zinc/01/50/50/170015050.db2.gz VXSQCQOFBYSDOU-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000356990359 170015397 /nfs/dbraw/zinc/01/53/97/170015397.db2.gz MEBKSJMKTCOPSP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000356990359 170015399 /nfs/dbraw/zinc/01/53/99/170015399.db2.gz MEBKSJMKTCOPSP-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248504232 170015405 /nfs/dbraw/zinc/01/54/05/170015405.db2.gz VIHKGSMHYNZIMX-GARJFASQSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000362374779 170017266 /nfs/dbraw/zinc/01/72/66/170017266.db2.gz DEUNVUJSRBTOTE-RYUDHWBXSA-N 2 1 241.379 0.737 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000336751570 170017414 /nfs/dbraw/zinc/01/74/14/170017414.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336751570 170017415 /nfs/dbraw/zinc/01/74/15/170017415.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336751570 170017416 /nfs/dbraw/zinc/01/74/16/170017416.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000336751570 170017417 /nfs/dbraw/zinc/01/74/17/170017417.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000336751570 170017418 /nfs/dbraw/zinc/01/74/18/170017418.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018291 /nfs/dbraw/zinc/01/82/91/170018291.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018292 /nfs/dbraw/zinc/01/82/92/170018292.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018294 /nfs/dbraw/zinc/01/82/94/170018294.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCO)C[C@H]1C ZINC000336715758 170018898 /nfs/dbraw/zinc/01/88/98/170018898.db2.gz UVDWETZJQKKEFP-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCO)C[C@H]1C ZINC000336715758 170018899 /nfs/dbraw/zinc/01/88/99/170018899.db2.gz UVDWETZJQKKEFP-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCO)C[C@H]1C ZINC000336715758 170018900 /nfs/dbraw/zinc/01/89/00/170018900.db2.gz UVDWETZJQKKEFP-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335150625 170019621 /nfs/dbraw/zinc/01/96/21/170019621.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335150625 170019622 /nfs/dbraw/zinc/01/96/22/170019622.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335150625 170019623 /nfs/dbraw/zinc/01/96/23/170019623.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000358224509 170020193 /nfs/dbraw/zinc/02/01/93/170020193.db2.gz QXQUBJFMKFFZSZ-XQQFMLRXSA-N 2 1 242.363 0.722 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)NC)[C@H](C)C1 ZINC000358023786 170020844 /nfs/dbraw/zinc/02/08/44/170020844.db2.gz KZARXMJHNCAIMR-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC000119456061 170020851 /nfs/dbraw/zinc/02/08/51/170020851.db2.gz QCIBDOVOWLACPH-MXWKQRLJSA-N 2 1 200.326 0.687 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000358085592 170022668 /nfs/dbraw/zinc/02/26/68/170022668.db2.gz NTHMCWPTDSBWTI-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH3+] ZINC000357246085 170023627 /nfs/dbraw/zinc/02/36/27/170023627.db2.gz XBPALCYQHITJET-UTUOFQBUSA-N 2 1 239.363 0.666 20 0 BCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH3+] ZINC000236848514 170024364 /nfs/dbraw/zinc/02/43/64/170024364.db2.gz KHRVXEKXQPHHII-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331916444 170095704 /nfs/dbraw/zinc/09/57/04/170095704.db2.gz GIZUUBJGDYHIBA-GARJFASQSA-N 2 1 227.352 0.761 20 0 BCADMP COC[C@H](CC[NH2+]C1CC[NH+](C)CC1)OC ZINC000657551819 411548138 /nfs/dbraw/zinc/54/81/38/411548138.db2.gz BQWSKIOTBURAPG-LBPRGKRZSA-N 2 1 230.352 0.722 20 0 BCADMP CCOC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724277 170218620 /nfs/dbraw/zinc/21/86/20/170218620.db2.gz KXDVLSWITFRCIZ-JTQLQIEISA-N 2 1 214.309 0.610 20 0 BCADMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228078112 170272078 /nfs/dbraw/zinc/27/20/78/170272078.db2.gz FMWGIKWPQRPTRV-AXFHLTTASA-N 2 1 228.336 0.997 20 0 BCADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228078112 170272080 /nfs/dbraw/zinc/27/20/80/170272080.db2.gz FMWGIKWPQRPTRV-AXFHLTTASA-N 2 1 228.336 0.997 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000660281730 411564807 /nfs/dbraw/zinc/56/48/07/411564807.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000660281730 411564808 /nfs/dbraw/zinc/56/48/08/411564808.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000660281730 411564809 /nfs/dbraw/zinc/56/48/09/411564809.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000660281730 411564810 /nfs/dbraw/zinc/56/48/10/411564810.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CCOCC[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000082537240 170395001 /nfs/dbraw/zinc/39/50/01/170395001.db2.gz HMUVXMQOGNSZFG-UHFFFAOYSA-N 2 1 229.368 0.250 20 0 BCADMP COC[C@@](C)([NH3+])CNc1nc(C)[nH+]c(C)c1C ZINC000354411736 411644261 /nfs/dbraw/zinc/64/42/61/411644261.db2.gz ZJJOBPPINWUMEL-LBPRGKRZSA-N 2 1 238.335 1.178 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)CO ZINC000660609339 411606562 /nfs/dbraw/zinc/60/65/62/411606562.db2.gz USHNLWFNYHTIHM-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)CO ZINC000660609339 411606564 /nfs/dbraw/zinc/60/65/64/411606564.db2.gz USHNLWFNYHTIHM-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)CO ZINC000660609339 411606566 /nfs/dbraw/zinc/60/65/66/411606566.db2.gz USHNLWFNYHTIHM-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)CO ZINC000660609339 411606568 /nfs/dbraw/zinc/60/65/68/411606568.db2.gz USHNLWFNYHTIHM-NEPJUHHUSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657842077 411610680 /nfs/dbraw/zinc/61/06/80/411610680.db2.gz TUWHFBAHOBWZOI-NEPJUHHUSA-N 2 1 237.351 0.598 20 0 BCADMP CCNC(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652053 411613455 /nfs/dbraw/zinc/61/34/55/411613455.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657876353 411615400 /nfs/dbraw/zinc/61/54/00/411615400.db2.gz LLTUXHBFPMUWBX-RYUDHWBXSA-N 2 1 237.351 0.598 20 0 BCADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492682 411671318 /nfs/dbraw/zinc/67/13/18/411671318.db2.gz AZNMAYDATAOPPR-XQQFMLRXSA-N 3 1 223.364 0.657 20 0 BCADMP [NH3+]CCC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663498757 411681161 /nfs/dbraw/zinc/68/11/61/411681161.db2.gz TYQSBRHEEJMWMY-QWHCGFSZSA-N 2 1 223.364 0.657 20 0 BCADMP [NH3+]Cc1ccc(CNC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663498405 411682442 /nfs/dbraw/zinc/68/24/42/411682442.db2.gz SLVZFTPVRSNXMP-KBPBESRZSA-N 2 1 231.343 0.844 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506114 411688222 /nfs/dbraw/zinc/68/82/22/411688222.db2.gz QAQXCQQVGGFYBU-DDHJBXDOSA-N 2 1 229.343 0.746 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663503577 411688438 /nfs/dbraw/zinc/68/84/38/411688438.db2.gz PTUUDMGUPUPFQM-TUAOUCFPSA-N 3 1 211.353 0.559 20 0 BCADMP Cc1ccc(NCCC[NH2+][C@@H](C)[C@H](C)O)[nH+]c1 ZINC000567684590 411690226 /nfs/dbraw/zinc/69/02/26/411690226.db2.gz MIXDLIKRDZNLME-RYUDHWBXSA-N 2 1 237.347 1.551 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000663512051 411692727 /nfs/dbraw/zinc/69/27/27/411692727.db2.gz DWCPPEGRLUPPKY-UTUOFQBUSA-N 2 1 213.369 0.914 20 0 BCADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COCCO1 ZINC000661610083 411815858 /nfs/dbraw/zinc/81/58/58/411815858.db2.gz DLJKLOHHTACTMZ-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COCCO1 ZINC000661610083 411815861 /nfs/dbraw/zinc/81/58/61/411815861.db2.gz DLJKLOHHTACTMZ-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1COCCO1 ZINC000661610083 411815864 /nfs/dbraw/zinc/81/58/64/411815864.db2.gz DLJKLOHHTACTMZ-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1COCCO1 ZINC000661610083 411815868 /nfs/dbraw/zinc/81/58/68/411815868.db2.gz DLJKLOHHTACTMZ-STQMWFEESA-N 2 1 242.363 0.818 20 0 BCADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(N)nc1 ZINC000647548033 411862602 /nfs/dbraw/zinc/86/26/02/411862602.db2.gz SGTIFAMZGIYWBV-JTQLQIEISA-N 2 1 222.336 1.127 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647548033 411862606 /nfs/dbraw/zinc/86/26/06/411862606.db2.gz SGTIFAMZGIYWBV-JTQLQIEISA-N 2 1 222.336 1.127 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(N)s1 ZINC000629652772 411900539 /nfs/dbraw/zinc/90/05/39/411900539.db2.gz DXNBZKVSWUKHBT-UHFFFAOYSA-N 2 1 244.364 0.393 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000647988427 411901783 /nfs/dbraw/zinc/90/17/83/411901783.db2.gz HZXVPLSEFZYEMT-LLVKDONJSA-N 2 1 249.362 0.848 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000647988427 411901785 /nfs/dbraw/zinc/90/17/85/411901785.db2.gz HZXVPLSEFZYEMT-LLVKDONJSA-N 2 1 249.362 0.848 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N)nc1 ZINC000629653595 411902047 /nfs/dbraw/zinc/90/20/47/411902047.db2.gz KKAREBUMUKEYBP-UHFFFAOYSA-N 2 1 238.335 0.332 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647496294 411908959 /nfs/dbraw/zinc/90/89/59/411908959.db2.gz FAACIIMNDNIRGH-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647496294 411908965 /nfs/dbraw/zinc/90/89/65/411908965.db2.gz FAACIIMNDNIRGH-KOLCDFICSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)nc2)CC[NH2+]1 ZINC000647547093 411913161 /nfs/dbraw/zinc/91/31/61/411913161.db2.gz NLWPGOZMGHVLGO-KOLCDFICSA-N 2 1 220.320 0.894 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000420407252 411929666 /nfs/dbraw/zinc/92/96/66/411929666.db2.gz OHYBCOGDFGEDGZ-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cnc(N)s2)C[C@@H]1C[NH3+] ZINC000415121389 411930664 /nfs/dbraw/zinc/93/06/64/411930664.db2.gz GZKOTZGVOFPUCS-IUCAKERBSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cnc(N)s2)C[C@@H]1C[NH3+] ZINC000415121389 411930672 /nfs/dbraw/zinc/93/06/72/411930672.db2.gz GZKOTZGVOFPUCS-IUCAKERBSA-N 2 1 240.376 1.142 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000566244397 411932019 /nfs/dbraw/zinc/93/20/19/411932019.db2.gz NCQKKSOPKHURBL-GXSJLCMTSA-N 2 1 220.320 0.833 20 0 BCADMP C[N@@H+](CCOCC[NH3+])Cc1ccnc(N)c1 ZINC000629578097 411873894 /nfs/dbraw/zinc/87/38/94/411873894.db2.gz MDYXYXZKBXKYEG-UHFFFAOYSA-N 2 1 224.308 0.071 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766692 411875308 /nfs/dbraw/zinc/87/53/08/411875308.db2.gz HLSUSKYSHFYYSE-JHJVBQTASA-N 2 1 244.379 0.533 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767803 411878730 /nfs/dbraw/zinc/87/87/30/411878730.db2.gz RINXHIPZLDOBFS-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767803 411878733 /nfs/dbraw/zinc/87/87/33/411878733.db2.gz RINXHIPZLDOBFS-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767803 411878736 /nfs/dbraw/zinc/87/87/36/411878736.db2.gz RINXHIPZLDOBFS-QJPTWQEYSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@H+](Cc1ccc(N)nc1)C1CC([NH3+])C1 ZINC000647544858 411880705 /nfs/dbraw/zinc/88/07/05/411880705.db2.gz LUBOGZKNXFPNFO-UHFFFAOYSA-N 2 1 206.293 0.585 20 0 BCADMP C[N@@H+](Cc1ccc(N)nc1)C1CC([NH3+])C1 ZINC000647544858 411880710 /nfs/dbraw/zinc/88/07/10/411880710.db2.gz LUBOGZKNXFPNFO-UHFFFAOYSA-N 2 1 206.293 0.585 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000567471939 411884309 /nfs/dbraw/zinc/88/43/09/411884309.db2.gz BGIMOSNHGBPREL-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827025 170861464 /nfs/dbraw/zinc/86/14/64/170861464.db2.gz NZTPOASDDFSBCD-SNVBAGLBSA-N 2 1 211.309 0.030 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001900 /nfs/dbraw/zinc/00/19/00/412001900.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001902 /nfs/dbraw/zinc/00/19/02/412001902.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001906 /nfs/dbraw/zinc/00/19/06/412001906.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 2 1 244.379 0.249 20 0 BCADMP O[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000662153784 412008200 /nfs/dbraw/zinc/00/82/00/412008200.db2.gz CBZPJRRJKVGFMS-ZDUSSCGKSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150105 412009906 /nfs/dbraw/zinc/00/99/06/412009906.db2.gz UDESQOJSHRDGSA-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150105 412009908 /nfs/dbraw/zinc/00/99/08/412009908.db2.gz UDESQOJSHRDGSA-AAEUAGOBSA-N 2 1 242.363 0.288 20 0 BCADMP Nc1ccc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000647547086 411954801 /nfs/dbraw/zinc/95/48/01/411954801.db2.gz MXEDSQGLDQFKFM-UHFFFAOYSA-N 2 1 206.293 0.635 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)C[NH2+]C(C)C ZINC000220047075 412029781 /nfs/dbraw/zinc/02/97/81/412029781.db2.gz OBFHUVHQSXTQSI-UHFFFAOYSA-N 2 1 229.368 0.833 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000662237355 412033691 /nfs/dbraw/zinc/03/36/91/412033691.db2.gz IRUBEDBJPYGXBO-VXGBXAGGSA-N 2 1 230.352 0.579 20 0 BCADMP COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])OC ZINC000662244069 412039559 /nfs/dbraw/zinc/03/95/59/412039559.db2.gz GEQNHQCXQFRMKQ-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])OC ZINC000662244069 412039561 /nfs/dbraw/zinc/03/95/61/412039561.db2.gz GEQNHQCXQFRMKQ-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662244654 412041220 /nfs/dbraw/zinc/04/12/20/412041220.db2.gz FADJDAZFYJQDRW-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662244654 412041222 /nfs/dbraw/zinc/04/12/22/412041222.db2.gz FADJDAZFYJQDRW-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662245078 412041597 /nfs/dbraw/zinc/04/15/97/412041597.db2.gz MYPDJRRCWGGQLT-TUAOUCFPSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662246418 412043844 /nfs/dbraw/zinc/04/38/44/412043844.db2.gz RTXGKQTZSMIMQP-TUAOUCFPSA-N 2 1 239.363 0.666 20 0 BCADMP COCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248948 412045911 /nfs/dbraw/zinc/04/59/11/412045911.db2.gz MFXSHFPHKPVIFI-SNVBAGLBSA-N 2 1 214.309 0.086 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249705 412046359 /nfs/dbraw/zinc/04/63/59/412046359.db2.gz YHVVGQLVYFWPAE-NEPJUHHUSA-N 2 1 240.347 0.618 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000662249428 412047246 /nfs/dbraw/zinc/04/72/46/412047246.db2.gz NKSROFQFLVWHMF-TUAOUCFPSA-N 2 1 240.347 0.617 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)O1 ZINC000662249428 412047249 /nfs/dbraw/zinc/04/72/49/412047249.db2.gz NKSROFQFLVWHMF-TUAOUCFPSA-N 2 1 240.347 0.617 20 0 BCADMP CC1(C)C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662251592 412049827 /nfs/dbraw/zinc/04/98/27/412049827.db2.gz FZNMNHOTPZAYFK-LLVKDONJSA-N 2 1 240.347 0.618 20 0 BCADMP CC1(C)C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662251592 412049830 /nfs/dbraw/zinc/04/98/30/412049830.db2.gz FZNMNHOTPZAYFK-LLVKDONJSA-N 2 1 240.347 0.618 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256288 412051514 /nfs/dbraw/zinc/05/15/14/412051514.db2.gz KIRRKGFGAPJUTR-NSHDSACASA-N 2 1 228.336 0.212 20 0 BCADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259242 412053037 /nfs/dbraw/zinc/05/30/37/412053037.db2.gz SRJQMGODKALNDH-NEPJUHHUSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259244 412053786 /nfs/dbraw/zinc/05/37/86/412053786.db2.gz SRJQMGODKALNDH-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)OC ZINC000662265836 412057364 /nfs/dbraw/zinc/05/73/64/412057364.db2.gz JDGOFYFVTZNIDP-ZDEQEGDKSA-N 2 1 242.363 0.707 20 0 BCADMP CC[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662270117 412061203 /nfs/dbraw/zinc/06/12/03/412061203.db2.gz IJOGDHAFHOSHRO-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662270111 412061251 /nfs/dbraw/zinc/06/12/51/412061251.db2.gz IJOGDHAFHOSHRO-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP COC[C@@H](C[N@H+](C)[C@H](CN)C1CC1)OC ZINC000662272302 412063801 /nfs/dbraw/zinc/06/38/01/412063801.db2.gz DPCYJICPMMPUCN-GHMZBOCLSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@@H+](C)[C@H](CN)C1CC1)OC ZINC000662272302 412063806 /nfs/dbraw/zinc/06/38/06/412063806.db2.gz DPCYJICPMMPUCN-GHMZBOCLSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)OC ZINC000662272302 412063810 /nfs/dbraw/zinc/06/38/10/412063810.db2.gz DPCYJICPMMPUCN-GHMZBOCLSA-N 2 1 216.325 0.317 20 0 BCADMP COC[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)OC ZINC000662272302 412063812 /nfs/dbraw/zinc/06/38/12/412063812.db2.gz DPCYJICPMMPUCN-GHMZBOCLSA-N 2 1 216.325 0.317 20 0 BCADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000370767545 171100422 /nfs/dbraw/zinc/10/04/22/171100422.db2.gz VBWBZBCTJAYUKF-TUAOUCFPSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C ZINC000249626302 171100565 /nfs/dbraw/zinc/10/05/65/171100565.db2.gz UCHSGKKDRQIREP-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC[C@@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482603 171106454 /nfs/dbraw/zinc/10/64/54/171106454.db2.gz CDQAOFTZYVEVBU-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CNCCO1 ZINC000662273200 412065894 /nfs/dbraw/zinc/06/58/94/412065894.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 2 1 227.352 0.178 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CNCCO1 ZINC000662273200 412065898 /nfs/dbraw/zinc/06/58/98/412065898.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 2 1 227.352 0.178 20 0 BCADMP CN1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662273447 412066342 /nfs/dbraw/zinc/06/63/42/412066342.db2.gz MKPDNWSELOBCJJ-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP CN1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662273447 412066345 /nfs/dbraw/zinc/06/63/45/412066345.db2.gz MKPDNWSELOBCJJ-WOPDTQHZSA-N 2 1 237.347 0.291 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000353513202 171145951 /nfs/dbraw/zinc/14/59/51/171145951.db2.gz KRIJDTBLTZJGFI-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CO[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000662276904 412068758 /nfs/dbraw/zinc/06/87/58/412068758.db2.gz NDEVHCMDURRTPB-QWHCGFSZSA-N 2 1 244.379 0.833 20 0 BCADMP CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000662280513 412070806 /nfs/dbraw/zinc/07/08/06/412070806.db2.gz FTVKAAYNXCBCIA-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000662280513 412070808 /nfs/dbraw/zinc/07/08/08/412070808.db2.gz FTVKAAYNXCBCIA-SRVKXCTJSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC000309843564 171175163 /nfs/dbraw/zinc/17/51/63/171175163.db2.gz FIYJHYBVUWFGMK-ZYHUDNBSSA-N 2 1 227.352 0.714 20 0 BCADMP CC[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC000309843564 171175167 /nfs/dbraw/zinc/17/51/67/171175167.db2.gz FIYJHYBVUWFGMK-ZYHUDNBSSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](O)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285169 412076871 /nfs/dbraw/zinc/07/68/71/412076871.db2.gz YMWBPXUKUIJUJC-ZYHUDNBSSA-N 2 1 240.347 0.353 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000356873017 171223951 /nfs/dbraw/zinc/22/39/51/171223951.db2.gz JZCGHJOQKREARC-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000356873017 171223952 /nfs/dbraw/zinc/22/39/52/171223952.db2.gz JZCGHJOQKREARC-IJLUTSLNSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CCC[N@@H+](CC)CC1)[NH+](C)C ZINC000363540127 171224274 /nfs/dbraw/zinc/22/42/74/171224274.db2.gz SQYMNNZTHAUUHS-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CC[C@H](C(=O)NCC[N@@H+](C)CCOC)[NH+](C)C ZINC000125093970 171228538 /nfs/dbraw/zinc/22/85/38/171228538.db2.gz DMSOCBQREOQBHX-LLVKDONJSA-N 2 1 245.367 0.021 20 0 BCADMP CC[C@H](C(=O)NCCn1cc[nH+]c1C)[NH+](C)C ZINC000268795565 171228952 /nfs/dbraw/zinc/22/89/52/171228952.db2.gz IBBHJRVASGCVKS-LLVKDONJSA-N 2 1 238.335 0.648 20 0 BCADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282402 412073320 /nfs/dbraw/zinc/07/33/20/412073320.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 2 1 241.379 0.280 20 0 BCADMP C[C@@H]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282402 412073322 /nfs/dbraw/zinc/07/33/22/412073322.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 2 1 241.379 0.280 20 0 BCADMP C[C@H]1C[N@H+](CCN(C)CC(C)(C)[NH3+])CCO1 ZINC000662294757 412082570 /nfs/dbraw/zinc/08/25/70/412082570.db2.gz MPAFHDKOROYGGA-NSHDSACASA-N 2 1 229.368 0.376 20 0 BCADMP C[C@H]1C[N@@H+](CCN(C)CC(C)(C)[NH3+])CCO1 ZINC000662294757 412082573 /nfs/dbraw/zinc/08/25/73/412082573.db2.gz MPAFHDKOROYGGA-NSHDSACASA-N 2 1 229.368 0.376 20 0 BCADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000339806891 171306412 /nfs/dbraw/zinc/30/64/12/171306412.db2.gz RRKMDILQQFZKEN-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000339806891 171306415 /nfs/dbraw/zinc/30/64/15/171306415.db2.gz RRKMDILQQFZKEN-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226396321 171306506 /nfs/dbraw/zinc/30/65/06/171306506.db2.gz WKQYEFOAZDTZFF-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130657919 171306741 /nfs/dbraw/zinc/30/67/41/171306741.db2.gz GKQTXFNTEYJZOW-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531372 171333596 /nfs/dbraw/zinc/33/35/96/171333596.db2.gz BGOUGRJEWZWRTF-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531372 171333598 /nfs/dbraw/zinc/33/35/98/171333598.db2.gz BGOUGRJEWZWRTF-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286920 412078417 /nfs/dbraw/zinc/07/84/17/412078417.db2.gz UANFPPHWAJGCSP-IJLUTSLNSA-N 2 1 240.347 0.353 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131514311 171334813 /nfs/dbraw/zinc/33/48/13/171334813.db2.gz GETTWJGLPJCIFQ-BJDJZHNGSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131514311 171334814 /nfs/dbraw/zinc/33/48/14/171334814.db2.gz GETTWJGLPJCIFQ-BJDJZHNGSA-N 2 1 241.379 0.959 20 0 BCADMP COC[C@H](C[N@@H+]1CC2CCC1(C[NH3+])CC2)OC ZINC000662284977 412078522 /nfs/dbraw/zinc/07/85/22/412078522.db2.gz SQDJLAUVQVOHBV-CPCZMJQVSA-N 2 1 242.363 0.851 20 0 BCADMP COC[C@H](C[N@H+]1CC2CCC1(C[NH3+])CC2)OC ZINC000662284977 412078527 /nfs/dbraw/zinc/07/85/27/412078527.db2.gz SQDJLAUVQVOHBV-CPCZMJQVSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291920 412080984 /nfs/dbraw/zinc/08/09/84/412080984.db2.gz ARPBGKGEYICAMS-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294547 412081659 /nfs/dbraw/zinc/08/16/59/412081659.db2.gz QRPNPGIUJCMVIC-LBPRGKRZSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827006 171393982 /nfs/dbraw/zinc/39/39/82/171393982.db2.gz ZJXJNZIIODZNPF-JQWIXIFHSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643464 171395236 /nfs/dbraw/zinc/39/52/36/171395236.db2.gz XNDBNJDIBYVZHK-SRVKXCTJSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726678 171396957 /nfs/dbraw/zinc/39/69/57/171396957.db2.gz DBBJGEUQUUHWJV-NHCYSSNCSA-N 2 1 239.363 0.713 20 0 BCADMP OCC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662299927 412086241 /nfs/dbraw/zinc/08/62/41/412086241.db2.gz ZWFFPWQJCUARKF-CYBMUJFWSA-N 2 1 241.379 0.129 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299201 412086930 /nfs/dbraw/zinc/08/69/30/412086930.db2.gz VEHPBQTYEDKCFH-QWRGUYRKSA-N 2 1 214.309 0.215 20 0 BCADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCO ZINC000662302929 412089319 /nfs/dbraw/zinc/08/93/19/412089319.db2.gz QMLUUTBUZRWVHJ-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316219 412093187 /nfs/dbraw/zinc/09/31/87/412093187.db2.gz XJJMBGCGENTCDZ-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@]12COC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312206 412094223 /nfs/dbraw/zinc/09/42/23/412094223.db2.gz XMPJXTAEXQJKFU-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662311481 412094606 /nfs/dbraw/zinc/09/46/06/412094606.db2.gz SSNQIYHEVOJCFI-SRVKXCTJSA-N 2 1 210.321 0.564 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314701 412095780 /nfs/dbraw/zinc/09/57/80/412095780.db2.gz AXTOXIAIBVVBOU-SRVKXCTJSA-N 2 1 210.321 0.564 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314702 412096043 /nfs/dbraw/zinc/09/60/43/412096043.db2.gz AXTOXIAIBVVBOU-TUAOUCFPSA-N 2 1 210.321 0.564 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318116 412097775 /nfs/dbraw/zinc/09/77/75/412097775.db2.gz WHFFJAZGSAGWSG-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP C(C[N@H+]1CC[C@H]2COC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317288 412098657 /nfs/dbraw/zinc/09/86/57/412098657.db2.gz OGCPUSWFOQVCHP-FRRDWIJNSA-N 2 1 224.348 0.954 20 0 BCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC000662318525 412098721 /nfs/dbraw/zinc/09/87/21/412098721.db2.gz AYLOEGDMQQKNGK-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP [NH3+]CCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662318200 412099107 /nfs/dbraw/zinc/09/91/07/412099107.db2.gz XLXOFDIUQBBOSX-LLVKDONJSA-N 2 1 225.336 0.280 20 0 BCADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC(C)(C)O)CCO1 ZINC000662322988 412099655 /nfs/dbraw/zinc/09/96/55/412099655.db2.gz NZXXQOQRMFIOMV-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662326176 412102830 /nfs/dbraw/zinc/10/28/30/412102830.db2.gz PZFSBPSYXJEJES-QJPTWQEYSA-N 2 1 245.342 0.078 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000662379308 412131346 /nfs/dbraw/zinc/13/13/46/412131346.db2.gz VBGDMULTLJYTSW-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP COC[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)OC ZINC000665235317 412175167 /nfs/dbraw/zinc/17/51/67/412175167.db2.gz UEGXJWWYCAAKHZ-SDDRHHMPSA-N 2 1 230.352 0.626 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662458163 412182029 /nfs/dbraw/zinc/18/20/29/412182029.db2.gz XUIUVFZRNRUXIH-LLVKDONJSA-N 2 1 229.368 0.833 20 0 BCADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000665241611 412185385 /nfs/dbraw/zinc/18/53/85/412185385.db2.gz STSMDFUDXQTYRF-RNJOBUHISA-N 2 1 223.364 0.811 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000662474228 412188141 /nfs/dbraw/zinc/18/81/41/412188141.db2.gz VUPQQLQWZMNQFA-DCAQKATOSA-N 2 1 227.352 0.393 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662483474 412191194 /nfs/dbraw/zinc/19/11/94/412191194.db2.gz VLWVWEYYEGSOSX-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662525268 412204334 /nfs/dbraw/zinc/20/43/34/412204334.db2.gz GEHWKMWYUWVOIC-CMPLNLGQSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CC)CC1 ZINC000662523319 412204610 /nfs/dbraw/zinc/20/46/10/412204610.db2.gz LPDLRJCEBLALGR-JTQLQIEISA-N 2 1 213.325 0.149 20 0 BCADMP CC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665261653 412204661 /nfs/dbraw/zinc/20/46/61/412204661.db2.gz ISMGDEBDQAKIJV-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662539919 412208482 /nfs/dbraw/zinc/20/84/82/412208482.db2.gz OAMDPZQLNAEEHS-SCVCMEIPSA-N 2 1 239.363 0.726 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CCNc2cnccn2)CC[N@H+]1C ZINC000361980184 412149465 /nfs/dbraw/zinc/14/94/65/412149465.db2.gz HZBRUZUAGDHFTP-NEPJUHHUSA-N 2 1 249.362 0.961 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000630545192 412164567 /nfs/dbraw/zinc/16/45/67/412164567.db2.gz LPDKANWWQLFXKH-DTWKUNHWSA-N 2 1 221.308 0.705 20 0 BCADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCNC1=O ZINC000665229280 412167565 /nfs/dbraw/zinc/16/75/65/412167565.db2.gz UOPOVFSOTBAPJY-UTUOFQBUSA-N 2 1 239.363 0.775 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680667 412268869 /nfs/dbraw/zinc/26/88/69/412268869.db2.gz YCYQJHWXLXLUDY-QWKFWESOSA-N 2 1 237.347 0.420 20 0 BCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC1([NH3+])CC1 ZINC000662685838 412270675 /nfs/dbraw/zinc/27/06/75/412270675.db2.gz YUZSQCNMMJVMOX-NSHDSACASA-N 2 1 239.363 0.668 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC1([NH3+])CC1 ZINC000662685837 412271007 /nfs/dbraw/zinc/27/10/07/412271007.db2.gz YUZSQCNMMJVMOX-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000662686514 412271115 /nfs/dbraw/zinc/27/11/15/412271115.db2.gz GOUAWTHSDBZGHT-DDHJBXDOSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000662685636 412271181 /nfs/dbraw/zinc/27/11/81/412271181.db2.gz WOMLBBABENRCAI-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714508 412281384 /nfs/dbraw/zinc/28/13/84/412281384.db2.gz IWSUGQBQVVRXMS-IJLUTSLNSA-N 2 1 239.363 0.714 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000662719793 412283109 /nfs/dbraw/zinc/28/31/09/412283109.db2.gz KUGAUBRAMPJLTF-LLVKDONJSA-N 2 1 237.347 0.468 20 0 BCADMP COC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)C ZINC000665277496 412220680 /nfs/dbraw/zinc/22/06/80/412220680.db2.gz CRDFOYRLTCRZMR-CXQJBGSLSA-N 2 1 212.337 0.999 20 0 BCADMP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@H+]1C1CC1 ZINC000665277518 412220877 /nfs/dbraw/zinc/22/08/77/412220877.db2.gz DFDRRKNGBCCXRT-WDBLDGLGSA-N 2 1 235.375 0.953 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000662567444 412222836 /nfs/dbraw/zinc/22/28/36/412222836.db2.gz KAHOASNPFWOYFM-NSHDSACASA-N 2 1 231.315 0.144 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665283492 412229536 /nfs/dbraw/zinc/22/95/36/412229536.db2.gz OTHVHKQPKDQQPG-RWMBFGLXSA-N 2 1 243.395 0.716 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622307 412244323 /nfs/dbraw/zinc/24/43/23/412244323.db2.gz QKPUPFQIKBHSKI-NXEZZACHSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621721 412245125 /nfs/dbraw/zinc/24/51/25/412245125.db2.gz JIEYFDSVCKGGBE-ZJUUUORDSA-N 2 1 227.352 0.713 20 0 BCADMP CN(CC[NH3+])C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662817048 412309548 /nfs/dbraw/zinc/30/95/48/412309548.db2.gz ZPIFUNPGIYPXEB-SNVBAGLBSA-N 2 1 243.257 0.382 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837782 412316331 /nfs/dbraw/zinc/31/63/31/412316331.db2.gz KZICEJBNLOMQAC-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835667 412316990 /nfs/dbraw/zinc/31/69/90/412316990.db2.gz RJFCXXIHBMZABX-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662911873 412343344 /nfs/dbraw/zinc/34/33/44/412343344.db2.gz WSKGXKWLRBOQEV-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000665529667 412348391 /nfs/dbraw/zinc/34/83/91/412348391.db2.gz QQDNIHRSKBSJPE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000665529667 412348394 /nfs/dbraw/zinc/34/83/94/412348394.db2.gz QQDNIHRSKBSJPE-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000662968759 412359775 /nfs/dbraw/zinc/35/97/75/412359775.db2.gz WTOOEKUPKSRUBI-IVZWLZJFSA-N 2 1 213.325 0.051 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000662746805 412290157 /nfs/dbraw/zinc/29/01/57/412290157.db2.gz RSCMTRZIJKAIEY-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000435884542 412290968 /nfs/dbraw/zinc/29/09/68/412290968.db2.gz UFEXADZSDJZDDU-UHFFFAOYSA-N 2 1 249.362 0.962 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290754362 172026363 /nfs/dbraw/zinc/02/63/63/172026363.db2.gz JCROFPVILCQCLF-NSHDSACASA-N 2 1 223.320 0.901 20 0 BCADMP CCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290754362 172026366 /nfs/dbraw/zinc/02/63/66/172026366.db2.gz JCROFPVILCQCLF-NSHDSACASA-N 2 1 223.320 0.901 20 0 BCADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000111380631 172308838 /nfs/dbraw/zinc/30/88/38/172308838.db2.gz CBMWJEHROACJLZ-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000111380631 172308840 /nfs/dbraw/zinc/30/88/40/172308840.db2.gz CBMWJEHROACJLZ-GFCCVEGCSA-N 2 1 239.363 0.811 20 0 BCADMP CN(C(=O)NC[C@H]1CCC[N@H+]1C)C1CC([NH3+])C1 ZINC000333896876 172320229 /nfs/dbraw/zinc/32/02/29/172320229.db2.gz AWHRQLYQJFKOKD-HSOILSAZSA-N 2 1 240.351 0.212 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309395286 172359069 /nfs/dbraw/zinc/35/90/69/172359069.db2.gz STSRGIOOJSEEJT-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547754 172367860 /nfs/dbraw/zinc/36/78/60/172367860.db2.gz FKBXAKMHBWTDCR-HBNTYKKESA-N 2 1 225.336 0.134 20 0 BCADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCO ZINC000371300063 172529444 /nfs/dbraw/zinc/52/94/44/172529444.db2.gz MOHHNBGQQNZEAW-IJLUTSLNSA-N 2 1 228.336 0.162 20 0 BCADMP CN(C)C(=O)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000043448328 172992875 /nfs/dbraw/zinc/99/28/75/172992875.db2.gz DGYZRQYLLDUAIF-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH2+]CC1 ZINC000082654357 173008275 /nfs/dbraw/zinc/00/82/75/173008275.db2.gz FETVBEKOIIKHNV-LBPRGKRZSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020217845 173012275 /nfs/dbraw/zinc/01/22/75/173012275.db2.gz QTPYOFSGVOGFGN-ZDUSSCGKSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020217845 173012277 /nfs/dbraw/zinc/01/22/77/173012277.db2.gz QTPYOFSGVOGFGN-ZDUSSCGKSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000334930800 173015440 /nfs/dbraw/zinc/01/54/40/173015440.db2.gz OAMMFRTZXWFPGA-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000334930800 173015441 /nfs/dbraw/zinc/01/54/41/173015441.db2.gz OAMMFRTZXWFPGA-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000334930800 173015442 /nfs/dbraw/zinc/01/54/42/173015442.db2.gz OAMMFRTZXWFPGA-NSHDSACASA-N 2 1 225.336 0.102 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673648 173021486 /nfs/dbraw/zinc/02/14/86/173021486.db2.gz DMQAXSAXUNVKPW-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361567329 173027139 /nfs/dbraw/zinc/02/71/39/173027139.db2.gz ULOFPQZHDOMSEW-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361567329 173027140 /nfs/dbraw/zinc/02/71/40/173027140.db2.gz ULOFPQZHDOMSEW-YPMHNXCESA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393947 173029826 /nfs/dbraw/zinc/02/98/26/173029826.db2.gz QYAMNNVLVGAEPJ-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309221325 173030220 /nfs/dbraw/zinc/03/02/20/173030220.db2.gz YEAFOXKKCHNACM-HTQZYQBOSA-N 2 1 235.278 0.179 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934972 173030988 /nfs/dbraw/zinc/03/09/88/173030988.db2.gz JAGRBYYSZLMISQ-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000371262270 173033173 /nfs/dbraw/zinc/03/31/73/173033173.db2.gz JVWREWLLIIGHIJ-MNOVXSKESA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOCCO)C2)C1 ZINC000339432683 173038540 /nfs/dbraw/zinc/03/85/40/173038540.db2.gz KOIRCNPBCQZKDZ-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000339432683 173038541 /nfs/dbraw/zinc/03/85/41/173038541.db2.gz KOIRCNPBCQZKDZ-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000339432683 173038543 /nfs/dbraw/zinc/03/85/43/173038543.db2.gz KOIRCNPBCQZKDZ-CYBMUJFWSA-N 2 1 242.363 0.413 20 0 BCADMP C[N@@H+]1CCN(C(=O)CC[NH3+])[C@@H](c2ccccc2)C1 ZINC000019276421 173068036 /nfs/dbraw/zinc/06/80/36/173068036.db2.gz PBPPKVQDHOVQRW-CYBMUJFWSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CCN(C(=O)CC[NH3+])[C@@H](c2ccccc2)C1 ZINC000019276421 173068037 /nfs/dbraw/zinc/06/80/37/173068037.db2.gz PBPPKVQDHOVQRW-CYBMUJFWSA-N 2 1 247.342 0.851 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130063196 173114017 /nfs/dbraw/zinc/11/40/17/173114017.db2.gz JQOLLTTWHWBLSK-JTQLQIEISA-N 2 1 248.330 0.222 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000309444212 173138920 /nfs/dbraw/zinc/13/89/20/173138920.db2.gz JIFIUZJDJAQZLC-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000309444212 173138921 /nfs/dbraw/zinc/13/89/21/173138921.db2.gz JIFIUZJDJAQZLC-NWDGAFQWSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOCCO)C2)C1 ZINC000368312606 173139869 /nfs/dbraw/zinc/13/98/69/173139869.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 2 1 228.336 0.023 20 0 BCADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOCCO)C2)C1 ZINC000368312606 173139873 /nfs/dbraw/zinc/13/98/73/173139873.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 2 1 228.336 0.023 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000368312606 173139875 /nfs/dbraw/zinc/13/98/75/173139875.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 2 1 228.336 0.023 20 0 BCADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000368312606 173139876 /nfs/dbraw/zinc/13/98/76/173139876.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 2 1 228.336 0.023 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893826 173145895 /nfs/dbraw/zinc/14/58/95/173145895.db2.gz ZVAOLTWXVQJDRG-ZYHUDNBSSA-N 2 1 225.336 0.054 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367897780 173155417 /nfs/dbraw/zinc/15/54/17/173155417.db2.gz CAAJFTOGWWDGDE-AGIUHOORSA-N 2 1 249.362 0.778 20 0 BCADMP Cn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367897780 173155418 /nfs/dbraw/zinc/15/54/18/173155418.db2.gz CAAJFTOGWWDGDE-AGIUHOORSA-N 2 1 249.362 0.778 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2Cc3ccccc3C2)C1 ZINC000336432152 173164389 /nfs/dbraw/zinc/16/43/89/173164389.db2.gz SVAQTYSAQOLGEE-HNNXBMFYSA-N 2 1 246.354 0.810 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]C2Cc3ccccc3C2)C1 ZINC000336432152 173164391 /nfs/dbraw/zinc/16/43/91/173164391.db2.gz SVAQTYSAQOLGEE-HNNXBMFYSA-N 2 1 246.354 0.810 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308932557 173165422 /nfs/dbraw/zinc/16/54/22/173165422.db2.gz JXFIIESVSAOLKL-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308932557 173165424 /nfs/dbraw/zinc/16/54/24/173165424.db2.gz JXFIIESVSAOLKL-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C2C[NH2+]C2)C1 ZINC000371707858 173202570 /nfs/dbraw/zinc/20/25/70/173202570.db2.gz DKUYDOXVPRJJNS-CYBMUJFWSA-N 2 1 245.326 0.509 20 0 BCADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C2C[NH2+]C2)C1 ZINC000371707858 173202571 /nfs/dbraw/zinc/20/25/71/173202571.db2.gz DKUYDOXVPRJJNS-CYBMUJFWSA-N 2 1 245.326 0.509 20 0 BCADMP CNC(=O)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000341865023 173296983 /nfs/dbraw/zinc/29/69/83/173296983.db2.gz DBPPLBNOBZZWDS-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493593 173297943 /nfs/dbraw/zinc/29/79/43/173297943.db2.gz LGGGKUOWSRGQOQ-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493593 173297944 /nfs/dbraw/zinc/29/79/44/173297944.db2.gz LGGGKUOWSRGQOQ-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250386472 173298624 /nfs/dbraw/zinc/29/86/24/173298624.db2.gz NTYSISXMQXHZIY-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250386472 173298625 /nfs/dbraw/zinc/29/86/25/173298625.db2.gz NTYSISXMQXHZIY-QWRGUYRKSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000183167022 173306980 /nfs/dbraw/zinc/30/69/80/173306980.db2.gz JXQKMPZXBGEBAO-LLVKDONJSA-N 2 1 236.319 0.484 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371263361 173326543 /nfs/dbraw/zinc/32/65/43/173326543.db2.gz XWAGAMMZCPNGCH-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178847724 173326630 /nfs/dbraw/zinc/32/66/30/173326630.db2.gz SQTXBKOTXPXVSC-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771176 173327818 /nfs/dbraw/zinc/32/78/18/173327818.db2.gz GCUYCUIBEUDIMM-SRVKXCTJSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000237238473 173329940 /nfs/dbraw/zinc/32/99/40/173329940.db2.gz KKBPYVYASSJUJX-LLVKDONJSA-N 2 1 227.352 0.300 20 0 BCADMP C[N@@H+](CCC[NH3+])CCO[C@@H]1CC1(F)F ZINC000662246872 487626456 /nfs/dbraw/zinc/62/64/56/487626456.db2.gz UOYGMZYFLDCGDJ-MRVPVSSYSA-N 2 1 208.252 0.691 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000043605142 173339452 /nfs/dbraw/zinc/33/94/52/173339452.db2.gz IPOZXPVZHVNMNT-NSHDSACASA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000043605141 173339618 /nfs/dbraw/zinc/33/96/18/173339618.db2.gz IPOZXPVZHVNMNT-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[NH2+]CCCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000237114627 173342805 /nfs/dbraw/zinc/34/28/05/173342805.db2.gz JUOZUTDKRJLPMV-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000082544478 173346079 /nfs/dbraw/zinc/34/60/79/173346079.db2.gz BJBATGBHKMQRQB-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000336741007 173347227 /nfs/dbraw/zinc/34/72/27/173347227.db2.gz MVIRLMNVGFWWBC-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000336741007 173347228 /nfs/dbraw/zinc/34/72/28/173347228.db2.gz MVIRLMNVGFWWBC-SRVKXCTJSA-N 2 1 211.353 0.655 20 0 BCADMP C[NH2+]CCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357085427 173347435 /nfs/dbraw/zinc/34/74/35/173347435.db2.gz SVCSRFKMBMVNOI-ZDUSSCGKSA-N 2 1 225.380 0.917 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000309639958 173347508 /nfs/dbraw/zinc/34/75/08/173347508.db2.gz OHFTUKAVGLCKLN-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC000226705468 173368336 /nfs/dbraw/zinc/36/83/36/173368336.db2.gz PHXWYSLJSOAZLF-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000053030922 173369602 /nfs/dbraw/zinc/36/96/02/173369602.db2.gz ABDUDCCQWKGKOF-ZDUSSCGKSA-N 2 1 241.379 0.250 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251148090 173374722 /nfs/dbraw/zinc/37/47/22/173374722.db2.gz XTULJBRPJQIWNS-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000234395919 173381398 /nfs/dbraw/zinc/38/13/98/173381398.db2.gz BTGLCLMIZDFQNZ-SECBINFHSA-N 2 1 222.279 0.809 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000234395919 173381399 /nfs/dbraw/zinc/38/13/99/173381399.db2.gz BTGLCLMIZDFQNZ-SECBINFHSA-N 2 1 222.279 0.809 20 0 BCADMP COC1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358226210 174022733 /nfs/dbraw/zinc/02/27/33/174022733.db2.gz CUIGYXSHOLKMDJ-WXRRBKDZSA-N 2 1 242.363 0.600 20 0 BCADMP COC1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358226210 174022735 /nfs/dbraw/zinc/02/27/35/174022735.db2.gz CUIGYXSHOLKMDJ-WXRRBKDZSA-N 2 1 242.363 0.600 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336724992 174073036 /nfs/dbraw/zinc/07/30/36/174073036.db2.gz BMJUYJLRXVGQAI-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336724992 174073039 /nfs/dbraw/zinc/07/30/39/174073039.db2.gz BMJUYJLRXVGQAI-LBPRGKRZSA-N 2 1 230.352 0.315 20 0 BCADMP COCC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336716434 174077970 /nfs/dbraw/zinc/07/79/70/174077970.db2.gz QBQWYTWRMFSTTR-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336716434 174077965 /nfs/dbraw/zinc/07/79/65/174077965.db2.gz QBQWYTWRMFSTTR-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336716434 174077967 /nfs/dbraw/zinc/07/79/67/174077967.db2.gz QBQWYTWRMFSTTR-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336716434 174077968 /nfs/dbraw/zinc/07/79/68/174077968.db2.gz QBQWYTWRMFSTTR-GFCCVEGCSA-N 2 1 244.379 0.798 20 0 BCADMP COCC(C)(C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309451110 174081798 /nfs/dbraw/zinc/08/17/98/174081798.db2.gz PYSIFDWSNIRUAQ-NSHDSACASA-N 2 1 230.352 0.456 20 0 BCADMP COCC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309451110 174081801 /nfs/dbraw/zinc/08/18/01/174081801.db2.gz PYSIFDWSNIRUAQ-NSHDSACASA-N 2 1 230.352 0.456 20 0 BCADMP COCC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309451110 174081802 /nfs/dbraw/zinc/08/18/02/174081802.db2.gz PYSIFDWSNIRUAQ-NSHDSACASA-N 2 1 230.352 0.456 20 0 BCADMP COCCC[N@H+](CCO)CC(C)(C)[NH3+] ZINC000336762220 174224194 /nfs/dbraw/zinc/22/41/94/174224194.db2.gz NZPNMVWGJHRIHF-UHFFFAOYSA-N 2 1 204.314 0.055 20 0 BCADMP COCCC[N@@H+](CCO)CC(C)(C)[NH3+] ZINC000336762220 174224195 /nfs/dbraw/zinc/22/41/95/174224195.db2.gz NZPNMVWGJHRIHF-UHFFFAOYSA-N 2 1 204.314 0.055 20 0 BCADMP COCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309042741 174260417 /nfs/dbraw/zinc/26/04/17/174260417.db2.gz MEWRIQGJXGORHA-GHMZBOCLSA-N 2 1 218.341 0.314 20 0 BCADMP COCC[NH+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000062911594 174296120 /nfs/dbraw/zinc/29/61/20/174296120.db2.gz BEHVVLQODGUSFE-GFCCVEGCSA-N 2 1 230.352 0.581 20 0 BCADMP COCC[NH+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911593 174296307 /nfs/dbraw/zinc/29/63/07/174296307.db2.gz BEHVVLQODGUSFE-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP COCCOCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070026689 174353501 /nfs/dbraw/zinc/35/35/01/174353501.db2.gz VPBQYZYYLYLHDU-NWDGAFQWSA-N 2 1 230.352 0.709 20 0 BCADMP COCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251530811 174355186 /nfs/dbraw/zinc/35/51/86/174355186.db2.gz AIJDHQCDPHCIMZ-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336762271 174382755 /nfs/dbraw/zinc/38/27/55/174382755.db2.gz NNKSVIDSBZJBEK-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336762271 174382756 /nfs/dbraw/zinc/38/27/56/174382756.db2.gz NNKSVIDSBZJBEK-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP COCC[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305157417 174383450 /nfs/dbraw/zinc/38/34/50/174383450.db2.gz WCHAEDYLKOUDRT-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP COCC[C@@H]1COCC[N@H+]1CCn1ccnc1 ZINC000291254756 174399121 /nfs/dbraw/zinc/39/91/21/174399121.db2.gz OEIGWMRNPNNWQH-GFCCVEGCSA-N 2 1 239.319 0.620 20 0 BCADMP COCC[C@@H]1COCCN1CCn1ccnc1 ZINC000291254756 174399122 /nfs/dbraw/zinc/39/91/22/174399122.db2.gz OEIGWMRNPNNWQH-GFCCVEGCSA-N 2 1 239.319 0.620 20 0 BCADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])C2)c1 ZINC000125985859 174971038 /nfs/dbraw/zinc/97/10/38/174971038.db2.gz UOIXTMIAVMRRPL-JTQLQIEISA-N 2 1 221.304 0.932 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000383502758 487631777 /nfs/dbraw/zinc/63/17/77/487631777.db2.gz FNXPCZYVQXSRED-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000383502758 487631783 /nfs/dbraw/zinc/63/17/83/487631783.db2.gz FNXPCZYVQXSRED-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000383502758 487631789 /nfs/dbraw/zinc/63/17/89/487631789.db2.gz FNXPCZYVQXSRED-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000383502758 487631794 /nfs/dbraw/zinc/63/17/94/487631794.db2.gz FNXPCZYVQXSRED-STQMWFEESA-N 2 1 244.379 0.798 20 0 BCADMP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCCC1 ZINC000668297494 487632929 /nfs/dbraw/zinc/63/29/29/487632929.db2.gz SWRRUVBOOPIZKS-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336675090 176171820 /nfs/dbraw/zinc/17/18/20/176171820.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336675090 176171821 /nfs/dbraw/zinc/17/18/21/176171821.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675090 176171823 /nfs/dbraw/zinc/17/18/23/176171823.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675090 176171825 /nfs/dbraw/zinc/17/18/25/176171825.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@@H]1[NH3+] ZINC000333948726 176251517 /nfs/dbraw/zinc/25/15/17/176251517.db2.gz WOYYIXBTNDEQIE-MXWKQRLJSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309784910 176268241 /nfs/dbraw/zinc/26/82/41/176268241.db2.gz NULMCXNJZMRRIX-WXHSDQCUSA-N 2 1 226.364 0.935 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919909 176269711 /nfs/dbraw/zinc/26/97/11/176269711.db2.gz OCTUGLDWMBHEFP-BDAKNGLRSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000360919909 176269713 /nfs/dbraw/zinc/26/97/13/176269713.db2.gz OCTUGLDWMBHEFP-BDAKNGLRSA-N 2 1 249.305 0.298 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336751167 176271035 /nfs/dbraw/zinc/27/10/35/176271035.db2.gz CAECIYVLZXCBEH-IJLUTSLNSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000362765445 176271258 /nfs/dbraw/zinc/27/12/58/176271258.db2.gz KAFCQAQRXWUMTK-WOPDTQHZSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000362765445 176271259 /nfs/dbraw/zinc/27/12/59/176271259.db2.gz KAFCQAQRXWUMTK-WOPDTQHZSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000362765445 176271261 /nfs/dbraw/zinc/27/12/61/176271261.db2.gz KAFCQAQRXWUMTK-WOPDTQHZSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000362765445 176271262 /nfs/dbraw/zinc/27/12/62/176271262.db2.gz KAFCQAQRXWUMTK-WOPDTQHZSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000362763800 176272362 /nfs/dbraw/zinc/27/23/62/176272362.db2.gz WJGQIBDCPFYIMW-NEPJUHHUSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605722 176272512 /nfs/dbraw/zinc/27/25/12/176272512.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 2 1 223.364 0.788 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCC[NH+](C)C ZINC000362763803 176275442 /nfs/dbraw/zinc/27/54/42/176275442.db2.gz WJGQIBDCPFYIMW-VXGBXAGGSA-N 2 1 241.379 0.642 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000300414033 176279853 /nfs/dbraw/zinc/27/98/53/176279853.db2.gz ILYFJOMGAOEZAM-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[NH+](C)C ZINC000309102219 176281144 /nfs/dbraw/zinc/28/11/44/176281144.db2.gz GJEPOEXOGMFSGK-PWSUYJOCSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH+](C)C ZINC000309102219 176281146 /nfs/dbraw/zinc/28/11/46/176281146.db2.gz GJEPOEXOGMFSGK-PWSUYJOCSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000083355683 176289670 /nfs/dbraw/zinc/28/96/70/176289670.db2.gz BTDLBWIRUJPLHB-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000094341522 176304052 /nfs/dbraw/zinc/30/40/52/176304052.db2.gz GBDRFWRQPOOMLW-MFKMUULPSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000094341522 176304053 /nfs/dbraw/zinc/30/40/53/176304053.db2.gz GBDRFWRQPOOMLW-MFKMUULPSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310176992 176344459 /nfs/dbraw/zinc/34/44/59/176344459.db2.gz VVHUUGRBLBTSPV-KGYLQXTDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310176992 176344460 /nfs/dbraw/zinc/34/44/60/176344460.db2.gz VVHUUGRBLBTSPV-KGYLQXTDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336749038 176355543 /nfs/dbraw/zinc/35/55/43/176355543.db2.gz TXRMRKDJFFLAEZ-ADEWGFFLSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336749038 176355545 /nfs/dbraw/zinc/35/55/45/176355545.db2.gz TXRMRKDJFFLAEZ-ADEWGFFLSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605244 176367818 /nfs/dbraw/zinc/36/78/18/176367818.db2.gz HTQPASBDBAWNGE-PWSUYJOCSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000132957164 176373698 /nfs/dbraw/zinc/37/36/98/176373698.db2.gz NHOBNWLZICSKHF-VWYCJHECSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000132973396 176374306 /nfs/dbraw/zinc/37/43/06/176374306.db2.gz OQVMXYUGNLLGJF-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)CC[N@H+]1C ZINC000133414043 176375439 /nfs/dbraw/zinc/37/54/39/176375439.db2.gz IVGVVPQKVCXQFA-MNOVXSKESA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000134162094 176763983 /nfs/dbraw/zinc/76/39/83/176763983.db2.gz ULVBXDLNHNLSRV-VWYCJHECSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[NH+](C)C ZINC000341411420 177117876 /nfs/dbraw/zinc/11/78/76/177117876.db2.gz HNZIYHKDIUXEBT-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000341411420 177117877 /nfs/dbraw/zinc/11/78/77/177117877.db2.gz HNZIYHKDIUXEBT-TXEJJXNPSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000226401706 177232353 /nfs/dbraw/zinc/23/23/53/177232353.db2.gz HQUPWFBDANAVHJ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000226401706 177232355 /nfs/dbraw/zinc/23/23/55/177232355.db2.gz HQUPWFBDANAVHJ-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCCCC1 ZINC000226402720 177232756 /nfs/dbraw/zinc/23/27/56/177232756.db2.gz JBUFRXFMYNCFHI-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCCCC1 ZINC000226402720 177232758 /nfs/dbraw/zinc/23/27/58/177232758.db2.gz JBUFRXFMYNCFHI-NSHDSACASA-N 2 1 239.363 0.811 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000226401291 177232789 /nfs/dbraw/zinc/23/27/89/177232789.db2.gz OQTAITCEPKNWGJ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000226401291 177232791 /nfs/dbraw/zinc/23/27/91/177232791.db2.gz OQTAITCEPKNWGJ-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000226402383 177232847 /nfs/dbraw/zinc/23/28/47/177232847.db2.gz CTKFJQIPBRHPHT-NSHDSACASA-N 2 1 247.342 0.921 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000226402383 177232848 /nfs/dbraw/zinc/23/28/48/177232848.db2.gz CTKFJQIPBRHPHT-NSHDSACASA-N 2 1 247.342 0.921 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000308889822 177233701 /nfs/dbraw/zinc/23/37/01/177233701.db2.gz XDROVKOSZSFAAJ-IVZWLZJFSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308889822 177233702 /nfs/dbraw/zinc/23/37/02/177233702.db2.gz XDROVKOSZSFAAJ-IVZWLZJFSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060388 177234012 /nfs/dbraw/zinc/23/40/12/177234012.db2.gz ODUQRIHSUKHRRV-WCQYABFASA-N 2 1 236.363 0.892 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH+](C)C ZINC000362357096 177234264 /nfs/dbraw/zinc/23/42/64/177234264.db2.gz DNWZTOFXRNJFJR-QWRGUYRKSA-N 2 1 227.352 0.252 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000308889820 177234605 /nfs/dbraw/zinc/23/46/05/177234605.db2.gz XDROVKOSZSFAAJ-AEJSXWLSSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308889820 177234607 /nfs/dbraw/zinc/23/46/07/177234607.db2.gz XDROVKOSZSFAAJ-AEJSXWLSSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000362762505 177234730 /nfs/dbraw/zinc/23/47/30/177234730.db2.gz JWHZJHGJACHKBB-UWVGGRQHSA-N 2 1 236.319 0.566 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771425 177246000 /nfs/dbraw/zinc/24/60/00/177246000.db2.gz KNVPLRFXWKCQTQ-JQWIXIFHSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000127617884 177247003 /nfs/dbraw/zinc/24/70/03/177247003.db2.gz JYEJKDLJDFXJEV-JQWIXIFHSA-N 2 1 212.337 0.689 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000225714754 487637732 /nfs/dbraw/zinc/63/77/32/487637732.db2.gz PTDTZWZNGCRXLA-IJLUTSLNSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000225714754 487637736 /nfs/dbraw/zinc/63/77/36/487637736.db2.gz PTDTZWZNGCRXLA-IJLUTSLNSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@H]1C[C@@H](C[N@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587641 177324474 /nfs/dbraw/zinc/32/44/74/177324474.db2.gz YBOOIXLJDBRRSY-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@@H](CN2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587641 177324475 /nfs/dbraw/zinc/32/44/75/177324475.db2.gz YBOOIXLJDBRRSY-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCOCCO)CC[N@@H+]1C ZINC000123703684 177327311 /nfs/dbraw/zinc/32/73/11/177327311.db2.gz KSHFMARJOHHYHU-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@@H]([NH+](C)CCOCCO)CC[N@H+]1C ZINC000123703684 177327313 /nfs/dbraw/zinc/32/73/13/177327313.db2.gz KSHFMARJOHHYHU-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@@H]([N@H+](C)CCOCCO)CC[NH+]1C ZINC000123703684 177327315 /nfs/dbraw/zinc/32/73/15/177327315.db2.gz KSHFMARJOHHYHU-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCCO)CC[NH+]1C ZINC000123703684 177327316 /nfs/dbraw/zinc/32/73/16/177327316.db2.gz KSHFMARJOHHYHU-RYUDHWBXSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC[N@H+]1C ZINC000126488860 177332340 /nfs/dbraw/zinc/33/23/40/177332340.db2.gz VUBMUPVRGAHKPN-RYUDHWBXSA-N 2 1 237.351 0.741 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1C ZINC000126776935 177361974 /nfs/dbraw/zinc/36/19/74/177361974.db2.gz LZAILBQJFMQUNY-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1C ZINC000126776935 177361976 /nfs/dbraw/zinc/36/19/76/177361976.db2.gz LZAILBQJFMQUNY-VHSXEESVSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000228659163 177361982 /nfs/dbraw/zinc/36/19/82/177361982.db2.gz KMSWJDVTJPBVCL-CMPLNLGQSA-N 2 1 222.336 0.632 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCCO)CC[N@@H+]1C ZINC000123476931 177365409 /nfs/dbraw/zinc/36/54/09/177365409.db2.gz WOXKRASVXSOFKM-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@H]([NH+](C)CCCO)CC[N@H+]1C ZINC000123476931 177365411 /nfs/dbraw/zinc/36/54/11/177365411.db2.gz WOXKRASVXSOFKM-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@H]([N@H+](C)CCCO)CC[NH+]1C ZINC000123476931 177365412 /nfs/dbraw/zinc/36/54/12/177365412.db2.gz WOXKRASVXSOFKM-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1C[C@H]([N@@H+](C)CCCO)CC[NH+]1C ZINC000123476931 177365413 /nfs/dbraw/zinc/36/54/13/177365413.db2.gz WOXKRASVXSOFKM-WDEREUQCSA-N 2 1 200.326 0.783 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000383566480 487639971 /nfs/dbraw/zinc/63/99/71/487639971.db2.gz BFEGSOKYICAOMD-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000383566480 487639974 /nfs/dbraw/zinc/63/99/74/487639974.db2.gz BFEGSOKYICAOMD-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000383566480 487639978 /nfs/dbraw/zinc/63/99/78/487639978.db2.gz BFEGSOKYICAOMD-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000383566480 487639983 /nfs/dbraw/zinc/63/99/83/487639983.db2.gz BFEGSOKYICAOMD-AGIUHOORSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000383596259 487643286 /nfs/dbraw/zinc/64/32/86/487643286.db2.gz PDWQAXMQRAQROS-RWMBFGLXSA-N 2 1 244.379 0.702 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909558 225272587 /nfs/dbraw/zinc/27/25/87/225272587.db2.gz GGWIHFYJGSBZLQ-QWRGUYRKSA-N 2 1 225.336 0.006 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H](C)N1CCC[NH+]1CCOCC1 ZINC000493608146 226245488 /nfs/dbraw/zinc/24/54/88/226245488.db2.gz ZSSSBNOYXSQYBK-BETUJISGSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000400405703 226342742 /nfs/dbraw/zinc/34/27/42/226342742.db2.gz RRXXLKHXHBZRHQ-ZMLRMANQSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457214 226344063 /nfs/dbraw/zinc/34/40/63/226344063.db2.gz QFHYMGFGWPJTMD-UTUOFQBUSA-N 2 1 239.363 0.727 20 0 BCADMP C[N@@H+](CCOCC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000087399726 487653107 /nfs/dbraw/zinc/65/31/07/487653107.db2.gz QJPIEVMTNBALRM-GFCCVEGCSA-N 2 1 212.337 0.954 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226082842 487656202 /nfs/dbraw/zinc/65/62/02/487656202.db2.gz WWNCMRYVQHRELT-JTQLQIEISA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588465 487657109 /nfs/dbraw/zinc/65/71/09/487657109.db2.gz BORVQOXXIVDDCN-UWVGGRQHSA-N 2 1 230.356 0.362 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588466 487657250 /nfs/dbraw/zinc/65/72/50/487657250.db2.gz BORVQOXXIVDDCN-ZJUUUORDSA-N 2 1 230.356 0.362 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660183 /nfs/dbraw/zinc/66/01/83/487660183.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660188 /nfs/dbraw/zinc/66/01/88/487660188.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660193 /nfs/dbraw/zinc/66/01/93/487660193.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 2 1 244.379 0.390 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591811 487663576 /nfs/dbraw/zinc/66/35/76/487663576.db2.gz FYFUBYFCZFCQMI-LLVKDONJSA-N 2 1 241.379 0.833 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CCC1 ZINC000383702483 487665275 /nfs/dbraw/zinc/66/52/75/487665275.db2.gz VUKISWCAWIGCDJ-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CCC1 ZINC000383702483 487665281 /nfs/dbraw/zinc/66/52/81/487665281.db2.gz VUKISWCAWIGCDJ-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CCC1 ZINC000383702483 487665286 /nfs/dbraw/zinc/66/52/86/487665286.db2.gz VUKISWCAWIGCDJ-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CCC1 ZINC000383702483 487665292 /nfs/dbraw/zinc/66/52/92/487665292.db2.gz VUKISWCAWIGCDJ-CYBMUJFWSA-N 2 1 244.379 0.534 20 0 BCADMP Cn1cncc1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000314865452 487668906 /nfs/dbraw/zinc/66/89/06/487668906.db2.gz JTZMVILYSVVTMD-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314866720 487669221 /nfs/dbraw/zinc/66/92/21/487669221.db2.gz JZLVEDUDOYSYQF-GFCCVEGCSA-N 2 1 236.363 0.894 20 0 BCADMP Cn1cncc1CCC[N@@H+](C)CCC[NH3+] ZINC000314995217 487670305 /nfs/dbraw/zinc/67/03/05/487670305.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 2 1 210.325 0.633 20 0 BCADMP C[C@@H]1C[NH2+]CCN1CCCc1c[nH+]cn1C ZINC000314916807 487670131 /nfs/dbraw/zinc/67/01/31/487670131.db2.gz OYUGTIISKKYRPF-LLVKDONJSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000675147478 487674634 /nfs/dbraw/zinc/67/46/34/487674634.db2.gz SKSUMVOXBFYTAB-JBLDHEPKSA-N 2 1 239.363 0.535 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCc1cncn1C ZINC000314129351 487679711 /nfs/dbraw/zinc/67/97/11/487679711.db2.gz FCRNAVYMQOSKHM-UHFFFAOYSA-N 2 1 224.352 0.894 20 0 BCADMP C[NH2+]CCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000314129351 487679713 /nfs/dbraw/zinc/67/97/13/487679713.db2.gz FCRNAVYMQOSKHM-UHFFFAOYSA-N 3 1 224.352 0.894 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314129351 487679714 /nfs/dbraw/zinc/67/97/14/487679714.db2.gz FCRNAVYMQOSKHM-UHFFFAOYSA-N 3 1 224.352 0.894 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cnn(C)c1 ZINC000227258048 487681053 /nfs/dbraw/zinc/68/10/53/487681053.db2.gz RCOGPLZKTGRXSY-JQWIXIFHSA-N 2 1 222.336 0.774 20 0 BCADMP CC(C)[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000384039965 487689720 /nfs/dbraw/zinc/68/97/20/487689720.db2.gz UWSBGFOYNOFCJY-QWHCGFSZSA-N 2 1 246.395 0.684 20 0 BCADMP C[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000669403346 487706172 /nfs/dbraw/zinc/70/61/72/487706172.db2.gz WADWGACERJHYNI-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226396313 487731605 /nfs/dbraw/zinc/73/16/05/487731605.db2.gz WKQYEFOAZDTZFF-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000226396619 487731378 /nfs/dbraw/zinc/73/13/78/487731378.db2.gz FMROUTSKERTRSO-SNVBAGLBSA-N 2 1 229.368 0.960 20 0 BCADMP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226398837 487734392 /nfs/dbraw/zinc/73/43/92/487734392.db2.gz XYRWBSUZCFHIGN-VIFPVBQESA-N 2 1 227.352 0.713 20 0 BCADMP CN(C)c1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000649345379 487736927 /nfs/dbraw/zinc/73/69/27/487736927.db2.gz YLRONAJLIXJAGY-IAZYJMLFSA-N 2 1 246.314 0.552 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251235407 487751121 /nfs/dbraw/zinc/75/11/21/487751121.db2.gz RMXMQDFBIUWFDN-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251235407 487751126 /nfs/dbraw/zinc/75/11/26/487751126.db2.gz RMXMQDFBIUWFDN-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251543142 487767258 /nfs/dbraw/zinc/76/72/58/487767258.db2.gz AUZZKNPSSNWBPA-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251543142 487767262 /nfs/dbraw/zinc/76/72/62/487767262.db2.gz AUZZKNPSSNWBPA-CMPLNLGQSA-N 2 1 222.336 0.979 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649593225 487768163 /nfs/dbraw/zinc/76/81/63/487768163.db2.gz IYMWJOLPGLXAGX-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649593225 487768165 /nfs/dbraw/zinc/76/81/65/487768165.db2.gz IYMWJOLPGLXAGX-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251556260 487768471 /nfs/dbraw/zinc/76/84/71/487768471.db2.gz LZDDNILQISKDIQ-AXFHLTTASA-N 2 1 227.352 0.522 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000662965142 487773730 /nfs/dbraw/zinc/77/37/30/487773730.db2.gz HUOYTPKEDDDQGO-VIFPVBQESA-N 2 1 201.314 0.051 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000662965134 487773927 /nfs/dbraw/zinc/77/39/27/487773927.db2.gz HUOYTPKEDDDQGO-SECBINFHSA-N 2 1 201.314 0.051 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000675785474 487778565 /nfs/dbraw/zinc/77/85/65/487778565.db2.gz PCMTVJBVWWJREX-NSHDSACASA-N 2 1 237.351 0.741 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748085 487795364 /nfs/dbraw/zinc/79/53/64/487795364.db2.gz LFIGQKAEVHRCRO-NXEZZACHSA-N 2 1 200.326 0.817 20 0 BCADMP CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668474585 487799838 /nfs/dbraw/zinc/79/98/38/487799838.db2.gz APKHTFMHVCQDLH-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668474585 487799842 /nfs/dbraw/zinc/79/98/42/487799842.db2.gz APKHTFMHVCQDLH-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+](CCCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000309231812 487800260 /nfs/dbraw/zinc/80/02/60/487800260.db2.gz IRFQCJRVZMPXNV-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000309231812 487800264 /nfs/dbraw/zinc/80/02/64/487800264.db2.gz IRFQCJRVZMPXNV-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309231812 487800269 /nfs/dbraw/zinc/80/02/69/487800269.db2.gz IRFQCJRVZMPXNV-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP CC[NH+](CCCO)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309231812 487800278 /nfs/dbraw/zinc/80/02/78/487800278.db2.gz IRFQCJRVZMPXNV-LBPRGKRZSA-N 2 1 232.368 0.392 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251805329 487800585 /nfs/dbraw/zinc/80/05/85/487800585.db2.gz ODEJNGBVNBPEHO-BBBLOLIVSA-N 2 1 213.325 0.132 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251805329 487800589 /nfs/dbraw/zinc/80/05/89/487800589.db2.gz ODEJNGBVNBPEHO-BBBLOLIVSA-N 2 1 213.325 0.132 20 0 BCADMP CCC[N@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000309278739 487812833 /nfs/dbraw/zinc/81/28/33/487812833.db2.gz SRGUWLRPBCZKOR-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[N@@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000309278739 487812838 /nfs/dbraw/zinc/81/28/38/487812838.db2.gz SRGUWLRPBCZKOR-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@H+](C)C(C)C ZINC000309278739 487812843 /nfs/dbraw/zinc/81/28/43/487812843.db2.gz SRGUWLRPBCZKOR-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP CCC[NH+](CCO)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309278739 487812847 /nfs/dbraw/zinc/81/28/47/487812847.db2.gz SRGUWLRPBCZKOR-GFCCVEGCSA-N 2 1 232.368 0.392 20 0 BCADMP [NH3+]CCC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000414768779 487824258 /nfs/dbraw/zinc/82/42/58/487824258.db2.gz VSACAYQNZHAFNM-JTQLQIEISA-N 2 1 218.366 0.525 20 0 BCADMP CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000849003878 588431853 /nfs/dbraw/zinc/43/18/53/588431853.db2.gz MFLGGJHXKKGETK-VIFPVBQESA-N 2 1 216.354 0.167 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852744104 588698844 /nfs/dbraw/zinc/69/88/44/588698844.db2.gz SBUVTBQXLFQJIW-QMMMGPOBSA-N 2 1 208.252 0.896 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852744104 588698845 /nfs/dbraw/zinc/69/88/45/588698845.db2.gz SBUVTBQXLFQJIW-QMMMGPOBSA-N 2 1 208.252 0.896 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000062620414 487846958 /nfs/dbraw/zinc/84/69/58/487846958.db2.gz OKKINFVUDNEBPR-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594873980 487852742 /nfs/dbraw/zinc/85/27/42/487852742.db2.gz YIERJSQPLOCCGB-VHSXEESVSA-N 2 1 211.309 0.030 20 0 BCADMP COC[C@H](C)C[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000253124675 487855191 /nfs/dbraw/zinc/85/51/91/487855191.db2.gz PTDTZWZNGCRXLA-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP COC[C@H](C)C[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000253124675 487855195 /nfs/dbraw/zinc/85/51/95/487855195.db2.gz PTDTZWZNGCRXLA-WOPDTQHZSA-N 2 1 230.352 0.707 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000652257670 487893457 /nfs/dbraw/zinc/89/34/57/487893457.db2.gz ZLSMRIMDKKTLFK-DBIOUOCHSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000652257670 487893462 /nfs/dbraw/zinc/89/34/62/487893462.db2.gz ZLSMRIMDKKTLFK-DBIOUOCHSA-N 2 1 225.336 0.323 20 0 BCADMP CNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000682077571 487902398 /nfs/dbraw/zinc/90/23/98/487902398.db2.gz YXSNFBASKCPFOH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000682077571 487902402 /nfs/dbraw/zinc/90/24/02/487902402.db2.gz YXSNFBASKCPFOH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000682077571 487902406 /nfs/dbraw/zinc/90/24/06/487902406.db2.gz YXSNFBASKCPFOH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000682077571 487902410 /nfs/dbraw/zinc/90/24/10/487902410.db2.gz YXSNFBASKCPFOH-RYUDHWBXSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000676718980 487905282 /nfs/dbraw/zinc/90/52/82/487905282.db2.gz FXBNPWPPPYZNOV-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000676718980 487905284 /nfs/dbraw/zinc/90/52/84/487905284.db2.gz FXBNPWPPPYZNOV-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000676718980 487905287 /nfs/dbraw/zinc/90/52/87/487905287.db2.gz FXBNPWPPPYZNOV-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH2+]CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418322499 487913301 /nfs/dbraw/zinc/91/33/01/487913301.db2.gz FRMQQJPWYUQRHA-UHFFFAOYSA-N 2 1 242.367 0.332 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157782122 487920584 /nfs/dbraw/zinc/92/05/84/487920584.db2.gz SODDOZGTULRSPL-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C)C1 ZINC000652335872 487924693 /nfs/dbraw/zinc/92/46/93/487924693.db2.gz MXKXLARGEDZUMG-WDEREUQCSA-N 2 1 200.326 0.689 20 0 BCADMP COCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361399 487931926 /nfs/dbraw/zinc/93/19/26/487931926.db2.gz GNSAYYXQMDCZTH-JHJVBQTASA-N 2 1 242.363 0.994 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474604 487937155 /nfs/dbraw/zinc/93/71/55/487937155.db2.gz ICEMYSMQWJPPKY-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000677172012 487951637 /nfs/dbraw/zinc/95/16/37/487951637.db2.gz CGTNREVLCZKWIM-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000677172012 487951641 /nfs/dbraw/zinc/95/16/41/487951641.db2.gz CGTNREVLCZKWIM-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000677172012 487951645 /nfs/dbraw/zinc/95/16/45/487951645.db2.gz CGTNREVLCZKWIM-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000667182329 487954842 /nfs/dbraw/zinc/95/48/42/487954842.db2.gz ZSXNBIQUDPZATB-SNVBAGLBSA-N 2 1 237.347 0.434 20 0 BCADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000667182329 487954847 /nfs/dbraw/zinc/95/48/47/487954847.db2.gz ZSXNBIQUDPZATB-SNVBAGLBSA-N 2 1 237.347 0.434 20 0 BCADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000570037685 323047834 /nfs/dbraw/zinc/04/78/34/323047834.db2.gz VOCYBUZDYGAHAW-SNVBAGLBSA-N 2 1 213.325 0.183 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)CN)C1 ZINC000570171728 323051915 /nfs/dbraw/zinc/05/19/15/323051915.db2.gz JIKMAXHNMBTBQX-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000570171728 323051917 /nfs/dbraw/zinc/05/19/17/323051917.db2.gz JIKMAXHNMBTBQX-VIFPVBQESA-N 2 1 249.305 0.429 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CC1CC1 ZINC000570407464 323058770 /nfs/dbraw/zinc/05/87/70/323058770.db2.gz CEKCSBQOEYEEMO-GFCCVEGCSA-N 2 1 230.352 0.003 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)CC1CC1 ZINC000570407464 323058771 /nfs/dbraw/zinc/05/87/71/323058771.db2.gz CEKCSBQOEYEEMO-GFCCVEGCSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)CC1CC1 ZINC000570407464 323058772 /nfs/dbraw/zinc/05/87/72/323058772.db2.gz CEKCSBQOEYEEMO-GFCCVEGCSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)CC1CC1 ZINC000570407464 323058773 /nfs/dbraw/zinc/05/87/73/323058773.db2.gz CEKCSBQOEYEEMO-GFCCVEGCSA-N 2 1 230.352 0.003 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000570667424 323066564 /nfs/dbraw/zinc/06/65/64/323066564.db2.gz NQOJLRUOZDXSAU-GMTAPVOTSA-N 2 1 242.367 0.458 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+]CC1(O)CCCC1 ZINC000570710251 323068153 /nfs/dbraw/zinc/06/81/53/323068153.db2.gz PPTQCWZPXFUHBU-UHFFFAOYSA-N 2 1 244.379 0.849 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000570820709 323071691 /nfs/dbraw/zinc/07/16/91/323071691.db2.gz UWFCPRARMPBWCR-SNVBAGLBSA-N 2 1 213.325 0.006 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CC(C)C1 ZINC000518792856 323085519 /nfs/dbraw/zinc/08/55/19/323085519.db2.gz VGLHKQMMVBUDMC-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CC(C)C1 ZINC000518792856 323085520 /nfs/dbraw/zinc/08/55/20/323085520.db2.gz VGLHKQMMVBUDMC-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000563086899 323090605 /nfs/dbraw/zinc/09/06/05/323090605.db2.gz VBZYPGDHYVAGJH-TUAOUCFPSA-N 2 1 239.363 0.395 20 0 BCADMP [NH3+]Cc1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000567849880 323092526 /nfs/dbraw/zinc/09/25/26/323092526.db2.gz MBGOVBCDQBFAFU-UHFFFAOYSA-N 2 1 244.298 0.884 20 0 BCADMP C[C@H](Cc1nc(C[NH3+])no1)[C@@H]1CCC[NH2+]C1 ZINC000563118339 323093768 /nfs/dbraw/zinc/09/37/68/323093768.db2.gz BSVSSYOWSRFQPH-RKDXNWHRSA-N 2 1 224.308 0.707 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C[C@@H]1CCC[NH2+]C1 ZINC000563137809 323094725 /nfs/dbraw/zinc/09/47/25/323094725.db2.gz YGNFOLDIZPNBSG-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C[C@@H]1CCC[NH2+]C1 ZINC000563137809 323094726 /nfs/dbraw/zinc/09/47/26/323094726.db2.gz YGNFOLDIZPNBSG-GFCCVEGCSA-N 2 1 239.363 0.540 20 0 BCADMP COCCOCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150085 323095610 /nfs/dbraw/zinc/09/56/10/323095610.db2.gz JGRDJYQBBUELCT-ZDUSSCGKSA-N 2 1 242.363 0.725 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC[NH2+]C1CC1 ZINC000310390389 323131179 /nfs/dbraw/zinc/13/11/79/323131179.db2.gz FYOUIJOEXWAALE-UHFFFAOYSA-N 2 1 236.319 0.450 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132438 /nfs/dbraw/zinc/13/24/38/323132438.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 1 244.379 0.798 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000571645505 323150753 /nfs/dbraw/zinc/15/07/53/323150753.db2.gz RGKPKEUNBGBSTD-GARJFASQSA-N 2 1 237.347 0.324 20 0 BCADMP CC[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000531959096 323157914 /nfs/dbraw/zinc/15/79/14/323157914.db2.gz OWWZPLGVRJUMPL-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@@H+](CC(=O)NCCCC[NH+](C)C)C1CC1 ZINC000442710578 323180318 /nfs/dbraw/zinc/18/03/18/323180318.db2.gz QHXGAPRTNQKLAB-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000518941718 323188928 /nfs/dbraw/zinc/18/89/28/323188928.db2.gz YVXCZLCFZFHUOT-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C[N@H+]1C ZINC000535824951 323192580 /nfs/dbraw/zinc/19/25/80/323192580.db2.gz RCCSDGMZGLJANH-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H](C)C[NH+]1C ZINC000535824951 323192581 /nfs/dbraw/zinc/19/25/81/323192581.db2.gz RCCSDGMZGLJANH-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](C)C[NH+]1C ZINC000535824951 323192582 /nfs/dbraw/zinc/19/25/82/323192582.db2.gz RCCSDGMZGLJANH-WOPDTQHZSA-N 2 1 239.363 0.489 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399250361 323201836 /nfs/dbraw/zinc/20/18/36/323201836.db2.gz XNFAGIOIFWAUOR-SNVBAGLBSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[NH+]1CCC(NC[C@@H]2COCC[NH2+]2)CC1 ZINC000530182710 323205726 /nfs/dbraw/zinc/20/57/26/323205726.db2.gz YHFPPHBBNVKZHG-CYBMUJFWSA-N 2 1 241.379 0.437 20 0 BCADMP CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000530220372 323217897 /nfs/dbraw/zinc/21/78/97/323217897.db2.gz UEXOASSJHZWKPM-MBYGNEARSA-N 2 1 237.347 0.480 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@H](C)C1 ZINC000530226752 323219498 /nfs/dbraw/zinc/21/94/98/323219498.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000530226752 323219501 /nfs/dbraw/zinc/21/95/01/323219501.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 2 1 241.379 0.295 20 0 BCADMP CC[N@H+]1CC[C@H](NC[C@@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000530226752 323219504 /nfs/dbraw/zinc/21/95/04/323219504.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 2 1 241.379 0.295 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563959059 323331762 /nfs/dbraw/zinc/33/17/62/323331762.db2.gz CMEVJUHTPNGXKX-YPMHNXCESA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563958837 323331842 /nfs/dbraw/zinc/33/18/42/323331842.db2.gz CMEVJUHTPNGXKX-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C(C)C ZINC000309294459 323341269 /nfs/dbraw/zinc/34/12/69/323341269.db2.gz WRNRAYAHMTWOBV-VXGBXAGGSA-N 2 1 232.368 0.296 20 0 BCADMP CC(C)([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000083887481 487958278 /nfs/dbraw/zinc/95/82/78/487958278.db2.gz COCIWAYGJBHFTD-UHFFFAOYSA-N 2 1 211.309 0.102 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000120520985 323988319 /nfs/dbraw/zinc/98/83/19/323988319.db2.gz ZBKQDZBXLQRSHQ-DGCLKSJQSA-N 2 1 242.363 0.864 20 0 BCADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1C ZINC000545873150 324117689 /nfs/dbraw/zinc/11/76/89/324117689.db2.gz JYLHPJMCXONRNL-ZJUUUORDSA-N 2 1 248.330 0.497 20 0 BCADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1C ZINC000545873150 324117691 /nfs/dbraw/zinc/11/76/91/324117691.db2.gz JYLHPJMCXONRNL-ZJUUUORDSA-N 2 1 248.330 0.497 20 0 BCADMP COCCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397338434 324213146 /nfs/dbraw/zinc/21/31/46/324213146.db2.gz ZEDIGUHTEZIZBC-AVGNSLFASA-N 2 1 244.379 0.955 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000528968056 324225265 /nfs/dbraw/zinc/22/52/65/324225265.db2.gz HTZZCSSCABXSIR-UHFFFAOYSA-N 2 1 248.330 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000528968056 324225268 /nfs/dbraw/zinc/22/52/68/324225268.db2.gz HTZZCSSCABXSIR-UHFFFAOYSA-N 2 1 248.330 0.570 20 0 BCADMP [NH3+]CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913245 487964677 /nfs/dbraw/zinc/96/46/77/487964677.db2.gz QXJFTMWBRFWATI-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000130701385 325081353 /nfs/dbraw/zinc/08/13/53/325081353.db2.gz DANMYNRTBPDZLK-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+](CC(=O)NCC[NH+](C)C)C1CC1 ZINC000130846161 325093573 /nfs/dbraw/zinc/09/35/73/325093573.db2.gz ICKSYUOZCPOOQL-UHFFFAOYSA-N 2 1 213.325 0.149 20 0 BCADMP CCN(CCO)CC[NH2+]Cc1nccn1CC ZINC000547388591 325350307 /nfs/dbraw/zinc/35/03/07/325350307.db2.gz LFOWKWAKROVQIM-UHFFFAOYSA-N 2 1 240.351 0.307 20 0 BCADMP C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000135074775 325392147 /nfs/dbraw/zinc/39/21/47/325392147.db2.gz KDHJJDXICLPTGG-DBIOUOCHSA-N 2 1 200.326 0.686 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC000400062469 487969677 /nfs/dbraw/zinc/96/96/77/487969677.db2.gz BKQRLEYYLANQKT-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000400062469 487969682 /nfs/dbraw/zinc/96/96/82/487969682.db2.gz BKQRLEYYLANQKT-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000400062469 487969684 /nfs/dbraw/zinc/96/96/84/487969684.db2.gz BKQRLEYYLANQKT-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@H]1O ZINC000400062469 487969688 /nfs/dbraw/zinc/96/96/88/487969688.db2.gz BKQRLEYYLANQKT-JHJVBQTASA-N 2 1 244.379 0.390 20 0 BCADMP O=C([C@H]1CSC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000565003218 325844468 /nfs/dbraw/zinc/84/44/68/325844468.db2.gz WEYYMTZPJAWKPU-SECBINFHSA-N 2 1 241.360 0.003 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@H](C)O)CC1 ZINC000565165097 325865474 /nfs/dbraw/zinc/86/54/74/325865474.db2.gz QJELQEUSPUZZEM-LBPRGKRZSA-N 2 1 244.379 0.582 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000566201679 326011741 /nfs/dbraw/zinc/01/17/41/326011741.db2.gz UPZOBXYLSQHRCE-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000566213583 326015017 /nfs/dbraw/zinc/01/50/17/326015017.db2.gz XAEGRTFUCGPWSR-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245125 326021678 /nfs/dbraw/zinc/02/16/78/326021678.db2.gz DGSXYOYPMUGNKE-TUAOUCFPSA-N 2 1 237.347 0.196 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000566296193 326030193 /nfs/dbraw/zinc/03/01/93/326030193.db2.gz WECZVTNXBORGAT-GHMZBOCLSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000566302737 326031361 /nfs/dbraw/zinc/03/13/61/326031361.db2.gz QQEMBHKHXQPLBE-JTQLQIEISA-N 2 1 208.309 0.938 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000566404171 326040083 /nfs/dbraw/zinc/04/00/83/326040083.db2.gz NLFVAALENBXQFP-MRVPVSSYSA-N 2 1 237.294 0.604 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000566428708 326045942 /nfs/dbraw/zinc/04/59/42/326045942.db2.gz JKGWZADFWVHPBI-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000566428708 326045944 /nfs/dbraw/zinc/04/59/44/326045944.db2.gz JKGWZADFWVHPBI-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000566795469 326083420 /nfs/dbraw/zinc/08/34/20/326083420.db2.gz OJTRTCPDWWWZCL-LLVKDONJSA-N 2 1 236.319 0.402 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000567175473 326129275 /nfs/dbraw/zinc/12/92/75/326129275.db2.gz MHQDUUUZRLIHQL-VIFPVBQESA-N 2 1 247.289 0.323 20 0 BCADMP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000154353969 326141042 /nfs/dbraw/zinc/14/10/42/326141042.db2.gz PGVYGTSNTFPTHN-WZRBSPASSA-N 2 1 241.379 0.124 20 0 BCADMP COC(=O)c1cc(C[N@H+](C)CCC[NH3+])c[nH]1 ZINC000567269378 326154029 /nfs/dbraw/zinc/15/40/29/326154029.db2.gz BLTGOEFEGCHPCK-UHFFFAOYSA-N 2 1 225.292 0.582 20 0 BCADMP COC(=O)c1cc(C[N@@H+](C)CCC[NH3+])c[nH]1 ZINC000567269378 326154030 /nfs/dbraw/zinc/15/40/30/326154030.db2.gz BLTGOEFEGCHPCK-UHFFFAOYSA-N 2 1 225.292 0.582 20 0 BCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)O)CC1 ZINC000567691487 326246170 /nfs/dbraw/zinc/24/61/70/326246170.db2.gz YMMHWCGAOSPSOK-ZDUSSCGKSA-N 2 1 243.395 0.375 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC ZINC000567834427 326266128 /nfs/dbraw/zinc/26/61/28/326266128.db2.gz ZYFJQWWYDSFKPC-UHFFFAOYSA-N 2 1 215.341 0.444 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000567839431 326267796 /nfs/dbraw/zinc/26/77/96/326267796.db2.gz YGPABYZQTZTKSQ-MRVPVSSYSA-N 2 1 235.278 0.086 20 0 BCADMP [NH3+]CCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567870872 326274105 /nfs/dbraw/zinc/27/41/05/326274105.db2.gz UBNZZIRSMWMLDQ-NEPJUHHUSA-N 2 1 227.352 0.163 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000568050838 326300562 /nfs/dbraw/zinc/30/05/62/326300562.db2.gz IMEDRCLAXRCHJN-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000568050838 326300565 /nfs/dbraw/zinc/30/05/65/326300565.db2.gz IMEDRCLAXRCHJN-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP CC[NH+](CC)CCNC(=O)CC(F)(F)C[NH3+] ZINC000568149288 326313487 /nfs/dbraw/zinc/31/34/87/326313487.db2.gz HPOSFSJSKJSNQU-UHFFFAOYSA-N 2 1 237.294 0.429 20 0 BCADMP C[C@@]1(CNC(=O)CC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000568152855 326314228 /nfs/dbraw/zinc/31/42/28/326314228.db2.gz NIRQSIZLPVPBTR-SNVBAGLBSA-N 2 1 249.305 0.476 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000568167257 326318290 /nfs/dbraw/zinc/31/82/90/326318290.db2.gz DDSUZGDYJPSXBM-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000568167257 326318291 /nfs/dbraw/zinc/31/82/91/326318291.db2.gz DDSUZGDYJPSXBM-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000568167257 326318293 /nfs/dbraw/zinc/31/82/93/326318293.db2.gz DDSUZGDYJPSXBM-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000568167257 326318294 /nfs/dbraw/zinc/31/82/94/326318294.db2.gz DDSUZGDYJPSXBM-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCCO)CC1 ZINC000568175928 326320142 /nfs/dbraw/zinc/32/01/42/326320142.db2.gz LZUCDPTZUAOFNV-UHFFFAOYSA-N 2 1 244.379 0.584 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000568275513 326339682 /nfs/dbraw/zinc/33/96/82/326339682.db2.gz YKNGXDSWSSDRDU-SNVBAGLBSA-N 2 1 225.336 0.326 20 0 BCADMP CC(C)[NH2+]CCCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568381410 326351331 /nfs/dbraw/zinc/35/13/31/326351331.db2.gz JQXZRJDUXPJRGX-CHWSQXEVSA-N 2 1 243.395 0.731 20 0 BCADMP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000568974825 326384233 /nfs/dbraw/zinc/38/42/33/326384233.db2.gz AVRAVWQVDHMXFN-LBPRGKRZSA-N 2 1 245.342 0.535 20 0 BCADMP C[N@@H+](CCCC[NH2+]CCC(N)=O)C1CC1 ZINC000569095865 326389625 /nfs/dbraw/zinc/38/96/25/326389625.db2.gz MQEXMKPTTKKAJZ-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCCC[NH3+] ZINC000569248143 326397764 /nfs/dbraw/zinc/39/77/64/326397764.db2.gz HTTNYSAILYMVIN-GFCCVEGCSA-N 2 1 241.379 0.916 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000163419420 326401726 /nfs/dbraw/zinc/40/17/26/326401726.db2.gz PGSRAXIWUXSQMS-QWRGUYRKSA-N 2 1 223.320 0.941 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000572731456 326407614 /nfs/dbraw/zinc/40/76/14/326407614.db2.gz ZPWRIDHSOSJWEA-MRTMQBJTSA-N 2 1 249.305 0.473 20 0 BCADMP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000677171050 487987522 /nfs/dbraw/zinc/98/75/22/487987522.db2.gz CBKXMXPHIZQKGW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000677171050 487987526 /nfs/dbraw/zinc/98/75/26/487987526.db2.gz CBKXMXPHIZQKGW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000677171050 487987530 /nfs/dbraw/zinc/98/75/30/487987530.db2.gz CBKXMXPHIZQKGW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000677171050 487987537 /nfs/dbraw/zinc/98/75/37/487987537.db2.gz CBKXMXPHIZQKGW-NEPJUHHUSA-N 2 1 239.363 0.633 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000677182363 487993424 /nfs/dbraw/zinc/99/34/24/487993424.db2.gz FYMNVDQEHAAIPN-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000677182363 487993429 /nfs/dbraw/zinc/99/34/29/487993429.db2.gz FYMNVDQEHAAIPN-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396746124 488002737 /nfs/dbraw/zinc/00/27/37/488002737.db2.gz YTGLBORCILZGCI-JQWIXIFHSA-N 2 1 225.336 0.183 20 0 BCADMP CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000147463836 488024862 /nfs/dbraw/zinc/02/48/62/488024862.db2.gz KZROJHIKYJKHND-PWSUYJOCSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000147463836 488024867 /nfs/dbraw/zinc/02/48/67/488024867.db2.gz KZROJHIKYJKHND-PWSUYJOCSA-N 2 1 239.363 0.666 20 0 BCADMP C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655450330 488040532 /nfs/dbraw/zinc/04/05/32/488040532.db2.gz KNBAEZGKKZCBJG-DGCLKSJQSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491124 488052315 /nfs/dbraw/zinc/05/23/15/488052315.db2.gz MPZVWGPWMMMPKE-MWLCHTKSSA-N 2 1 240.351 0.117 20 0 BCADMP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491112 488052996 /nfs/dbraw/zinc/05/29/96/488052996.db2.gz MHRHXSXMDSIVKQ-LLVKDONJSA-N 2 1 240.351 0.071 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309217116 488060954 /nfs/dbraw/zinc/06/09/54/488060954.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CO ZINC000309217116 488060958 /nfs/dbraw/zinc/06/09/58/488060958.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309217116 488060960 /nfs/dbraw/zinc/06/09/60/488060960.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309217116 488060963 /nfs/dbraw/zinc/06/09/63/488060963.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538939 488071080 /nfs/dbraw/zinc/07/10/80/488071080.db2.gz LMFFNJCIYLMOSP-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CO[C@H]1CCN(Cc2cnc(C)n2C)C1 ZINC000667648935 488071720 /nfs/dbraw/zinc/07/17/20/488071720.db2.gz DWSNRXXEGHEZCW-NSHDSACASA-N 2 1 209.293 0.949 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257670659 488078626 /nfs/dbraw/zinc/07/86/26/488078626.db2.gz GINCEYOXQWEWGF-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236649263 488080194 /nfs/dbraw/zinc/08/01/94/488080194.db2.gz YTBXJTVLYQLWQO-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000389195636 488080512 /nfs/dbraw/zinc/08/05/12/488080512.db2.gz XANMTDOOBPBMTC-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000389195637 488080957 /nfs/dbraw/zinc/08/09/57/488080957.db2.gz XANMTDOOBPBMTC-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000257751329 488087691 /nfs/dbraw/zinc/08/76/91/488087691.db2.gz GPAHGNRGEGCNSD-WDEREUQCSA-N 2 1 225.336 0.278 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634339 488103770 /nfs/dbraw/zinc/10/37/70/488103770.db2.gz IVSIBLWENSRBGX-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785004 488113832 /nfs/dbraw/zinc/11/38/32/488113832.db2.gz AALHSEFIKWTECB-NEPJUHHUSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000675783752 488122988 /nfs/dbraw/zinc/12/29/88/488122988.db2.gz AADBLRRBXKQZRJ-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624531 488130331 /nfs/dbraw/zinc/13/03/31/488130331.db2.gz QZSLUVXCUVGFKP-GFCCVEGCSA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094567243 487542444 /nfs/dbraw/zinc/54/24/44/487542444.db2.gz HDBVNCLSXOQDIG-SECBINFHSA-N 2 1 237.303 0.420 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088299 487547789 /nfs/dbraw/zinc/54/77/89/487547789.db2.gz NPWCKTFXRJJRBN-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000674288453 487549501 /nfs/dbraw/zinc/54/95/01/487549501.db2.gz ATOXWWMCQZGJID-SDDRHHMPSA-N 2 1 241.379 0.735 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392838374 487555452 /nfs/dbraw/zinc/55/54/52/487555452.db2.gz OZECFXCPECABPE-NWDGAFQWSA-N 2 1 237.347 0.492 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH2+]C(C)C)C1 ZINC000037484150 487471625 /nfs/dbraw/zinc/47/16/25/487471625.db2.gz LYRUBGLOQOPVSR-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393963674 487493326 /nfs/dbraw/zinc/49/33/26/487493326.db2.gz JSZHLFOOGXZGRS-NEPJUHHUSA-N 2 1 246.395 0.684 20 0 BCADMP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381145443 487500280 /nfs/dbraw/zinc/50/02/80/487500280.db2.gz NOWMLGCBIOAKFP-JQWIXIFHSA-N 2 1 225.336 0.135 20 0 BCADMP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381145443 487500286 /nfs/dbraw/zinc/50/02/86/487500286.db2.gz NOWMLGCBIOAKFP-JQWIXIFHSA-N 2 1 225.336 0.135 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657975056 487501558 /nfs/dbraw/zinc/50/15/58/487501558.db2.gz WVLXJLPLZYTDHI-AAEUAGOBSA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657975056 487501560 /nfs/dbraw/zinc/50/15/60/487501560.db2.gz WVLXJLPLZYTDHI-AAEUAGOBSA-N 2 1 224.348 0.975 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094294219 487526369 /nfs/dbraw/zinc/52/63/69/487526369.db2.gz CURPBQCQVQSIEV-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243807 490040992 /nfs/dbraw/zinc/04/09/92/490040992.db2.gz KGKNFTAOHXSOAC-WOPDTQHZSA-N 3 1 239.363 0.177 20 0 BCADMP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243807 490040994 /nfs/dbraw/zinc/04/09/94/490040994.db2.gz KGKNFTAOHXSOAC-WOPDTQHZSA-N 2 1 239.363 0.177 20 0 BCADMP CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000404445391 488160979 /nfs/dbraw/zinc/16/09/79/488160979.db2.gz JOMKYWSBCVNHEJ-PWSUYJOCSA-N 2 1 237.351 0.905 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246304 487535013 /nfs/dbraw/zinc/53/50/13/487535013.db2.gz IUFGHPSDVPTTTF-MNOVXSKESA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000674245866 487535307 /nfs/dbraw/zinc/53/53/07/487535307.db2.gz UORXSBSLYYCDNX-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000677502731 488053846 /nfs/dbraw/zinc/05/38/46/488053846.db2.gz OZUZBZLODGLQMX-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000677502731 488053848 /nfs/dbraw/zinc/05/38/48/488053848.db2.gz OZUZBZLODGLQMX-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000677502731 488053852 /nfs/dbraw/zinc/05/38/52/488053852.db2.gz OZUZBZLODGLQMX-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230764507 488155726 /nfs/dbraw/zinc/15/57/26/488155726.db2.gz XIJDADZVXIXERP-GFCCVEGCSA-N 2 1 236.363 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000677985372 488169031 /nfs/dbraw/zinc/16/90/31/488169031.db2.gz XVTOLKNDYYFCTB-GFCCVEGCSA-N 2 1 223.320 0.894 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000677985372 488169032 /nfs/dbraw/zinc/16/90/32/488169032.db2.gz XVTOLKNDYYFCTB-GFCCVEGCSA-N 2 1 223.320 0.894 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000390617961 488170006 /nfs/dbraw/zinc/17/00/06/488170006.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(O)C1 ZINC000390617961 488170013 /nfs/dbraw/zinc/17/00/13/488170013.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000390617961 488170018 /nfs/dbraw/zinc/17/00/18/488170018.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000390617961 488170024 /nfs/dbraw/zinc/17/00/24/488170024.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 2 1 230.352 0.144 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000230896191 488170419 /nfs/dbraw/zinc/17/04/19/488170419.db2.gz WAFCIAGJDXZSOC-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000230896193 488170557 /nfs/dbraw/zinc/17/05/57/488170557.db2.gz WAFCIAGJDXZSOC-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477077 488186757 /nfs/dbraw/zinc/18/67/57/488186757.db2.gz OVVXFTIPXBBPFR-LLVKDONJSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000167786520 488188023 /nfs/dbraw/zinc/18/80/23/488188023.db2.gz DIQPVAQWDDUPCS-LBPRGKRZSA-N 2 1 212.337 0.926 20 0 BCADMP CC[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398050326 488197782 /nfs/dbraw/zinc/19/77/82/488197782.db2.gz ABSHJVJUDUZYHY-UHFFFAOYSA-N 2 1 211.309 0.032 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000398051522 488197732 /nfs/dbraw/zinc/19/77/32/488197732.db2.gz DNTYCZABSOMGKO-QWRGUYRKSA-N 2 1 237.347 0.611 20 0 BCADMP C[N@@H+](CCNC(=O)CC1([NH3+])CC1)C1CCCC1 ZINC000398059488 488201424 /nfs/dbraw/zinc/20/14/24/488201424.db2.gz FJWXGBVEAHYKPK-UHFFFAOYSA-N 2 1 239.363 0.858 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1C ZINC000398073945 488207724 /nfs/dbraw/zinc/20/77/24/488207724.db2.gz AVAUGHRBQPFWQP-ZJUUUORDSA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398156779 488212998 /nfs/dbraw/zinc/21/29/98/488212998.db2.gz PHTRXOWCQWGCBR-UHFFFAOYSA-N 2 1 213.325 0.324 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399089751 488226986 /nfs/dbraw/zinc/22/69/86/488226986.db2.gz WAKFPZNNVJBETD-NEPJUHHUSA-N 2 1 239.363 0.714 20 0 BCADMP c1cc2n(n1)C[C@H](C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202698 488276111 /nfs/dbraw/zinc/27/61/11/488276111.db2.gz XUKIOGYQOKAFRY-SDDRHHMPSA-N 2 1 247.346 0.076 20 0 BCADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673660822 488301713 /nfs/dbraw/zinc/30/17/13/488301713.db2.gz DWQFGDLXTGKQKB-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000684396129 488305819 /nfs/dbraw/zinc/30/58/19/488305819.db2.gz SZKCOJIZHBMQSS-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000684396129 488305820 /nfs/dbraw/zinc/30/58/20/488305820.db2.gz SZKCOJIZHBMQSS-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP C[N@@H+]1CCC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000653112253 490122473 /nfs/dbraw/zinc/12/24/73/490122473.db2.gz SDOHVSGLJRGHFM-MRVPVSSYSA-N 2 1 235.278 0.181 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000653112253 490122476 /nfs/dbraw/zinc/12/24/76/490122476.db2.gz SDOHVSGLJRGHFM-MRVPVSSYSA-N 2 1 235.278 0.181 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000078695461 490217761 /nfs/dbraw/zinc/21/77/61/490217761.db2.gz LXQMPFTVTBNKOA-UWVGGRQHSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000571651588 490286405 /nfs/dbraw/zinc/28/64/05/490286405.db2.gz IWCSREUSSNZYOZ-SFYZADRCSA-N 2 1 235.278 0.166 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000083913568 490344854 /nfs/dbraw/zinc/34/48/54/490344854.db2.gz RUPBKKZHPWDJAC-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1C ZINC000125480298 490437172 /nfs/dbraw/zinc/43/71/72/490437172.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@H]1OCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300424658 490561684 /nfs/dbraw/zinc/56/16/84/490561684.db2.gz ZELUUIXCHOTXIG-LPWJVIDDSA-N 2 1 242.363 0.599 20 0 BCADMP O[C@@H](C[NH2+]CCOCC1CC1)C[NH+]1CCCC1 ZINC000236526940 491072013 /nfs/dbraw/zinc/07/20/13/491072013.db2.gz ZKSQVALUILVZQZ-ZDUSSCGKSA-N 2 1 242.363 0.459 20 0 BCADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000049559652 491128792 /nfs/dbraw/zinc/12/87/92/491128792.db2.gz IIUHVPMDWRTBKN-RKDXNWHRSA-N 2 1 231.365 0.105 20 0 BCADMP C[C@@H]([NH2+]Cc1ncn(C)n1)C1CC[NH+](C)CC1 ZINC000222755894 491133496 /nfs/dbraw/zinc/13/34/96/491133496.db2.gz PSCDWGURAIITMH-SNVBAGLBSA-N 2 1 237.351 0.635 20 0 BCADMP C[C@@H]1C[C@H]1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000488435811 534029520 /nfs/dbraw/zinc/02/95/20/534029520.db2.gz WERCMVUOHAXMPY-NEPJUHHUSA-N 2 1 239.363 0.396 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403272 535678869 /nfs/dbraw/zinc/67/88/69/535678869.db2.gz BFDMCUGFKJVUTR-AXFHLTTASA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+]1CCN(C(=O)NCCC[NH3+])CCC1(C)C ZINC000891985402 582752755 /nfs/dbraw/zinc/75/27/55/582752755.db2.gz BOZJNICGUJLGLK-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566289 536163389 /nfs/dbraw/zinc/16/33/89/536163389.db2.gz ZBBGFLYOPPZXBJ-GMXVVIOVSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261566289 536163391 /nfs/dbraw/zinc/16/33/91/536163391.db2.gz ZBBGFLYOPPZXBJ-GMXVVIOVSA-N 2 1 241.379 0.960 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261535264 536344863 /nfs/dbraw/zinc/34/48/63/536344863.db2.gz XKSMTIDRQDKNKH-QWRGUYRKSA-N 2 1 227.352 0.300 20 0 BCADMP C[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335619752 536394822 /nfs/dbraw/zinc/39/48/22/536394822.db2.gz SJHXIKQXDUKOTC-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP O=C1OC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN12 ZINC000497098682 534816921 /nfs/dbraw/zinc/81/69/21/534816921.db2.gz LVPWBFYQILJNSM-LLVKDONJSA-N 2 1 239.319 0.122 20 0 BCADMP C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000178966649 536467696 /nfs/dbraw/zinc/46/76/96/536467696.db2.gz ZWWFSXDKWTUSOU-LLVKDONJSA-N 2 1 227.352 0.395 20 0 BCADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000309032791 527802538 /nfs/dbraw/zinc/80/25/38/527802538.db2.gz FZFFEUOCBCYWMG-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309032791 527802541 /nfs/dbraw/zinc/80/25/41/527802541.db2.gz FZFFEUOCBCYWMG-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309032791 527802546 /nfs/dbraw/zinc/80/25/46/527802546.db2.gz FZFFEUOCBCYWMG-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494689350 527821922 /nfs/dbraw/zinc/82/19/22/527821922.db2.gz HAYQJJYSVAOWPC-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494699595 528500045 /nfs/dbraw/zinc/50/00/45/528500045.db2.gz QJVWSSFZILVPQR-YUSALJHKSA-N 2 1 239.363 0.569 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494653039 528813477 /nfs/dbraw/zinc/81/34/77/528813477.db2.gz JZBDKNAAQBQKMK-NSHDSACASA-N 2 1 229.368 0.960 20 0 BCADMP CC(C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457180 529125027 /nfs/dbraw/zinc/12/50/27/529125027.db2.gz QEKTWOFVRAMBSN-MNOVXSKESA-N 2 1 227.352 0.631 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178805656 534993947 /nfs/dbraw/zinc/99/39/47/534993947.db2.gz FEFLCSMZTJTAHP-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)N(C)C ZINC000227736150 535062701 /nfs/dbraw/zinc/06/27/01/535062701.db2.gz KTHMDRYNOXTKEM-LLVKDONJSA-N 2 1 229.368 0.770 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261540001 535248210 /nfs/dbraw/zinc/24/82/10/535248210.db2.gz DMNWRIOROGESDE-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654725 535361668 /nfs/dbraw/zinc/36/16/68/535361668.db2.gz MHGYICLONDAWNK-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[NH+]1CCC([N@H+](C)CCCNC(C)=O)CC1 ZINC000348187399 535456845 /nfs/dbraw/zinc/45/68/45/535456845.db2.gz PHHYNXYLAWOHOJ-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[NH+]1CCC([N@@H+](C)CCCNC(C)=O)CC1 ZINC000348187399 535456851 /nfs/dbraw/zinc/45/68/51/535456851.db2.gz PHHYNXYLAWOHOJ-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372710 535492124 /nfs/dbraw/zinc/49/21/24/535492124.db2.gz NTTWDMRWUZMXEP-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000335299212 535509337 /nfs/dbraw/zinc/50/93/37/535509337.db2.gz GKWPUCYSRPZJRI-UHFFFAOYSA-N 2 1 242.367 0.461 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433433 535598513 /nfs/dbraw/zinc/59/85/13/535598513.db2.gz LSAZYPIATNNIAL-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@@H+](CCC(=O)OC)C[C@]1(C)CC[NH2+]C1 ZINC000262009253 535710229 /nfs/dbraw/zinc/71/02/29/535710229.db2.gz MEDGXKKWZUNGLQ-GFCCVEGCSA-N 2 1 228.336 0.871 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H](C)C1 ZINC000247976083 535768151 /nfs/dbraw/zinc/76/81/51/535768151.db2.gz KYRHHKKILKPISR-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H](C)C1 ZINC000247976083 535768154 /nfs/dbraw/zinc/76/81/54/535768154.db2.gz KYRHHKKILKPISR-RYUDHWBXSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566291 536163070 /nfs/dbraw/zinc/16/30/70/536163070.db2.gz ZBBGFLYOPPZXBJ-GVXVVHGQSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261566291 536163074 /nfs/dbraw/zinc/16/30/74/536163074.db2.gz ZBBGFLYOPPZXBJ-GVXVVHGQSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH+]1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000349384836 536343383 /nfs/dbraw/zinc/34/33/83/536343383.db2.gz PSQIWYHHNXQZCC-UHFFFAOYSA-N 2 1 241.379 0.393 20 0 BCADMP CNC(=O)[C@@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261573424 536371831 /nfs/dbraw/zinc/37/18/31/536371831.db2.gz IUPNSEAZBJMACK-NSHDSACASA-N 2 1 213.325 0.182 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000178747681 536461221 /nfs/dbraw/zinc/46/12/21/536461221.db2.gz ZVWQOISAAQRFTK-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219925057 536462477 /nfs/dbraw/zinc/46/24/77/536462477.db2.gz UQXFLEHCHIZRGR-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP COCCOC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000893313867 583097852 /nfs/dbraw/zinc/09/78/52/583097852.db2.gz JINBUZWEGDXPEH-UHFFFAOYSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000853248081 588729001 /nfs/dbraw/zinc/72/90/01/588729001.db2.gz AJZBTXKCPRDKRJ-VIFPVBQESA-N 2 1 229.324 0.415 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000854232821 588781516 /nfs/dbraw/zinc/78/15/16/588781516.db2.gz UZEGEXYMIKZZSL-SNVBAGLBSA-N 2 1 228.336 0.870 20 0 BCADMP C[C@H](CC[N@@H+](C)CCCO)[NH+](C)CCCO ZINC000440943597 582497088 /nfs/dbraw/zinc/49/70/88/582497088.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@H](CC[NH+](C)CCCO)[N@H+](C)CCCO ZINC000440943597 582497090 /nfs/dbraw/zinc/49/70/90/582497090.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP C[C@H](CC[NH+](C)CCCO)[N@@H+](C)CCCO ZINC000440943597 582497091 /nfs/dbraw/zinc/49/70/91/582497091.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP C[N@H+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1(C)C ZINC000892033855 582767332 /nfs/dbraw/zinc/76/73/32/582767332.db2.gz JGGCFUQSVABNBL-UHFFFAOYSA-N 2 1 242.367 0.459 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000892045211 582772672 /nfs/dbraw/zinc/77/26/72/582772672.db2.gz RJKDCAHFPWGGOJ-JTQLQIEISA-N 2 1 242.367 0.317 20 0 BCADMP CN1CC[N@H+](CC2CC[NH+](C)CC2)CC1=O ZINC000892058937 582778811 /nfs/dbraw/zinc/77/88/11/582778811.db2.gz OAILSSSYVWURLB-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)CC1=O ZINC000892058937 582778815 /nfs/dbraw/zinc/77/88/15/582778815.db2.gz OAILSSSYVWURLB-UHFFFAOYSA-N 2 1 225.336 0.102 20 0 BCADMP COC(=O)C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892216151 582808427 /nfs/dbraw/zinc/80/84/27/582808427.db2.gz HDQLZTADJXVTAN-UHFFFAOYSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892216151 582808429 /nfs/dbraw/zinc/80/84/29/582808429.db2.gz HDQLZTADJXVTAN-UHFFFAOYSA-N 2 1 240.347 0.966 20 0 BCADMP CCNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000848987620 582818147 /nfs/dbraw/zinc/81/81/47/582818147.db2.gz LDROQICYXVWCRO-JTQLQIEISA-N 2 1 212.341 0.852 20 0 BCADMP CCNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000848987621 582818663 /nfs/dbraw/zinc/81/86/63/582818663.db2.gz LDROQICYXVWCRO-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000848993214 582819616 /nfs/dbraw/zinc/81/96/16/582819616.db2.gz JPOKXPCYBBAGDD-UHFFFAOYSA-N 2 1 228.340 0.185 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614507 582929851 /nfs/dbraw/zinc/92/98/51/582929851.db2.gz QWBAFPOKXFTCOO-PWSUYJOCSA-N 2 1 228.336 0.869 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000892947249 583016473 /nfs/dbraw/zinc/01/64/73/583016473.db2.gz ZZJKBSDDGKYXIP-ZYHUDNBSSA-N 2 1 228.336 0.869 20 0 BCADMP Cc1cc(N)nc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000893265480 583080700 /nfs/dbraw/zinc/08/07/00/583080700.db2.gz LHBVXLASJXDQDA-SECBINFHSA-N 2 1 244.302 0.991 20 0 BCADMP CCn1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000857085403 588886436 /nfs/dbraw/zinc/88/64/36/588886436.db2.gz CNSBLQGTHGHEJL-TXEJJXNPSA-N 2 1 249.362 0.729 20 0 BCADMP CCn1ncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000857084406 588886556 /nfs/dbraw/zinc/88/65/56/588886556.db2.gz RRKZQHJLNFNJRA-JTQLQIEISA-N 2 1 237.351 0.857 20 0 BCADMP C[C@@H]1C(=O)N(C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893713337 583210745 /nfs/dbraw/zinc/21/07/45/583210745.db2.gz XKMNRHYJSLNIGJ-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CCn1ncc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000857084507 588886369 /nfs/dbraw/zinc/88/63/69/588886369.db2.gz UOPILPMCKFYBTA-UHFFFAOYSA-N 2 1 223.324 0.469 20 0 BCADMP COCCC[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000893883154 583241211 /nfs/dbraw/zinc/24/12/11/583241211.db2.gz KORRGYBIKHLXJJ-UHFFFAOYSA-N 2 1 244.379 0.659 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000893888572 583243987 /nfs/dbraw/zinc/24/39/87/583243987.db2.gz KCDFASLAQIKBFM-OLZOCXBDSA-N 2 1 224.348 0.642 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000894279465 583407527 /nfs/dbraw/zinc/40/75/27/583407527.db2.gz DOLDOXANAHVJSM-LBPRGKRZSA-N 2 1 230.327 0.735 20 0 BCADMP C[NH+]1CCC(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000894585819 583489396 /nfs/dbraw/zinc/48/93/96/583489396.db2.gz QFMAWQYCLJOWNL-ITGUQSILSA-N 2 1 224.348 0.498 20 0 BCADMP CC(=O)N[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894973553 583561746 /nfs/dbraw/zinc/56/17/46/583561746.db2.gz UMQUOSJBTUOCBM-CYBMUJFWSA-N 2 1 239.363 0.539 20 0 BCADMP Cc1cc(N)nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000895021697 583569605 /nfs/dbraw/zinc/56/96/05/583569605.db2.gz IMJGWKCJCCDHOU-WDEREUQCSA-N 2 1 247.346 0.898 20 0 BCADMP CC[N@@H+]1CC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000895160440 583609735 /nfs/dbraw/zinc/60/97/35/583609735.db2.gz MHUYZFLEJKFBIR-SECBINFHSA-N 2 1 221.308 0.873 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000895160440 583609737 /nfs/dbraw/zinc/60/97/37/583609737.db2.gz MHUYZFLEJKFBIR-SECBINFHSA-N 2 1 221.308 0.873 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCc3nn[nH]c3C2)CC1 ZINC000895473855 583679341 /nfs/dbraw/zinc/67/93/41/583679341.db2.gz SVDPKMUQLCVITF-UHFFFAOYSA-N 2 1 235.335 0.505 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000883440553 583812472 /nfs/dbraw/zinc/81/24/72/583812472.db2.gz SZRFTMZTLSJOSN-STQMWFEESA-N 2 1 234.347 0.789 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000896667630 583821906 /nfs/dbraw/zinc/82/19/06/583821906.db2.gz JOVSNKZHUWBVRA-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000896667630 583821908 /nfs/dbraw/zinc/82/19/08/583821908.db2.gz JOVSNKZHUWBVRA-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000896667630 583821909 /nfs/dbraw/zinc/82/19/09/583821909.db2.gz JOVSNKZHUWBVRA-SRVKXCTJSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+]CC[S@](C)=O)CC1(C)C ZINC000858139958 588934821 /nfs/dbraw/zinc/93/48/21/588934821.db2.gz VRSOKWPUMKPVBA-BMIGLBTASA-N 2 1 232.393 0.827 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CC[S@](C)=O)CC1(C)C ZINC000858139958 588934823 /nfs/dbraw/zinc/93/48/23/588934823.db2.gz VRSOKWPUMKPVBA-BMIGLBTASA-N 2 1 232.393 0.827 20 0 BCADMP Cc1nc(CNC(=O)C[N@H+](C)C(C)C)[nH]c1C ZINC000896924058 583858760 /nfs/dbraw/zinc/85/87/60/583858760.db2.gz UACCMFYPFVYZHG-UHFFFAOYSA-N 2 1 238.335 0.983 20 0 BCADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897287935 583910429 /nfs/dbraw/zinc/91/04/29/583910429.db2.gz NOKOBPCFXUYQQI-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH+]1C ZINC000897287935 583910430 /nfs/dbraw/zinc/91/04/30/583910430.db2.gz NOKOBPCFXUYQQI-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897287935 583910432 /nfs/dbraw/zinc/91/04/32/583910432.db2.gz NOKOBPCFXUYQQI-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000897287935 583910434 /nfs/dbraw/zinc/91/04/34/583910434.db2.gz NOKOBPCFXUYQQI-SRVKXCTJSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000897287934 583910714 /nfs/dbraw/zinc/91/07/14/583910714.db2.gz NOKOBPCFXUYQQI-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[NH+]1C ZINC000897287934 583910716 /nfs/dbraw/zinc/91/07/16/583910716.db2.gz NOKOBPCFXUYQQI-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897287934 583910717 /nfs/dbraw/zinc/91/07/17/583910717.db2.gz NOKOBPCFXUYQQI-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897287934 583910719 /nfs/dbraw/zinc/91/07/19/583910719.db2.gz NOKOBPCFXUYQQI-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP O[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872141059 583947816 /nfs/dbraw/zinc/94/78/16/583947816.db2.gz JLUAMZFODFUSIP-YVECIDJPSA-N 2 1 240.347 0.353 20 0 BCADMP C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC000897896118 584058539 /nfs/dbraw/zinc/05/85/39/584058539.db2.gz NJOJXAFQIBQQHE-JTQLQIEISA-N 2 1 225.336 0.339 20 0 BCADMP CON(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858431231 588954165 /nfs/dbraw/zinc/95/41/65/588954165.db2.gz RNKWKGOHUNYDMD-NSHDSACASA-N 2 1 229.368 0.942 20 0 BCADMP OCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000858481830 588959226 /nfs/dbraw/zinc/95/92/26/588959226.db2.gz LEPPBFKZYGQRRV-CYBMUJFWSA-N 2 1 249.314 0.095 20 0 BCADMP OCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000858481830 588959227 /nfs/dbraw/zinc/95/92/27/588959227.db2.gz LEPPBFKZYGQRRV-CYBMUJFWSA-N 2 1 249.314 0.095 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898598890 584144702 /nfs/dbraw/zinc/14/47/02/584144702.db2.gz FPPMWUQQIXNJRB-LBPRGKRZSA-N 2 1 237.347 0.387 20 0 BCADMP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000899266322 584189309 /nfs/dbraw/zinc/18/93/09/584189309.db2.gz RLRUKPITYQIQAP-VHSXEESVSA-N 2 1 224.352 0.851 20 0 BCADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)C2CC2)CC1 ZINC000899909404 584249520 /nfs/dbraw/zinc/24/95/20/584249520.db2.gz BGPWIWWUYIDKBQ-GFCCVEGCSA-N 2 1 224.348 0.927 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899909635 584250754 /nfs/dbraw/zinc/25/07/54/584250754.db2.gz FWALQQWNWVDECT-LLVKDONJSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@@H+](CC(=O)NCC[NH+]1CCCC1)C1CCC1 ZINC000900011569 584266279 /nfs/dbraw/zinc/26/62/79/584266279.db2.gz VGSZDGSWBVEJOA-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371975 584298491 /nfs/dbraw/zinc/29/84/91/584298491.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 1 234.303 0.305 20 0 BCADMP O=C(Cc1cnc[nH]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371975 584298492 /nfs/dbraw/zinc/29/84/92/584298492.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 1 234.303 0.305 20 0 BCADMP O=C(Cc1cnc[nH]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371975 584298495 /nfs/dbraw/zinc/29/84/95/584298495.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 1 234.303 0.305 20 0 BCADMP CN(C(=O)Cc1cnc[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000900830214 584354988 /nfs/dbraw/zinc/35/49/88/584354988.db2.gz NYFSEYRICHYQHT-NSHDSACASA-N 2 1 236.319 0.505 20 0 BCADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000900847760 584356859 /nfs/dbraw/zinc/35/68/59/584356859.db2.gz PVTXQGCNKYQQCN-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000900847760 584356861 /nfs/dbraw/zinc/35/68/61/584356861.db2.gz PVTXQGCNKYQQCN-NSHDSACASA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000900847757 584356923 /nfs/dbraw/zinc/35/69/23/584356923.db2.gz PVTXQGCNKYQQCN-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000900847757 584356925 /nfs/dbraw/zinc/35/69/25/584356925.db2.gz PVTXQGCNKYQQCN-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000901306356 584420091 /nfs/dbraw/zinc/42/00/91/584420091.db2.gz JZCGHJOQKREARC-UTUOFQBUSA-N 2 1 241.379 0.878 20 0 BCADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000902409211 584575602 /nfs/dbraw/zinc/57/56/02/584575602.db2.gz JLHDVYZPUUKRMG-HBNTYKKESA-N 2 1 209.337 0.455 20 0 BCADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391720 584582716 /nfs/dbraw/zinc/58/27/16/584582716.db2.gz ZGRHNVCJSUAQGS-NSHDSACASA-N 3 1 213.369 0.964 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393237 584583675 /nfs/dbraw/zinc/58/36/75/584583675.db2.gz NXECPNPGETYBMF-GHMZBOCLSA-N 3 1 213.369 0.949 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000902394298 584584110 /nfs/dbraw/zinc/58/41/10/584584110.db2.gz UPPZYNJZCZDJJC-RYUDHWBXSA-N 2 1 241.379 0.343 20 0 BCADMP C[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000902403597 584587955 /nfs/dbraw/zinc/58/79/55/584587955.db2.gz ADXBKRRBSLLXCP-SDDRHHMPSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[C@H](NCC2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000902415583 584589735 /nfs/dbraw/zinc/58/97/35/584589735.db2.gz JILNTKMGHPVPGA-ZJUUUORDSA-N 2 1 209.337 0.693 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCCON)CC[N@H+]1C ZINC000902420519 584592358 /nfs/dbraw/zinc/59/23/58/584592358.db2.gz XZCMAXTYXXSWEF-NXEZZACHSA-N 2 1 201.314 0.339 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902476195 584602929 /nfs/dbraw/zinc/60/29/29/584602929.db2.gz NLKJPCZADBFBGI-WRWGMCAJSA-N 2 1 210.321 0.894 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451323 584606657 /nfs/dbraw/zinc/60/66/57/584606657.db2.gz WKKZGSJDROUPKC-VWYCJHECSA-N 2 1 211.353 0.524 20 0 BCADMP C[C@@H](NCC[N@H+]1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455105 584609252 /nfs/dbraw/zinc/60/92/52/584609252.db2.gz IVBLSBYTFKBULT-LLVKDONJSA-N 2 1 225.380 0.916 20 0 BCADMP Cn1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000902461007 584611396 /nfs/dbraw/zinc/61/13/96/584611396.db2.gz KIOLXTXMYLXIPX-NXEZZACHSA-N 2 1 208.309 0.780 20 0 BCADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462388 584612625 /nfs/dbraw/zinc/61/26/25/584612625.db2.gz VNLUXSMFYWQZSE-FDFVQJQPSA-N 2 1 235.375 0.857 20 0 BCADMP C1C[C@@H]2N[C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462388 584612626 /nfs/dbraw/zinc/61/26/26/584612626.db2.gz VNLUXSMFYWQZSE-FDFVQJQPSA-N 2 1 235.375 0.857 20 0 BCADMP C[C@@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902505451 584621558 /nfs/dbraw/zinc/62/15/58/584621558.db2.gz SNTYQUOOLYMMPR-USWWRNFRSA-N 2 1 212.337 0.878 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902487183 584625981 /nfs/dbraw/zinc/62/59/81/584625981.db2.gz JKOFUNPLSSFXBF-GWOFURMSSA-N 2 1 209.337 0.583 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000902489542 584627277 /nfs/dbraw/zinc/62/72/77/584627277.db2.gz RBMJDPWAGKHHEM-FIQHERPVSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H](N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000902489542 584627279 /nfs/dbraw/zinc/62/72/79/584627279.db2.gz RBMJDPWAGKHHEM-FIQHERPVSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000902488905 584627605 /nfs/dbraw/zinc/62/76/05/584627605.db2.gz OFDJXQRAILZUOF-DCAQKATOSA-N 2 1 209.337 0.598 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903422361 584764316 /nfs/dbraw/zinc/76/43/16/584764316.db2.gz ZWZKNYUDLFAFTO-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903422361 584764318 /nfs/dbraw/zinc/76/43/18/584764318.db2.gz ZWZKNYUDLFAFTO-WOPDTQHZSA-N 3 1 211.353 0.513 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423033 584764564 /nfs/dbraw/zinc/76/45/64/584764564.db2.gz NPSFXXQKNQSDSD-UTUOFQBUSA-N 3 1 211.353 0.383 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423033 584764565 /nfs/dbraw/zinc/76/45/65/584764565.db2.gz NPSFXXQKNQSDSD-UTUOFQBUSA-N 3 1 211.353 0.383 20 0 BCADMP CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000903458716 584765104 /nfs/dbraw/zinc/76/51/04/584765104.db2.gz HYGQAKZGPGJUKF-VWYCJHECSA-N 2 1 241.335 0.065 20 0 BCADMP CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000903458716 584765106 /nfs/dbraw/zinc/76/51/06/584765106.db2.gz HYGQAKZGPGJUKF-VWYCJHECSA-N 2 1 241.335 0.065 20 0 BCADMP N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903459881 584766505 /nfs/dbraw/zinc/76/65/05/584766505.db2.gz PPKWDBVSPZTUFX-IRCOFANPSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447327 584770526 /nfs/dbraw/zinc/77/05/26/584770526.db2.gz OKUHIPSJKSECEI-QMVSFRDZSA-N 3 1 237.391 0.901 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903449858 584771048 /nfs/dbraw/zinc/77/10/48/584771048.db2.gz IWVNRENEQWVBSP-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450323 584772056 /nfs/dbraw/zinc/77/20/56/584772056.db2.gz UDKYMXYGYXTGSF-QWRGUYRKSA-N 2 1 241.335 0.210 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000903453545 584772811 /nfs/dbraw/zinc/77/28/11/584772811.db2.gz BCGQAWZHDGWSDZ-QNWHQSFQSA-N 2 1 223.364 0.940 20 0 BCADMP C[N@@H+](CCN1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454906 584773277 /nfs/dbraw/zinc/77/32/77/584773277.db2.gz NKUVMWSNJWKCNR-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903464659 584773515 /nfs/dbraw/zinc/77/35/15/584773515.db2.gz VJDMRNRMDRHVEW-WYUUTHIRSA-N 2 1 240.347 0.725 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000903455553 584774182 /nfs/dbraw/zinc/77/41/82/584774182.db2.gz ZTLUOGGIQYTYTJ-NDBYEHHHSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000903455553 584774183 /nfs/dbraw/zinc/77/41/83/584774183.db2.gz ZTLUOGGIQYTYTJ-NDBYEHHHSA-N 2 1 225.380 0.866 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000903455553 584774184 /nfs/dbraw/zinc/77/41/84/584774184.db2.gz ZTLUOGGIQYTYTJ-NDBYEHHHSA-N 2 1 225.380 0.866 20 0 BCADMP COC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456690 584774200 /nfs/dbraw/zinc/77/42/00/584774200.db2.gz IXWFPKSULUJNRC-QNWHQSFQSA-N 2 1 242.363 0.850 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457080 584774259 /nfs/dbraw/zinc/77/42/59/584774259.db2.gz MUGCSQLONONTBL-MNOVXSKESA-N 2 1 227.352 0.572 20 0 BCADMP Cn1c[nH+]cc1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000903472266 584776108 /nfs/dbraw/zinc/77/61/08/584776108.db2.gz QJCGIGOTQOTSFG-LBPRGKRZSA-N 2 1 234.347 0.837 20 0 BCADMP c1nc2n(n1)[C@@H](C[NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000903472588 584776394 /nfs/dbraw/zinc/77/63/94/584776394.db2.gz SSLHMTJTNCSIKC-GHMZBOCLSA-N 2 1 247.346 0.640 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475912 584776937 /nfs/dbraw/zinc/77/69/37/584776937.db2.gz HSOYLOYNGQCCNG-LOWDOPEQSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475912 584776938 /nfs/dbraw/zinc/77/69/38/584776938.db2.gz HSOYLOYNGQCCNG-LOWDOPEQSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000903476119 584777110 /nfs/dbraw/zinc/77/71/10/584777110.db2.gz NZXLLCIFILMEQR-YIYPIFLZSA-N 2 1 237.391 0.868 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481686 584778111 /nfs/dbraw/zinc/77/81/11/584778111.db2.gz JVAZGKGDTQTQNC-WOPDTQHZSA-N 2 1 241.379 0.946 20 0 BCADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481498 584778177 /nfs/dbraw/zinc/77/81/77/584778177.db2.gz DQMRJQVQIWUCKE-YVECIDJPSA-N 2 1 242.363 0.850 20 0 BCADMP CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482921 584778664 /nfs/dbraw/zinc/77/86/64/584778664.db2.gz YQQHHXBSIUILIU-LMLFDSFASA-N 2 1 211.353 0.829 20 0 BCADMP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903498363 584780035 /nfs/dbraw/zinc/78/00/35/584780035.db2.gz DXPMYQMGNDBXKN-GHMZBOCLSA-N 2 1 237.351 0.715 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494307 584780924 /nfs/dbraw/zinc/78/09/24/584780924.db2.gz BOAAAEKTUWGPDE-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP Cc1nc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903491055 584781008 /nfs/dbraw/zinc/78/10/08/584781008.db2.gz SZIKUKRUGHMZDG-MNOVXSKESA-N 2 1 236.319 0.777 20 0 BCADMP Cc1nc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903491055 584781010 /nfs/dbraw/zinc/78/10/10/584781010.db2.gz SZIKUKRUGHMZDG-MNOVXSKESA-N 2 1 236.319 0.777 20 0 BCADMP C[NH2+]CCOCC[N@H+](C)Cc1cncn1C ZINC000629569837 584781510 /nfs/dbraw/zinc/78/15/10/584781510.db2.gz FYZJFKKEESSKKX-UHFFFAOYSA-N 2 1 226.324 0.088 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)Cc1cncn1C ZINC000629569837 584781511 /nfs/dbraw/zinc/78/15/11/584781511.db2.gz FYZJFKKEESSKKX-UHFFFAOYSA-N 2 1 226.324 0.088 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000903570045 584783546 /nfs/dbraw/zinc/78/35/46/584783546.db2.gz QFGQTTMZWZBUBP-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000903570045 584783547 /nfs/dbraw/zinc/78/35/47/584783547.db2.gz QFGQTTMZWZBUBP-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716542 584791630 /nfs/dbraw/zinc/79/16/30/584791630.db2.gz OPTYMLYEQAUGHK-XQQFMLRXSA-N 3 1 239.363 0.036 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716413 584791769 /nfs/dbraw/zinc/79/17/69/584791769.db2.gz MOGABGYLDVHWRL-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716413 584791770 /nfs/dbraw/zinc/79/17/70/584791770.db2.gz MOGABGYLDVHWRL-NWDGAFQWSA-N 3 1 211.353 0.657 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731801 584792695 /nfs/dbraw/zinc/79/26/95/584792695.db2.gz CRXQWCKDSUGDSR-UPJWGTAASA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729719 584792983 /nfs/dbraw/zinc/79/29/83/584792983.db2.gz RHFQPHXWUQSNFW-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP CO[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731794 584793251 /nfs/dbraw/zinc/79/32/51/584793251.db2.gz CRXQWCKDSUGDSR-FRRDWIJNSA-N 2 1 240.347 0.476 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903745894 584794314 /nfs/dbraw/zinc/79/43/14/584794314.db2.gz BMEDEAPOWAUYDV-LOWVWBTDSA-N 2 1 240.347 0.856 20 0 BCADMP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]C)CC1 ZINC000903715974 584794353 /nfs/dbraw/zinc/79/43/53/584794353.db2.gz DHDZSLUNEBBIBQ-CMPLNLGQSA-N 2 1 240.347 0.869 20 0 BCADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753066 584796147 /nfs/dbraw/zinc/79/61/47/584796147.db2.gz ZOMZHRSFTHTGBK-AVGNSLFASA-N 2 1 240.347 0.212 20 0 BCADMP COCC(COC)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903761340 584797048 /nfs/dbraw/zinc/79/70/48/584797048.db2.gz QDRMEHSLEXFSGT-UHFFFAOYSA-N 2 1 228.336 0.476 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903770086 584798183 /nfs/dbraw/zinc/79/81/83/584798183.db2.gz SKOZXAOBXOREFY-LBPRGKRZSA-N 3 1 229.368 0.283 20 0 BCADMP CN(CCOCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903770086 584798184 /nfs/dbraw/zinc/79/81/84/584798184.db2.gz SKOZXAOBXOREFY-LBPRGKRZSA-N 2 1 229.368 0.283 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755423 584798581 /nfs/dbraw/zinc/79/85/81/584798581.db2.gz GYRVHRMEWKGYSM-QWHCGFSZSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776551 584799128 /nfs/dbraw/zinc/79/91/28/584799128.db2.gz UNKDGOJKVULRKA-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776551 584799129 /nfs/dbraw/zinc/79/91/29/584799129.db2.gz UNKDGOJKVULRKA-FRRDWIJNSA-N 3 1 225.380 0.903 20 0 BCADMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903785488 584800204 /nfs/dbraw/zinc/80/02/04/584800204.db2.gz ZABCUYBIUKSADP-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806640 584802995 /nfs/dbraw/zinc/80/29/95/584802995.db2.gz ZAVWZBCUMHRRKV-UTUOFQBUSA-N 2 1 244.404 0.914 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806640 584802997 /nfs/dbraw/zinc/80/29/97/584802997.db2.gz ZAVWZBCUMHRRKV-UTUOFQBUSA-N 2 1 244.404 0.914 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805466 584803013 /nfs/dbraw/zinc/80/30/13/584803013.db2.gz OGDMLKLAINQXOA-WOPDTQHZSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805466 584803014 /nfs/dbraw/zinc/80/30/14/584803014.db2.gz OGDMLKLAINQXOA-WOPDTQHZSA-N 2 1 228.336 0.197 20 0 BCADMP C[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819913 584803234 /nfs/dbraw/zinc/80/32/34/584803234.db2.gz QCESVXVHSVMBSX-LLVKDONJSA-N 2 1 228.336 0.212 20 0 BCADMP C[C@]12C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827166 584805127 /nfs/dbraw/zinc/80/51/27/584805127.db2.gz PNOQSCQFTVFWKU-NIWXFNQGSA-N 2 1 248.370 0.981 20 0 BCADMP C[C@@H]1CSCCC[N@H+]1CCOCC[NH3+] ZINC000903830080 584805264 /nfs/dbraw/zinc/80/52/64/584805264.db2.gz SBSHXBONWSRVRL-SNVBAGLBSA-N 2 1 218.366 0.789 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829599 584805472 /nfs/dbraw/zinc/80/54/72/584805472.db2.gz IDNPGNGKQBRHPT-QJPTWQEYSA-N 2 1 240.347 0.474 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@@H]2CCO)C1 ZINC000903830195 584805766 /nfs/dbraw/zinc/80/57/66/584805766.db2.gz VWUZOLPOGUVWRE-TUAOUCFPSA-N 2 1 228.336 0.197 20 0 BCADMP C[C@@H]1CCOCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903831325 584805773 /nfs/dbraw/zinc/80/57/73/584805773.db2.gz IFCLWJUEOUENPL-GFCCVEGCSA-N 2 1 227.352 0.002 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@H]2CCO)C1 ZINC000903830194 584805830 /nfs/dbraw/zinc/80/58/30/584805830.db2.gz VWUZOLPOGUVWRE-QJPTWQEYSA-N 2 1 228.336 0.197 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1=O ZINC000903854187 584808752 /nfs/dbraw/zinc/80/87/52/584808752.db2.gz IVVGZVIRDNBDBU-GXTWGEPZSA-N 2 1 247.342 0.699 20 0 BCADMP Cn1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1=O ZINC000903854187 584808753 /nfs/dbraw/zinc/80/87/53/584808753.db2.gz IVVGZVIRDNBDBU-GXTWGEPZSA-N 2 1 247.342 0.699 20 0 BCADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCn1cccn1 ZINC000903855374 584809124 /nfs/dbraw/zinc/80/91/24/584809124.db2.gz MOSOISJSQAUYEQ-RYUDHWBXSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCn1cccn1 ZINC000903855374 584809125 /nfs/dbraw/zinc/80/91/25/584809125.db2.gz MOSOISJSQAUYEQ-RYUDHWBXSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCn1cccn1 ZINC000903855374 584809126 /nfs/dbraw/zinc/80/91/26/584809126.db2.gz MOSOISJSQAUYEQ-RYUDHWBXSA-N 2 1 220.320 0.696 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCc1cn[nH]c1 ZINC000903859367 584810776 /nfs/dbraw/zinc/81/07/76/584810776.db2.gz MVFUHHIJTURRJK-RYUDHWBXSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCc1cn[nH]c1 ZINC000903859367 584810777 /nfs/dbraw/zinc/81/07/77/584810777.db2.gz MVFUHHIJTURRJK-RYUDHWBXSA-N 2 1 220.320 0.765 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858937 584811234 /nfs/dbraw/zinc/81/12/34/584811234.db2.gz KINLJNNOEFMUST-AAEUAGOBSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858937 584811236 /nfs/dbraw/zinc/81/12/36/584811236.db2.gz KINLJNNOEFMUST-AAEUAGOBSA-N 2 1 234.347 0.776 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860016 584811636 /nfs/dbraw/zinc/81/16/36/584811636.db2.gz PXNZTPCDGMECBJ-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860016 584811637 /nfs/dbraw/zinc/81/16/37/584811637.db2.gz PXNZTPCDGMECBJ-CMPLNLGQSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860018 584811893 /nfs/dbraw/zinc/81/18/93/584811893.db2.gz PXNZTPCDGMECBJ-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860018 584811894 /nfs/dbraw/zinc/81/18/94/584811894.db2.gz PXNZTPCDGMECBJ-PWSUYJOCSA-N 2 1 225.336 0.278 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863537 584813209 /nfs/dbraw/zinc/81/32/09/584813209.db2.gz NGAAGTSEJWOWSW-ZDUSSCGKSA-N 3 1 223.364 0.814 20 0 BCADMP C(C1CC[NH2+]CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903863537 584813211 /nfs/dbraw/zinc/81/32/11/584813211.db2.gz NGAAGTSEJWOWSW-ZDUSSCGKSA-N 2 1 223.364 0.814 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864698 584813354 /nfs/dbraw/zinc/81/33/54/584813354.db2.gz VTLQPFWAVUEKFQ-AGIUHOORSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864698 584813355 /nfs/dbraw/zinc/81/33/55/584813355.db2.gz VTLQPFWAVUEKFQ-AGIUHOORSA-N 2 1 242.363 0.587 20 0 BCADMP N[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873955 584815907 /nfs/dbraw/zinc/81/59/07/584815907.db2.gz OUYSKULKYSEXDX-FOIKRFTLSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873955 584815908 /nfs/dbraw/zinc/81/59/08/584815908.db2.gz OUYSKULKYSEXDX-FOIKRFTLSA-N 2 1 223.364 0.940 20 0 BCADMP N[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873956 584815915 /nfs/dbraw/zinc/81/59/15/584815915.db2.gz OUYSKULKYSEXDX-HYWTVENDSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+][C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873956 584815916 /nfs/dbraw/zinc/81/59/16/584815916.db2.gz OUYSKULKYSEXDX-HYWTVENDSA-N 2 1 223.364 0.940 20 0 BCADMP CCC[N@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903876993 584816440 /nfs/dbraw/zinc/81/64/40/584816440.db2.gz JRRYJAJTSXZTTK-QMMMGPOBSA-N 2 1 210.268 0.673 20 0 BCADMP CC[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879353 584817163 /nfs/dbraw/zinc/81/71/63/584817163.db2.gz ZGNFAKNHJCSBDD-LLVKDONJSA-N 2 1 224.352 0.798 20 0 BCADMP COC[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000903881249 584817756 /nfs/dbraw/zinc/81/77/56/584817756.db2.gz PHDXCOSXEWFGEI-GFCCVEGCSA-N 2 1 229.368 0.426 20 0 BCADMP COC[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000903881249 584817758 /nfs/dbraw/zinc/81/77/58/584817758.db2.gz PHDXCOSXEWFGEI-GFCCVEGCSA-N 2 1 229.368 0.426 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903882575 584818596 /nfs/dbraw/zinc/81/85/96/584818596.db2.gz OFNCKWUQBYERRL-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914775 584819279 /nfs/dbraw/zinc/81/92/79/584819279.db2.gz WDSBODRDOHHABI-XYTAGDGMSA-N 2 1 224.348 0.972 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]([NH3+])CC(F)F ZINC000903908196 584821813 /nfs/dbraw/zinc/82/18/13/584821813.db2.gz FUSQNSIKRWWQDZ-BBBLOLIVSA-N 2 1 235.322 0.993 20 0 BCADMP [NH3+][C@@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928139 584824552 /nfs/dbraw/zinc/82/45/52/584824552.db2.gz WCLHSPWCSGLWES-SFYZADRCSA-N 2 1 247.289 0.322 20 0 BCADMP Nc1ccc2c(c1)C[N@@H+](CCC[NH3+])CCO2 ZINC000903944079 584829742 /nfs/dbraw/zinc/82/97/42/584829742.db2.gz FWIDVZPFPIXWQI-UHFFFAOYSA-N 2 1 221.304 0.812 20 0 BCADMP Nc1ccc2c(c1)C[N@H+](CCC[NH3+])CCO2 ZINC000903944079 584829743 /nfs/dbraw/zinc/82/97/43/584829743.db2.gz FWIDVZPFPIXWQI-UHFFFAOYSA-N 2 1 221.304 0.812 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951351 584830672 /nfs/dbraw/zinc/83/06/72/584830672.db2.gz WPGQUQMRBSIZJC-NEPJUHHUSA-N 2 1 249.362 0.872 20 0 BCADMP COC(=O)N[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000903953649 584831766 /nfs/dbraw/zinc/83/17/66/584831766.db2.gz ICTCIIIGRSQYIF-CMPLNLGQSA-N 2 1 241.335 0.416 20 0 BCADMP COC(=O)N[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000903953649 584831767 /nfs/dbraw/zinc/83/17/67/584831767.db2.gz ICTCIIIGRSQYIF-CMPLNLGQSA-N 2 1 241.335 0.416 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903978607 584833221 /nfs/dbraw/zinc/83/32/21/584833221.db2.gz HSRJTNKBXYHJPI-OPRDCNLKSA-N 3 1 235.322 0.804 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903963862 584833537 /nfs/dbraw/zinc/83/35/37/584833537.db2.gz IANKLUDQANPRPV-FDYHWXHSSA-N 2 1 225.380 0.914 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000903979207 584833673 /nfs/dbraw/zinc/83/36/73/584833673.db2.gz YPWFMLHQAPUHDW-FDYHWXHSSA-N 3 1 225.380 0.820 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000903964007 584833810 /nfs/dbraw/zinc/83/38/10/584833810.db2.gz DNANKJTVAOWIPA-MFKMUULPSA-N 2 1 247.342 0.731 20 0 BCADMP CCC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903964136 584834285 /nfs/dbraw/zinc/83/42/85/584834285.db2.gz MSSXQVGOILOFKX-ZYHUDNBSSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000903965178 584834620 /nfs/dbraw/zinc/83/46/20/584834620.db2.gz ZCXVBMDHERHSDI-KOLCDFICSA-N 2 1 208.309 0.365 20 0 BCADMP CCn1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964762 584834721 /nfs/dbraw/zinc/83/47/21/584834721.db2.gz QFRVCUBMBREAGX-MNOVXSKESA-N 2 1 222.336 0.848 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000903984522 584835328 /nfs/dbraw/zinc/83/53/28/584835328.db2.gz FWGVDFJMGSWUFY-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H](CN2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903984522 584835330 /nfs/dbraw/zinc/83/53/30/584835330.db2.gz FWGVDFJMGSWUFY-TUAOUCFPSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000904299804 584860579 /nfs/dbraw/zinc/86/05/79/584860579.db2.gz OSMUJEZOCOFWHM-CYBMUJFWSA-N 3 1 219.332 0.926 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904300141 584861516 /nfs/dbraw/zinc/86/15/16/584861516.db2.gz XEMIQNMORNXVQA-NXEZZACHSA-N 2 1 235.335 0.618 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904300141 584861517 /nfs/dbraw/zinc/86/15/17/584861517.db2.gz XEMIQNMORNXVQA-NXEZZACHSA-N 2 1 235.335 0.618 20 0 BCADMP C[N@@H+](Cc1ccc(N)nn1)C1CCC([NH3+])CC1 ZINC000904301285 584861564 /nfs/dbraw/zinc/86/15/64/584861564.db2.gz JPZLKCZEKVGVKK-UHFFFAOYSA-N 2 1 235.335 0.761 20 0 BCADMP CCCC[N@@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301899 584861713 /nfs/dbraw/zinc/86/17/13/584861713.db2.gz NXJINGDJJYIQIV-PHIMTYICSA-N 2 1 200.326 0.818 20 0 BCADMP C[N@H+](Cc1ccc(N)nn1)CC(C)(C)C[NH3+] ZINC000904301989 584862255 /nfs/dbraw/zinc/86/22/55/584862255.db2.gz RPKZSOBETGNDAM-UHFFFAOYSA-N 2 1 223.324 0.476 20 0 BCADMP C[N@@H+](Cc1ccc(N)nn1)CC(C)(C)C[NH3+] ZINC000904301989 584862256 /nfs/dbraw/zinc/86/22/56/584862256.db2.gz RPKZSOBETGNDAM-UHFFFAOYSA-N 2 1 223.324 0.476 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000904314431 584863391 /nfs/dbraw/zinc/86/33/91/584863391.db2.gz XDGGQVVDYRGWDZ-USZNOCQGSA-N 2 1 237.347 0.467 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000904314432 584863651 /nfs/dbraw/zinc/86/36/51/584863651.db2.gz XDGGQVVDYRGWDZ-WHOHXGKFSA-N 2 1 237.347 0.467 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000904316640 584863878 /nfs/dbraw/zinc/86/38/78/584863878.db2.gz RNHVLNHEROQOLC-LOWVWBTDSA-N 2 1 223.364 0.892 20 0 BCADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)CS(C)(=O)=O ZINC000904321319 584864081 /nfs/dbraw/zinc/86/40/81/584864081.db2.gz WKXLAZVJZDWMLV-MXWKQRLJSA-N 2 1 248.392 0.479 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)Cc2cccnc2)C1 ZINC000904316594 584864207 /nfs/dbraw/zinc/86/42/07/584864207.db2.gz QIMNWWFOFIDHPH-BETUJISGSA-N 2 1 235.331 0.613 20 0 BCADMP C[N@H+](CC(C)(CO)CO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321778 584864843 /nfs/dbraw/zinc/86/48/43/584864843.db2.gz GFEKGNTUCCVGJI-LBPRGKRZSA-N 2 1 244.379 0.299 20 0 BCADMP C[N@@H+](CC(C)(CO)CO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321778 584864844 /nfs/dbraw/zinc/86/48/44/584864844.db2.gz GFEKGNTUCCVGJI-LBPRGKRZSA-N 2 1 244.379 0.299 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327017 584865126 /nfs/dbraw/zinc/86/51/26/584865126.db2.gz XAFSXECOFIQRFC-WCQYABFASA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327018 584865180 /nfs/dbraw/zinc/86/51/80/584865180.db2.gz XAFSXECOFIQRFC-YPMHNXCESA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)CCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325216 584865294 /nfs/dbraw/zinc/86/52/94/584865294.db2.gz SWMIHTFVIJXURP-AOOOYVTPSA-N 2 1 213.325 0.182 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000904328432 584865355 /nfs/dbraw/zinc/86/53/55/584865355.db2.gz OPDJIASKRCDTBN-QNWHQSFQSA-N 2 1 240.347 0.604 20 0 BCADMP CCOCCO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904327237 584865572 /nfs/dbraw/zinc/86/55/72/584865572.db2.gz ACJKERYFCPGULR-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325997 584865629 /nfs/dbraw/zinc/86/56/29/584865629.db2.gz BGEMYYJTUAAVQX-GARJFASQSA-N 2 1 225.336 0.311 20 0 BCADMP CC(=O)N1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1 ZINC000904329681 584866024 /nfs/dbraw/zinc/86/60/24/584866024.db2.gz QLEKFDKUVIUQEO-TXEJJXNPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329071 584866148 /nfs/dbraw/zinc/86/61/48/584866148.db2.gz VBORNSOZTMVKEW-CMPLNLGQSA-N 2 1 240.351 0.119 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329071 584866149 /nfs/dbraw/zinc/86/61/49/584866149.db2.gz VBORNSOZTMVKEW-CMPLNLGQSA-N 2 1 240.351 0.119 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000904338840 584866205 /nfs/dbraw/zinc/86/62/05/584866205.db2.gz WEBCQTDPAWFDTI-YIZRAAEISA-N 2 1 220.263 0.690 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345657 584868311 /nfs/dbraw/zinc/86/83/11/584868311.db2.gz IGDKWMGYZHPLQK-KKOKHZNYSA-N 2 1 211.353 0.748 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@]23CCOC3=O)C1 ZINC000904348257 584868498 /nfs/dbraw/zinc/86/84/98/584868498.db2.gz OMFVSZSHQKRFPY-UMNHJUIQSA-N 2 1 224.304 0.505 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000904350549 584869192 /nfs/dbraw/zinc/86/91/92/584869192.db2.gz MFXJOFFXIXPEOT-TXEJJXNPSA-N 3 1 223.364 0.799 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354283 584870244 /nfs/dbraw/zinc/87/02/44/584870244.db2.gz DKXHFJOEMKNENF-UWVGGRQHSA-N 3 1 207.321 0.971 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354282 584870345 /nfs/dbraw/zinc/87/03/45/584870345.db2.gz DKXHFJOEMKNENF-NXEZZACHSA-N 3 1 207.321 0.971 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000904355153 584870695 /nfs/dbraw/zinc/87/06/95/584870695.db2.gz KHPKHRIMNMLSLV-CYBMUJFWSA-N 3 1 219.332 0.972 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000904368759 584872615 /nfs/dbraw/zinc/87/26/15/584872615.db2.gz NBBQEIVWFFYJAQ-WCQGTBRESA-N 2 1 238.331 0.404 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000904368759 584872616 /nfs/dbraw/zinc/87/26/16/584872616.db2.gz NBBQEIVWFFYJAQ-WCQGTBRESA-N 2 1 238.331 0.404 20 0 BCADMP C[C@@H](O)CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368653 584872815 /nfs/dbraw/zinc/87/28/15/584872815.db2.gz LRSVQTZYQMNVRL-QNWHQSFQSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@@H](O)C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368653 584872817 /nfs/dbraw/zinc/87/28/17/584872817.db2.gz LRSVQTZYQMNVRL-QNWHQSFQSA-N 2 1 241.379 0.111 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368653 584872819 /nfs/dbraw/zinc/87/28/19/584872819.db2.gz LRSVQTZYQMNVRL-QNWHQSFQSA-N 2 1 241.379 0.111 20 0 BCADMP COC(=O)C(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904368696 584872878 /nfs/dbraw/zinc/87/28/78/584872878.db2.gz UEZXRQOIMZQDSV-OCAPTIKFSA-N 2 1 200.282 0.265 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371332 584873053 /nfs/dbraw/zinc/87/30/53/584873053.db2.gz MSEMUFGYVAHBCE-WYUUTHIRSA-N 3 1 211.353 0.640 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N)nn1 ZINC000904374698 584873710 /nfs/dbraw/zinc/87/37/10/584873710.db2.gz UZFPIELMPVRPDE-SFYZADRCSA-N 2 1 209.297 0.274 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904372508 584874067 /nfs/dbraw/zinc/87/40/67/584874067.db2.gz DEOIVJGQNWKJHC-GMTAPVOTSA-N 2 1 249.362 0.864 20 0 BCADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904372508 584874069 /nfs/dbraw/zinc/87/40/69/584874069.db2.gz DEOIVJGQNWKJHC-GMTAPVOTSA-N 2 1 249.362 0.864 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000904388786 584874886 /nfs/dbraw/zinc/87/48/86/584874886.db2.gz BALJVDLUEYSHLS-AAEUAGOBSA-N 2 1 240.347 0.871 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904377667 584876093 /nfs/dbraw/zinc/87/60/93/584876093.db2.gz WIAFCJNDXCBCCZ-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904377667 584876094 /nfs/dbraw/zinc/87/60/94/584876094.db2.gz WIAFCJNDXCBCCZ-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP Cc1noc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904377616 584876099 /nfs/dbraw/zinc/87/60/99/584876099.db2.gz UIVXRBVSEJTWLS-DTORHVGOSA-N 2 1 210.281 0.547 20 0 BCADMP Cc1noc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904377616 584876100 /nfs/dbraw/zinc/87/61/00/584876100.db2.gz UIVXRBVSEJTWLS-DTORHVGOSA-N 2 1 210.281 0.547 20 0 BCADMP C[N@H+](C[C@@H]1COCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904377668 584876164 /nfs/dbraw/zinc/87/61/64/584876164.db2.gz WIAFCJNDXCBCCZ-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](C[C@@H]1COCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904377668 584876165 /nfs/dbraw/zinc/87/61/65/584876165.db2.gz WIAFCJNDXCBCCZ-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000904377080 584876322 /nfs/dbraw/zinc/87/63/22/584876322.db2.gz JIDFDJWXAXVZDK-WYUUTHIRSA-N 2 1 237.347 0.324 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000904377079 584876410 /nfs/dbraw/zinc/87/64/10/584876410.db2.gz JIDFDJWXAXVZDK-WISYIIOYSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379232 584876511 /nfs/dbraw/zinc/87/65/11/584876511.db2.gz RJFDCPHTXFWEGF-YFKTTZPYSA-N 2 1 210.321 0.692 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380134 584876643 /nfs/dbraw/zinc/87/66/43/584876643.db2.gz IQRQAANOVLTQTI-YFKTTZPYSA-N 3 1 209.337 0.537 20 0 BCADMP N[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380134 584876644 /nfs/dbraw/zinc/87/66/44/584876644.db2.gz IQRQAANOVLTQTI-YFKTTZPYSA-N 2 1 209.337 0.537 20 0 BCADMP N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380134 584876645 /nfs/dbraw/zinc/87/66/45/584876645.db2.gz IQRQAANOVLTQTI-YFKTTZPYSA-N 2 1 209.337 0.537 20 0 BCADMP C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380651 584876757 /nfs/dbraw/zinc/87/67/57/584876757.db2.gz FQQUXOFLGFMBRM-YPMHNXCESA-N 3 1 240.395 0.140 20 0 BCADMP C[C@@H]1CC[C@H](NC2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380651 584876758 /nfs/dbraw/zinc/87/67/58/584876758.db2.gz FQQUXOFLGFMBRM-YPMHNXCESA-N 2 1 240.395 0.140 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904380910 584876952 /nfs/dbraw/zinc/87/69/52/584876952.db2.gz PURHTEMACQRENZ-CYBMUJFWSA-N 3 1 243.395 0.544 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904380910 584876954 /nfs/dbraw/zinc/87/69/54/584876954.db2.gz PURHTEMACQRENZ-CYBMUJFWSA-N 2 1 243.395 0.544 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383912 584877196 /nfs/dbraw/zinc/87/71/96/584877196.db2.gz CWWRSAVOJZCHDX-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383912 584877197 /nfs/dbraw/zinc/87/71/97/584877197.db2.gz CWWRSAVOJZCHDX-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904381707 584877523 /nfs/dbraw/zinc/87/75/23/584877523.db2.gz SBRKRJKIIRUYLS-GFCCVEGCSA-N 3 1 229.368 0.283 20 0 BCADMP CN(CCOCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904381707 584877524 /nfs/dbraw/zinc/87/75/24/584877524.db2.gz SBRKRJKIIRUYLS-GFCCVEGCSA-N 2 1 229.368 0.283 20 0 BCADMP CC(C)([NH3+])CC[NH2+]Cc1ccc(N)nn1 ZINC000904385728 584877758 /nfs/dbraw/zinc/87/77/58/584877758.db2.gz CXONZZFUCIIAEJ-UHFFFAOYSA-N 2 1 209.297 0.276 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000904409691 584878872 /nfs/dbraw/zinc/87/88/72/584878872.db2.gz GHLKKASKIGBGAJ-WYUUTHIRSA-N 3 1 211.353 0.640 20 0 BCADMP Nc1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904407273 584879026 /nfs/dbraw/zinc/87/90/26/584879026.db2.gz SCKSREYESREWAC-MRVPVSSYSA-N 2 1 226.349 0.896 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410960 584879060 /nfs/dbraw/zinc/87/90/60/584879060.db2.gz RWSVXDQUECZGPO-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411311 584879620 /nfs/dbraw/zinc/87/96/20/584879620.db2.gz UKCLOKJQJZMKRN-OPRDCNLKSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411311 584879622 /nfs/dbraw/zinc/87/96/22/584879622.db2.gz UKCLOKJQJZMKRN-OPRDCNLKSA-N 3 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@H+](C[C@H](N)CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411311 584879624 /nfs/dbraw/zinc/87/96/24/584879624.db2.gz UKCLOKJQJZMKRN-OPRDCNLKSA-N 2 1 235.322 0.886 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](N)CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411311 584879625 /nfs/dbraw/zinc/87/96/25/584879625.db2.gz UKCLOKJQJZMKRN-OPRDCNLKSA-N 2 1 235.322 0.886 20 0 BCADMP CON(C)C(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000818940916 584998288 /nfs/dbraw/zinc/99/82/88/584998288.db2.gz KCOFIFNXQMWJQR-UHFFFAOYSA-N 2 1 229.324 0.080 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCN1CCCNC(=O)C1 ZINC000760830466 585398231 /nfs/dbraw/zinc/39/82/31/585398231.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cnnc1 ZINC000776759182 585704195 /nfs/dbraw/zinc/70/41/95/585704195.db2.gz ZVLHAQDPBQJQKG-UHFFFAOYSA-N 2 1 223.324 0.509 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cnnc1 ZINC000776763958 585705060 /nfs/dbraw/zinc/70/50/60/585705060.db2.gz UYRVNUTXHJIVNM-UHFFFAOYSA-N 2 1 234.307 0.763 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cnnc1 ZINC000776763958 585705061 /nfs/dbraw/zinc/70/50/61/585705061.db2.gz UYRVNUTXHJIVNM-UHFFFAOYSA-N 2 1 234.307 0.763 20 0 BCADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000777601250 585715944 /nfs/dbraw/zinc/71/59/44/585715944.db2.gz XTZQBPPSGHBVAO-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CCC[C@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000777601250 585715945 /nfs/dbraw/zinc/71/59/45/585715945.db2.gz XTZQBPPSGHBVAO-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@H+](CC3OCCO3)CC[C@H]21 ZINC000777601250 585715946 /nfs/dbraw/zinc/71/59/46/585715946.db2.gz XTZQBPPSGHBVAO-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3OCCO3)CC[C@H]21 ZINC000777601250 585715947 /nfs/dbraw/zinc/71/59/47/585715947.db2.gz XTZQBPPSGHBVAO-NWDGAFQWSA-N 2 1 240.347 0.775 20 0 BCADMP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779341460 585751842 /nfs/dbraw/zinc/75/18/42/585751842.db2.gz HWUNDEWRINTJIE-MNOVXSKESA-N 2 1 212.337 0.831 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782611800 585822015 /nfs/dbraw/zinc/82/20/15/585822015.db2.gz FHUUXRRUSLPBKK-OLZOCXBDSA-N 2 1 235.331 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782611800 585822016 /nfs/dbraw/zinc/82/20/16/585822016.db2.gz FHUUXRRUSLPBKK-OLZOCXBDSA-N 2 1 235.331 0.896 20 0 BCADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836788 585881756 /nfs/dbraw/zinc/88/17/56/585881756.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 2 1 235.335 0.896 20 0 BCADMP C[C@H]1CN(C(=O)CCc2c[nH]cn2)CC[N@H+]1C ZINC000793576191 586023222 /nfs/dbraw/zinc/02/32/22/586023222.db2.gz YPKADUPNSGHNDS-JTQLQIEISA-N 2 1 236.319 0.505 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000810245037 586537469 /nfs/dbraw/zinc/53/74/69/586537469.db2.gz OGDBTBBWTXWWEI-LBPRGKRZSA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000810245037 586537470 /nfs/dbraw/zinc/53/74/70/586537470.db2.gz OGDBTBBWTXWWEI-LBPRGKRZSA-N 2 1 241.379 0.926 20 0 BCADMP CC[C@@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890561 586831837 /nfs/dbraw/zinc/83/18/37/586831837.db2.gz UEWBPICAVKRKGB-UTUOFQBUSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C)C1 ZINC000817890314 586832359 /nfs/dbraw/zinc/83/23/59/586832359.db2.gz RTRNBQWFCPFDKG-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C)C1 ZINC000817890314 586832361 /nfs/dbraw/zinc/83/23/61/586832361.db2.gz RTRNBQWFCPFDKG-GRYCIOLGSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890757 586832525 /nfs/dbraw/zinc/83/25/25/586832525.db2.gz YMMVWWHRWSOOEM-IJLUTSLNSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000817922832 586840817 /nfs/dbraw/zinc/84/08/17/586840817.db2.gz MTLPXDINJOBLBY-WDEREUQCSA-N 2 1 228.336 0.727 20 0 BCADMP CC[NH2+]CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000818604848 586905224 /nfs/dbraw/zinc/90/52/24/586905224.db2.gz MEPFRLZTYRWOCQ-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH2+]CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000818604840 586905397 /nfs/dbraw/zinc/90/53/97/586905397.db2.gz MEPFRLZTYRWOCQ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH2+]CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000818604850 586905624 /nfs/dbraw/zinc/90/56/24/586905624.db2.gz MEPFRLZTYRWOCQ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000823101857 587202882 /nfs/dbraw/zinc/20/28/82/587202882.db2.gz WKLJTARHKTWRQZ-NEPJUHHUSA-N 2 1 237.347 0.245 20 0 BCADMP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000825349690 587316645 /nfs/dbraw/zinc/31/66/45/587316645.db2.gz GUXAOUSCLLUYCP-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000828318673 587434622 /nfs/dbraw/zinc/43/46/22/587434622.db2.gz UFKCARBPSQGPJY-NSHDSACASA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)C[C@H](C)[NH3+] ZINC000828965823 587476226 /nfs/dbraw/zinc/47/62/26/587476226.db2.gz QTGVISBORQANHI-JTQLQIEISA-N 2 1 238.335 0.860 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)C(C)(C)[NH3+] ZINC000828966076 587476477 /nfs/dbraw/zinc/47/64/77/587476477.db2.gz WFLOHGJVMVVCJR-UHFFFAOYSA-N 2 1 238.335 0.860 20 0 BCADMP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970496 587639894 /nfs/dbraw/zinc/63/98/94/587639894.db2.gz HKTOYUYZSLSCDS-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970263 587640663 /nfs/dbraw/zinc/64/06/63/587640663.db2.gz BDRQPXUHIKFDKW-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000831970395 587640675 /nfs/dbraw/zinc/64/06/75/587640675.db2.gz FYXCRZLRRPBKLA-BDAKNGLRSA-N 2 1 249.305 0.569 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970405 587640701 /nfs/dbraw/zinc/64/07/01/587640701.db2.gz GBNZTTYDJVUGJF-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970414 587640842 /nfs/dbraw/zinc/64/08/42/587640842.db2.gz GKVCSWDILXEXLW-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971473 587640888 /nfs/dbraw/zinc/64/08/88/587640888.db2.gz YLIAGCPZPZNXIH-NXEZZACHSA-N 2 1 213.325 0.324 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH3+] ZINC000832204728 587650092 /nfs/dbraw/zinc/65/00/92/587650092.db2.gz HTVHJONNDICQAQ-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834610910 587760865 /nfs/dbraw/zinc/76/08/65/587760865.db2.gz SQVCFGHUPQDBQJ-NSHDSACASA-N 2 1 229.368 0.962 20 0 BCADMP CC1([C@H]2CCC[N@@H+](CCC[NH3+])C2)OCCO1 ZINC000841011430 587935297 /nfs/dbraw/zinc/93/52/97/587935297.db2.gz IHPLIQLFDUZPRO-NSHDSACASA-N 2 1 228.336 0.810 20 0 BCADMP CN(CCC[NH3+])Cc1ncc(C[NH+](C)C)s1 ZINC000843050721 588076633 /nfs/dbraw/zinc/07/66/33/588076633.db2.gz QYWRKGPCNHBJIU-UHFFFAOYSA-N 2 1 242.392 0.985 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000843356612 588103804 /nfs/dbraw/zinc/10/38/04/588103804.db2.gz YQSNNJPBJHGSGE-OLZOCXBDSA-N 3 1 243.395 0.944 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000843356612 588103806 /nfs/dbraw/zinc/10/38/06/588103806.db2.gz YQSNNJPBJHGSGE-OLZOCXBDSA-N 3 1 243.395 0.944 20 0 BCADMP O=C1OCC[C@@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385755 588105364 /nfs/dbraw/zinc/10/53/64/588105364.db2.gz VTWKFQDBIRNFOF-NEPJUHHUSA-N 2 1 238.331 0.623 20 0 BCADMP Cn1ncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000843385609 588105546 /nfs/dbraw/zinc/10/55/46/588105546.db2.gz SMDOWFVDABWKLV-LBPRGKRZSA-N 2 1 249.362 0.637 20 0 BCADMP [NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@H]1C(F)F)C1CC1 ZINC000843479730 588114041 /nfs/dbraw/zinc/11/40/41/588114041.db2.gz ALJBKVSXKGCGKT-IUCAKERBSA-N 2 1 247.289 0.179 20 0 BCADMP CC(C)([NH3+])CCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000843481132 588114585 /nfs/dbraw/zinc/11/45/85/588114585.db2.gz OLQOIKVVXROQHU-QMMMGPOBSA-N 2 1 249.305 0.569 20 0 BCADMP [NH3+]CCCCCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000843505845 588117212 /nfs/dbraw/zinc/11/72/12/588117212.db2.gz OGPGDHHMBQPIED-VIFPVBQESA-N 2 1 231.365 0.284 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000844180638 588172430 /nfs/dbraw/zinc/17/24/30/588172430.db2.gz IRXRCDCFDWIPRU-LLVKDONJSA-N 2 1 227.352 0.587 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000844190511 588172906 /nfs/dbraw/zinc/17/29/06/588172906.db2.gz JFHGSKQBXWEJDG-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217739 588260536 /nfs/dbraw/zinc/26/05/36/588260536.db2.gz NWDSLTCQZUBECU-RYUDHWBXSA-N 3 1 229.368 0.554 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846217739 588260537 /nfs/dbraw/zinc/26/05/37/588260537.db2.gz NWDSLTCQZUBECU-RYUDHWBXSA-N 3 1 229.368 0.554 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCN1CC[NH2+]CC1 ZINC000846218144 588260699 /nfs/dbraw/zinc/26/06/99/588260699.db2.gz SOJHBKAPBKVEKC-UHFFFAOYSA-N 3 1 242.411 0.343 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846221496 588261411 /nfs/dbraw/zinc/26/14/11/588261411.db2.gz ZGMBGKNHLYDARF-JSGCOSHPSA-N 2 1 249.358 0.841 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846683838 588282469 /nfs/dbraw/zinc/28/24/69/588282469.db2.gz WXBMUZHDNYEIPQ-JTQLQIEISA-N 2 1 247.289 0.325 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000846683839 588282540 /nfs/dbraw/zinc/28/25/40/588282540.db2.gz WXBMUZHDNYEIPQ-SNVBAGLBSA-N 2 1 247.289 0.325 20 0 BCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000846718736 588284152 /nfs/dbraw/zinc/28/41/52/588284152.db2.gz YFAGULSVUSQJKO-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000846718736 588284153 /nfs/dbraw/zinc/28/41/53/588284153.db2.gz YFAGULSVUSQJKO-SECBINFHSA-N 2 1 249.305 0.571 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000848461128 588386274 /nfs/dbraw/zinc/38/62/74/588386274.db2.gz VTCPJRRBUGPMHD-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848720949 588408425 /nfs/dbraw/zinc/40/84/25/588408425.db2.gz FNCVICHUNBXJAW-GMTAPVOTSA-N 2 1 239.319 0.439 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848980512 588422209 /nfs/dbraw/zinc/42/22/09/588422209.db2.gz UCAMENWVVNMILF-NSHDSACASA-N 2 1 242.367 0.621 20 0 BCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC1CCC1 ZINC000848980443 588423349 /nfs/dbraw/zinc/42/33/49/588423349.db2.gz MSQYBBMECIOVAM-UHFFFAOYSA-N 2 1 240.351 0.375 20 0 BCADMP CCNC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983604 588424453 /nfs/dbraw/zinc/42/44/53/588424453.db2.gz VQZFYTODDGOUPI-PHIMTYICSA-N 2 1 242.367 0.620 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N(C)C ZINC000848987635 588426481 /nfs/dbraw/zinc/42/64/81/588426481.db2.gz MQHTUDXTZWNMCN-UHFFFAOYSA-N 2 1 200.330 0.803 20 0 BCADMP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000848992787 588427911 /nfs/dbraw/zinc/42/79/11/588427911.db2.gz ULDDBMDUVDGBIO-WDEREUQCSA-N 2 1 240.351 0.183 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997557 588429501 /nfs/dbraw/zinc/42/95/01/588429501.db2.gz PPJIWUDOMQZDGF-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997557 588429502 /nfs/dbraw/zinc/42/95/02/588429502.db2.gz PPJIWUDOMQZDGF-VIFPVBQESA-N 2 1 212.341 0.993 20 0 BCADMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC000849000278 588430411 /nfs/dbraw/zinc/43/04/11/588430411.db2.gz OVUYXZNHPFQZQK-GHMZBOCLSA-N 2 1 238.335 0.080 20 0 BCADMP CCNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000849004010 588431803 /nfs/dbraw/zinc/43/18/03/588431803.db2.gz SSQAYIBGVNMPEZ-SNVBAGLBSA-N 2 1 230.381 0.558 20 0 BCADMP CCN(CC)C(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008109 588433586 /nfs/dbraw/zinc/43/35/86/588433586.db2.gz QYITXSYEPGWNJW-NSHDSACASA-N 2 1 241.383 0.098 20 0 BCADMP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012642 588435340 /nfs/dbraw/zinc/43/53/40/588435340.db2.gz ICJJKTBXAQMDOI-JTQLQIEISA-N 2 1 212.341 0.708 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C ZINC000849028052 588441369 /nfs/dbraw/zinc/44/13/69/588441369.db2.gz ZWALYYLXNQMNGG-JTQLQIEISA-N 2 1 212.341 0.947 20 0 BCADMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849033907 588443733 /nfs/dbraw/zinc/44/37/33/588443733.db2.gz DMUZIQFWVXLQFZ-NSHDSACASA-N 2 1 242.367 0.356 20 0 BCADMP CCCCNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043544 588448526 /nfs/dbraw/zinc/44/85/26/588448526.db2.gz OZANTDRNNBNNJW-UHFFFAOYSA-N 2 1 212.341 0.995 20 0 BCADMP CCOCCCNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043916 588449020 /nfs/dbraw/zinc/44/90/20/588449020.db2.gz ZMKFFCQQIIVPNP-UHFFFAOYSA-N 2 1 242.367 0.621 20 0 BCADMP COCCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046570 588450335 /nfs/dbraw/zinc/45/03/35/588450335.db2.gz JFUDLKSXVATWTD-UHFFFAOYSA-N 2 1 244.383 0.725 20 0 BCADMP C[C@@]1(C[N@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]C1 ZINC000849350429 588474865 /nfs/dbraw/zinc/47/48/65/588474865.db2.gz OMRSMNIRUKNJMQ-CQSZACIVSA-N 2 1 249.358 0.856 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676744 588614529 /nfs/dbraw/zinc/61/45/29/588614529.db2.gz MHHJNKSVJAMIOA-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000851732383 588619436 /nfs/dbraw/zinc/61/94/36/588619436.db2.gz PEGWDHRXZHNBGE-LOWVWBTDSA-N 2 1 233.315 0.266 20 0 BCADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000851732383 588619437 /nfs/dbraw/zinc/61/94/37/588619437.db2.gz PEGWDHRXZHNBGE-LOWVWBTDSA-N 2 1 233.315 0.266 20 0 BCADMP FC(F)OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000851732223 588619579 /nfs/dbraw/zinc/61/95/79/588619579.db2.gz LYPQHHQYCWNMCY-YUMQZZPRSA-N 2 1 206.236 0.377 20 0 BCADMP C[N@@H+](C[C@@H]1CNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000851782207 588627718 /nfs/dbraw/zinc/62/77/18/588627718.db2.gz OHTYFECSRYQJCL-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@@H]1CNC(=O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000851782207 588627719 /nfs/dbraw/zinc/62/77/19/588627719.db2.gz OHTYFECSRYQJCL-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@@H]1CNC(=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000851782207 588627720 /nfs/dbraw/zinc/62/77/20/588627720.db2.gz OHTYFECSRYQJCL-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP C[N@@H+](C[C@H]1CNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000851782206 588627957 /nfs/dbraw/zinc/62/79/57/588627957.db2.gz OHTYFECSRYQJCL-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@H]1CNC(=O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000851782206 588627958 /nfs/dbraw/zinc/62/79/58/588627958.db2.gz OHTYFECSRYQJCL-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP C[NH+](C[C@H]1CNC(=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000851782206 588627959 /nfs/dbraw/zinc/62/79/59/588627959.db2.gz OHTYFECSRYQJCL-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CN1CCC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743534 588698482 /nfs/dbraw/zinc/69/84/82/588698482.db2.gz DYJWCSKOXSNWJX-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000852823234 588705671 /nfs/dbraw/zinc/70/56/71/588705671.db2.gz CVWBHSXDALDEPC-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000852823230 588705907 /nfs/dbraw/zinc/70/59/07/588705907.db2.gz CUQSGCSJOJTQFH-NSHDSACASA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000861582449 589168964 /nfs/dbraw/zinc/16/89/64/589168964.db2.gz XDPYNZIYBGOGFP-NXEZZACHSA-N 2 1 240.351 0.212 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651526 589173180 /nfs/dbraw/zinc/17/31/80/589173180.db2.gz VHLOGMJWRAZWDT-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP Cn1c(Cl)cnc1C[NH2+]CCOCCC[NH3+] ZINC000863649736 589307234 /nfs/dbraw/zinc/30/72/34/589307234.db2.gz HKHHLGZNASANJV-UHFFFAOYSA-N 2 1 246.742 0.529 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000864055815 589336710 /nfs/dbraw/zinc/33/67/10/589336710.db2.gz YHCOXBCDYFQKPF-RKDXNWHRSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000864055815 589336712 /nfs/dbraw/zinc/33/67/12/589336712.db2.gz YHCOXBCDYFQKPF-RKDXNWHRSA-N 2 1 221.308 0.085 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000864451270 589364822 /nfs/dbraw/zinc/36/48/22/589364822.db2.gz HAPUIUNFMOHQRI-BBBLOLIVSA-N 2 1 210.325 0.460 20 0 BCADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[NH+](C)C ZINC000864458388 589367834 /nfs/dbraw/zinc/36/78/34/589367834.db2.gz ZXURGKARMINLNR-SECBINFHSA-N 2 1 212.341 0.851 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000864458210 589367968 /nfs/dbraw/zinc/36/79/68/589367968.db2.gz YOCYYUYJRBRLNU-SCZZXKLOSA-N 2 1 210.325 0.603 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000864458210 589367970 /nfs/dbraw/zinc/36/79/70/589367970.db2.gz YOCYYUYJRBRLNU-SCZZXKLOSA-N 2 1 210.325 0.603 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C1CC1 ZINC000864458271 589368123 /nfs/dbraw/zinc/36/81/23/589368123.db2.gz YALRSQTTWCTTEL-GXSJLCMTSA-N 2 1 224.352 0.993 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000864463952 589370232 /nfs/dbraw/zinc/37/02/32/589370232.db2.gz NZPUOKBTBBHGKI-KXUCPTDWSA-N 2 1 233.319 0.720 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000864468153 589372306 /nfs/dbraw/zinc/37/23/06/589372306.db2.gz BNJZYZGNRHKKEL-DTWKUNHWSA-N 2 1 210.325 0.603 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864469311 589372755 /nfs/dbraw/zinc/37/27/55/589372755.db2.gz OZIIEODJWBFSSS-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665015 589509572 /nfs/dbraw/zinc/50/95/72/589509572.db2.gz BSLPVKVTZOTMEN-KKOKHZNYSA-N 2 1 210.321 0.705 20 0 BCADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866665015 589509573 /nfs/dbraw/zinc/50/95/73/589509573.db2.gz BSLPVKVTZOTMEN-KKOKHZNYSA-N 2 1 210.321 0.705 20 0 BCADMP CNC(=O)NC[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000866685429 589511657 /nfs/dbraw/zinc/51/16/57/589511657.db2.gz LOWJNCNOZBQRKG-SNVBAGLBSA-N 2 1 228.340 0.119 20 0 BCADMP Cn1ccc(C[N@@H+]2CC[NH2+]CCC2(C)C)cc1=O ZINC000866699223 589513023 /nfs/dbraw/zinc/51/30/23/589513023.db2.gz JQBKGVIHBQRLAS-UHFFFAOYSA-N 2 1 249.358 0.959 20 0 BCADMP Cn1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1=O ZINC000866699223 589513024 /nfs/dbraw/zinc/51/30/24/589513024.db2.gz JQBKGVIHBQRLAS-UHFFFAOYSA-N 2 1 249.358 0.959 20 0 BCADMP CC1(C)C[C@H](O)C[N@@H+](CCOCC[NH3+])C1 ZINC000866702392 589513406 /nfs/dbraw/zinc/51/34/06/589513406.db2.gz AIKZNGYZQGJMMT-JTQLQIEISA-N 2 1 216.325 0.055 20 0 BCADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866703657 589513416 /nfs/dbraw/zinc/51/34/16/589513416.db2.gz NNHFCYQDWODYMG-WDEREUQCSA-N 2 1 212.337 0.689 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704803 589514356 /nfs/dbraw/zinc/51/43/56/589514356.db2.gz YDTKBFBPPVYHSB-JQWIXIFHSA-N 2 1 230.352 0.050 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NOCC[NH+](C)C)CC[N@H+]1C ZINC000868629784 589569337 /nfs/dbraw/zinc/56/93/37/589569337.db2.gz SIXZTTAKUIQKRK-WDEREUQCSA-N 2 1 243.351 0.326 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000870872413 589691980 /nfs/dbraw/zinc/69/19/80/589691980.db2.gz UVENNRBTZBHIBE-UTUOFQBUSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000870892833 589695032 /nfs/dbraw/zinc/69/50/32/589695032.db2.gz NDMSVVJZWIYGER-VWYCJHECSA-N 2 1 227.352 0.665 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000870892815 589695109 /nfs/dbraw/zinc/69/51/09/589695109.db2.gz MPHLRUYFWIARJI-GMTAPVOTSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000870907543 589695870 /nfs/dbraw/zinc/69/58/70/589695870.db2.gz YVSGLVHKLAHNFD-FXPVBKGRSA-N 2 1 225.336 0.323 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968477 589702824 /nfs/dbraw/zinc/70/28/24/589702824.db2.gz VJDAZHPAXDQWQO-AOOOYVTPSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000870972470 589703804 /nfs/dbraw/zinc/70/38/04/589703804.db2.gz HGPQVWVXUKBVIH-GWOFURMSSA-N 2 1 225.336 0.180 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]21 ZINC000870981560 589704758 /nfs/dbraw/zinc/70/47/58/589704758.db2.gz JKQKFEPAPUHXPJ-QWRGUYRKSA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981474 589704766 /nfs/dbraw/zinc/70/47/66/589704766.db2.gz IXTCKXWOFKATSV-AXFHLTTASA-N 2 1 225.336 0.276 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980849 589704776 /nfs/dbraw/zinc/70/47/76/589704776.db2.gz CZYYWVFPBZAHOE-GMTAPVOTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980848 589704870 /nfs/dbraw/zinc/70/48/70/589704870.db2.gz CZYYWVFPBZAHOE-GARJFASQSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000870982761 589705095 /nfs/dbraw/zinc/70/50/95/589705095.db2.gz PEGXUAWKFUXPFX-GRYCIOLGSA-N 2 1 237.347 0.291 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983063 589705316 /nfs/dbraw/zinc/70/53/16/589705316.db2.gz SIDKKOQXTOFJRI-AXFHLTTASA-N 2 1 225.336 0.147 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])N(C)CCOC)C(C)C ZINC000871604117 589774288 /nfs/dbraw/zinc/77/42/88/589774288.db2.gz UHFNNTAWWBDJAW-UHFFFAOYSA-N 2 1 244.383 0.819 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000871607089 589775915 /nfs/dbraw/zinc/77/59/15/589775915.db2.gz WZMAZOZRLDTBHA-UHFFFAOYSA-N 2 1 240.351 0.351 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000871607089 589775916 /nfs/dbraw/zinc/77/59/16/589775916.db2.gz WZMAZOZRLDTBHA-UHFFFAOYSA-N 2 1 240.351 0.351 20 0 BCADMP O=C1CC2(CCC2)[N@@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000872156724 589885678 /nfs/dbraw/zinc/88/56/78/589885678.db2.gz CPZOQJCPUTWFDM-NSHDSACASA-N 2 1 237.347 0.341 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000872154149 589886025 /nfs/dbraw/zinc/88/60/25/589886025.db2.gz PDFICPXOGYVCRX-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP CN(CCC[NH2+]Cc1ccon1)CC[NH+](C)C ZINC000873141035 589986302 /nfs/dbraw/zinc/98/63/02/589986302.db2.gz ZQNYTWQAYZTQOG-UHFFFAOYSA-N 2 1 240.351 0.648 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000873201946 589989554 /nfs/dbraw/zinc/98/95/54/589989554.db2.gz QOJKHCZJDWXLEY-VXGBXAGGSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000873201946 589989557 /nfs/dbraw/zinc/98/95/57/589989557.db2.gz QOJKHCZJDWXLEY-VXGBXAGGSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000873201943 589993030 /nfs/dbraw/zinc/99/30/30/589993030.db2.gz QOJKHCZJDWXLEY-NEPJUHHUSA-N 3 1 213.369 0.888 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000873201943 589993033 /nfs/dbraw/zinc/99/30/33/589993033.db2.gz QOJKHCZJDWXLEY-NEPJUHHUSA-N 3 1 213.369 0.888 20 0 BCADMP C[C@@H]([NH2+]Cc1cnc(N)cn1)[C@H]1CCC[NH2+]C1 ZINC000873210895 589995549 /nfs/dbraw/zinc/99/55/49/589995549.db2.gz RVVFZXJWEZFOMW-ZJUUUORDSA-N 2 1 235.335 0.537 20 0 BCADMP Nc1cnc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000873211306 589996086 /nfs/dbraw/zinc/99/60/86/589996086.db2.gz YEPCMIJCTBGVPG-SECBINFHSA-N 2 1 221.308 0.148 20 0 BCADMP C[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221022 589999545 /nfs/dbraw/zinc/99/95/45/589999545.db2.gz XEWXGMHXMPNWDI-NTZNESFSSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221061 589999572 /nfs/dbraw/zinc/99/95/72/589999572.db2.gz ZBXONSPDTFZLHR-PWSUYJOCSA-N 3 1 211.353 0.716 20 0 BCADMP C[N@H+]1CC[C@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000873221443 590000186 /nfs/dbraw/zinc/00/01/86/590000186.db2.gz KLVCQGFTZXUIDT-QWRGUYRKSA-N 2 1 211.353 0.750 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232234 590002934 /nfs/dbraw/zinc/00/29/34/590002934.db2.gz NPOMWAWMNPHZDG-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000873248686 590007215 /nfs/dbraw/zinc/00/72/15/590007215.db2.gz DOJLAMDPNRNJCK-NNYUYHANSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873251208 590008637 /nfs/dbraw/zinc/00/86/37/590008637.db2.gz KGLJNMWLYHXWJE-RNJOBUHISA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000873254813 590010216 /nfs/dbraw/zinc/01/02/16/590010216.db2.gz BEDGFMGGTHTRSE-KKOKHZNYSA-N 3 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000873254813 590010220 /nfs/dbraw/zinc/01/02/20/590010220.db2.gz BEDGFMGGTHTRSE-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP N[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261882 590014304 /nfs/dbraw/zinc/01/43/04/590014304.db2.gz SMLUJTOCIMKKRB-PPCPHDFISA-N 2 1 223.364 0.986 20 0 BCADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270385 590016379 /nfs/dbraw/zinc/01/63/79/590016379.db2.gz RVEKBRDWAVUCFY-NQBHXWOUSA-N 3 1 225.380 0.962 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccnn1C ZINC000873276469 590017307 /nfs/dbraw/zinc/01/73/07/590017307.db2.gz UKKHJOJUCFFUOW-DTWKUNHWSA-N 2 1 208.309 0.679 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000873838914 590075061 /nfs/dbraw/zinc/07/50/61/590075061.db2.gz DAZFUBCCYUMSKS-GFCCVEGCSA-N 2 1 239.363 0.683 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874390123 590107186 /nfs/dbraw/zinc/10/71/86/590107186.db2.gz ZSWGKPCQUUBOHZ-LLVKDONJSA-N 2 1 225.336 0.293 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874446486 590111479 /nfs/dbraw/zinc/11/14/79/590111479.db2.gz MXYZGLSMDVUDHS-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732607 590234316 /nfs/dbraw/zinc/23/43/16/590234316.db2.gz AWRGAOXEDCFLNT-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876789513 590241203 /nfs/dbraw/zinc/24/12/03/590241203.db2.gz CQSRBJVHJLPJPW-UWVGGRQHSA-N 2 1 225.336 0.134 20 0 BCADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000876809618 590245338 /nfs/dbraw/zinc/24/53/38/590245338.db2.gz VMVLHYZEBJZXJS-KHVQUVQLSA-N 2 1 247.289 0.108 20 0 BCADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)[NH+](C)C ZINC000876855104 590249910 /nfs/dbraw/zinc/24/99/10/590249910.db2.gz YROUEFACRYYICU-SFYZADRCSA-N 2 1 235.278 0.002 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876871775 590251982 /nfs/dbraw/zinc/25/19/82/590251982.db2.gz WTWHWVAYGDBJSR-UTUOFQBUSA-N 2 1 237.347 0.149 20 0 BCADMP CC1(C)[C@H](C(=O)NCc2cnc[nH]2)C[C@@H]1[NH3+] ZINC000876882861 590253090 /nfs/dbraw/zinc/25/30/90/590253090.db2.gz UHSGUFHSVUFEKH-IUCAKERBSA-N 2 1 222.292 0.399 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH3+])C1 ZINC000876937939 590259088 /nfs/dbraw/zinc/25/90/88/590259088.db2.gz JNJZMXOKNUDNAA-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC[N@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000876995942 590266588 /nfs/dbraw/zinc/26/65/88/590266588.db2.gz KLVSZPJADIISLM-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP CC[N@@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000876995942 590266590 /nfs/dbraw/zinc/26/65/90/590266590.db2.gz KLVSZPJADIISLM-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081476 590280020 /nfs/dbraw/zinc/28/00/20/590280020.db2.gz CGNIGQKYXLSANW-VWYCJHECSA-N 2 1 243.326 0.144 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@H]21 ZINC000877248879 590303512 /nfs/dbraw/zinc/30/35/12/590303512.db2.gz FZRQFUUYMUCGKB-KIJLLGNVSA-N 2 1 249.358 0.004 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000877250923 590303731 /nfs/dbraw/zinc/30/37/31/590303731.db2.gz UISCTNDRLRNODL-NXEZZACHSA-N 2 1 223.320 0.030 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272751 590305556 /nfs/dbraw/zinc/30/55/56/590305556.db2.gz KKAUODOUUZRORA-NWDGAFQWSA-N 2 1 248.330 0.544 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451652 590330234 /nfs/dbraw/zinc/33/02/34/590330234.db2.gz SCFPMPMJMIAYBU-OBPIAQAESA-N 2 1 249.358 0.147 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+](CCn2cnnn2)CC1 ZINC000878513068 590583852 /nfs/dbraw/zinc/58/38/52/590583852.db2.gz UHECVCYYIPKQGZ-NSHDSACASA-N 2 1 238.339 0.089 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2cnnn2)CC1 ZINC000878513068 590583856 /nfs/dbraw/zinc/58/38/56/590583856.db2.gz UHECVCYYIPKQGZ-NSHDSACASA-N 2 1 238.339 0.089 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569871 590806829 /nfs/dbraw/zinc/80/68/29/590806829.db2.gz VCXWJXNLASMNRI-WDEREUQCSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569871 590806833 /nfs/dbraw/zinc/80/68/33/590806833.db2.gz VCXWJXNLASMNRI-WDEREUQCSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569871 590806836 /nfs/dbraw/zinc/80/68/36/590806836.db2.gz VCXWJXNLASMNRI-WDEREUQCSA-N 2 1 226.320 0.576 20 0 BCADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569871 590806840 /nfs/dbraw/zinc/80/68/40/590806840.db2.gz VCXWJXNLASMNRI-WDEREUQCSA-N 2 1 226.320 0.576 20 0 BCADMP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573571 590808745 /nfs/dbraw/zinc/80/87/45/590808745.db2.gz YVLTVLXNIAPHAE-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573571 590808750 /nfs/dbraw/zinc/80/87/50/590808750.db2.gz YVLTVLXNIAPHAE-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573571 590808754 /nfs/dbraw/zinc/80/87/54/590808754.db2.gz YVLTVLXNIAPHAE-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573571 590808757 /nfs/dbraw/zinc/80/87/57/590808757.db2.gz YVLTVLXNIAPHAE-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000879572449 590809074 /nfs/dbraw/zinc/80/90/74/590809074.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000879572449 590809077 /nfs/dbraw/zinc/80/90/77/590809077.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000879572449 590809079 /nfs/dbraw/zinc/80/90/79/590809079.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574115 590812256 /nfs/dbraw/zinc/81/22/56/590812256.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574115 590812261 /nfs/dbraw/zinc/81/22/61/590812261.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574115 590812265 /nfs/dbraw/zinc/81/22/65/590812265.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574115 590812268 /nfs/dbraw/zinc/81/22/68/590812268.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 2 1 242.363 0.410 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)CC[C@@H]21 ZINC000879578289 590814051 /nfs/dbraw/zinc/81/40/51/590814051.db2.gz CMPRVYZFIKHBNQ-UPJWGTAASA-N 2 1 240.347 0.428 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)CC[C@@H]21 ZINC000879578289 590814056 /nfs/dbraw/zinc/81/40/56/590814056.db2.gz CMPRVYZFIKHBNQ-UPJWGTAASA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3COCCO3)CC[C@@H]21 ZINC000879578289 590814058 /nfs/dbraw/zinc/81/40/58/590814058.db2.gz CMPRVYZFIKHBNQ-UPJWGTAASA-N 2 1 240.347 0.428 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3COCCO3)CC[C@@H]21 ZINC000879578289 590814063 /nfs/dbraw/zinc/81/40/63/590814063.db2.gz CMPRVYZFIKHBNQ-UPJWGTAASA-N 2 1 240.347 0.428 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574114 590814480 /nfs/dbraw/zinc/81/44/80/590814480.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574114 590814482 /nfs/dbraw/zinc/81/44/82/590814482.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574114 590814484 /nfs/dbraw/zinc/81/44/84/590814484.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574114 590814487 /nfs/dbraw/zinc/81/44/87/590814487.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574116 590815455 /nfs/dbraw/zinc/81/54/55/590815455.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574116 590815458 /nfs/dbraw/zinc/81/54/58/590815458.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574116 590815461 /nfs/dbraw/zinc/81/54/61/590815461.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574116 590815465 /nfs/dbraw/zinc/81/54/65/590815465.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 2 1 242.363 0.410 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820853 /nfs/dbraw/zinc/82/08/53/590820853.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820855 /nfs/dbraw/zinc/82/08/55/590820855.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820857 /nfs/dbraw/zinc/82/08/57/590820857.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 2 1 224.348 0.783 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582597 590821359 /nfs/dbraw/zinc/82/13/59/590821359.db2.gz SLTZQPKDWMMNPL-OLZOCXBDSA-N 2 1 234.347 0.978 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582597 590821362 /nfs/dbraw/zinc/82/13/62/590821362.db2.gz SLTZQPKDWMMNPL-OLZOCXBDSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582597 590821366 /nfs/dbraw/zinc/82/13/66/590821366.db2.gz SLTZQPKDWMMNPL-OLZOCXBDSA-N 2 1 234.347 0.978 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000879582597 590821370 /nfs/dbraw/zinc/82/13/70/590821370.db2.gz SLTZQPKDWMMNPL-OLZOCXBDSA-N 2 1 234.347 0.978 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880441532 591045298 /nfs/dbraw/zinc/04/52/98/591045298.db2.gz YWDKLOMZBPKXRM-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880441532 591045301 /nfs/dbraw/zinc/04/53/01/591045301.db2.gz YWDKLOMZBPKXRM-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP CC1([NH+]2CCC2)CC[NH+](CCCO)CC1 ZINC000880472000 591052132 /nfs/dbraw/zinc/05/21/32/591052132.db2.gz CLQRRWHLGLKHJY-UHFFFAOYSA-N 2 1 212.337 0.929 20 0 BCADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C[C@@H]1CO ZINC000880489961 591067043 /nfs/dbraw/zinc/06/70/43/591067043.db2.gz ZQLIYAVGDULTNY-VXGBXAGGSA-N 2 1 210.321 0.703 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C[C@@H]1CO ZINC000880489961 591067044 /nfs/dbraw/zinc/06/70/44/591067044.db2.gz ZQLIYAVGDULTNY-VXGBXAGGSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880489961 591067046 /nfs/dbraw/zinc/06/70/46/591067046.db2.gz ZQLIYAVGDULTNY-VXGBXAGGSA-N 2 1 210.321 0.703 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C[C@@H]1CO ZINC000880489961 591067048 /nfs/dbraw/zinc/06/70/48/591067048.db2.gz ZQLIYAVGDULTNY-VXGBXAGGSA-N 2 1 210.321 0.703 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC ZINC000882485676 591361056 /nfs/dbraw/zinc/36/10/56/591361056.db2.gz KADSWLGBXYHCRA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882485676 591361060 /nfs/dbraw/zinc/36/10/60/591361060.db2.gz KADSWLGBXYHCRA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882485676 591361064 /nfs/dbraw/zinc/36/10/64/591361064.db2.gz KADSWLGBXYHCRA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC ZINC000882485677 591361214 /nfs/dbraw/zinc/36/12/14/591361214.db2.gz KADSWLGBXYHCRA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882485677 591361218 /nfs/dbraw/zinc/36/12/18/591361218.db2.gz KADSWLGBXYHCRA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882485677 591361222 /nfs/dbraw/zinc/36/12/22/591361222.db2.gz KADSWLGBXYHCRA-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000882486351 591361700 /nfs/dbraw/zinc/36/17/00/591361700.db2.gz QMJCZTULLRQKGA-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000882486351 591361705 /nfs/dbraw/zinc/36/17/05/591361705.db2.gz QMJCZTULLRQKGA-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000882486351 591361710 /nfs/dbraw/zinc/36/17/10/591361710.db2.gz QMJCZTULLRQKGA-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882485466 591362381 /nfs/dbraw/zinc/36/23/81/591362381.db2.gz SSDAHKQAHRPZKZ-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC)[NH+](C)C ZINC000882489210 591367744 /nfs/dbraw/zinc/36/77/44/591367744.db2.gz OMUNATTZFBPTIO-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC000882495440 591379093 /nfs/dbraw/zinc/37/90/93/591379093.db2.gz IDRHHTJHYQOWPX-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC000882495440 591379097 /nfs/dbraw/zinc/37/90/97/591379097.db2.gz IDRHHTJHYQOWPX-NSHDSACASA-N 2 1 236.319 0.402 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129790370 591404804 /nfs/dbraw/zinc/40/48/04/591404804.db2.gz KDIJGZARARVOFE-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129824985 591411131 /nfs/dbraw/zinc/41/11/31/591411131.db2.gz XTSSTOLYHNXFKC-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H](F)CN2)CC1 ZINC000883416193 591653176 /nfs/dbraw/zinc/65/31/76/591653176.db2.gz ORYMTBJBGGYAFI-QWRGUYRKSA-N 2 1 215.316 0.357 20 0 BCADMP F[C@@H]1CN[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000883424648 591658627 /nfs/dbraw/zinc/65/86/27/591658627.db2.gz ZDJPCTRTFSAQHX-RYUDHWBXSA-N 2 1 241.354 0.762 20 0 BCADMP F[C@@H]1CN[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000883424648 591658629 /nfs/dbraw/zinc/65/86/29/591658629.db2.gz ZDJPCTRTFSAQHX-RYUDHWBXSA-N 2 1 241.354 0.762 20 0 BCADMP CCCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442647 591669410 /nfs/dbraw/zinc/66/94/10/591669410.db2.gz PPTKDBAYTFSVAO-NXEZZACHSA-N 2 1 248.392 0.527 20 0 BCADMP C[N@H+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1(C)C ZINC000883448208 591671421 /nfs/dbraw/zinc/67/14/21/591671421.db2.gz XDPGYIUPNSCKHR-QWRGUYRKSA-N 2 1 229.343 0.712 20 0 BCADMP c1ncc2c(n1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000883462559 591673750 /nfs/dbraw/zinc/67/37/50/591673750.db2.gz UFKXVERSYYSRFB-LLVKDONJSA-N 2 1 232.331 0.834 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000883462390 591674059 /nfs/dbraw/zinc/67/40/59/591674059.db2.gz PYOJORLLDNQZKJ-GRYCIOLGSA-N 2 1 237.347 0.196 20 0 BCADMP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000883462390 591674052 /nfs/dbraw/zinc/67/40/52/591674052.db2.gz PYOJORLLDNQZKJ-GRYCIOLGSA-N 2 1 237.347 0.196 20 0 BCADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461952 591674417 /nfs/dbraw/zinc/67/44/17/591674417.db2.gz GXYBLUJJJZUSFR-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP [NH3+]CCOCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459263 591674630 /nfs/dbraw/zinc/67/46/30/591674630.db2.gz QCDVPACHUVIGEI-UHFFFAOYSA-N 3 1 227.352 0.180 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459263 591674631 /nfs/dbraw/zinc/67/46/31/591674631.db2.gz QCDVPACHUVIGEI-UHFFFAOYSA-N 3 1 227.352 0.180 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000131904623 591676934 /nfs/dbraw/zinc/67/69/34/591676934.db2.gz XXPJDWWFRNJXHF-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000131904623 591676939 /nfs/dbraw/zinc/67/69/39/591676939.db2.gz XXPJDWWFRNJXHF-UPJWGTAASA-N 2 1 242.363 0.722 20 0 BCADMP c1cn(CCN2CCC3(C2)OCCO3)cn1 ZINC000131907999 591676992 /nfs/dbraw/zinc/67/69/92/591676992.db2.gz QJZAHIRSPJQXNE-UHFFFAOYSA-N 2 1 223.276 0.332 20 0 BCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000131999953 591682259 /nfs/dbraw/zinc/68/22/59/591682259.db2.gz GCQDSFFLOSRQSU-UWVGGRQHSA-N 2 1 245.392 0.481 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132968096 591751501 /nfs/dbraw/zinc/75/15/01/591751501.db2.gz SIHOOBDCXLALAL-OPRDCNLKSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000133434640 591791707 /nfs/dbraw/zinc/79/17/07/591791707.db2.gz WZACGJLFDVMSOC-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC[N@H+]1C ZINC000884361705 591914306 /nfs/dbraw/zinc/91/43/06/591914306.db2.gz XJKFJQOFRANMFX-DBIOUOCHSA-N 2 1 239.363 0.569 20 0 BCADMP C([NH2+][C@H]1CCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000216291414 592017023 /nfs/dbraw/zinc/01/70/23/592017023.db2.gz PCWHBXFTWOPZJW-MNOVXSKESA-N 2 1 210.321 0.849 20 0 BCADMP C[N@@H+](CCO)CCNc1cc[nH+]c2ccccc12 ZINC000884824915 592022927 /nfs/dbraw/zinc/02/29/27/592022927.db2.gz VVGBTSKJLKNRMR-UHFFFAOYSA-N 2 1 245.326 0.993 20 0 BCADMP CC[S@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000217328801 592104863 /nfs/dbraw/zinc/10/48/63/592104863.db2.gz MOOLUHJJKNMTOB-GTCHNVEASA-N 2 1 244.404 0.970 20 0 BCADMP CC[S@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217328801 592104864 /nfs/dbraw/zinc/10/48/64/592104864.db2.gz MOOLUHJJKNMTOB-GTCHNVEASA-N 2 1 244.404 0.970 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H](CO)C[C@@H]2CCCO2)CC1 ZINC000886229229 592181016 /nfs/dbraw/zinc/18/10/16/592181016.db2.gz MVJSFIRSMLWUNT-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000220098534 592278085 /nfs/dbraw/zinc/27/80/85/592278085.db2.gz SSDCVFUAUNGWOR-UHFFFAOYSA-N 2 1 223.324 0.247 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)CCO1 ZINC000886829740 592352301 /nfs/dbraw/zinc/35/23/01/592352301.db2.gz GNABNWGBYGJPBG-QNWHQSFQSA-N 2 1 240.347 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)CCO1 ZINC000886829740 592352305 /nfs/dbraw/zinc/35/23/05/592352305.db2.gz GNABNWGBYGJPBG-QNWHQSFQSA-N 2 1 240.347 0.461 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838322 592359041 /nfs/dbraw/zinc/35/90/41/592359041.db2.gz VJEKRDUEJNWNLJ-XKGSQUFQSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)CCCO1 ZINC000886839914 592360343 /nfs/dbraw/zinc/36/03/43/592360343.db2.gz OPCWVGPRIMSHBO-UPJWGTAASA-N 2 1 240.347 0.463 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886840331 592361048 /nfs/dbraw/zinc/36/10/48/592361048.db2.gz ZEXRCWRUUPSTOG-WHOHXGKFSA-N 2 1 210.321 0.835 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871836 592376641 /nfs/dbraw/zinc/37/66/41/592376641.db2.gz CFOYJGXWJVNTMH-CYBMUJFWSA-N 3 1 241.379 0.427 20 0 BCADMP [NH3+]CCOCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871836 592376645 /nfs/dbraw/zinc/37/66/45/592376645.db2.gz CFOYJGXWJVNTMH-CYBMUJFWSA-N 2 1 241.379 0.427 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886881131 592380134 /nfs/dbraw/zinc/38/01/34/592380134.db2.gz RFUKDSNABFUXHK-UTUOFQBUSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886881131 592380135 /nfs/dbraw/zinc/38/01/35/592380135.db2.gz RFUKDSNABFUXHK-UTUOFQBUSA-N 2 1 210.321 0.836 20 0 BCADMP COC1CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000221111040 592397667 /nfs/dbraw/zinc/39/76/67/592397667.db2.gz PGPZGXBIVMBABZ-POOIEITISA-N 2 1 240.347 0.617 20 0 BCADMP COC1CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000221111040 592397671 /nfs/dbraw/zinc/39/76/71/592397671.db2.gz PGPZGXBIVMBABZ-POOIEITISA-N 2 1 240.347 0.617 20 0 BCADMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NCC1CC1 ZINC000887357793 592489091 /nfs/dbraw/zinc/48/90/91/592489091.db2.gz GANNTWJDLLBEGO-UHFFFAOYSA-N 2 1 222.336 0.772 20 0 BCADMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NCC1CC1 ZINC000887357793 592489095 /nfs/dbraw/zinc/48/90/95/592489095.db2.gz GANNTWJDLLBEGO-UHFFFAOYSA-N 2 1 222.336 0.772 20 0 BCADMP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000300064291 592502540 /nfs/dbraw/zinc/50/25/40/592502540.db2.gz QSTIAKALYXOTRR-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000300064291 592502542 /nfs/dbraw/zinc/50/25/42/592502542.db2.gz QSTIAKALYXOTRR-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890078604 592677851 /nfs/dbraw/zinc/67/78/51/592677851.db2.gz JDZXFLHBYWJUTR-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890078604 592677853 /nfs/dbraw/zinc/67/78/53/592677853.db2.gz JDZXFLHBYWJUTR-UHFFFAOYSA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215674 634458406 /nfs/dbraw/zinc/45/84/06/634458406.db2.gz KWFTUUICERKPAX-RYUDHWBXSA-N 2 1 239.363 0.396 20 0 BCADMP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925721275 634459499 /nfs/dbraw/zinc/45/94/99/634459499.db2.gz BRKFZNFMTSWYPG-DLOVCJGASA-N 2 1 238.331 0.978 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335448391 634471321 /nfs/dbraw/zinc/47/13/21/634471321.db2.gz PHGRNRZCXNBWCF-ZDUSSCGKSA-N 3 1 223.364 0.814 20 0 BCADMP C(C1CC[NH2+]CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335448391 634471325 /nfs/dbraw/zinc/47/13/25/634471325.db2.gz PHGRNRZCXNBWCF-ZDUSSCGKSA-N 2 1 223.364 0.814 20 0 BCADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257711172 634477142 /nfs/dbraw/zinc/47/71/42/634477142.db2.gz SXQKSAUOXSKPMD-RYUDHWBXSA-N 2 1 210.321 0.851 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236874031 634563539 /nfs/dbraw/zinc/56/35/39/634563539.db2.gz XRLSELDWDUPUBQ-SNVBAGLBSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125573993 634565139 /nfs/dbraw/zinc/56/51/39/634565139.db2.gz KYDKPLFQBHZYEK-QWRGUYRKSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])[C@@H](C)C1 ZINC000236846521 635471555 /nfs/dbraw/zinc/47/15/55/635471555.db2.gz ALVRUZXYEHKMES-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@H]1CCC[NH2+]C1 ZINC000233455407 635534094 /nfs/dbraw/zinc/53/40/94/635534094.db2.gz IMAZUICNFLTXBE-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CNOC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925865026 635566438 /nfs/dbraw/zinc/56/64/38/635566438.db2.gz OHFLSYQZDYOFFV-WUHRBBMRSA-N 2 1 239.363 0.790 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000925890710 635616709 /nfs/dbraw/zinc/61/67/09/635616709.db2.gz QPJFPSCMONPOJP-VWYCJHECSA-N 2 1 249.362 0.403 20 0 BCADMP C[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000925876100 635599119 /nfs/dbraw/zinc/59/91/19/635599119.db2.gz XGTVINFNRHRBNJ-UTUOFQBUSA-N 2 1 228.336 0.522 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880410 635607838 /nfs/dbraw/zinc/60/78/38/635607838.db2.gz RDGZQYNQTABQBK-WYUUTHIRSA-N 3 1 211.353 0.844 20 0 BCADMP CN(C)c1nc(NCC(C)(C)[NH3+])cc[nH+]1 ZINC000096867068 631266374 /nfs/dbraw/zinc/26/63/74/631266374.db2.gz NLRKJIJLNZJQTB-UHFFFAOYSA-N 2 1 209.297 0.692 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1CO ZINC000891458851 631369690 /nfs/dbraw/zinc/36/96/90/631369690.db2.gz GBMDTTVZWAETBG-LBPRGKRZSA-N 2 1 235.331 0.892 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173400 631378960 /nfs/dbraw/zinc/37/89/60/631378960.db2.gz KOSJQVXDFDKRSV-CRWXNKLISA-N 2 1 236.359 0.997 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173400 631378965 /nfs/dbraw/zinc/37/89/65/631378965.db2.gz KOSJQVXDFDKRSV-CRWXNKLISA-N 2 1 236.359 0.997 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173426 631379154 /nfs/dbraw/zinc/37/91/54/631379154.db2.gz KOSJQVXDFDKRSV-RFQIPJPRSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173426 631379161 /nfs/dbraw/zinc/37/91/61/631379161.db2.gz KOSJQVXDFDKRSV-RFQIPJPRSA-N 2 1 236.359 0.997 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926206483 631430561 /nfs/dbraw/zinc/43/05/61/631430561.db2.gz KHQOEOOFMCXEDW-SNVBAGLBSA-N 2 1 236.319 0.077 20 0 BCADMP C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000308735723 631556891 /nfs/dbraw/zinc/55/68/91/631556891.db2.gz ZUYYQPGKNOMMSW-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000308735723 631556896 /nfs/dbraw/zinc/55/68/96/631556896.db2.gz ZUYYQPGKNOMMSW-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732324 631557896 /nfs/dbraw/zinc/55/78/96/631557896.db2.gz WIYWHRBQTFBKAV-RYUDHWBXSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584379 /nfs/dbraw/zinc/58/43/79/631584379.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584384 /nfs/dbraw/zinc/58/43/84/631584384.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584388 /nfs/dbraw/zinc/58/43/88/631584388.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584393 /nfs/dbraw/zinc/58/43/93/631584393.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584402 /nfs/dbraw/zinc/58/44/02/631584402.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 1 223.364 0.907 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]1CO ZINC000934016593 631610097 /nfs/dbraw/zinc/61/00/97/631610097.db2.gz IKOIWDXJUMFZCM-LLVKDONJSA-N 2 1 209.293 0.648 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]1CO ZINC000934016593 631610101 /nfs/dbraw/zinc/61/01/01/631610101.db2.gz IKOIWDXJUMFZCM-LLVKDONJSA-N 2 1 209.293 0.648 20 0 BCADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H]1CO ZINC000934028236 631625813 /nfs/dbraw/zinc/62/58/13/631625813.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1CO ZINC000934028236 631625817 /nfs/dbraw/zinc/62/58/17/631625817.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1CO ZINC000934028236 631625821 /nfs/dbraw/zinc/62/58/21/631625821.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]1CO ZINC000934028236 631625824 /nfs/dbraw/zinc/62/58/24/631625824.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]1CO ZINC000934028236 631625828 /nfs/dbraw/zinc/62/58/28/631625828.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]1CO ZINC000934028483 631626668 /nfs/dbraw/zinc/62/66/68/631626668.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1CO ZINC000934028483 631626672 /nfs/dbraw/zinc/62/66/72/631626672.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1CO ZINC000934028483 631626677 /nfs/dbraw/zinc/62/66/77/631626677.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]1CO ZINC000934028483 631626681 /nfs/dbraw/zinc/62/66/81/631626681.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]1CO ZINC000934028483 631626689 /nfs/dbraw/zinc/62/66/89/631626689.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP CCOCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308794223 631647886 /nfs/dbraw/zinc/64/78/86/631647886.db2.gz BVPNJMQANNZEJO-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000051691805 631868902 /nfs/dbraw/zinc/86/89/02/631868902.db2.gz YBOLRTZGLLBQMC-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC)C1)[NH+](C)C ZINC000972353745 631972199 /nfs/dbraw/zinc/97/21/99/631972199.db2.gz HTKLNAIDIIXUAZ-RYUDHWBXSA-N 2 1 241.379 0.879 20 0 BCADMP CO[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291108 631993870 /nfs/dbraw/zinc/99/38/70/631993870.db2.gz VTVMGQVBHWOWBJ-NWDGAFQWSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291108 631993877 /nfs/dbraw/zinc/99/38/77/631993877.db2.gz VTVMGQVBHWOWBJ-NWDGAFQWSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309291108 631993883 /nfs/dbraw/zinc/99/38/83/631993883.db2.gz VTVMGQVBHWOWBJ-NWDGAFQWSA-N 2 1 232.368 0.654 20 0 BCADMP CO[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309291108 631993887 /nfs/dbraw/zinc/99/38/87/631993887.db2.gz VTVMGQVBHWOWBJ-NWDGAFQWSA-N 2 1 232.368 0.654 20 0 BCADMP C[C@@H]1NCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000309393770 632024073 /nfs/dbraw/zinc/02/40/73/632024073.db2.gz GGNQKVJOUJRLSU-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1[NH2+]CCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000309393770 632024075 /nfs/dbraw/zinc/02/40/75/632024075.db2.gz GGNQKVJOUJRLSU-YFKTTZPYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303554 632060137 /nfs/dbraw/zinc/06/01/37/632060137.db2.gz KQKFVCSHRANLGP-CMPLNLGQSA-N 2 1 239.363 0.429 20 0 BCADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086380 632125797 /nfs/dbraw/zinc/12/57/97/632125797.db2.gz KFNHZXJHDSJNLK-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000310271050 632713659 /nfs/dbraw/zinc/71/36/59/632713659.db2.gz SUNUMUCTTDTFTE-CMPLNLGQSA-N 2 1 237.347 0.467 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310504159 632751562 /nfs/dbraw/zinc/75/15/62/632751562.db2.gz ITEDKQZWZCANMU-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310504159 632751565 /nfs/dbraw/zinc/75/15/65/632751565.db2.gz ITEDKQZWZCANMU-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000310504159 632751569 /nfs/dbraw/zinc/75/15/69/632751569.db2.gz ITEDKQZWZCANMU-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000310504159 632751572 /nfs/dbraw/zinc/75/15/72/632751572.db2.gz ITEDKQZWZCANMU-OLZOCXBDSA-N 2 1 244.379 0.534 20 0 BCADMP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924537927 632776179 /nfs/dbraw/zinc/77/61/79/632776179.db2.gz PPEXVOKQUCXZMB-YHWZYXNKSA-N 2 1 242.363 0.864 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000052041383 632780057 /nfs/dbraw/zinc/78/00/57/632780057.db2.gz ZNMVZNNWAJVVMX-SNVBAGLBSA-N 2 1 212.341 0.993 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000236081894 632875853 /nfs/dbraw/zinc/87/58/53/632875853.db2.gz PHTFLZIDSPPHMR-GFCCVEGCSA-N 2 1 222.336 0.633 20 0 BCADMP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309370311 632985285 /nfs/dbraw/zinc/98/52/85/632985285.db2.gz FBWQYVUDTQNALT-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000309393382 633009572 /nfs/dbraw/zinc/00/95/72/633009572.db2.gz CJORNRRNPIWOIO-NHCYSSNCSA-N 2 1 224.304 0.363 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000309393382 633009576 /nfs/dbraw/zinc/00/95/76/633009576.db2.gz CJORNRRNPIWOIO-NHCYSSNCSA-N 2 1 224.304 0.363 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C ZINC000928429998 635912707 /nfs/dbraw/zinc/91/27/07/635912707.db2.gz FAWKZRDLHGACPA-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C ZINC000928429998 635912711 /nfs/dbraw/zinc/91/27/11/635912711.db2.gz FAWKZRDLHGACPA-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C ZINC000928429998 635912715 /nfs/dbraw/zinc/91/27/15/635912715.db2.gz FAWKZRDLHGACPA-PWSUYJOCSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290740 633186294 /nfs/dbraw/zinc/18/62/94/633186294.db2.gz QGXAUDIGTGGZKQ-WDEREUQCSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1C)C1CC1 ZINC000928432221 635918100 /nfs/dbraw/zinc/91/81/00/635918100.db2.gz CNWHDPLHVZUMJC-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C1CC1 ZINC000928432221 635918101 /nfs/dbraw/zinc/91/81/01/635918101.db2.gz CNWHDPLHVZUMJC-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)C1CC1 ZINC000928432221 635918102 /nfs/dbraw/zinc/91/81/02/635918102.db2.gz CNWHDPLHVZUMJC-JQWIXIFHSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000928431439 635918129 /nfs/dbraw/zinc/91/81/29/635918129.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000928431439 635918133 /nfs/dbraw/zinc/91/81/33/635918133.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000928431439 635918145 /nfs/dbraw/zinc/91/81/45/635918145.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122310954 633208161 /nfs/dbraw/zinc/20/81/61/633208161.db2.gz VICNZOXVPXNTNV-QWHCGFSZSA-N 2 1 241.379 0.235 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313190 633215369 /nfs/dbraw/zinc/21/53/69/633215369.db2.gz YBXYSARATSPUSO-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP CC(C)OCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328571017 633779118 /nfs/dbraw/zinc/77/91/18/633779118.db2.gz SFGLVEMGIOSNRD-JZRPKSSGSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000309515589 633942394 /nfs/dbraw/zinc/94/23/94/633942394.db2.gz YPUVFKNHZAUOJM-UNXYVOJBSA-N 3 1 211.353 0.798 20 0 BCADMP C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895470415 636148322 /nfs/dbraw/zinc/14/83/22/636148322.db2.gz XMNYGLHBQKHLBX-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP OCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000310048765 634066423 /nfs/dbraw/zinc/06/64/23/634066423.db2.gz RBNHLJZNXALWLK-CYBMUJFWSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000310048765 634066431 /nfs/dbraw/zinc/06/64/31/634066431.db2.gz RBNHLJZNXALWLK-CYBMUJFWSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000310238076 634098357 /nfs/dbraw/zinc/09/83/57/634098357.db2.gz INAFSPVLFWBNBU-WYUUTHIRSA-N 2 1 239.363 0.700 20 0 BCADMP COCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925612071 634149878 /nfs/dbraw/zinc/14/98/78/634149878.db2.gz QETAPMQZFOZUCK-NWDGAFQWSA-N 2 1 242.363 0.648 20 0 BCADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925646741 634203533 /nfs/dbraw/zinc/20/35/33/634203533.db2.gz VOOOMEUBBZCSOP-IVZWLZJFSA-N 2 1 212.337 0.876 20 0 BCADMP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925687281 634301865 /nfs/dbraw/zinc/30/18/65/634301865.db2.gz HVUKZWCXZSHYRV-RKDXNWHRSA-N 2 1 213.325 0.241 20 0 BCADMP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001026734589 634313034 /nfs/dbraw/zinc/31/30/34/634313034.db2.gz PYHLVKBDACWBHE-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925692954 634329778 /nfs/dbraw/zinc/32/97/78/634329778.db2.gz PQAGLFVTFNDLQW-NNYUYHANSA-N 2 1 212.337 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925694757 634337184 /nfs/dbraw/zinc/33/71/84/634337184.db2.gz SPNWVOOVSGOZMH-SRVKXCTJSA-N 3 1 211.353 0.716 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC[C@H]1CC[NH2+]C1 ZINC000925695218 634342302 /nfs/dbraw/zinc/34/23/02/634342302.db2.gz UNXYDMDIEMDZMO-MNOVXSKESA-N 2 1 211.353 0.716 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1NCC[C@@H]1CC[NH2+]C1 ZINC000925695219 634343105 /nfs/dbraw/zinc/34/31/05/634343105.db2.gz UNXYDMDIEMDZMO-QWRGUYRKSA-N 2 1 211.353 0.716 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)C(C)C ZINC000054133474 634373423 /nfs/dbraw/zinc/37/34/23/634373423.db2.gz QBQRBNIGCQIPCE-UHFFFAOYSA-N 2 1 201.314 0.052 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000857102795 634373492 /nfs/dbraw/zinc/37/34/92/634373492.db2.gz NKJKTMBQHJTQEU-GARJFASQSA-N 2 1 242.367 0.506 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925761976 635162572 /nfs/dbraw/zinc/16/25/72/635162572.db2.gz FHNMBXOHDFHQLQ-GMTAPVOTSA-N 2 1 246.376 0.423 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925790319 635315112 /nfs/dbraw/zinc/31/51/12/635315112.db2.gz GYVNINCFIKMLDB-MXWKQRLJSA-N 2 1 222.336 0.926 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250458377 635474765 /nfs/dbraw/zinc/47/47/65/635474765.db2.gz JWHBAOCGQNSJIU-WDEREUQCSA-N 2 1 216.325 0.197 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[C@@H]21 ZINC000925859215 635553574 /nfs/dbraw/zinc/55/35/74/635553574.db2.gz GGQOSDDEPYNHRY-RHYQMDGZSA-N 2 1 225.336 0.352 20 0 BCADMP Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C1(C)C)CC2 ZINC000925892873 635617626 /nfs/dbraw/zinc/61/76/26/635617626.db2.gz GZALUNNJLSNEJH-SKDRFNHKSA-N 2 1 249.362 0.403 20 0 BCADMP OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000894273236 635802556 /nfs/dbraw/zinc/80/25/56/635802556.db2.gz JJPNXXDSTCJXCB-CYBMUJFWSA-N 2 1 224.348 0.974 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928442529 635945424 /nfs/dbraw/zinc/94/54/24/635945424.db2.gz BBJYCNHTGKXRDM-QWRGUYRKSA-N 2 1 227.352 0.535 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925288100 636730991 /nfs/dbraw/zinc/73/09/91/636730991.db2.gz INDUXCFNSDKQLF-UKIXVXPJSA-N 2 1 236.359 0.853 20 0 BCADMP Cc1cc(C)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000322056567 636794042 /nfs/dbraw/zinc/79/40/42/636794042.db2.gz BNDBXCVYXFJING-UHFFFAOYSA-N 2 1 249.362 0.928 20 0 BCADMP CC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322379085 636861903 /nfs/dbraw/zinc/86/19/03/636861903.db2.gz GOWCUTSHXXAQQO-FGWVZKOKSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000925324240 636868291 /nfs/dbraw/zinc/86/82/91/636868291.db2.gz BNZLDTPEBXFYCQ-GHMZBOCLSA-N 2 1 242.367 0.282 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(OC)CC2)C1 ZINC000323046337 636893058 /nfs/dbraw/zinc/89/30/58/636893058.db2.gz DZFIOWQGVVJJOF-GFCCVEGCSA-N 2 1 241.379 0.944 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C[NH+](C)C ZINC000926962738 636974805 /nfs/dbraw/zinc/97/48/05/636974805.db2.gz LQFQVPMWRLVKFH-WUHRBBMRSA-N 2 1 244.379 0.966 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1C ZINC000927149436 637057837 /nfs/dbraw/zinc/05/78/37/637057837.db2.gz BYFRNULKXVIDHN-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1C ZINC000927149436 637057840 /nfs/dbraw/zinc/05/78/40/637057840.db2.gz BYFRNULKXVIDHN-DDHJBXDOSA-N 2 1 212.337 0.830 20 0 BCADMP COCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042458554 637258915 /nfs/dbraw/zinc/25/89/15/637258915.db2.gz MNEHUSDHEQPLMT-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP COCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042458554 637258923 /nfs/dbraw/zinc/25/89/23/637258923.db2.gz MNEHUSDHEQPLMT-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCCON)[C@@H](C)C1 ZINC000902419719 637302664 /nfs/dbraw/zinc/30/26/64/637302664.db2.gz JSCIXWHMNKCZPG-WDEREUQCSA-N 2 1 215.341 0.587 20 0 BCADMP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463887 637363750 /nfs/dbraw/zinc/36/37/50/637363750.db2.gz QXIONDLDDFJSMZ-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463887 637363759 /nfs/dbraw/zinc/36/37/59/637363759.db2.gz QXIONDLDDFJSMZ-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000903463463 637364917 /nfs/dbraw/zinc/36/49/17/637364917.db2.gz BTKQMIJBSZKJDB-GRYCIOLGSA-N 2 1 228.336 0.189 20 0 BCADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCC[NH3+])C[C@@H]21 ZINC000903564533 637370055 /nfs/dbraw/zinc/37/00/55/637370055.db2.gz YVIMTHWHNKVTTG-OUAUKWLOSA-N 2 1 226.320 0.466 20 0 BCADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1N ZINC000903551227 637370130 /nfs/dbraw/zinc/37/01/30/637370130.db2.gz AGWCNHMPZYPDTB-LLVKDONJSA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903551227 637370137 /nfs/dbraw/zinc/37/01/37/637370137.db2.gz AGWCNHMPZYPDTB-LLVKDONJSA-N 2 1 211.353 0.655 20 0 BCADMP COCCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726199 637380538 /nfs/dbraw/zinc/38/05/38/637380538.db2.gz KMPFCEJQRFIUOK-CHWSQXEVSA-N 2 1 242.363 0.723 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1C[NH3+] ZINC000903788269 637382174 /nfs/dbraw/zinc/38/21/74/637382174.db2.gz HIKVHDMTZOSVSU-UWVGGRQHSA-N 2 1 223.324 0.232 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903841378 637385264 /nfs/dbraw/zinc/38/52/64/637385264.db2.gz XBNWBKSPVAEGMG-WDEREUQCSA-N 2 1 218.316 0.910 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904444797 637414008 /nfs/dbraw/zinc/41/40/08/637414008.db2.gz RBXLYNZCIXLZLO-UHFFFAOYSA-N 3 1 205.305 0.726 20 0 BCADMP NC1(C[NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000904444797 637414015 /nfs/dbraw/zinc/41/40/15/637414015.db2.gz RBXLYNZCIXLZLO-UHFFFAOYSA-N 2 1 205.305 0.726 20 0 BCADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000904445463 637414091 /nfs/dbraw/zinc/41/40/91/637414091.db2.gz VNJKUZIOFTVMNM-UHFFFAOYSA-N 3 1 231.343 0.913 20 0 BCADMP NC1(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000904445463 637414093 /nfs/dbraw/zinc/41/40/93/637414093.db2.gz VNJKUZIOFTVMNM-UHFFFAOYSA-N 2 1 231.343 0.913 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000904468650 637422492 /nfs/dbraw/zinc/42/24/92/637422492.db2.gz DNVLNANEHBHMBO-GFCCVEGCSA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904468678 637423160 /nfs/dbraw/zinc/42/31/60/637423160.db2.gz DVFGSDJYHGDCHO-ZDUSSCGKSA-N 2 1 241.379 0.834 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904468677 637423786 /nfs/dbraw/zinc/42/37/86/637423786.db2.gz DVFGSDJYHGDCHO-CYBMUJFWSA-N 2 1 241.379 0.834 20 0 BCADMP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904469188 637424258 /nfs/dbraw/zinc/42/42/58/637424258.db2.gz JIRGNDZYRPHZHM-KQXIARHKSA-N 2 1 237.347 0.311 20 0 BCADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905084244 637581704 /nfs/dbraw/zinc/58/17/04/637581704.db2.gz YDXYTIKFIFHBDR-NSHDSACASA-N 2 1 239.319 0.057 20 0 BCADMP CC[C@](C)(C[NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905324758 637754069 /nfs/dbraw/zinc/75/40/69/637754069.db2.gz QGXMIXSOMGBXOU-SECBINFHSA-N 2 1 210.281 0.644 20 0 BCADMP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905355627 637775803 /nfs/dbraw/zinc/77/58/03/637775803.db2.gz ZBAZRQUPVOWGRI-OLZOCXBDSA-N 2 1 238.331 0.198 20 0 BCADMP CC1(C)C[NH2+]C[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905330476 637780302 /nfs/dbraw/zinc/78/03/02/637780302.db2.gz LNTFVCIVSKPCME-ZETCQYMHSA-N 2 1 222.292 0.730 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=S)NCC[NH+](C)C ZINC000905547745 637851673 /nfs/dbraw/zinc/85/16/73/637851673.db2.gz IRXTYCLDOTVPBD-SNVBAGLBSA-N 2 1 244.408 0.106 20 0 BCADMP CCO[C@@H](C[NH2+]C[C@H](O)C1CC1)C[NH+](C)C ZINC000905580749 637854185 /nfs/dbraw/zinc/85/41/85/637854185.db2.gz PHNIBFMCJFRGEI-RYUDHWBXSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]1[C@@H](NC(=S)NCC[NH+](C)C)CC[N@H+]1C ZINC000905647632 637881401 /nfs/dbraw/zinc/88/14/01/637881401.db2.gz KPRJWYSWZNZELS-UWVGGRQHSA-N 2 1 244.408 0.105 20 0 BCADMP CC(C)[NH2+]Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC000905813910 637942741 /nfs/dbraw/zinc/94/27/41/637942741.db2.gz ZJSXGDGDFWWTBW-UHFFFAOYSA-N 2 1 248.334 0.752 20 0 BCADMP COCCCn1nccc1C[NH2+]C1CC([NH3+])C1 ZINC000906510475 638183261 /nfs/dbraw/zinc/18/32/61/638183261.db2.gz JEADTWSZRAKBOM-UHFFFAOYSA-N 2 1 238.335 0.499 20 0 BCADMP [NH3+]C1CC(NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000906510926 638183798 /nfs/dbraw/zinc/18/37/98/638183798.db2.gz NYSCIABQKLHRHG-UHFFFAOYSA-N 2 1 237.372 0.973 20 0 BCADMP [NH3+][C@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000906518870 638187129 /nfs/dbraw/zinc/18/71/29/638187129.db2.gz SWXSBPZDZIFQPV-HDJSIYSDSA-N 2 1 231.343 0.912 20 0 BCADMP Cc1cc(C)n2c(C[NH2+][C@H]3C[C@H]([NH3+])C3)cnc2n1 ZINC000906516699 638187383 /nfs/dbraw/zinc/18/73/83/638187383.db2.gz HTSYEYIPSXYSMQ-XYPYZODXSA-N 2 1 245.330 0.925 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472393 639464931 /nfs/dbraw/zinc/46/49/31/639464931.db2.gz KWTQUBHDTRHNGD-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310824 639696130 /nfs/dbraw/zinc/69/61/30/639696130.db2.gz PWRLKTDREJZLNV-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310824 639696132 /nfs/dbraw/zinc/69/61/32/639696132.db2.gz PWRLKTDREJZLNV-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000911654831 639709793 /nfs/dbraw/zinc/70/97/93/639709793.db2.gz DFKFLDQQWPFLFW-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739259 639765021 /nfs/dbraw/zinc/76/50/21/639765021.db2.gz SBYCVWYCBWDWSL-VXGBXAGGSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502476 639784318 /nfs/dbraw/zinc/78/43/18/639784318.db2.gz JOMOHCQGFKAKAN-ZDUSSCGKSA-N 2 1 245.411 0.573 20 0 BCADMP CC[C@H](CO)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502375 639785460 /nfs/dbraw/zinc/78/54/60/639785460.db2.gz JOMOHCQGFKAKAN-CYBMUJFWSA-N 2 1 245.411 0.573 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911828092 639839368 /nfs/dbraw/zinc/83/93/68/639839368.db2.gz YYCAJMKIUZZTMG-NWDGAFQWSA-N 2 1 241.379 0.959 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911828093 639839823 /nfs/dbraw/zinc/83/98/23/639839823.db2.gz YYCAJMKIUZZTMG-RYUDHWBXSA-N 2 1 241.379 0.959 20 0 BCADMP CC[C@H](CO)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902975 639979141 /nfs/dbraw/zinc/97/91/41/639979141.db2.gz FIDRRUVVNBLLFZ-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](CO)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902975 639979150 /nfs/dbraw/zinc/97/91/50/639979150.db2.gz FIDRRUVVNBLLFZ-VXGBXAGGSA-N 2 1 230.352 0.146 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOC2CC2)C1 ZINC000930904973 639979756 /nfs/dbraw/zinc/97/97/56/639979756.db2.gz XKGHYFAQMAIXEA-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOC2CC2)C1 ZINC000930904973 639979762 /nfs/dbraw/zinc/97/97/62/639979762.db2.gz XKGHYFAQMAIXEA-ZDUSSCGKSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285729 640137409 /nfs/dbraw/zinc/13/74/09/640137409.db2.gz OHVNUKYUEHBYIF-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285729 640137415 /nfs/dbraw/zinc/13/74/15/640137415.db2.gz OHVNUKYUEHBYIF-LBPRGKRZSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356247 640169630 /nfs/dbraw/zinc/16/96/30/640169630.db2.gz TWQAEUHLVHMIQM-QWRGUYRKSA-N 2 1 230.352 0.144 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931390372 640174328 /nfs/dbraw/zinc/17/43/28/640174328.db2.gz ULCSJTKVSONBHZ-UPJWGTAASA-N 2 1 223.364 0.859 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931390372 640174330 /nfs/dbraw/zinc/17/43/30/640174330.db2.gz ULCSJTKVSONBHZ-UPJWGTAASA-N 2 1 223.364 0.859 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931390372 640174335 /nfs/dbraw/zinc/17/43/35/640174335.db2.gz ULCSJTKVSONBHZ-UPJWGTAASA-N 2 1 223.364 0.859 20 0 BCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931425126 640192662 /nfs/dbraw/zinc/19/26/62/640192662.db2.gz FOHPDVHWRVLHNB-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931425126 640192667 /nfs/dbraw/zinc/19/26/67/640192667.db2.gz FOHPDVHWRVLHNB-GRYCIOLGSA-N 2 1 239.363 0.347 20 0 BCADMP CC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC000931439350 640199701 /nfs/dbraw/zinc/19/97/01/640199701.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439350 640199705 /nfs/dbraw/zinc/19/97/05/640199705.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439350 640199709 /nfs/dbraw/zinc/19/97/09/640199709.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439350 640199713 /nfs/dbraw/zinc/19/97/13/640199713.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP CC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439350 640199715 /nfs/dbraw/zinc/19/97/15/640199715.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 1 240.347 0.210 20 0 BCADMP Cc1nnc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)o1 ZINC000931431056 640199969 /nfs/dbraw/zinc/19/99/69/640199969.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 1 236.319 0.762 20 0 BCADMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931434257 640203418 /nfs/dbraw/zinc/20/34/18/640203418.db2.gz RQNOEULXQCSYFC-OLZOCXBDSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cn1 ZINC000931434257 640203423 /nfs/dbraw/zinc/20/34/23/640203423.db2.gz RQNOEULXQCSYFC-OLZOCXBDSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC000931434257 640203427 /nfs/dbraw/zinc/20/34/27/640203427.db2.gz RQNOEULXQCSYFC-OLZOCXBDSA-N 2 1 234.347 0.804 20 0 BCADMP CN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931439252 640205303 /nfs/dbraw/zinc/20/53/03/640205303.db2.gz NTRQWWIJRJHETG-QJPTWQEYSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1=O ZINC000931439252 640205309 /nfs/dbraw/zinc/20/53/09/640205309.db2.gz NTRQWWIJRJHETG-QJPTWQEYSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000931439252 640205320 /nfs/dbraw/zinc/20/53/20/640205320.db2.gz NTRQWWIJRJHETG-QJPTWQEYSA-N 2 1 237.347 0.101 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439311 640207297 /nfs/dbraw/zinc/20/72/97/640207297.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439311 640207301 /nfs/dbraw/zinc/20/73/01/640207301.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439311 640207304 /nfs/dbraw/zinc/20/73/04/640207304.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP CN1CCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439311 640207309 /nfs/dbraw/zinc/20/73/09/640207309.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP CN1CCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439311 640207312 /nfs/dbraw/zinc/20/73/12/640207312.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP CN1CCC[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439311 640207318 /nfs/dbraw/zinc/20/73/18/640207318.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP CN1CCC[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439311 640207322 /nfs/dbraw/zinc/20/73/22/640207322.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 1 237.391 0.964 20 0 BCADMP Cc1nonc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931439500 640207653 /nfs/dbraw/zinc/20/76/53/640207653.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 1 236.319 0.762 20 0 BCADMP C[N@@H+]1CC[C@@H]2CN(CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208932 /nfs/dbraw/zinc/20/89/32/640208932.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 1 230.377 0.248 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208941 /nfs/dbraw/zinc/20/89/41/640208941.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 1 230.377 0.248 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912906510 640234775 /nfs/dbraw/zinc/23/47/75/640234775.db2.gz FXGAVKCGHZUERH-NWDGAFQWSA-N 2 1 237.347 0.245 20 0 BCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902720 640245219 /nfs/dbraw/zinc/24/52/19/640245219.db2.gz IQRFBESBJUGXIM-RYUDHWBXSA-N 2 1 237.347 0.387 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931701197 640325017 /nfs/dbraw/zinc/32/50/17/640325017.db2.gz XMSKJAYHZDFSSG-NWDGAFQWSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CO ZINC000931702809 640326937 /nfs/dbraw/zinc/32/69/37/640326937.db2.gz DYDYKTJZSWDPCN-ZDUSSCGKSA-N 2 1 244.379 0.538 20 0 BCADMP CC[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044648407 640446213 /nfs/dbraw/zinc/44/62/13/640446213.db2.gz UIKVXZHHEPCHLM-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224223590 640605818 /nfs/dbraw/zinc/60/58/18/640605818.db2.gz GVLGYSGMQHHFCM-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224223590 640605822 /nfs/dbraw/zinc/60/58/22/640605822.db2.gz GVLGYSGMQHHFCM-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030153879 640638786 /nfs/dbraw/zinc/63/87/86/640638786.db2.gz FPAOFUJDFFEESZ-LBPRGKRZSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030153879 640638791 /nfs/dbraw/zinc/63/87/91/640638791.db2.gz FPAOFUJDFFEESZ-LBPRGKRZSA-N 2 1 239.363 0.537 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328424 640748470 /nfs/dbraw/zinc/74/84/70/640748470.db2.gz MTILQJLYMFVXPO-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCCCCCO)CCO1 ZINC000226434280 640764229 /nfs/dbraw/zinc/76/42/29/640764229.db2.gz MKPGIOUJPXVFDJ-NWDGAFQWSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000226434280 640764233 /nfs/dbraw/zinc/76/42/33/640764233.db2.gz MKPGIOUJPXVFDJ-NWDGAFQWSA-N 2 1 230.352 0.587 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226539962 640773769 /nfs/dbraw/zinc/77/37/69/640773769.db2.gz VYXREODAAHPIOT-JQWIXIFHSA-N 2 1 222.336 0.632 20 0 BCADMP COC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227128227 640817067 /nfs/dbraw/zinc/81/70/67/640817067.db2.gz MFNGLCOSSYTEAE-FGNRJIRKSA-N 2 1 228.336 0.209 20 0 BCADMP COC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541027 640838938 /nfs/dbraw/zinc/83/89/38/640838938.db2.gz SAMQWIIKDSHFFU-BIMULSAOSA-N 2 1 236.315 0.728 20 0 BCADMP C[N@@H+](CCNC(=O)CCCCC[NH3+])C1CC1 ZINC000059931308 640841371 /nfs/dbraw/zinc/84/13/71/640841371.db2.gz BQOZJOLRBJPVRZ-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000169118753 640842236 /nfs/dbraw/zinc/84/22/36/640842236.db2.gz DHGIWKRSFCYBEL-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000169118753 640842239 /nfs/dbraw/zinc/84/22/39/640842239.db2.gz DHGIWKRSFCYBEL-SRVKXCTJSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000169118927 640842432 /nfs/dbraw/zinc/84/24/32/640842432.db2.gz DHGIWKRSFCYBEL-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000169118927 640842434 /nfs/dbraw/zinc/84/24/34/640842434.db2.gz DHGIWKRSFCYBEL-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP CCOCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227768587 640847873 /nfs/dbraw/zinc/84/78/73/640847873.db2.gz VSEZSUJPWUXISU-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547963 640881122 /nfs/dbraw/zinc/88/11/22/640881122.db2.gz MFYGTWGYBQNFQJ-UMSGYPCISA-N 2 1 242.363 0.443 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258360 640939181 /nfs/dbraw/zinc/93/91/81/640939181.db2.gz UWPDXNRDSQTOHX-QJPTWQEYSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229255316 640939290 /nfs/dbraw/zinc/93/92/90/640939290.db2.gz VYSOBWKLKZBVPD-WDEREUQCSA-N 2 1 227.352 0.572 20 0 BCADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256753 640940409 /nfs/dbraw/zinc/94/04/09/640940409.db2.gz MHCBBCLUKGKVDM-VXGBXAGGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000230063691 641011166 /nfs/dbraw/zinc/01/11/66/641011166.db2.gz ULBFWKMTOYRZEM-GFCCVEGCSA-N 2 1 239.363 0.714 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063606 641011193 /nfs/dbraw/zinc/01/11/93/641011193.db2.gz YVSJVXKBBOTJBT-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP Cn1nccc1CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000230749832 641097224 /nfs/dbraw/zinc/09/72/24/641097224.db2.gz OFLFJCRJRKHODE-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000230900141 641115860 /nfs/dbraw/zinc/11/58/60/641115860.db2.gz JKOKVLCFKYRXGB-LLVKDONJSA-N 2 1 222.336 0.633 20 0 BCADMP COC(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121051 641135138 /nfs/dbraw/zinc/13/51/38/641135138.db2.gz UEIJIECYDMZUBA-UHFFFAOYSA-N 2 1 214.309 0.433 20 0 BCADMP COC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121051 641135142 /nfs/dbraw/zinc/13/51/42/641135142.db2.gz UEIJIECYDMZUBA-UHFFFAOYSA-N 2 1 214.309 0.433 20 0 BCADMP C[N@@H+](CCC(N)=O)CC1CC[NH+](C)CC1 ZINC000063121486 641135529 /nfs/dbraw/zinc/13/55/29/641135529.db2.gz NJKBREDTOHMRQA-UHFFFAOYSA-N 2 1 213.325 0.135 20 0 BCADMP CC[N@@H+](CC(=O)NC12CC[NH+](CC1)C2)C1CC1 ZINC000913631333 641428783 /nfs/dbraw/zinc/42/87/83/641428783.db2.gz QBQFDIVECSHPMH-UHFFFAOYSA-N 2 1 237.347 0.435 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964558 641529638 /nfs/dbraw/zinc/52/96/38/641529638.db2.gz VRFQPPPAHNNAMD-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964558 641529646 /nfs/dbraw/zinc/52/96/46/641529646.db2.gz VRFQPPPAHNNAMD-PWSUYJOCSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)O)C1 ZINC000929782577 641542833 /nfs/dbraw/zinc/54/28/33/641542833.db2.gz XFUZHJKVDAWVAQ-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929782577 641542836 /nfs/dbraw/zinc/54/28/36/641542836.db2.gz XFUZHJKVDAWVAQ-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000929782577 641542840 /nfs/dbraw/zinc/54/28/40/641542840.db2.gz XFUZHJKVDAWVAQ-RWMBFGLXSA-N 2 1 244.379 0.392 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226417679 641600162 /nfs/dbraw/zinc/60/01/62/641600162.db2.gz WKKRNYSFMUFDQQ-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226417679 641600168 /nfs/dbraw/zinc/60/01/68/641600168.db2.gz WKKRNYSFMUFDQQ-LLVKDONJSA-N 2 1 200.326 0.962 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000914391394 641657815 /nfs/dbraw/zinc/65/78/15/641657815.db2.gz IHKBVFVXHJBIDT-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000914391394 641657819 /nfs/dbraw/zinc/65/78/19/641657819.db2.gz IHKBVFVXHJBIDT-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914391394 641657822 /nfs/dbraw/zinc/65/78/22/641657822.db2.gz IHKBVFVXHJBIDT-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031385786 642051340 /nfs/dbraw/zinc/05/13/40/642051340.db2.gz OJAFMLJUXLIVBN-NSHDSACASA-N 2 1 237.347 0.149 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031385786 642051348 /nfs/dbraw/zinc/05/13/48/642051348.db2.gz OJAFMLJUXLIVBN-NSHDSACASA-N 2 1 237.347 0.149 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031390771 642060370 /nfs/dbraw/zinc/06/03/70/642060370.db2.gz SGHOMIVZPLOEPF-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154747216 642217237 /nfs/dbraw/zinc/21/72/37/642217237.db2.gz JITVNIXRFKZJNA-UHFFFAOYSA-N 2 1 227.352 0.348 20 0 BCADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971200247 642324230 /nfs/dbraw/zinc/32/42/30/642324230.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971200247 642324234 /nfs/dbraw/zinc/32/42/34/642324234.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971200247 642324240 /nfs/dbraw/zinc/32/42/40/642324240.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307929574 642347139 /nfs/dbraw/zinc/34/71/39/642347139.db2.gz APVYQGWMYBMFRP-SSDOTTSWSA-N 2 1 214.231 0.580 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307943011 642353843 /nfs/dbraw/zinc/35/38/43/642353843.db2.gz QVVPKYPKTRISSR-JGVFFNPUSA-N 2 1 226.242 0.580 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000924022921 642370408 /nfs/dbraw/zinc/37/04/08/642370408.db2.gz UXLRZHLRTTXTDJ-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000924022921 642370416 /nfs/dbraw/zinc/37/04/16/642370416.db2.gz UXLRZHLRTTXTDJ-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000924022921 642370423 /nfs/dbraw/zinc/37/04/23/642370423.db2.gz UXLRZHLRTTXTDJ-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCCCCC[NH3+] ZINC000308129324 642402167 /nfs/dbraw/zinc/40/21/67/642402167.db2.gz CWQCGLYRXQJOEE-UHFFFAOYSA-N 2 1 215.341 0.573 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@H]1CCC[NH2+]C1 ZINC000233455467 642670871 /nfs/dbraw/zinc/67/08/71/642670871.db2.gz IMAZUICNFLTXBE-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962592625 642730008 /nfs/dbraw/zinc/73/00/08/642730008.db2.gz SIZBPOAOSCISSQ-WYUUTHIRSA-N 2 1 237.347 0.004 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962592625 642730012 /nfs/dbraw/zinc/73/00/12/642730012.db2.gz SIZBPOAOSCISSQ-WYUUTHIRSA-N 2 1 237.347 0.004 20 0 BCADMP CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962592625 642730016 /nfs/dbraw/zinc/73/00/16/642730016.db2.gz SIZBPOAOSCISSQ-WYUUTHIRSA-N 2 1 237.347 0.004 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000068953500 642813811 /nfs/dbraw/zinc/81/38/11/642813811.db2.gz FFEIRZRZWPLYPF-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969099912 642822815 /nfs/dbraw/zinc/82/28/15/642822815.db2.gz VAHRSHYSNQYLNW-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CC1CC[NH+](Cc2nonc2C)CC1 ZINC000069795575 642908166 /nfs/dbraw/zinc/90/81/66/642908166.db2.gz GHSPKXHSBAEVGK-UHFFFAOYSA-N 2 1 224.308 0.809 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCF)C2)C1 ZINC001016254857 642956262 /nfs/dbraw/zinc/95/62/62/642956262.db2.gz LJDRUJWMNOUMLO-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001016254857 642956278 /nfs/dbraw/zinc/95/62/78/642956278.db2.gz LJDRUJWMNOUMLO-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001016254857 642956294 /nfs/dbraw/zinc/95/62/94/642956294.db2.gz LJDRUJWMNOUMLO-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001016254857 642956308 /nfs/dbraw/zinc/95/63/08/642956308.db2.gz LJDRUJWMNOUMLO-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001016254857 642956322 /nfs/dbraw/zinc/95/63/22/642956322.db2.gz LJDRUJWMNOUMLO-GHMZBOCLSA-N 2 1 243.326 0.098 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019655546 643038363 /nfs/dbraw/zinc/03/83/63/643038363.db2.gz UGUJUXRWJBIXGH-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969409523 643168228 /nfs/dbraw/zinc/16/82/28/643168228.db2.gz CKHKDTULTUFSEW-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253251446 643190327 /nfs/dbraw/zinc/19/03/27/643190327.db2.gz WQBHCZYUYOJEBX-WDEREUQCSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CC[N@H+]1C ZINC000925339225 643218158 /nfs/dbraw/zinc/21/81/58/643218158.db2.gz WWVFFOVDUCFBFV-WDEREUQCSA-N 2 1 240.351 0.084 20 0 BCADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000233744166 643245483 /nfs/dbraw/zinc/24/54/83/643245483.db2.gz JYFCLNQRRADIEP-NXEZZACHSA-N 2 1 200.326 0.999 20 0 BCADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000082474937 643510904 /nfs/dbraw/zinc/51/09/04/643510904.db2.gz RKLMGBWHJOZSHX-PSASIEDQSA-N 2 1 212.293 0.361 20 0 BCADMP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970879489 643584358 /nfs/dbraw/zinc/58/43/58/643584358.db2.gz ZCSJNWRVVROHTB-GHMZBOCLSA-N 2 1 239.363 0.395 20 0 BCADMP CNc1cc(NC[C@@H](C)[NH+](C)C)nc[nH+]1 ZINC000087825509 643674348 /nfs/dbraw/zinc/67/43/48/643674348.db2.gz OIQWRRMOKICHEK-MRVPVSSYSA-N 2 1 209.297 0.880 20 0 BCADMP CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999832560 643740977 /nfs/dbraw/zinc/74/09/77/643740977.db2.gz TVBDEDWUNNCAAZ-UNXYVOJBSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000922479687 644002653 /nfs/dbraw/zinc/00/26/53/644002653.db2.gz YKONWWUEUXVCJL-AXFHLTTASA-N 2 1 242.367 0.328 20 0 BCADMP C[N@@H+](CCc1cccs1)C[C@H](O)C[NH3+] ZINC000086440846 644137235 /nfs/dbraw/zinc/13/72/35/644137235.db2.gz HZERSJPZXRHMLY-SECBINFHSA-N 2 1 214.334 0.542 20 0 BCADMP CC[N@@H+](CCC(=O)NC)CC1CC[NH2+]CC1 ZINC000086703148 644166263 /nfs/dbraw/zinc/16/62/63/644166263.db2.gz QGOKXDGCFLFRKT-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)CSC)C1 ZINC000923283739 644309266 /nfs/dbraw/zinc/30/92/66/644309266.db2.gz XVIOHBYCSXKVRS-GHMZBOCLSA-N 2 1 232.393 0.642 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282763 644317981 /nfs/dbraw/zinc/31/79/81/644317981.db2.gz XQMTUKVHIACEIF-NEPJUHHUSA-N 2 1 230.352 0.445 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282575 644318810 /nfs/dbraw/zinc/31/88/10/644318810.db2.gz VWEIZYOGXMNXIE-NWDGAFQWSA-N 2 1 230.352 0.301 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923290502 644323420 /nfs/dbraw/zinc/32/34/20/644323420.db2.gz XQLUPKBPDXGXOD-DCAQKATOSA-N 2 1 216.325 0.053 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923290502 644323427 /nfs/dbraw/zinc/32/34/27/644323427.db2.gz XQLUPKBPDXGXOD-DCAQKATOSA-N 2 1 216.325 0.053 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923299104 644325693 /nfs/dbraw/zinc/32/56/93/644325693.db2.gz IEHRRZGDBZCIGH-TUAOUCFPSA-N 2 1 240.347 0.474 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000923290828 644326995 /nfs/dbraw/zinc/32/69/95/644326995.db2.gz OSNAQNWPNWACEH-OLZOCXBDSA-N 2 1 244.379 0.561 20 0 BCADMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299930 644327046 /nfs/dbraw/zinc/32/70/46/644327046.db2.gz JMTLGRNMABBRBV-AVGNSLFASA-N 2 1 220.316 0.969 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923295130 644331645 /nfs/dbraw/zinc/33/16/45/644331645.db2.gz UTPWWQHUUKAKDX-SECBINFHSA-N 2 1 220.382 0.627 20 0 BCADMP CC[N@@H+](C[C@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308205 644337072 /nfs/dbraw/zinc/33/70/72/644337072.db2.gz GKMLGDLLUNHATO-USZNOCQGSA-N 2 1 228.336 0.338 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301178 644338300 /nfs/dbraw/zinc/33/83/00/644338300.db2.gz PJNWXOGIWTYFAR-RYUDHWBXSA-N 2 1 240.347 0.476 20 0 BCADMP CC[C@@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923312126 644340369 /nfs/dbraw/zinc/34/03/69/644340369.db2.gz BVDNKFCRFRKTSL-RCWTZXSCSA-N 2 1 200.326 0.815 20 0 BCADMP CC[C@H](C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923312125 644341244 /nfs/dbraw/zinc/34/12/44/644341244.db2.gz BVDNKFCRFRKTSL-NAKRPEOUSA-N 2 1 200.326 0.815 20 0 BCADMP CC[N@@H+](CCCO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314196 644341515 /nfs/dbraw/zinc/34/15/15/644341515.db2.gz SJFLQDAIUVSUEU-LLVKDONJSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309717 644346345 /nfs/dbraw/zinc/34/63/45/644346345.db2.gz ZIFLLCVQGCGBHJ-MNOVXSKESA-N 2 1 210.321 0.707 20 0 BCADMP CC(C)(C)[C@H]([NH2+]CCC[NH2+]C1CC1)C(N)=O ZINC000923319648 644346612 /nfs/dbraw/zinc/34/66/12/644346612.db2.gz YHHCOGJXZSKCOZ-SNVBAGLBSA-N 2 1 227.352 0.618 20 0 BCADMP C[N@H+](Cc1cn[nH]c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923323912 644351978 /nfs/dbraw/zinc/35/19/78/644351978.db2.gz AZYYUCUZGWZJQV-NSHDSACASA-N 2 1 236.319 0.220 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923333735 644354692 /nfs/dbraw/zinc/35/46/92/644354692.db2.gz RYBKWALXXIDWSI-IRCOFANPSA-N 2 1 244.404 0.770 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923333665 644355451 /nfs/dbraw/zinc/35/54/51/644355451.db2.gz RDVMLUUHVAXUSF-BJDJZHNGSA-N 2 1 228.336 0.053 20 0 BCADMP CCOC[C@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336167 644356902 /nfs/dbraw/zinc/35/69/02/644356902.db2.gz QXUKSJMTTMFRKX-CHWSQXEVSA-N 2 1 244.379 0.848 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331679 644360204 /nfs/dbraw/zinc/36/02/04/644360204.db2.gz MSJMQMUFIRFRBC-OLZOCXBDSA-N 2 1 242.363 0.459 20 0 BCADMP CCOCCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923348901 644363482 /nfs/dbraw/zinc/36/34/82/644363482.db2.gz OABZRWXHFVXUSK-TXEJJXNPSA-N 2 1 228.336 0.191 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923345872 644364005 /nfs/dbraw/zinc/36/40/05/644364005.db2.gz QVMBVYORMHYUJS-AVGNSLFASA-N 2 1 244.379 0.833 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923358360 644367267 /nfs/dbraw/zinc/36/72/67/644367267.db2.gz ZDCPJVOBOSBAML-QWHCGFSZSA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923358360 644367269 /nfs/dbraw/zinc/36/72/69/644367269.db2.gz ZDCPJVOBOSBAML-QWHCGFSZSA-N 2 1 244.379 0.832 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923357682 644367645 /nfs/dbraw/zinc/36/76/45/644367645.db2.gz ZWCSCAWZYUGUBM-VXGBXAGGSA-N 2 1 230.352 0.445 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358497 644368126 /nfs/dbraw/zinc/36/81/26/644368126.db2.gz HSDYPYJKFWXABZ-AXFHLTTASA-N 2 1 230.377 0.394 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923354248 644370257 /nfs/dbraw/zinc/37/02/57/644370257.db2.gz BAQUTOMSDNEPBH-CHWSQXEVSA-N 2 1 244.379 0.691 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356201 644371831 /nfs/dbraw/zinc/37/18/31/644371831.db2.gz RAPIOXMSRDQLOY-NEPJUHHUSA-N 2 1 244.404 0.786 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366276 644377058 /nfs/dbraw/zinc/37/70/58/644377058.db2.gz JGKUUKKFLZTMAK-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000923366153 644377580 /nfs/dbraw/zinc/37/75/80/644377580.db2.gz KDPOTGYNXNKENB-MNOVXSKESA-N 2 1 218.341 0.035 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923366062 644377997 /nfs/dbraw/zinc/37/79/97/644377997.db2.gz ZDUNZHIDHANVMN-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923366062 644377999 /nfs/dbraw/zinc/37/79/99/644377999.db2.gz ZDUNZHIDHANVMN-AVGNSLFASA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)OC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923370708 644380475 /nfs/dbraw/zinc/38/04/75/644380475.db2.gz QJVYUNSTWNMHNA-FDYHWXHSSA-N 2 1 244.379 0.748 20 0 BCADMP CCOC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923371636 644383927 /nfs/dbraw/zinc/38/39/27/644383927.db2.gz CNYKXHAZTFZBLG-STQMWFEESA-N 2 1 244.379 0.881 20 0 BCADMP c1ncn([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923372303 644384328 /nfs/dbraw/zinc/38/43/28/644384328.db2.gz ZOHLYFYBBXTQKO-GFCCVEGCSA-N 2 1 235.335 0.667 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923372303 644384331 /nfs/dbraw/zinc/38/43/31/644384331.db2.gz ZOHLYFYBBXTQKO-GFCCVEGCSA-N 2 1 235.335 0.667 20 0 BCADMP CC(C)OCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923361623 644386180 /nfs/dbraw/zinc/38/61/80/644386180.db2.gz HUJMYQPDRGPKHZ-LBPRGKRZSA-N 2 1 244.379 0.976 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923361623 644386181 /nfs/dbraw/zinc/38/61/81/644386181.db2.gz HUJMYQPDRGPKHZ-LBPRGKRZSA-N 2 1 244.379 0.976 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375674 644389193 /nfs/dbraw/zinc/38/91/93/644389193.db2.gz OYEKNWLFCRZLRS-UPJWGTAASA-N 2 1 244.379 0.691 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1cncc(F)c1 ZINC000923378308 644392182 /nfs/dbraw/zinc/39/21/82/644392182.db2.gz JWGMPZXZKHTTOA-VNLLXPHSSA-N 2 1 239.294 0.722 20 0 BCADMP CCOCCOCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923380124 644393502 /nfs/dbraw/zinc/39/35/02/644393502.db2.gz VHUBBSPHQOGKHT-LBPRGKRZSA-N 2 1 246.351 0.089 20 0 BCADMP CCOCCOCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923380124 644393505 /nfs/dbraw/zinc/39/35/05/644393505.db2.gz VHUBBSPHQOGKHT-LBPRGKRZSA-N 2 1 246.351 0.089 20 0 BCADMP CCOCCOCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923380121 644394839 /nfs/dbraw/zinc/39/48/39/644394839.db2.gz VHUBBSPHQOGKHT-GFCCVEGCSA-N 2 1 246.351 0.089 20 0 BCADMP CCOCCOCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923380121 644394843 /nfs/dbraw/zinc/39/48/43/644394843.db2.gz VHUBBSPHQOGKHT-GFCCVEGCSA-N 2 1 246.351 0.089 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923390026 644395491 /nfs/dbraw/zinc/39/54/91/644395491.db2.gz AUUBKIGWFJXBDY-RWMBFGLXSA-N 2 1 244.379 0.832 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923390608 644396064 /nfs/dbraw/zinc/39/60/64/644396064.db2.gz BREQJMKPDPLOHN-RVMXOQNASA-N 2 1 242.363 0.728 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923390610 644397345 /nfs/dbraw/zinc/39/73/45/644397345.db2.gz BREQJMKPDPLOHN-UMSGYPCISA-N 2 1 242.363 0.728 20 0 BCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCO)C1 ZINC000923389926 644397380 /nfs/dbraw/zinc/39/73/80/644397380.db2.gz AGBXOXRNBVBGAS-UTUOFQBUSA-N 2 1 228.336 0.340 20 0 BCADMP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923387291 644398218 /nfs/dbraw/zinc/39/82/18/644398218.db2.gz CPXITXBPPHQDRW-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923387291 644398221 /nfs/dbraw/zinc/39/82/21/644398221.db2.gz CPXITXBPPHQDRW-FRRDWIJNSA-N 2 1 244.379 0.833 20 0 BCADMP CSC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387129 644399149 /nfs/dbraw/zinc/39/91/49/644399149.db2.gz UWAQIXSAQQETEX-QMMMGPOBSA-N 2 1 206.355 0.379 20 0 BCADMP CSC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387129 644399158 /nfs/dbraw/zinc/39/91/58/644399158.db2.gz UWAQIXSAQQETEX-QMMMGPOBSA-N 2 1 206.355 0.379 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923386928 644399812 /nfs/dbraw/zinc/39/98/12/644399812.db2.gz LGERXDQVGLSZSK-GRYCIOLGSA-N 2 1 230.352 0.443 20 0 BCADMP CSC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387128 644399947 /nfs/dbraw/zinc/39/99/47/644399947.db2.gz UWAQIXSAQQETEX-MRVPVSSYSA-N 2 1 206.355 0.379 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387128 644399953 /nfs/dbraw/zinc/39/99/53/644399953.db2.gz UWAQIXSAQQETEX-MRVPVSSYSA-N 2 1 206.355 0.379 20 0 BCADMP CCOCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399108 644403970 /nfs/dbraw/zinc/40/39/70/644403970.db2.gz ODNQMTQUPLGGJE-NWDGAFQWSA-N 2 1 242.363 0.648 20 0 BCADMP C[N@@H+](CC1=CCSC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396902 644405067 /nfs/dbraw/zinc/40/50/67/644405067.db2.gz ILCSQWHRPDAYKT-DCAQKATOSA-N 2 1 228.361 0.442 20 0 BCADMP C[C@H](O)C[N@H+](CC[NH3+])C1CCCCC1 ZINC000083677593 644407089 /nfs/dbraw/zinc/40/70/89/644407089.db2.gz IVJZDXLUTJSTIN-JTQLQIEISA-N 2 1 200.326 0.961 20 0 BCADMP C[C@H](O)C[N@@H+](CC[NH3+])C1CCCCC1 ZINC000083677593 644407094 /nfs/dbraw/zinc/40/70/94/644407094.db2.gz IVJZDXLUTJSTIN-JTQLQIEISA-N 2 1 200.326 0.961 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409819 644411684 /nfs/dbraw/zinc/41/16/84/644411684.db2.gz UXKLLUIISIMDOG-SDDRHHMPSA-N 2 1 244.404 0.642 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411542 644414643 /nfs/dbraw/zinc/41/46/43/644414643.db2.gz NADRFEMQCKZVQY-OPRDCNLKSA-N 2 1 218.366 0.237 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411541 644415290 /nfs/dbraw/zinc/41/52/90/644415290.db2.gz NADRFEMQCKZVQY-LPEHRKFASA-N 2 1 218.366 0.237 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](CF)C2)C1 ZINC000923424864 644418692 /nfs/dbraw/zinc/41/86/92/644418692.db2.gz ULZIIWOSQKEKDW-RCWTZXSCSA-N 2 1 216.300 0.519 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923424379 644419338 /nfs/dbraw/zinc/41/93/38/644419338.db2.gz WZIXSVSHJLRFBP-NSHDSACASA-N 2 1 244.404 0.928 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429276 644421774 /nfs/dbraw/zinc/42/17/74/644421774.db2.gz YJQADAQGUOYFTQ-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427780 644422394 /nfs/dbraw/zinc/42/23/94/644422394.db2.gz VVDSYGBPSTYEKU-GARJFASQSA-N 2 1 230.377 0.252 20 0 BCADMP C([C@H]1CCOC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455126 644435585 /nfs/dbraw/zinc/43/55/85/644435585.db2.gz QMHZEHCBKSCZIJ-GRYCIOLGSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@H]1CCOC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455126 644435589 /nfs/dbraw/zinc/43/55/89/644435589.db2.gz QMHZEHCBKSCZIJ-GRYCIOLGSA-N 2 1 210.321 0.707 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000923481032 644458359 /nfs/dbraw/zinc/45/83/59/644458359.db2.gz FTHWSVZKXSIZGX-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP C[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000086235247 644458800 /nfs/dbraw/zinc/45/88/00/644458800.db2.gz ALUUDNAIWLIDID-UHFFFAOYSA-N 2 1 200.326 0.831 20 0 BCADMP Cc1nonc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488123 644463156 /nfs/dbraw/zinc/46/31/56/644463156.db2.gz DNKLXCDUWRYZPQ-WPRPVWTQSA-N 2 1 224.308 0.795 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495294 644463661 /nfs/dbraw/zinc/46/36/61/644463661.db2.gz BFZLKIKKTNGQSQ-UTLUCORTSA-N 2 1 214.309 0.465 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC000923488922 644464457 /nfs/dbraw/zinc/46/44/57/644464457.db2.gz IDZXROSCIRGCQB-ZYHUDNBSSA-N 2 1 222.336 0.869 20 0 BCADMP C[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923489429 644464480 /nfs/dbraw/zinc/46/44/80/644464480.db2.gz JXFSYXWQSJSPKQ-RYUDHWBXSA-N 2 1 236.363 0.879 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490160 644466055 /nfs/dbraw/zinc/46/60/55/644466055.db2.gz BONITBKQWNDHAT-GRYCIOLGSA-N 2 1 230.352 0.301 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491893 644467048 /nfs/dbraw/zinc/46/70/48/644467048.db2.gz KHCWSSAIOAEABK-NDBYEHHHSA-N 3 1 225.380 0.759 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492863 644467144 /nfs/dbraw/zinc/46/71/44/644467144.db2.gz QKYNHINYOJWDOQ-UPJWGTAASA-N 2 1 244.379 0.691 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1C[NH3+] ZINC000923492810 644467558 /nfs/dbraw/zinc/46/75/58/644467558.db2.gz OZQNMTFRJTUYRI-IUCAKERBSA-N 2 1 226.349 0.955 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491828 644468011 /nfs/dbraw/zinc/46/80/11/644468011.db2.gz UJEUUPRKYVQCQP-VWYCJHECSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1C[NH3+] ZINC000923491500 644468068 /nfs/dbraw/zinc/46/80/68/644468068.db2.gz SMZBHZBEVRVGIC-UWVGGRQHSA-N 2 1 208.309 0.826 20 0 BCADMP CCOC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497084 644469347 /nfs/dbraw/zinc/46/93/47/644469347.db2.gz KTRJQPKCMWMCKF-VHSXEESVSA-N 2 1 214.309 0.466 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494258 644469958 /nfs/dbraw/zinc/46/99/58/644469958.db2.gz WXLULJOSJDHYHM-QWHCGFSZSA-N 2 1 244.379 0.956 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CC[C@H]1C[NH3+] ZINC000923496990 644470061 /nfs/dbraw/zinc/47/00/61/644470061.db2.gz DEBHNZPTIQXOHQ-KXUCPTDWSA-N 2 1 212.293 0.219 20 0 BCADMP C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@H]1C[NH3+] ZINC000923495051 644470176 /nfs/dbraw/zinc/47/01/76/644470176.db2.gz SNNSVPFJZWUADM-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1C[NH3+] ZINC000923495051 644470181 /nfs/dbraw/zinc/47/01/81/644470181.db2.gz SNNSVPFJZWUADM-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497076 644471110 /nfs/dbraw/zinc/47/11/10/644471110.db2.gz KTOQZLOPUIPRMQ-MNOVXSKESA-N 2 1 228.336 0.856 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499333 644474024 /nfs/dbraw/zinc/47/40/24/644474024.db2.gz JYGKJQUWGDMLPD-HRDYMLBCSA-N 2 1 240.269 0.826 20 0 BCADMP CCn1cc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515586 644479096 /nfs/dbraw/zinc/47/90/96/644479096.db2.gz IBWHUVPNKBQJCJ-UONOGXRCSA-N 2 1 248.374 0.987 20 0 BCADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000923516705 644479128 /nfs/dbraw/zinc/47/91/28/644479128.db2.gz OXXVHSIPZJSDGF-HZSPNIEDSA-N 3 1 237.391 0.917 20 0 BCADMP c1nc2n(n1)[C@H](C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515955 644479433 /nfs/dbraw/zinc/47/94/33/644479433.db2.gz OXESKLIEQRKESY-TUAOUCFPSA-N 2 1 247.346 0.307 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000923516077 644479829 /nfs/dbraw/zinc/47/98/29/644479829.db2.gz QMNHXCISEQRIOF-FRRDWIJNSA-N 2 1 241.379 0.234 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000923515502 644480020 /nfs/dbraw/zinc/48/00/20/644480020.db2.gz XBXHDDWOULTSLG-FDYHWXHSSA-N 2 1 224.348 0.940 20 0 BCADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515981 644480865 /nfs/dbraw/zinc/48/08/65/644480865.db2.gz PMPMTSUNDROTFF-CRWXNKLISA-N 2 1 236.359 0.954 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515805 644481328 /nfs/dbraw/zinc/48/13/28/644481328.db2.gz MQBVCVZSNHKZMO-MROQNXINSA-N 3 1 223.364 0.383 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515805 644481334 /nfs/dbraw/zinc/48/13/34/644481334.db2.gz MQBVCVZSNHKZMO-MROQNXINSA-N 2 1 223.364 0.383 20 0 BCADMP C([C@H]1C[C@]12CCOC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515982 644481529 /nfs/dbraw/zinc/48/15/29/644481529.db2.gz PMPMTSUNDROTFF-DGAVXFQQSA-N 2 1 236.359 0.954 20 0 BCADMP NC(=O)C12CCC(CC1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000923529336 644485566 /nfs/dbraw/zinc/48/55/66/644485566.db2.gz DFMBQKGUAGGNCV-XSRFYTQQSA-N 2 1 237.347 0.468 20 0 BCADMP C[NH2+]CCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000923552779 644495366 /nfs/dbraw/zinc/49/53/66/644495366.db2.gz ZJFJCWLKDJTWBV-QWRGUYRKSA-N 2 1 228.336 0.869 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000923552779 644495368 /nfs/dbraw/zinc/49/53/68/644495368.db2.gz ZJFJCWLKDJTWBV-QWRGUYRKSA-N 2 1 228.336 0.869 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000923552953 644495884 /nfs/dbraw/zinc/49/58/84/644495884.db2.gz GCXSPJVZEZIUNA-GFCCVEGCSA-N 2 1 228.336 0.463 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H](C)C1 ZINC000923552101 644495935 /nfs/dbraw/zinc/49/59/35/644495935.db2.gz UCRZAPSCPGTODI-GHMZBOCLSA-N 2 1 244.335 0.235 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000923551043 644498045 /nfs/dbraw/zinc/49/80/45/644498045.db2.gz JBFBVHIGIDMUIJ-GRYCIOLGSA-N 2 1 240.347 0.869 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000923551045 644498976 /nfs/dbraw/zinc/49/89/76/644498976.db2.gz JBFBVHIGIDMUIJ-IJLUTSLNSA-N 2 1 240.347 0.869 20 0 BCADMP COC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556271 644501869 /nfs/dbraw/zinc/50/18/69/644501869.db2.gz FXZQBSDFCBQMDH-GRYCIOLGSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000250451945 644758249 /nfs/dbraw/zinc/75/82/49/644758249.db2.gz VTUZOQUAWNNLKB-VWYCJHECSA-N 2 1 246.376 0.233 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250470033 644760415 /nfs/dbraw/zinc/76/04/15/644760415.db2.gz CLLYOQQSWSSCOH-ZGVCCVRISA-N 2 1 242.363 0.599 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250622498 644770948 /nfs/dbraw/zinc/77/09/48/644770948.db2.gz ABQALDPPKGBVKO-GVXVVHGQSA-N 2 1 223.364 0.940 20 0 BCADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000250622498 644770954 /nfs/dbraw/zinc/77/09/54/644770954.db2.gz ABQALDPPKGBVKO-GVXVVHGQSA-N 2 1 223.364 0.940 20 0 BCADMP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250615804 644771042 /nfs/dbraw/zinc/77/10/42/644771042.db2.gz ILURUOMDZPQLPV-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000251060028 644791084 /nfs/dbraw/zinc/79/10/84/644791084.db2.gz HTQWIPWIUSPQOP-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000251060028 644791089 /nfs/dbraw/zinc/79/10/89/644791089.db2.gz HTQWIPWIUSPQOP-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736964 644818188 /nfs/dbraw/zinc/81/81/88/644818188.db2.gz KQKFVCSHRANLGP-JQWIXIFHSA-N 2 1 239.363 0.429 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546944 644864373 /nfs/dbraw/zinc/86/43/73/644864373.db2.gz LBAWTEISVDKCOE-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546944 644864376 /nfs/dbraw/zinc/86/43/76/644864376.db2.gz LBAWTEISVDKCOE-SDDRHHMPSA-N 2 1 228.336 0.210 20 0 BCADMP C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000253188652 644942598 /nfs/dbraw/zinc/94/25/98/644942598.db2.gz JXGBKYYYKAHPQG-VWYCJHECSA-N 2 1 225.336 0.134 20 0 BCADMP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000844187063 645315672 /nfs/dbraw/zinc/31/56/72/645315672.db2.gz CGNVUGVGRAOJKN-GHMZBOCLSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188674 645316171 /nfs/dbraw/zinc/31/61/71/645316171.db2.gz XSSSXSMPTLDNSP-CMPLNLGQSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)CCCCC[NH3+])C1 ZINC000844188472 645316967 /nfs/dbraw/zinc/31/69/67/645316967.db2.gz UJHMGKIEODYKLN-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188675 645317596 /nfs/dbraw/zinc/31/75/96/645317596.db2.gz XSSSXSMPTLDNSP-JQWIXIFHSA-N 2 1 243.326 0.146 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1COC[C@H]1C)C[NH+](C)C ZINC000926962208 645501302 /nfs/dbraw/zinc/50/13/02/645501302.db2.gz KMWSMOIXJLCMKS-IJLUTSLNSA-N 2 1 230.352 0.578 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429761 645734666 /nfs/dbraw/zinc/73/46/66/645734666.db2.gz RVTLXEODLYPVEC-OPRDCNLKSA-N 2 1 213.325 0.145 20 0 BCADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928425111 645741847 /nfs/dbraw/zinc/74/18/47/645741847.db2.gz HBSOCWRSQABMFL-AXFHLTTASA-N 2 1 227.352 0.535 20 0 BCADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000928427389 645742673 /nfs/dbraw/zinc/74/26/73/645742673.db2.gz JYPJTXNQMRDZSE-GHMZBOCLSA-N 2 1 237.347 0.291 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123570035 645760097 /nfs/dbraw/zinc/76/00/97/645760097.db2.gz XCFFIUXOPOUKBR-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928448037 645770595 /nfs/dbraw/zinc/77/05/95/645770595.db2.gz MPPCBGIDHMGUFN-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928448037 645770598 /nfs/dbraw/zinc/77/05/98/645770598.db2.gz MPPCBGIDHMGUFN-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928448037 645770607 /nfs/dbraw/zinc/77/06/07/645770607.db2.gz MPPCBGIDHMGUFN-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000928557235 645815180 /nfs/dbraw/zinc/81/51/80/645815180.db2.gz SAVCYQLGDQLHJS-LLVKDONJSA-N 2 1 244.298 0.768 20 0 BCADMP C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000928557235 645815185 /nfs/dbraw/zinc/81/51/85/645815185.db2.gz SAVCYQLGDQLHJS-LLVKDONJSA-N 2 1 244.298 0.768 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000886839325 645890949 /nfs/dbraw/zinc/89/09/49/645890949.db2.gz BTFCQHUGECWZMX-KXNHARMFSA-N 2 1 210.321 0.692 20 0 BCADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839499 645891579 /nfs/dbraw/zinc/89/15/79/645891579.db2.gz GBZJLBLECCPVBA-NDBYEHHHSA-N 2 1 222.332 0.707 20 0 BCADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000886839499 645891584 /nfs/dbraw/zinc/89/15/84/645891584.db2.gz GBZJLBLECCPVBA-NDBYEHHHSA-N 2 1 222.332 0.707 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886839577 645891831 /nfs/dbraw/zinc/89/18/31/645891831.db2.gz HWDQSDCQHRMFPZ-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924528697 646048239 /nfs/dbraw/zinc/04/82/39/646048239.db2.gz PSXALIVRWIRTIZ-NSHDSACASA-N 2 1 241.379 0.833 20 0 BCADMP COCCOCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924582965 646075554 /nfs/dbraw/zinc/07/55/54/646075554.db2.gz QMGCVZPSAHFOAX-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COCCOCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924582965 646075559 /nfs/dbraw/zinc/07/55/59/646075559.db2.gz QMGCVZPSAHFOAX-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000924653489 646086915 /nfs/dbraw/zinc/08/69/15/646086915.db2.gz KMURJENCADRKFM-FRRDWIJNSA-N 2 1 244.379 0.968 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CO)C1 ZINC000929747448 646278714 /nfs/dbraw/zinc/27/87/14/646278714.db2.gz CSNHEWQKVMWDGM-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000929747448 646278720 /nfs/dbraw/zinc/27/87/20/646278720.db2.gz CSNHEWQKVMWDGM-VXGBXAGGSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929747447 646280634 /nfs/dbraw/zinc/28/06/34/646280634.db2.gz CSNHEWQKVMWDGM-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929747447 646280640 /nfs/dbraw/zinc/28/06/40/646280640.db2.gz CSNHEWQKVMWDGM-RYUDHWBXSA-N 2 1 230.352 0.003 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000925505574 646307018 /nfs/dbraw/zinc/30/70/18/646307018.db2.gz UUFVLRJCMICWKF-MNOVXSKESA-N 2 1 239.363 0.762 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2COCCO2)CC[N@@H+]1C ZINC000929782317 646308477 /nfs/dbraw/zinc/30/84/77/646308477.db2.gz LSLKXCSTTQQJNZ-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2COCCO2)CC[N@H+]1C ZINC000929782317 646308482 /nfs/dbraw/zinc/30/84/82/646308482.db2.gz LSLKXCSTTQQJNZ-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2COCCO2)CC[NH+]1C ZINC000929782317 646308486 /nfs/dbraw/zinc/30/84/86/646308486.db2.gz LSLKXCSTTQQJNZ-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2COCCO2)CC[NH+]1C ZINC000929782317 646308490 /nfs/dbraw/zinc/30/84/90/646308490.db2.gz LSLKXCSTTQQJNZ-FRRDWIJNSA-N 2 1 242.363 0.816 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309959 /nfs/dbraw/zinc/30/99/59/646309959.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309965 /nfs/dbraw/zinc/30/99/65/646309965.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309968 /nfs/dbraw/zinc/30/99/68/646309968.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 2 1 244.379 0.533 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000925515238 646310410 /nfs/dbraw/zinc/31/04/10/646310410.db2.gz QOQYCDZOFIHXLO-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCc1nncn1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925515971 646310720 /nfs/dbraw/zinc/31/07/20/646310720.db2.gz QUFPPCNMLCJFOS-GHMZBOCLSA-N 2 1 237.351 0.571 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000925513580 646311364 /nfs/dbraw/zinc/31/13/64/646311364.db2.gz KGFWXNFLXVYXNB-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925529883 646319183 /nfs/dbraw/zinc/31/91/83/646319183.db2.gz NBEXRCCKQSBBCI-GFCCVEGCSA-N 2 1 229.368 0.296 20 0 BCADMP COCC[N@@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925541135 646323030 /nfs/dbraw/zinc/32/30/30/646323030.db2.gz AOASGJMENMOXHW-LBPRGKRZSA-N 2 1 243.395 0.685 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574514 646342493 /nfs/dbraw/zinc/34/24/93/646342493.db2.gz RKKJXNIOCPCPEN-STQMWFEESA-N 2 1 241.379 0.439 20 0 BCADMP CCn1cnnc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925575538 646342717 /nfs/dbraw/zinc/34/27/17/646342717.db2.gz VUUSGULZUCUINN-WDEREUQCSA-N 2 1 237.351 0.571 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578186 646343181 /nfs/dbraw/zinc/34/31/81/646343181.db2.gz UMFZHWZZTDZGGR-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[NH2+]C1(C)C)CC2 ZINC000925578304 646344543 /nfs/dbraw/zinc/34/45/43/646344543.db2.gz USMWMUWYBYZKKD-MNOVXSKESA-N 2 1 249.362 0.631 20 0 BCADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925612089 646359775 /nfs/dbraw/zinc/35/97/75/646359775.db2.gz ILDGFFCFPIKRRC-JHJVBQTASA-N 2 1 244.379 0.750 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925609870 646360648 /nfs/dbraw/zinc/36/06/48/646360648.db2.gz BCGNUBKZHMDHEE-GMTAPVOTSA-N 2 1 244.404 0.973 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000925614306 646362669 /nfs/dbraw/zinc/36/26/69/646362669.db2.gz IAKLPWFQXQGFLL-ZYHUDNBSSA-N 2 1 234.347 0.997 20 0 BCADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925617279 646365381 /nfs/dbraw/zinc/36/53/81/646365381.db2.gz CIYHGECGZUTIOY-VHSXEESVSA-N 2 1 200.326 0.733 20 0 BCADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925618784 646365982 /nfs/dbraw/zinc/36/59/82/646365982.db2.gz JSAAYNJZFVMPEB-AGIUHOORSA-N 2 1 241.379 0.293 20 0 BCADMP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925623821 646370499 /nfs/dbraw/zinc/37/04/99/646370499.db2.gz SYJSJHFJVQRMPY-NSHDSACASA-N 3 1 241.379 0.173 20 0 BCADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925624712 646370570 /nfs/dbraw/zinc/37/05/70/646370570.db2.gz AULZUVDNJDDWFM-LLVKDONJSA-N 2 1 241.379 0.879 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000925624402 646370620 /nfs/dbraw/zinc/37/06/20/646370620.db2.gz WVVIWTRFGRQJFV-MWLCHTKSSA-N 2 1 230.377 0.585 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925627109 646375051 /nfs/dbraw/zinc/37/50/51/646375051.db2.gz UBWRKIAJLPLHOP-GHMZBOCLSA-N 2 1 228.336 0.258 20 0 BCADMP COC[C@@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925632653 646377059 /nfs/dbraw/zinc/37/70/59/646377059.db2.gz XFKRZWIEGRRJBE-QAWJZHMJSA-N 2 1 210.321 0.607 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925635102 646378373 /nfs/dbraw/zinc/37/83/73/646378373.db2.gz OONXLBVUVUCQMZ-UTLUCORTSA-N 2 1 200.326 0.876 20 0 BCADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925635098 646378863 /nfs/dbraw/zinc/37/88/63/646378863.db2.gz OONXLBVUVUCQMZ-KXUCPTDWSA-N 2 1 200.326 0.876 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000925653928 646391052 /nfs/dbraw/zinc/39/10/52/646391052.db2.gz CHMXHJRSSNUBEO-TUAOUCFPSA-N 2 1 242.363 0.362 20 0 BCADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000925653929 646392611 /nfs/dbraw/zinc/39/26/11/646392611.db2.gz CHMXHJRSSNUBEO-UTUOFQBUSA-N 2 1 242.363 0.362 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(=O)NCCF ZINC000925660615 646394058 /nfs/dbraw/zinc/39/40/58/646394058.db2.gz OSQRZLXQPTYIEC-LPEHRKFASA-N 2 1 243.326 0.320 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(=O)NCCF ZINC000925660613 646395804 /nfs/dbraw/zinc/39/58/04/646395804.db2.gz OSQRZLXQPTYIEC-GUBZILKMSA-N 2 1 243.326 0.320 20 0 BCADMP CCOC1CC(O)(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925660685 646396916 /nfs/dbraw/zinc/39/69/16/646396916.db2.gz SPYYPLSSYPLJEF-CQLXCSJHSA-N 2 1 242.363 0.647 20 0 BCADMP Cn1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)n1 ZINC000925659724 646397085 /nfs/dbraw/zinc/39/70/85/646397085.db2.gz FUGOWWRXYDNEJO-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP Cn1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)n1 ZINC000925659724 646397090 /nfs/dbraw/zinc/39/70/90/646397090.db2.gz FUGOWWRXYDNEJO-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925670075 646400866 /nfs/dbraw/zinc/40/08/66/646400866.db2.gz HOZWXVGHXWKASV-LLVKDONJSA-N 2 1 242.363 0.648 20 0 BCADMP CC1(C)CCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925684371 646411922 /nfs/dbraw/zinc/41/19/22/646411922.db2.gz HTJHEDLKKUIBBC-GFCCVEGCSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1 ZINC000925685516 646413307 /nfs/dbraw/zinc/41/33/07/646413307.db2.gz KAKXXQVDCPJRJQ-MISXGVKJSA-N 2 1 247.342 0.801 20 0 BCADMP Cn1cnc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925696915 646421371 /nfs/dbraw/zinc/42/13/71/646421371.db2.gz VQGCKLVUTSJWHK-NSHDSACASA-N 2 1 222.336 0.693 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC(F)(F)C[NH3+] ZINC000925699317 646422996 /nfs/dbraw/zinc/42/29/96/646422996.db2.gz OALLSXRNDFWYDU-SSDOTTSWSA-N 2 1 207.268 0.311 20 0 BCADMP C[NH+](C)C1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925704936 646429120 /nfs/dbraw/zinc/42/91/20/646429120.db2.gz ITRKNAXLQNUXTJ-CPCZMJQVSA-N 2 1 241.379 0.437 20 0 BCADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925714546 646439616 /nfs/dbraw/zinc/43/96/16/646439616.db2.gz ZHXJCCBOIZNEKD-CYBMUJFWSA-N 2 1 243.395 0.542 20 0 BCADMP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925718087 646442998 /nfs/dbraw/zinc/44/29/98/646442998.db2.gz GIJFQRDGHMGUKI-GMTAPVOTSA-N 2 1 237.347 0.515 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719453 646444628 /nfs/dbraw/zinc/44/46/28/646444628.db2.gz RXWQCCABKFGXKL-WTHWOGDNSA-N 2 1 239.363 0.079 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719450 646444952 /nfs/dbraw/zinc/44/49/52/646444952.db2.gz RXWQCCABKFGXKL-ASHHDVGLSA-N 2 1 239.363 0.079 20 0 BCADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000925725586 646447513 /nfs/dbraw/zinc/44/75/13/646447513.db2.gz AUGGSVRQKIQHNQ-XWLWVQCSSA-N 2 1 209.337 0.583 20 0 BCADMP CC(C)[C@H]1CN([C@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925725849 646451061 /nfs/dbraw/zinc/45/10/61/646451061.db2.gz BZAPIYCAZWIZDH-QWHCGFSZSA-N 2 1 241.379 0.247 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726967 646452414 /nfs/dbraw/zinc/45/24/14/646452414.db2.gz MERRBGXJKKGQAB-OUAUKWLOSA-N 2 1 209.337 0.598 20 0 BCADMP CC(C)([NH3+])CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925736954 646461080 /nfs/dbraw/zinc/46/10/80/646461080.db2.gz LSLFNMDJBFKZTB-NEPJUHHUSA-N 3 1 241.379 0.470 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767082 646469441 /nfs/dbraw/zinc/46/94/41/646469441.db2.gz MIDIEEFMMYDYOQ-RNJOBUHISA-N 2 1 242.363 0.647 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925769396 646471614 /nfs/dbraw/zinc/47/16/14/646471614.db2.gz CEAYKVSMLHQTFM-IJLUTSLNSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000925775882 646475135 /nfs/dbraw/zinc/47/51/35/646475135.db2.gz BSYNWMNAXWFFHA-MNOVXSKESA-N 2 1 240.351 0.132 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779787 646477712 /nfs/dbraw/zinc/47/77/12/646477712.db2.gz ZXMAEOGUDFJFNO-IVZWLZJFSA-N 3 1 235.322 0.947 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925782221 646479637 /nfs/dbraw/zinc/47/96/37/646479637.db2.gz ISHVVKJPPCSIPZ-WRWGMCAJSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925785349 646481461 /nfs/dbraw/zinc/48/14/61/646481461.db2.gz WJZDYNBEXPPJTH-YVECIDJPSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000925810586 646489623 /nfs/dbraw/zinc/48/96/23/646489623.db2.gz FMXOGJNNJREXMI-WOPDTQHZSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+]1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925809301 646489632 /nfs/dbraw/zinc/48/96/32/646489632.db2.gz PQALVYAHEYKYAP-UHFFFAOYSA-N 3 1 240.395 0.093 20 0 BCADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnnn1C ZINC000925814543 646492066 /nfs/dbraw/zinc/49/20/66/646492066.db2.gz NCAUMUCOEHGFGJ-ZJUUUORDSA-N 2 1 246.318 0.677 20 0 BCADMP CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814552 646492271 /nfs/dbraw/zinc/49/22/71/646492271.db2.gz NGAKJGJXKGLGDZ-GXSJLCMTSA-N 2 1 248.330 0.312 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000925821730 646495326 /nfs/dbraw/zinc/49/53/26/646495326.db2.gz IILJEHUTYMWRTI-UDNWOFFPSA-N 2 1 225.336 0.371 20 0 BCADMP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925828440 646497866 /nfs/dbraw/zinc/49/78/66/646497866.db2.gz XMNSSENXASVLKJ-GMTAPVOTSA-N 2 1 210.321 0.896 20 0 BCADMP OC1(C2(C[NH2+][C@@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC000925827497 646497871 /nfs/dbraw/zinc/49/78/71/646497871.db2.gz USDIJUMCELLMJR-LLVKDONJSA-N 2 1 240.347 0.260 20 0 BCADMP OC1(C2(C[NH2+][C@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC000925827498 646498652 /nfs/dbraw/zinc/49/86/52/646498652.db2.gz USDIJUMCELLMJR-NSHDSACASA-N 2 1 240.347 0.260 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CN(C)C ZINC000925836229 646504122 /nfs/dbraw/zinc/50/41/22/646504122.db2.gz JCJGWZHDTDMCHM-JHJVBQTASA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+](C)C ZINC000925838419 646505186 /nfs/dbraw/zinc/50/51/86/646505186.db2.gz MCIBWKFAWCYVRG-BPCQOVAHSA-N 3 1 243.395 0.813 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CNOC1)[NH2+]2 ZINC000925858861 646513497 /nfs/dbraw/zinc/51/34/97/646513497.db2.gz DHERHYKXLAGNMA-RCZSTQMZSA-N 2 1 211.309 0.008 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879358 646529479 /nfs/dbraw/zinc/52/94/79/646529479.db2.gz BWEZZPYOCJIIBO-WYUUTHIRSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000925880177 646529755 /nfs/dbraw/zinc/52/97/55/646529755.db2.gz PHVRMSACXZBQCJ-WHOHXGKFSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926173541 646588213 /nfs/dbraw/zinc/58/82/13/646588213.db2.gz LDUFMMSAFDQDMX-GXTWGEPZSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926173541 646588217 /nfs/dbraw/zinc/58/82/17/646588217.db2.gz LDUFMMSAFDQDMX-GXTWGEPZSA-N 2 1 249.358 0.669 20 0 BCADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)on1 ZINC000723701443 711534875 /nfs/dbraw/zinc/53/48/75/711534875.db2.gz CUUQQTHGLGCURX-SECBINFHSA-N 2 1 225.292 0.854 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000723679408 711534230 /nfs/dbraw/zinc/53/42/30/711534230.db2.gz CQQDKHNOKZYLKP-SNVBAGLBSA-N 2 1 223.324 0.469 20 0 BCADMP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922551 711545665 /nfs/dbraw/zinc/54/56/65/711545665.db2.gz OTLNDGGCBSMCIV-GMTAPVOTSA-N 2 1 228.336 0.855 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724555109 711589661 /nfs/dbraw/zinc/58/96/61/711589661.db2.gz BLYPHTMUTJKCGC-GARJFASQSA-N 2 1 214.309 0.071 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000724887072 711625619 /nfs/dbraw/zinc/62/56/19/711625619.db2.gz NPEFJSOVPXBIHV-YVECIDJPSA-N 2 1 242.363 0.863 20 0 BCADMP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000724887072 711625621 /nfs/dbraw/zinc/62/56/21/711625621.db2.gz NPEFJSOVPXBIHV-YVECIDJPSA-N 2 1 242.363 0.863 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000724927022 711629654 /nfs/dbraw/zinc/62/96/54/711629654.db2.gz VYYUQISGSMWWBR-BPCQOVAHSA-N 2 1 242.363 0.994 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720904024 711686789 /nfs/dbraw/zinc/68/67/89/711686789.db2.gz WBSXLBUSQIVWNG-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP COCC[NH2+]C1CC[NH+](C[C@H](C)O)CC1 ZINC000379922806 711814628 /nfs/dbraw/zinc/81/46/28/711814628.db2.gz JALIIOKCMGJIBF-JTQLQIEISA-N 2 1 216.325 0.068 20 0 BCADMP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158170275 711832074 /nfs/dbraw/zinc/83/20/74/711832074.db2.gz XBRAAYKMEQSXBP-AGIUHOORSA-N 2 1 244.379 0.845 20 0 BCADMP COC[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000721911787 711917294 /nfs/dbraw/zinc/91/72/94/711917294.db2.gz KKTWGOMPAIEYSZ-QWRGUYRKSA-N 2 1 218.341 0.156 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000702271736 712044213 /nfs/dbraw/zinc/04/42/13/712044213.db2.gz BQXPQDBNANOUDB-GARJFASQSA-N 2 1 230.377 0.585 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000702447710 712053823 /nfs/dbraw/zinc/05/38/23/712053823.db2.gz CFPDLAYOGKMVGC-WNYYMSAVSA-N 2 1 212.337 0.878 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000702603384 712056449 /nfs/dbraw/zinc/05/64/49/712056449.db2.gz MUVBHSKECUZGDI-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000702603384 712056451 /nfs/dbraw/zinc/05/64/51/712056451.db2.gz MUVBHSKECUZGDI-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP C[C@@H]1CO[C@H](CO)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000709508090 712223268 /nfs/dbraw/zinc/22/32/68/712223268.db2.gz IDQKTECSQIKMRS-YPMHNXCESA-N 2 1 242.363 0.410 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCOC1)C2 ZINC000709824755 712228609 /nfs/dbraw/zinc/22/86/09/712228609.db2.gz VGNCJOFKCXPWOP-KXNHARMFSA-N 2 1 210.321 0.835 20 0 BCADMP COC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC ZINC000709905415 712232349 /nfs/dbraw/zinc/23/23/49/712232349.db2.gz RILSUDHNXXLCOG-OLZOCXBDSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])CCN1CCOCC1 ZINC000710758072 712256589 /nfs/dbraw/zinc/25/65/89/712256589.db2.gz JGKFSRWCQWHEIL-UHFFFAOYSA-N 2 1 243.395 0.770 20 0 BCADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874986 712282372 /nfs/dbraw/zinc/28/23/72/712282372.db2.gz QFVUUGYHWIZUQM-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312681 712293694 /nfs/dbraw/zinc/29/36/94/712293694.db2.gz YKMMPIVVQLKEGS-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711311155 712293702 /nfs/dbraw/zinc/29/37/02/712293702.db2.gz QPNNGBYEGPZELP-QWRGUYRKSA-N 2 1 239.363 0.300 20 0 BCADMP C[C@@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000379512397 712386733 /nfs/dbraw/zinc/38/67/33/712386733.db2.gz TXXHOICYIALRSZ-JTQLQIEISA-N 2 1 200.326 0.641 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667792 712439597 /nfs/dbraw/zinc/43/95/97/712439597.db2.gz DBQVSXHNZXIMHB-SECBINFHSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000036932761 712521500 /nfs/dbraw/zinc/52/15/00/712521500.db2.gz UUUVVNVFBKGSEC-GFCCVEGCSA-N 2 1 241.379 0.391 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000389681765 712689950 /nfs/dbraw/zinc/68/99/50/712689950.db2.gz XWTWXLGQEWEXNQ-NWDGAFQWSA-N 2 1 239.363 0.714 20 0 BCADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000718835605 712785036 /nfs/dbraw/zinc/78/50/36/712785036.db2.gz SPGYOUFAJJPVLZ-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP CC[C@@H](C)NC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000038013515 712798204 /nfs/dbraw/zinc/79/82/04/712798204.db2.gz FKYMUFXZTPKLDR-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720900781 712874970 /nfs/dbraw/zinc/87/49/70/712874970.db2.gz QTKCCNNRRIXYSY-HBNTYKKESA-N 2 1 225.336 0.419 20 0 BCADMP O=C1OCC[C@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393742163 710672146 /nfs/dbraw/zinc/67/21/46/710672146.db2.gz CLBRZPNKHJJMET-MXWKQRLJSA-N 2 1 224.304 0.091 20 0 BCADMP C[C@H](O)CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380455275 712901187 /nfs/dbraw/zinc/90/11/87/712901187.db2.gz HQFQRYRXSTUXGT-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380455275 712901188 /nfs/dbraw/zinc/90/11/88/712901188.db2.gz HQFQRYRXSTUXGT-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723599122 710729108 /nfs/dbraw/zinc/72/91/08/710729108.db2.gz IIBNMKMIBSEGOU-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922248 710749479 /nfs/dbraw/zinc/74/94/79/710749479.db2.gz PUSJPHQRDRJORS-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922248 710749481 /nfs/dbraw/zinc/74/94/81/710749481.db2.gz PUSJPHQRDRJORS-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042746503 710797548 /nfs/dbraw/zinc/79/75/48/710797548.db2.gz AEAKIVPDFBJEHW-ZYHUDNBSSA-N 2 1 239.363 0.489 20 0 BCADMP CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042746503 710797551 /nfs/dbraw/zinc/79/75/51/710797551.db2.gz AEAKIVPDFBJEHW-ZYHUDNBSSA-N 2 1 239.363 0.489 20 0 BCADMP COCC(C)(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000393852399 710811524 /nfs/dbraw/zinc/81/15/24/710811524.db2.gz UVXLDRUYOVQSEO-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP COCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000393852399 710811534 /nfs/dbraw/zinc/81/15/34/710811534.db2.gz UVXLDRUYOVQSEO-LBPRGKRZSA-N 2 1 244.379 0.800 20 0 BCADMP COCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393929280 710828192 /nfs/dbraw/zinc/82/81/92/710828192.db2.gz GQPLDQPMGWYBQX-JZRPKSSGSA-N 2 1 240.347 0.235 20 0 BCADMP CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198650 710854716 /nfs/dbraw/zinc/85/47/16/710854716.db2.gz XHHXUWBSROKMDD-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198650 710854719 /nfs/dbraw/zinc/85/47/19/710854719.db2.gz XHHXUWBSROKMDD-YPMHNXCESA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000396712219 710907758 /nfs/dbraw/zinc/90/77/58/710907758.db2.gz RKZCMPARKWEFDQ-MMWGEVLESA-N 2 1 212.337 0.876 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092308 710968570 /nfs/dbraw/zinc/96/85/70/710968570.db2.gz SRKDFMAGSNMQQL-NXEZZACHSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382923935 710974636 /nfs/dbraw/zinc/97/46/36/710974636.db2.gz SUMWKYOZAARMJQ-AGIUHOORSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382923935 710974640 /nfs/dbraw/zinc/97/46/40/710974640.db2.gz SUMWKYOZAARMJQ-AGIUHOORSA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382924306 710974985 /nfs/dbraw/zinc/97/49/85/710974985.db2.gz SUMWKYOZAARMJQ-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382924306 710974986 /nfs/dbraw/zinc/97/49/86/710974986.db2.gz SUMWKYOZAARMJQ-UPJWGTAASA-N 2 1 242.363 0.146 20 0 BCADMP C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754672 710975083 /nfs/dbraw/zinc/97/50/83/710975083.db2.gz MDIZQZCQHHCUSN-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754672 710975086 /nfs/dbraw/zinc/97/50/86/710975086.db2.gz MDIZQZCQHHCUSN-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](C)OC ZINC000383115099 710977894 /nfs/dbraw/zinc/97/78/94/710977894.db2.gz SLSFAPISUYWPPR-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](C)OC ZINC000383115099 710977898 /nfs/dbraw/zinc/97/78/98/710977898.db2.gz SLSFAPISUYWPPR-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1CO ZINC000385878733 711018657 /nfs/dbraw/zinc/01/86/57/711018657.db2.gz WOTZSSIDOKIIQX-NSHDSACASA-N 2 1 200.326 0.962 20 0 BCADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000389438240 711078325 /nfs/dbraw/zinc/07/83/25/711078325.db2.gz FMUNVLQDMKPODL-GFCCVEGCSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@@H+]1CC=C(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392236601 711143671 /nfs/dbraw/zinc/14/36/71/711143671.db2.gz JUKJEDZQEOQXQZ-LXFSFDBISA-N 2 1 247.386 0.834 20 0 BCADMP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392236601 711143674 /nfs/dbraw/zinc/14/36/74/711143674.db2.gz JUKJEDZQEOQXQZ-LXFSFDBISA-N 3 1 247.386 0.834 20 0 BCADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392236601 711143679 /nfs/dbraw/zinc/14/36/79/711143679.db2.gz JUKJEDZQEOQXQZ-LXFSFDBISA-N 3 1 247.386 0.834 20 0 BCADMP COC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)OC ZINC000392978473 711154985 /nfs/dbraw/zinc/15/49/85/711154985.db2.gz YPHOOYODKMANFZ-LIBFEPKXSA-N 2 1 240.347 0.234 20 0 BCADMP CC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396562498 711355089 /nfs/dbraw/zinc/35/50/89/711355089.db2.gz ILUMXSWYJNOZEQ-MXWKQRLJSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000396591677 711356637 /nfs/dbraw/zinc/35/66/37/711356637.db2.gz CLWLVGDAGZTNQU-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396591177 711357957 /nfs/dbraw/zinc/35/79/57/711357957.db2.gz TXPHRIYSGLOJFF-XWLWVQCSSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000396591675 711358071 /nfs/dbraw/zinc/35/80/71/711358071.db2.gz CLWLVGDAGZTNQU-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP CCCNC(=O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396607638 711360111 /nfs/dbraw/zinc/36/01/11/711360111.db2.gz IZJPCZOCIHTJBU-MNOVXSKESA-N 2 1 227.352 0.633 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397303482 711380822 /nfs/dbraw/zinc/38/08/22/711380822.db2.gz LNPRTAJHDVKVOR-FVCCEPFGSA-N 2 1 244.379 0.689 20 0 BCADMP CNC(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000398310749 711408469 /nfs/dbraw/zinc/40/84/69/711408469.db2.gz LBHPFQZHILSKLH-NXEZZACHSA-N 2 1 213.325 0.243 20 0 BCADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H](O)C[NH3+] ZINC000399257273 711424652 /nfs/dbraw/zinc/42/46/52/711424652.db2.gz MRRDVTOCEAARAK-YUMQZZPRSA-N 2 1 241.162 0.822 20 0 BCADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](O)C[NH3+] ZINC000399257268 711424816 /nfs/dbraw/zinc/42/48/16/711424816.db2.gz MRRDVTOCEAARAK-JGVFFNPUSA-N 2 1 241.162 0.822 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724563538 710742521 /nfs/dbraw/zinc/74/25/21/710742521.db2.gz NGMDFFFKEZVFBO-CYDGBPFRSA-N 2 1 240.347 0.332 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396701130 711366498 /nfs/dbraw/zinc/36/64/98/711366498.db2.gz HFANFNNEHUYMHH-AEJSXWLSSA-N 2 1 213.325 0.241 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000396654792 711362108 /nfs/dbraw/zinc/36/21/08/711362108.db2.gz FOTFRMWRSAJGQU-JQWIXIFHSA-N 2 1 222.336 0.693 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000396676191 711363197 /nfs/dbraw/zinc/36/31/97/711363197.db2.gz SZWDLEDUMABWNJ-STQMWFEESA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000396721563 711365915 /nfs/dbraw/zinc/36/59/15/711365915.db2.gz WGGMVTACYALAFK-GHMZBOCLSA-N 2 1 212.337 0.879 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000396707769 711366677 /nfs/dbraw/zinc/36/66/77/711366677.db2.gz NWOCVKZXVDQBRR-LOWVWBTDSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCn1cccn1 ZINC000396730483 711368586 /nfs/dbraw/zinc/36/85/86/711368586.db2.gz YFYOZBRGOVINIT-GHMZBOCLSA-N 2 1 208.309 0.613 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3(O)CCC3)C[C@H]21 ZINC000396930100 711373219 /nfs/dbraw/zinc/37/32/19/711373219.db2.gz XJSPFVFDJUKGPL-GDNZZTSVSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3(O)CCC3)C[C@H]21 ZINC000396930100 711373221 /nfs/dbraw/zinc/37/32/21/711373221.db2.gz XJSPFVFDJUKGPL-GDNZZTSVSA-N 2 1 224.348 0.783 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397303484 711380718 /nfs/dbraw/zinc/38/07/18/711380718.db2.gz LNPRTAJHDVKVOR-MROQNXINSA-N 2 1 244.379 0.689 20 0 BCADMP CON(C)C(=O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000397541685 711386914 /nfs/dbraw/zinc/38/69/14/711386914.db2.gz WVMFTTASGBJQBV-FGWVZKOKSA-N 2 1 241.335 0.221 20 0 BCADMP C[NH+](C)C1(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000397892500 711394810 /nfs/dbraw/zinc/39/48/10/711394810.db2.gz QMQQKIYFCLXANT-UHFFFAOYSA-N 2 1 212.341 0.993 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074565005 711443775 /nfs/dbraw/zinc/44/37/75/711443775.db2.gz NPDVGKQWFOKYMX-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000050249382 711493530 /nfs/dbraw/zinc/49/35/30/711493530.db2.gz MOEBJJFEUFTZQH-MRVPVSSYSA-N 2 1 226.242 0.846 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000050249382 711493531 /nfs/dbraw/zinc/49/35/31/711493531.db2.gz MOEBJJFEUFTZQH-MRVPVSSYSA-N 2 1 226.242 0.846 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249247 711493775 /nfs/dbraw/zinc/49/37/75/711493775.db2.gz SWXGQMIZGFGFKN-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249247 711493776 /nfs/dbraw/zinc/49/37/76/711493776.db2.gz SWXGQMIZGFGFKN-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000724156759 711507760 /nfs/dbraw/zinc/50/77/60/711507760.db2.gz RBZSNABLCCXJOM-WRWGMCAJSA-N 2 1 212.337 0.951 20 0 BCADMP COC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723684396 711534123 /nfs/dbraw/zinc/53/41/23/711534123.db2.gz XFGHEZOXBXINFQ-BDAKNGLRSA-N 2 1 200.282 0.219 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723690945 711534130 /nfs/dbraw/zinc/53/41/30/711534130.db2.gz CRQLUDUVBGYEEX-VIFPVBQESA-N 2 1 210.281 0.549 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723684397 711534257 /nfs/dbraw/zinc/53/42/57/711534257.db2.gz XFGHEZOXBXINFQ-DTWKUNHWSA-N 2 1 200.282 0.219 20 0 BCADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)on1 ZINC000723701444 711534903 /nfs/dbraw/zinc/53/49/03/711534903.db2.gz CUUQQTHGLGCURX-VIFPVBQESA-N 2 1 225.292 0.854 20 0 BCADMP [NH3+]CC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000723712510 711535799 /nfs/dbraw/zinc/53/57/99/711535799.db2.gz IBKFXSJDEMCVFD-VIFPVBQESA-N 2 1 236.323 0.179 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000723712510 711535800 /nfs/dbraw/zinc/53/58/00/711535800.db2.gz IBKFXSJDEMCVFD-VIFPVBQESA-N 2 1 236.323 0.179 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887571 711543116 /nfs/dbraw/zinc/54/31/16/711543116.db2.gz VIGCELKHKXCNNV-GMTAPVOTSA-N 2 1 227.352 0.380 20 0 BCADMP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892180 711543926 /nfs/dbraw/zinc/54/39/26/711543926.db2.gz PSWXGNKMFDSINE-IJLUTSLNSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892066 711544183 /nfs/dbraw/zinc/54/41/83/711544183.db2.gz UIIZGBIVGBFKJS-OUAUKWLOSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901173 711544424 /nfs/dbraw/zinc/54/44/24/711544424.db2.gz OJEHCFBUEJTNGP-BBBLOLIVSA-N 2 1 212.293 0.219 20 0 BCADMP COC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901467 711544755 /nfs/dbraw/zinc/54/47/55/711544755.db2.gz PKYSTGFPSMEWFN-KXUCPTDWSA-N 2 1 214.309 0.465 20 0 BCADMP CCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907913 711544844 /nfs/dbraw/zinc/54/48/44/711544844.db2.gz FFEZTTVZFKLLKW-IJLUTSLNSA-N 2 1 230.352 0.301 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CC[NH3+] ZINC000723902786 711545129 /nfs/dbraw/zinc/54/51/29/711545129.db2.gz ZOSBIJXOEHXKJH-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560873 711590850 /nfs/dbraw/zinc/59/08/50/711590850.db2.gz XMQJQPDCHARBPF-FHUSYTEZSA-N 2 1 240.347 0.317 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC[NH2+]CC1 ZINC000724565592 711593062 /nfs/dbraw/zinc/59/30/62/711593062.db2.gz XWTNMCOKAPULRD-WCFLWFBJSA-N 2 1 240.347 0.474 20 0 BCADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724781178 711613987 /nfs/dbraw/zinc/61/39/87/711613987.db2.gz DELTYNVTZRHRFD-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724781178 711613989 /nfs/dbraw/zinc/61/39/89/711613989.db2.gz DELTYNVTZRHRFD-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724781178 711613991 /nfs/dbraw/zinc/61/39/91/711613991.db2.gz DELTYNVTZRHRFD-SNVBAGLBSA-N 2 1 208.309 0.889 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000724813186 711616630 /nfs/dbraw/zinc/61/66/30/711616630.db2.gz GKZLTXBKQCSRGA-WYUUTHIRSA-N 2 1 210.321 0.835 20 0 BCADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724920572 711628524 /nfs/dbraw/zinc/62/85/24/711628524.db2.gz HEPDRBXSTLWMLN-AGIUHOORSA-N 2 1 242.363 0.709 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000724960432 711634385 /nfs/dbraw/zinc/63/43/85/711634385.db2.gz NSNVNGNAASWKOY-CYDGBPFRSA-N 2 1 240.347 0.604 20 0 BCADMP COCCOC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893302965 711704394 /nfs/dbraw/zinc/70/43/94/711704394.db2.gz JDXLWYIMFSZZAX-GFCCVEGCSA-N 2 1 242.363 0.889 20 0 BCADMP OCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321529 711704419 /nfs/dbraw/zinc/70/44/19/711704419.db2.gz UYCVYZUIKLBKCR-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP OCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321529 711704422 /nfs/dbraw/zinc/70/44/22/711704422.db2.gz UYCVYZUIKLBKCR-OLZOCXBDSA-N 2 1 242.363 0.290 20 0 BCADMP O[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925626691 711705562 /nfs/dbraw/zinc/70/55/62/711705562.db2.gz SMBHENFFQSLOSS-WDEREUQCSA-N 2 1 226.320 0.012 20 0 BCADMP CC(C)CNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000397902725 711707737 /nfs/dbraw/zinc/70/77/37/711707737.db2.gz VRRWQFQUKSUXAP-UHFFFAOYSA-N 2 1 212.341 0.851 20 0 BCADMP C[C@@H]1CN(C)C(=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000257785437 711728438 /nfs/dbraw/zinc/72/84/38/711728438.db2.gz LOKSTTPWNGKTIU-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879377 711761985 /nfs/dbraw/zinc/76/19/85/711761985.db2.gz CQAVRTJMNJBDLN-OUAUKWLOSA-N 2 1 211.353 0.844 20 0 BCADMP COC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573963 711770214 /nfs/dbraw/zinc/77/02/14/711770214.db2.gz VACBYKNEZMBHQX-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573963 711770216 /nfs/dbraw/zinc/77/02/16/711770216.db2.gz VACBYKNEZMBHQX-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573963 711770217 /nfs/dbraw/zinc/77/02/17/711770217.db2.gz VACBYKNEZMBHQX-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP COC(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573963 711770219 /nfs/dbraw/zinc/77/02/19/711770219.db2.gz VACBYKNEZMBHQX-NEPJUHHUSA-N 2 1 240.347 0.966 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000248502866 711779041 /nfs/dbraw/zinc/77/90/41/711779041.db2.gz ULVBXDLNHNLSRV-GARJFASQSA-N 2 1 239.363 0.570 20 0 BCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928565795 711779225 /nfs/dbraw/zinc/77/92/25/711779225.db2.gz MPBRLNSVSGTXPM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928565795 711779226 /nfs/dbraw/zinc/77/92/26/711779226.db2.gz MPBRLNSVSGTXPM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928565795 711779227 /nfs/dbraw/zinc/77/92/27/711779227.db2.gz MPBRLNSVSGTXPM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928565795 711779228 /nfs/dbraw/zinc/77/92/28/711779228.db2.gz MPBRLNSVSGTXPM-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700406895 711992004 /nfs/dbraw/zinc/99/20/04/711992004.db2.gz YVMYMKLGQDFFPE-AAEUAGOBSA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700406897 711992025 /nfs/dbraw/zinc/99/20/25/711992025.db2.gz YVMYMKLGQDFFPE-DGCLKSJQSA-N 2 1 239.363 0.573 20 0 BCADMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700403923 711992375 /nfs/dbraw/zinc/99/23/75/711992375.db2.gz QJBPHKPCFFMCKJ-OLZOCXBDSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125539 712039510 /nfs/dbraw/zinc/03/95/10/712039510.db2.gz KGEACPWZGIEAOG-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047559 /nfs/dbraw/zinc/04/75/59/712047559.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 2 1 237.391 0.870 20 0 BCADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049633 /nfs/dbraw/zinc/04/96/33/712049633.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 2 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049635 /nfs/dbraw/zinc/04/96/35/712049635.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 3 1 237.391 0.870 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049636 /nfs/dbraw/zinc/04/96/36/712049636.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 3 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049637 /nfs/dbraw/zinc/04/96/37/712049637.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 2 1 237.391 0.870 20 0 BCADMP CN1C[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049638 /nfs/dbraw/zinc/04/96/38/712049638.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 2 1 237.391 0.870 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703588693 712079637 /nfs/dbraw/zinc/07/96/37/712079637.db2.gz WSKGXKWLRBOQEV-VQXHTEKXSA-N 2 1 225.336 0.324 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2CC(OC)C2)C[C@H]1C[NH3+] ZINC000703854407 712090472 /nfs/dbraw/zinc/09/04/72/712090472.db2.gz BKJHGXSFGHAVNR-POOIEITISA-N 2 1 242.363 0.707 20 0 BCADMP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034884350 712099151 /nfs/dbraw/zinc/09/91/51/712099151.db2.gz GELJEKLHAHWJQL-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660752 712135027 /nfs/dbraw/zinc/13/50/27/712135027.db2.gz VLFGZEFEIHVTFU-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660752 712135028 /nfs/dbraw/zinc/13/50/28/712135028.db2.gz VLFGZEFEIHVTFU-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705660752 712135030 /nfs/dbraw/zinc/13/50/30/712135030.db2.gz VLFGZEFEIHVTFU-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705660752 712135031 /nfs/dbraw/zinc/13/50/31/712135031.db2.gz VLFGZEFEIHVTFU-UTUOFQBUSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705660751 712135346 /nfs/dbraw/zinc/13/53/46/712135346.db2.gz VLFGZEFEIHVTFU-SRVKXCTJSA-N 2 1 212.337 0.641 20 0 BCADMP C[N@@H+](CCn1cccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000707372774 712170180 /nfs/dbraw/zinc/17/01/80/712170180.db2.gz YQOOPLAOHLFCNI-PHIMTYICSA-N 2 1 208.309 0.552 20 0 BCADMP CC1([NH3+])CC[NH+](CCN2CCOC2=O)CC1 ZINC000707756534 712177644 /nfs/dbraw/zinc/17/76/44/712177644.db2.gz OAFCIPLVMLWFCC-UHFFFAOYSA-N 2 1 227.308 0.252 20 0 BCADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060990 712179665 /nfs/dbraw/zinc/17/96/65/712179665.db2.gz AYZJHZQQONHPHK-WISYIIOYSA-N 2 1 241.379 0.816 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709039208 712205711 /nfs/dbraw/zinc/20/57/11/712205711.db2.gz ZQHDGWCUTPNDES-RYUDHWBXSA-N 2 1 230.352 0.587 20 0 BCADMP CCOC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709039208 712205710 /nfs/dbraw/zinc/20/57/10/712205710.db2.gz ZQHDGWCUTPNDES-RYUDHWBXSA-N 2 1 230.352 0.587 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709779620 712217215 /nfs/dbraw/zinc/21/72/15/712217215.db2.gz VRZLXKMAEPKVPH-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[C@H](O)C[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000709421851 712221397 /nfs/dbraw/zinc/22/13/97/712221397.db2.gz JRUGGCKDESBCDT-JTQLQIEISA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874986 712282371 /nfs/dbraw/zinc/28/23/71/712282371.db2.gz QFVUUGYHWIZUQM-NWDGAFQWSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](C(N)=O)[N@@H+](C)CCCCCC[NH3+] ZINC000711167880 712287358 /nfs/dbraw/zinc/28/73/58/712287358.db2.gz DHYLRAOVWOVHMO-SECBINFHSA-N 2 1 201.314 0.311 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311178 /nfs/dbraw/zinc/31/11/78/712311178.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 2 1 244.404 0.594 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311179 /nfs/dbraw/zinc/31/11/79/712311179.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 2 1 244.404 0.594 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311182 /nfs/dbraw/zinc/31/11/82/712311182.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 2 1 244.404 0.594 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478844 712334198 /nfs/dbraw/zinc/33/41/98/712334198.db2.gz HYJCWSVWIWJQGP-RYUDHWBXSA-N 2 1 230.352 0.445 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478736 712334207 /nfs/dbraw/zinc/33/42/07/712334207.db2.gz HTQIYHSBEJSQPI-UTUOFQBUSA-N 3 1 211.353 0.513 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923479155 712334368 /nfs/dbraw/zinc/33/43/68/712334368.db2.gz MSPCNOGZSNUXER-NSHDSACASA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000923479431 712334582 /nfs/dbraw/zinc/33/45/82/712334582.db2.gz OVQOEJILRCUWCI-GHMZBOCLSA-N 2 1 235.335 0.436 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668373 712439930 /nfs/dbraw/zinc/43/99/30/712439930.db2.gz JJPUNQDMCDRJBB-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670589 712440701 /nfs/dbraw/zinc/44/07/01/712440701.db2.gz LFFDWWDLFJMKQK-JTQLQIEISA-N 2 1 227.352 0.524 20 0 BCADMP C=C/C=C\CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000713737841 712470779 /nfs/dbraw/zinc/47/07/79/712470779.db2.gz AJRNLDKNEMFLNW-PLNGDYQASA-N 2 1 223.364 0.956 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714374742 712484670 /nfs/dbraw/zinc/48/46/70/712484670.db2.gz OIQNARRYFZNZJN-MNOVXSKESA-N 2 1 230.352 0.586 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714374742 712484672 /nfs/dbraw/zinc/48/46/72/712484672.db2.gz OIQNARRYFZNZJN-MNOVXSKESA-N 2 1 230.352 0.586 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000714537977 712494135 /nfs/dbraw/zinc/49/41/35/712494135.db2.gz WUDJOMJKBGNLHG-WDEREUQCSA-N 2 1 241.335 0.355 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715010022 712504055 /nfs/dbraw/zinc/50/40/55/712504055.db2.gz JWJJLOUAQSJYCH-QJPTWQEYSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715124239 712510763 /nfs/dbraw/zinc/51/07/63/712510763.db2.gz KXLASKSFOPGQEW-CIUDSAMLSA-N 2 1 247.289 0.037 20 0 BCADMP FC1(F)[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000715451312 712519346 /nfs/dbraw/zinc/51/93/46/712519346.db2.gz XMIGVJSNKNSYHZ-XHNCKOQMSA-N 2 1 202.248 0.793 20 0 BCADMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000715451312 712519347 /nfs/dbraw/zinc/51/93/47/712519347.db2.gz XMIGVJSNKNSYHZ-XHNCKOQMSA-N 2 1 202.248 0.793 20 0 BCADMP [NH3+]CCOCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715462454 712519759 /nfs/dbraw/zinc/51/97/59/712519759.db2.gz UXNIQPIVGJELJP-OCAPTIKFSA-N 2 1 206.236 0.159 20 0 BCADMP CC(C)CC(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038009 712530623 /nfs/dbraw/zinc/53/06/23/712530623.db2.gz MVRNVAONNXGYMJ-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP CC(C)CC(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038009 712530625 /nfs/dbraw/zinc/53/06/25/712530625.db2.gz MVRNVAONNXGYMJ-UHFFFAOYSA-N 2 1 241.379 0.916 20 0 BCADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1OCCCO1 ZINC000716331226 712554889 /nfs/dbraw/zinc/55/48/89/712554889.db2.gz NRFOGGVQKOHCHV-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1OCCCO1 ZINC000716331226 712554890 /nfs/dbraw/zinc/55/48/90/712554890.db2.gz NRFOGGVQKOHCHV-VXGBXAGGSA-N 2 1 240.347 0.966 20 0 BCADMP C[NH2+]CCC[N@@H+](CCOC)C1CCOCC1 ZINC000716417150 712559726 /nfs/dbraw/zinc/55/97/26/712559726.db2.gz YPESOSFMDVBPAR-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP CC[N@H+]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925489836 712615609 /nfs/dbraw/zinc/61/56/09/712615609.db2.gz AOPCVFHLKMMUDV-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(O)CCCC3)C[C@H]21 ZINC000384845951 712703014 /nfs/dbraw/zinc/70/30/14/712703014.db2.gz BHIABCICZABENR-GDNZZTSVSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(O)CCCC3)C[C@H]21 ZINC000384845951 712703016 /nfs/dbraw/zinc/70/30/16/712703016.db2.gz BHIABCICZABENR-GDNZZTSVSA-N 2 1 224.348 0.783 20 0 BCADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718319137 712754977 /nfs/dbraw/zinc/75/49/77/712754977.db2.gz NKISZPANAJZUSO-XQQFMLRXSA-N 2 1 240.347 0.021 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718546226 712768624 /nfs/dbraw/zinc/76/86/24/712768624.db2.gz COHHKIZKFMNBEJ-SFXRXQKFSA-N 2 1 225.336 0.371 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCC)C1 ZINC000719149143 712798856 /nfs/dbraw/zinc/79/88/56/712798856.db2.gz PILFPDXGDKNWIS-SNVBAGLBSA-N 2 1 212.341 0.852 20 0 BCADMP NC(=O)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719248303 712801121 /nfs/dbraw/zinc/80/11/21/712801121.db2.gz PLVBCGGVTBQMSI-RDFFEMEHSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000719776869 712823677 /nfs/dbraw/zinc/82/36/77/712823677.db2.gz DZQKHRSPJQBYAT-LBPRGKRZSA-N 2 1 227.352 0.002 20 0 BCADMP COC[C@H](C)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720743315 712863255 /nfs/dbraw/zinc/86/32/55/712863255.db2.gz WMELVIOMOZDENZ-ZJUUUORDSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720743315 712863257 /nfs/dbraw/zinc/86/32/57/712863257.db2.gz WMELVIOMOZDENZ-ZJUUUORDSA-N 2 1 200.326 0.938 20 0 BCADMP CC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720802390 712866485 /nfs/dbraw/zinc/86/64/85/712866485.db2.gz BONZIZPJTZBPRC-VGMNWLOBSA-N 2 1 240.269 0.826 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCO)C[C@H]1C(F)(F)F ZINC000720868398 712871713 /nfs/dbraw/zinc/87/17/13/712871713.db2.gz BBWAXBLSONSPSI-NKWVEPMBSA-N 2 1 212.215 0.048 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCO)C[C@H]1C(F)(F)F ZINC000720868398 712871716 /nfs/dbraw/zinc/87/17/16/712871716.db2.gz BBWAXBLSONSPSI-NKWVEPMBSA-N 2 1 212.215 0.048 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCO)C[C@H]1C(F)(F)F ZINC000720868402 712872193 /nfs/dbraw/zinc/87/21/93/712872193.db2.gz BBWAXBLSONSPSI-RNFRBKRXSA-N 2 1 212.215 0.048 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCO)C[C@H]1C(F)(F)F ZINC000720868402 712872194 /nfs/dbraw/zinc/87/21/94/712872194.db2.gz BBWAXBLSONSPSI-RNFRBKRXSA-N 2 1 212.215 0.048 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720888196 712874169 /nfs/dbraw/zinc/87/41/69/712874169.db2.gz MHRJRNGKPGXDPE-MXWKQRLJSA-N 2 1 225.336 0.276 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000720890296 712874364 /nfs/dbraw/zinc/87/43/64/712874364.db2.gz LJAIVJCLPOCLAT-YNEHKIRRSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000720890296 712874366 /nfs/dbraw/zinc/87/43/66/712874366.db2.gz LJAIVJCLPOCLAT-YNEHKIRRSA-N 2 1 223.364 0.764 20 0 BCADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000720890296 712874369 /nfs/dbraw/zinc/87/43/69/712874369.db2.gz LJAIVJCLPOCLAT-YNEHKIRRSA-N 2 1 223.364 0.764 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720887326 712874380 /nfs/dbraw/zinc/87/43/80/712874380.db2.gz IGLRSSRZABZGIK-QJPTWQEYSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH3+] ZINC000720886015 712874557 /nfs/dbraw/zinc/87/45/57/712874557.db2.gz GSBVTDUHXIRHII-NXEZZACHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720898768 712875041 /nfs/dbraw/zinc/87/50/41/712875041.db2.gz LDQCHINXUBFPQF-NNYUYHANSA-N 2 1 239.363 0.665 20 0 BCADMP C[NH2+]CCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720898703 712875108 /nfs/dbraw/zinc/87/51/08/712875108.db2.gz KWSFPEUWYGCSKX-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901573 712875775 /nfs/dbraw/zinc/87/57/75/712875775.db2.gz SKBYMJGOXKRRLJ-FRRDWIJNSA-N 2 1 249.358 0.729 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901585 712875815 /nfs/dbraw/zinc/87/58/15/712875815.db2.gz SKBYMJGOXKRRLJ-YNEHKIRRSA-N 2 1 249.358 0.729 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901476 712875968 /nfs/dbraw/zinc/87/59/68/712875968.db2.gz SALRTASNGGPNAT-WRWGMCAJSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720895501 712876629 /nfs/dbraw/zinc/87/66/29/712876629.db2.gz XWGJZHOOZNRBSB-LPEHRKFASA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720895498 712876795 /nfs/dbraw/zinc/87/67/95/712876795.db2.gz XWGJZHOOZNRBSB-IVZWLZJFSA-N 2 1 211.309 0.029 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000720904152 712877187 /nfs/dbraw/zinc/87/71/87/712877187.db2.gz YZZQTVNSDLHGOC-FRRDWIJNSA-N 2 1 239.363 0.143 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907455 712877262 /nfs/dbraw/zinc/87/72/62/712877262.db2.gz OYVWUNCLFJCTCI-MNOVXSKESA-N 2 1 237.347 0.563 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1C ZINC000720956291 712882935 /nfs/dbraw/zinc/88/29/35/712882935.db2.gz IMDQSPQNGIAMSO-WISYIIOYSA-N 2 1 212.337 0.830 20 0 BCADMP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721063191 712889729 /nfs/dbraw/zinc/88/97/29/712889729.db2.gz ISMPUYKZSFEJHR-USWWRNFRSA-N 2 1 225.336 0.052 20 0 BCADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000721156033 712892706 /nfs/dbraw/zinc/89/27/06/712892706.db2.gz ZFDQQNSVNZZZLE-FRRDWIJNSA-N 2 1 244.379 0.846 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721177687 712896248 /nfs/dbraw/zinc/89/62/48/712896248.db2.gz QREUPINESHDQQR-VXGBXAGGSA-N 2 1 224.348 0.974 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC12CCC2)C1CC1 ZINC000721177687 712896249 /nfs/dbraw/zinc/89/62/49/712896249.db2.gz QREUPINESHDQQR-VXGBXAGGSA-N 2 1 224.348 0.974 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378698850 346811024 /nfs/dbraw/zinc/81/10/24/346811024.db2.gz MHKITWFNJGCXMZ-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378698850 346811025 /nfs/dbraw/zinc/81/10/25/346811025.db2.gz MHKITWFNJGCXMZ-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378698850 346811027 /nfs/dbraw/zinc/81/10/27/346811027.db2.gz MHKITWFNJGCXMZ-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000044763042 168323520 /nfs/dbraw/zinc/32/35/20/168323520.db2.gz TXMBWIRDXBGUCY-LLVKDONJSA-N 2 1 241.379 0.819 20 0 BCADMP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000649322680 398144620 /nfs/dbraw/zinc/14/46/20/398144620.db2.gz FXMNVEVMQZDPCZ-JHEVNIALSA-N 2 1 249.358 0.432 20 0 BCADMP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000649322651 398144649 /nfs/dbraw/zinc/14/46/49/398144649.db2.gz CGTOQKLCNGMNFM-NDBYEHHHSA-N 2 1 249.358 0.147 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000063166304 349500302 /nfs/dbraw/zinc/50/03/02/349500302.db2.gz RLZMCJSZPNRJIS-SECBINFHSA-N 2 1 214.309 0.479 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000649342024 398159086 /nfs/dbraw/zinc/15/90/86/398159086.db2.gz HUNPEORFRSLLND-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422906126 398157092 /nfs/dbraw/zinc/15/70/92/398157092.db2.gz JEQANALMMTVLKI-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422906126 398157093 /nfs/dbraw/zinc/15/70/93/398157093.db2.gz JEQANALMMTVLKI-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422906127 398157356 /nfs/dbraw/zinc/15/73/56/398157356.db2.gz JEQANALMMTVLKI-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422906127 398157357 /nfs/dbraw/zinc/15/73/57/398157357.db2.gz JEQANALMMTVLKI-QWHCGFSZSA-N 2 1 243.395 0.542 20 0 BCADMP CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000379831871 398170272 /nfs/dbraw/zinc/17/02/72/398170272.db2.gz BLFYNMKIWLOXCG-CYZMBNFOSA-N 2 1 242.363 0.599 20 0 BCADMP CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000379831871 398170273 /nfs/dbraw/zinc/17/02/73/398170273.db2.gz BLFYNMKIWLOXCG-CYZMBNFOSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379860332 398172863 /nfs/dbraw/zinc/17/28/63/398172863.db2.gz LRUMUKWRRZSZFR-LLVKDONJSA-N 2 1 208.309 0.623 20 0 BCADMP Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000623086866 398174514 /nfs/dbraw/zinc/17/45/14/398174514.db2.gz OFAQUULWETVNAQ-UHFFFAOYSA-N 2 1 231.303 0.851 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122363794 398177775 /nfs/dbraw/zinc/17/77/75/398177775.db2.gz GNFUOPHEYSOGOD-KXUCPTDWSA-N 2 1 225.336 0.323 20 0 BCADMP Cn1ncc(CNCC2=CC[N@@H+](C)CC2)n1 ZINC000293229678 398180243 /nfs/dbraw/zinc/18/02/43/398180243.db2.gz KPUKXDKGYJWTMO-UHFFFAOYSA-N 2 1 221.308 0.167 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348366 398161665 /nfs/dbraw/zinc/16/16/65/398161665.db2.gz JHTUYAPGDSKJPT-MVWJERBFSA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@H+]1C1CC1 ZINC000649348484 398162386 /nfs/dbraw/zinc/16/23/86/398162386.db2.gz MBUJQNJZNPJONZ-XZPDDHLCSA-N 2 1 249.358 0.193 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423020356 398162655 /nfs/dbraw/zinc/16/26/55/398162655.db2.gz BBPWGTOLLKOWKM-SRVKXCTJSA-N 2 1 230.352 0.504 20 0 BCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783985 349514239 /nfs/dbraw/zinc/51/42/39/349514239.db2.gz TYMDMHIQMPNLHA-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423233146 398165192 /nfs/dbraw/zinc/16/51/92/398165192.db2.gz JFTHLJNJHFHPSW-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP Cc1cc(N2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000037756700 178114767 /nfs/dbraw/zinc/11/47/67/178114767.db2.gz PTLKNUDOYPRJOH-UHFFFAOYSA-N 2 1 206.293 0.893 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446391553 398204479 /nfs/dbraw/zinc/20/44/79/398204479.db2.gz AGLLMHYGVAPDAD-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP c1ncn(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)n1 ZINC000649409009 398208661 /nfs/dbraw/zinc/20/86/61/398208661.db2.gz WJULQCPMOMALNF-UHFFFAOYSA-N 2 1 235.335 0.495 20 0 BCADMP Cn1nccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723859 398213555 /nfs/dbraw/zinc/21/35/55/398213555.db2.gz DXXCKCUVRAENMP-LLVKDONJSA-N 2 1 222.336 0.981 20 0 BCADMP Cc1noc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000069724292 398213605 /nfs/dbraw/zinc/21/36/05/398213605.db2.gz QPAIAQNSLFVUEI-JTQLQIEISA-N 2 1 224.308 0.939 20 0 BCADMP Cc1noc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000069724292 398213606 /nfs/dbraw/zinc/21/36/06/398213606.db2.gz QPAIAQNSLFVUEI-JTQLQIEISA-N 2 1 224.308 0.939 20 0 BCADMP CC[N@@H+](Cc1cnn(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000649411828 398213825 /nfs/dbraw/zinc/21/38/25/398213825.db2.gz HZYVOJKQQMHINW-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP CC[N@H+](Cc1cnn(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000649411828 398213828 /nfs/dbraw/zinc/21/38/28/398213828.db2.gz HZYVOJKQQMHINW-LLVKDONJSA-N 2 1 222.336 0.852 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000380993666 398216090 /nfs/dbraw/zinc/21/60/90/398216090.db2.gz LTRQMUNVEGMONL-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000380993666 398216094 /nfs/dbraw/zinc/21/60/94/398216094.db2.gz LTRQMUNVEGMONL-JQWIXIFHSA-N 2 1 228.336 0.068 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000381020962 398219337 /nfs/dbraw/zinc/21/93/37/398219337.db2.gz WGJXMSHOSUCHFF-PWSUYJOCSA-N 2 1 244.404 0.784 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000381020962 398219341 /nfs/dbraw/zinc/21/93/41/398219341.db2.gz WGJXMSHOSUCHFF-PWSUYJOCSA-N 2 1 244.404 0.784 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217129 398211229 /nfs/dbraw/zinc/21/12/29/398211229.db2.gz QLEYKSALFQTZSH-NSHDSACASA-N 2 1 242.367 0.509 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213110 /nfs/dbraw/zinc/21/31/10/398213110.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 2 1 225.380 0.870 20 0 BCADMP Cc1cc(C)n(CC[N@H+](C)C2CC([NH3+])C2)n1 ZINC000386809519 398220369 /nfs/dbraw/zinc/22/03/69/398220369.db2.gz DHUKNTUBVTVWRC-UHFFFAOYSA-N 2 1 222.336 0.921 20 0 BCADMP COCCC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000189876224 398226756 /nfs/dbraw/zinc/22/67/56/398226756.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP COCCC[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000189876224 398226759 /nfs/dbraw/zinc/22/67/59/398226759.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP COCCC[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000189876224 398226763 /nfs/dbraw/zinc/22/67/63/398226763.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 2 1 244.379 0.802 20 0 BCADMP COC[C@](C)([NH3+])CNc1cc(C)[nH+]c(C)n1 ZINC000275504798 538931462 /nfs/dbraw/zinc/93/14/62/538931462.db2.gz MQEXNMPQMKOZTR-LLVKDONJSA-N 2 1 224.308 0.869 20 0 BCADMP CC(C)N1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430560825 398228135 /nfs/dbraw/zinc/22/81/35/398228135.db2.gz XNQGQUQGFXJZOB-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430560825 398228137 /nfs/dbraw/zinc/22/81/37/398228137.db2.gz XNQGQUQGFXJZOB-NSHDSACASA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCN1CCCC1=O ZINC000430576307 398228866 /nfs/dbraw/zinc/22/88/66/398228866.db2.gz BECCYOZGEFQVRC-LBPRGKRZSA-N 2 1 227.352 0.572 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167516236 488174311 /nfs/dbraw/zinc/17/43/11/488174311.db2.gz XPYQBTPMGIMFMN-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)C1)C1CCC1 ZINC000629951713 361799769 /nfs/dbraw/zinc/79/97/69/361799769.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000629951713 361799773 /nfs/dbraw/zinc/79/97/73/361799773.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000629951713 361799778 /nfs/dbraw/zinc/79/97/78/361799778.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629945806 361786993 /nfs/dbraw/zinc/78/69/93/361786993.db2.gz NKDRXCJSHLFVGT-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000379964729 398243443 /nfs/dbraw/zinc/24/34/43/398243443.db2.gz HAZIPLHUQLWAIA-MWLCHTKSSA-N 2 1 208.309 0.621 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC(F)(F)C[NH3+] ZINC000576714117 365656405 /nfs/dbraw/zinc/65/64/05/365656405.db2.gz NPTCUONYCMDLGC-JGVFFNPUSA-N 2 1 235.278 0.309 20 0 BCADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000576756043 365678352 /nfs/dbraw/zinc/67/83/52/365678352.db2.gz AUHHCKCWYSGCET-JQWIXIFHSA-N 3 1 211.353 0.703 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667606 /nfs/dbraw/zinc/66/76/06/365667606.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 1 244.379 0.797 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000381852380 398255352 /nfs/dbraw/zinc/25/53/52/398255352.db2.gz TWISESGBUKGGFS-RYUDHWBXSA-N 3 1 211.353 0.527 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000381852380 398255355 /nfs/dbraw/zinc/25/53/55/398255355.db2.gz TWISESGBUKGGFS-RYUDHWBXSA-N 3 1 211.353 0.527 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000381540739 398262368 /nfs/dbraw/zinc/26/23/68/398262368.db2.gz IMBFUBXWYWVDLG-VXGBXAGGSA-N 3 1 213.369 0.901 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000381540739 398262371 /nfs/dbraw/zinc/26/23/71/398262371.db2.gz IMBFUBXWYWVDLG-VXGBXAGGSA-N 3 1 213.369 0.901 20 0 BCADMP CN(C)C(=O)C(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000128478964 323007242 /nfs/dbraw/zinc/00/72/42/323007242.db2.gz YDRSMCYTSBJVNH-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP CN(C)C(=O)C(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000128478964 323007243 /nfs/dbraw/zinc/00/72/43/323007243.db2.gz YDRSMCYTSBJVNH-LLVKDONJSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000230191405 259312495 /nfs/dbraw/zinc/31/24/95/259312495.db2.gz IIQVLAGHDAFYGW-DCAQKATOSA-N 2 1 225.336 0.195 20 0 BCADMP CNC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335111484 136233103 /nfs/dbraw/zinc/23/31/03/136233103.db2.gz PYTRPDBYIBGTHW-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CNC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335111484 136233104 /nfs/dbraw/zinc/23/31/04/136233104.db2.gz PYTRPDBYIBGTHW-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000381761873 346837996 /nfs/dbraw/zinc/83/79/96/346837996.db2.gz UDPFFTHONZYBJF-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649480612 398278181 /nfs/dbraw/zinc/27/81/81/398278181.db2.gz MQDJPXXCUUXBLU-GFCCVEGCSA-N 2 1 211.353 0.718 20 0 BCADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000082645654 398277104 /nfs/dbraw/zinc/27/71/04/398277104.db2.gz IDHRUXMAQICBRB-JTQLQIEISA-N 2 1 228.336 0.869 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249229 168381662 /nfs/dbraw/zinc/38/16/62/168381662.db2.gz VHPJFKUYPFOHGJ-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249229 168381664 /nfs/dbraw/zinc/38/16/64/168381664.db2.gz VHPJFKUYPFOHGJ-GHMZBOCLSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493639548 529384917 /nfs/dbraw/zinc/38/49/17/529384917.db2.gz DMLDZJFGDDUBOP-NNNHXZLVSA-N 2 1 239.363 0.657 20 0 BCADMP CO[C@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381860997 398280427 /nfs/dbraw/zinc/28/04/27/398280427.db2.gz WCOKKCSEDXTBGI-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP CO[C@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381860997 398280430 /nfs/dbraw/zinc/28/04/30/398280430.db2.gz WCOKKCSEDXTBGI-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP O=C1CCCN1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335131311 398280952 /nfs/dbraw/zinc/28/09/52/398280952.db2.gz UCZRAVLEEYQYDR-NEPJUHHUSA-N 2 1 237.347 0.150 20 0 BCADMP O=C1CCCN1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335131311 398280953 /nfs/dbraw/zinc/28/09/53/398280953.db2.gz UCZRAVLEEYQYDR-NEPJUHHUSA-N 2 1 237.347 0.150 20 0 BCADMP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185704023 538970857 /nfs/dbraw/zinc/97/08/57/538970857.db2.gz SGHCMKZYOQWARP-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185704023 538970858 /nfs/dbraw/zinc/97/08/58/538970858.db2.gz SGHCMKZYOQWARP-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000418513551 192045630 /nfs/dbraw/zinc/04/56/30/192045630.db2.gz AOTYACGLXHOAJZ-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417819013 398293921 /nfs/dbraw/zinc/29/39/21/398293921.db2.gz TUIKWKIZQGXVQY-NSHDSACASA-N 2 1 244.383 0.755 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)NCC[NH2+]CC ZINC000417815502 398294039 /nfs/dbraw/zinc/29/40/39/398294039.db2.gz OTKQUTXHNJETHW-UHFFFAOYSA-N 2 1 244.383 0.627 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417822696 398294587 /nfs/dbraw/zinc/29/45/87/398294587.db2.gz XFVLYUYMXHELKM-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)CC[N@H+]1C ZINC000381756938 539007341 /nfs/dbraw/zinc/00/73/41/539007341.db2.gz GGWMMLGLFQDSCO-RYUDHWBXSA-N 2 1 237.351 0.741 20 0 BCADMP OCC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000390761723 539027344 /nfs/dbraw/zinc/02/73/44/539027344.db2.gz NIBWTCUDPOUTBW-LBPRGKRZSA-N 2 1 244.404 0.928 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000037097903 398301055 /nfs/dbraw/zinc/30/10/55/398301055.db2.gz OEIACJYAFNQMBI-UHFFFAOYSA-N 2 1 201.314 0.135 20 0 BCADMP CCO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096999 342852054 /nfs/dbraw/zinc/85/20/54/342852054.db2.gz IBHZEOMKLHLXTG-XQQFMLRXSA-N 2 1 224.348 0.953 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)C1CC1 ZINC000167204546 136244580 /nfs/dbraw/zinc/24/45/80/136244580.db2.gz XXOIOPJVAMFQLY-LBPRGKRZSA-N 2 1 241.379 0.960 20 0 BCADMP C[N@@H+](CCn1ccnc1)C1(C(N)=O)CCCC1 ZINC000093214671 398310006 /nfs/dbraw/zinc/31/00/06/398310006.db2.gz HQTUAMZYIJUEPH-UHFFFAOYSA-N 2 1 236.319 0.613 20 0 BCADMP CN(C(=O)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336343507 398318209 /nfs/dbraw/zinc/31/82/09/398318209.db2.gz FPINKWONHLMOHA-FOSCPWQOSA-N 2 1 239.363 0.632 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000351479496 136245966 /nfs/dbraw/zinc/24/59/66/136245966.db2.gz LKPZDNZHINSSRY-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000418568843 192051331 /nfs/dbraw/zinc/05/13/31/192051331.db2.gz XOKNCPRWOHVSPY-NSHDSACASA-N 2 1 240.351 0.285 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000418583831 192053363 /nfs/dbraw/zinc/05/33/63/192053363.db2.gz ATXJBCXALGQJGT-DCAQKATOSA-N 2 1 242.367 0.458 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827013 398334815 /nfs/dbraw/zinc/33/48/15/398334815.db2.gz POKZJJALGPOUGA-GFCCVEGCSA-N 2 1 239.363 0.666 20 0 BCADMP CSC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000580314451 346896868 /nfs/dbraw/zinc/89/68/68/346896868.db2.gz SQMSBNYJMSNCSP-PWSUYJOCSA-N 2 1 244.404 0.784 20 0 BCADMP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351811818 136254646 /nfs/dbraw/zinc/25/46/46/136254646.db2.gz COSHRIQPSMBJMP-MPZDIEGVSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351811818 136254647 /nfs/dbraw/zinc/25/46/47/136254647.db2.gz COSHRIQPSMBJMP-MPZDIEGVSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351811818 136254648 /nfs/dbraw/zinc/25/46/48/136254648.db2.gz COSHRIQPSMBJMP-MPZDIEGVSA-N 2 1 242.363 0.002 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000351859159 136258791 /nfs/dbraw/zinc/25/87/91/136258791.db2.gz BOJRKXCDTFLFPJ-UMNHJUIQSA-N 2 1 237.347 0.419 20 0 BCADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870190 342992686 /nfs/dbraw/zinc/99/26/86/342992686.db2.gz ZZXCACDPMHAQIT-LLVKDONJSA-N 2 1 246.376 0.105 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CC1 ZINC000335905502 136260800 /nfs/dbraw/zinc/26/08/00/136260800.db2.gz MAGUJEHOHJRTPC-WPRPVWTQSA-N 2 1 223.320 0.077 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)CC1)C1CC1 ZINC000309103343 259342464 /nfs/dbraw/zinc/34/24/64/259342464.db2.gz KNEJMZUGSKUJTO-NSHDSACASA-N 2 1 212.337 0.831 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)CC1)C1CC1 ZINC000309103343 259342466 /nfs/dbraw/zinc/34/24/66/259342466.db2.gz KNEJMZUGSKUJTO-NSHDSACASA-N 2 1 212.337 0.831 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309398493 259343202 /nfs/dbraw/zinc/34/32/02/259343202.db2.gz ITFMQTRYNWVYCD-PWSUYJOCSA-N 2 1 230.352 0.314 20 0 BCADMP COC[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309398493 259343204 /nfs/dbraw/zinc/34/32/04/259343204.db2.gz ITFMQTRYNWVYCD-PWSUYJOCSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H](O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000576823099 365694984 /nfs/dbraw/zinc/69/49/84/365694984.db2.gz NNVYWJDSEFXOBT-PWSUYJOCSA-N 2 1 228.336 0.068 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181470126 259346440 /nfs/dbraw/zinc/34/64/40/259346440.db2.gz FEESBNFNPSEQTP-UWVGGRQHSA-N 2 1 241.335 0.509 20 0 BCADMP COC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181470126 259346441 /nfs/dbraw/zinc/34/64/41/259346441.db2.gz FEESBNFNPSEQTP-UWVGGRQHSA-N 2 1 241.335 0.509 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000383813087 349793154 /nfs/dbraw/zinc/79/31/54/349793154.db2.gz VRZYXLTZWSOEPZ-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C[NH+](C)C)CC[N@H+]1C ZINC000175100597 362027024 /nfs/dbraw/zinc/02/70/24/362027024.db2.gz AAODAFGBWNIPJZ-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237050302 343121826 /nfs/dbraw/zinc/12/18/26/343121826.db2.gz HMZYIDYEKRSSII-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237066983 343122302 /nfs/dbraw/zinc/12/23/02/343122302.db2.gz SQBREOLLYZFMQR-GFCCVEGCSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092956366 343150260 /nfs/dbraw/zinc/15/02/60/343150260.db2.gz YKLFXWJVHLNYSK-HOSYDEDBSA-N 2 1 237.347 0.337 20 0 BCADMP Cc1ncc2c(n1)CC[N@@H+](CCOCC[NH3+])C2 ZINC000576875366 365711342 /nfs/dbraw/zinc/71/13/42/365711342.db2.gz YOBZQJBUIZALFA-UHFFFAOYSA-N 2 1 236.319 0.118 20 0 BCADMP Cc1ncc2c(n1)CC[N@H+](CCOCC[NH3+])C2 ZINC000576875366 365711345 /nfs/dbraw/zinc/71/13/45/365711345.db2.gz YOBZQJBUIZALFA-UHFFFAOYSA-N 2 1 236.319 0.118 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778924 343125716 /nfs/dbraw/zinc/12/57/16/343125716.db2.gz IMKVQKUGBBHIJA-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000576944041 365728172 /nfs/dbraw/zinc/72/81/72/365728172.db2.gz QFPCEEPIBBXHGP-RYUDHWBXSA-N 2 1 249.362 0.637 20 0 BCADMP C[N@H+](CC(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000237056436 136272163 /nfs/dbraw/zinc/27/21/63/136272163.db2.gz VOMILGSGKSIMAW-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP C[N@@H+](CC(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000237056436 136272164 /nfs/dbraw/zinc/27/21/64/136272164.db2.gz VOMILGSGKSIMAW-UHFFFAOYSA-N 2 1 249.358 0.974 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[N@H+]1C ZINC000157886176 343200267 /nfs/dbraw/zinc/20/02/67/343200267.db2.gz JVQOTCXKYGWXKD-ONGXEEELSA-N 2 1 225.336 0.337 20 0 BCADMP COC[C@@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000163536418 343206907 /nfs/dbraw/zinc/20/69/07/343206907.db2.gz AMIQBOVPCKCZJV-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cccn1 ZINC000133593730 343191359 /nfs/dbraw/zinc/19/13/59/343191359.db2.gz QHQYNCHCJOGMSG-GHMZBOCLSA-N 2 1 208.309 0.695 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cccn1 ZINC000133593937 343191366 /nfs/dbraw/zinc/19/13/66/343191366.db2.gz QHQYNCHCJOGMSG-WDEREUQCSA-N 2 1 208.309 0.695 20 0 BCADMP CN1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000082774884 136277174 /nfs/dbraw/zinc/27/71/74/136277174.db2.gz PNYHBHSCECYNDB-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000082774884 136277175 /nfs/dbraw/zinc/27/71/75/136277175.db2.gz PNYHBHSCECYNDB-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000634688588 343249081 /nfs/dbraw/zinc/24/90/81/343249081.db2.gz XAZAZEZELMXZQU-RYUDHWBXSA-N 2 1 230.352 0.722 20 0 BCADMP C[C@@H]1CSCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000069760982 343290857 /nfs/dbraw/zinc/29/08/57/343290857.db2.gz MHXKJBKFXYHUIE-LLVKDONJSA-N 2 1 229.393 0.329 20 0 BCADMP C[C@H]1CSCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000069760983 343291046 /nfs/dbraw/zinc/29/10/46/343291046.db2.gz MHXKJBKFXYHUIE-NSHDSACASA-N 2 1 229.393 0.329 20 0 BCADMP C[NH2+]CCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000569817762 323041767 /nfs/dbraw/zinc/04/17/67/323041767.db2.gz YACXIUPNAGPLIC-QWRGUYRKSA-N 2 1 230.377 0.802 20 0 BCADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@@H](C)C1 ZINC000348757893 136297485 /nfs/dbraw/zinc/29/74/85/136297485.db2.gz YZEYPCZWEIAYPV-NSHDSACASA-N 2 1 222.336 0.875 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639388 136303326 /nfs/dbraw/zinc/30/33/26/136303326.db2.gz UGPMGKAXPUJJEO-ZYHUDNBSSA-N 3 1 211.353 0.574 20 0 BCADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000037691446 343351330 /nfs/dbraw/zinc/35/13/30/343351330.db2.gz OAKDXCMEIBKEFE-NEPJUHHUSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+](C)C1CC1 ZINC000398164723 488213580 /nfs/dbraw/zinc/21/35/80/488213580.db2.gz LYGZOWLPTLUIDD-SECBINFHSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000166233751 136315907 /nfs/dbraw/zinc/31/59/07/136315907.db2.gz HRSAEMWTIPFGPL-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000166233751 136315908 /nfs/dbraw/zinc/31/59/08/136315908.db2.gz HRSAEMWTIPFGPL-UWVGGRQHSA-N 2 1 208.309 0.589 20 0 BCADMP CC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000166233327 136316063 /nfs/dbraw/zinc/31/60/63/136316063.db2.gz FEYQDMAXCBOPPC-LBPRGKRZSA-N 2 1 211.353 0.624 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000166234953 136316630 /nfs/dbraw/zinc/31/66/30/136316630.db2.gz QKHDOPJEKSNHDZ-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000166234953 136316631 /nfs/dbraw/zinc/31/66/31/136316631.db2.gz QKHDOPJEKSNHDZ-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000310292756 343419547 /nfs/dbraw/zinc/41/95/47/343419547.db2.gz RVPOAMMJNNKJNS-XQQFMLRXSA-N 2 1 246.395 0.950 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000310292756 343419549 /nfs/dbraw/zinc/41/95/49/343419549.db2.gz RVPOAMMJNNKJNS-XQQFMLRXSA-N 2 1 246.395 0.950 20 0 BCADMP CCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594504 343450614 /nfs/dbraw/zinc/45/06/14/343450614.db2.gz PYTMTEIYZWTROQ-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594504 343450616 /nfs/dbraw/zinc/45/06/16/343450616.db2.gz PYTMTEIYZWTROQ-JTQLQIEISA-N 2 1 213.325 0.326 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000166640110 136362325 /nfs/dbraw/zinc/36/23/25/136362325.db2.gz ZTYFPIAVYOHXEZ-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP COC[C@]1(C[NH2+]CC2CC[NH2+]CC2)CCCN1 ZINC000576992493 365745826 /nfs/dbraw/zinc/74/58/26/365745826.db2.gz QFEYUOKDSQJDEG-CYBMUJFWSA-N 2 1 241.379 0.344 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000310389031 343469949 /nfs/dbraw/zinc/46/99/49/343469949.db2.gz KQEFSVGEGNQTPK-WOPDTQHZSA-N 2 1 242.363 0.191 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000310389031 343469950 /nfs/dbraw/zinc/46/99/50/343469950.db2.gz KQEFSVGEGNQTPK-WOPDTQHZSA-N 2 1 242.363 0.191 20 0 BCADMP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000082993305 343470477 /nfs/dbraw/zinc/47/04/77/343470477.db2.gz QWGNDQYJUCAQCU-WAAKLRNESA-N 2 1 212.337 0.972 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000310401872 343472449 /nfs/dbraw/zinc/47/24/49/343472449.db2.gz NHTWAPDLBJGXGA-RTXFEEFZSA-N 2 1 242.363 0.192 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000310401872 343472450 /nfs/dbraw/zinc/47/24/50/343472450.db2.gz NHTWAPDLBJGXGA-RTXFEEFZSA-N 2 1 242.363 0.192 20 0 BCADMP C[NH2+]C[C@H]1CCCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000570221725 323053074 /nfs/dbraw/zinc/05/30/74/323053074.db2.gz AORHKNCTJOPYGS-SECBINFHSA-N 2 1 249.305 0.429 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000086068757 343609414 /nfs/dbraw/zinc/60/94/14/343609414.db2.gz FAIMKOJLFRWBJI-SNVBAGLBSA-N 2 1 215.341 0.298 20 0 BCADMP C[C@@H](CC[NH+](C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000557633994 343715062 /nfs/dbraw/zinc/71/50/62/343715062.db2.gz QTKQBYXIDGRDLY-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[C@@H](NCC[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000624335553 343717934 /nfs/dbraw/zinc/71/79/34/343717934.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 2 1 241.379 0.125 20 0 BCADMP Cc1ncc(C[N@H+](C[C@H](O)CO)C(C)C)n1C ZINC000668245252 537807626 /nfs/dbraw/zinc/80/76/26/537807626.db2.gz YGTYFFCVHUHOBL-LBPRGKRZSA-N 2 1 241.335 0.292 20 0 BCADMP Cc1ncc(CN(C[C@H](O)CO)C(C)C)n1C ZINC000668245252 537807631 /nfs/dbraw/zinc/80/76/31/537807631.db2.gz YGTYFFCVHUHOBL-LBPRGKRZSA-N 2 1 241.335 0.292 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154647232 343730504 /nfs/dbraw/zinc/73/05/04/343730504.db2.gz PFSYGRSLUYRXRX-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP CCC[N@H+](CC)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000178836265 346967100 /nfs/dbraw/zinc/96/71/00/346967100.db2.gz ZSCHSVXSZAKKKY-JTQLQIEISA-N 2 1 245.392 0.497 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000178836265 346967103 /nfs/dbraw/zinc/96/71/03/346967103.db2.gz ZSCHSVXSZAKKKY-JTQLQIEISA-N 2 1 245.392 0.497 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](CC)CC1 ZINC000418738815 192065216 /nfs/dbraw/zinc/06/52/16/192065216.db2.gz XSEQKEVJGGQEDD-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ccn1 ZINC000621774391 343897750 /nfs/dbraw/zinc/89/77/50/343897750.db2.gz SCJRUDFXMAPBPT-UHFFFAOYSA-N 2 1 248.374 0.727 20 0 BCADMP C[NH2+]C(C)(C)c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641173057 362252774 /nfs/dbraw/zinc/25/27/74/362252774.db2.gz JDBITPHMMONVML-UHFFFAOYSA-N 2 1 248.334 0.709 20 0 BCADMP CCC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724474 343932776 /nfs/dbraw/zinc/93/27/76/343932776.db2.gz QXHTVYNPXCXNRD-WCQYABFASA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724474 343932778 /nfs/dbraw/zinc/93/27/78/343932778.db2.gz QXHTVYNPXCXNRD-WCQYABFASA-N 2 1 244.379 0.582 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000674245748 487535515 /nfs/dbraw/zinc/53/55/15/487535515.db2.gz WCVFAWGZOVLYJR-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000634733390 344113266 /nfs/dbraw/zinc/11/32/66/344113266.db2.gz DSSHDOGYXJDOBF-DYEKYZERSA-N 3 1 237.391 0.964 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000130580393 344149665 /nfs/dbraw/zinc/14/96/65/344149665.db2.gz CSDXONQYWIVISF-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129385108 344213160 /nfs/dbraw/zinc/21/31/60/344213160.db2.gz VBTFCZHDCHJSOB-NSHDSACASA-N 2 1 200.326 0.831 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCOCCO)CC[N@H+]1C ZINC000129749251 344214432 /nfs/dbraw/zinc/21/44/32/344214432.db2.gz SXKWBEVMVLZQQE-WDEREUQCSA-N 2 1 216.325 0.068 20 0 BCADMP C[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894148 344216135 /nfs/dbraw/zinc/21/61/35/344216135.db2.gz LRIXFAKSUCRVMN-AAXDQBDMSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894148 344216138 /nfs/dbraw/zinc/21/61/38/344216138.db2.gz LRIXFAKSUCRVMN-AAXDQBDMSA-N 2 1 242.363 0.597 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)O1 ZINC000384894148 344216140 /nfs/dbraw/zinc/21/61/40/344216140.db2.gz LRIXFAKSUCRVMN-AAXDQBDMSA-N 2 1 242.363 0.597 20 0 BCADMP CC1CCC(O)(C[NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000087062602 344227633 /nfs/dbraw/zinc/22/76/33/344227633.db2.gz AOSWNFAWTDFCNX-CPCZMJQVSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[C@H](C)[NH3+] ZINC000622044975 344229445 /nfs/dbraw/zinc/22/94/45/344229445.db2.gz YZDLLPWKMBKROS-HBNTYKKESA-N 2 1 215.341 0.080 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779082 344310893 /nfs/dbraw/zinc/31/08/93/344310893.db2.gz BZPOJOHTXZYJRN-XQQFMLRXSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779082 344310895 /nfs/dbraw/zinc/31/08/95/344310895.db2.gz BZPOJOHTXZYJRN-XQQFMLRXSA-N 2 1 242.363 0.266 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779082 344310896 /nfs/dbraw/zinc/31/08/96/344310896.db2.gz BZPOJOHTXZYJRN-XQQFMLRXSA-N 2 1 242.363 0.266 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000133048833 344313056 /nfs/dbraw/zinc/31/30/56/344313056.db2.gz SHFKVNCYYWLTOG-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133048833 344313060 /nfs/dbraw/zinc/31/30/60/344313060.db2.gz SHFKVNCYYWLTOG-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131903133 344364975 /nfs/dbraw/zinc/36/49/75/344364975.db2.gz YVVKFKHTXLOPTN-GUBZILKMSA-N 2 1 243.376 0.235 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000133320647 344317734 /nfs/dbraw/zinc/31/77/34/344317734.db2.gz XDBPZFYEIASWHE-NXEZZACHSA-N 2 1 202.342 0.933 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131902739 344365271 /nfs/dbraw/zinc/36/52/71/344365271.db2.gz YVVKFKHTXLOPTN-AEJSXWLSSA-N 2 1 243.376 0.235 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000144889016 344328428 /nfs/dbraw/zinc/32/84/28/344328428.db2.gz WOKCMHRRVVNWSJ-UHFFFAOYSA-N 2 1 219.288 0.790 20 0 BCADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036190054 344332028 /nfs/dbraw/zinc/33/20/28/344332028.db2.gz SYVOFLNKVQHLQI-VXGBXAGGSA-N 2 1 241.379 0.912 20 0 BCADMP COC(=O)CCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000600712044 344361686 /nfs/dbraw/zinc/36/16/86/344361686.db2.gz VSENQUMGPCYBTR-UHFFFAOYSA-N 2 1 216.325 0.999 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CC)C[C@@H]1O ZINC000400090028 344302015 /nfs/dbraw/zinc/30/20/15/344302015.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)C[C@@H]1O ZINC000400090028 344302019 /nfs/dbraw/zinc/30/20/19/344302019.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H]1O ZINC000400090028 344302025 /nfs/dbraw/zinc/30/20/25/344302025.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H]1O ZINC000400090028 344302027 /nfs/dbraw/zinc/30/20/27/344302027.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@H]1O ZINC000400090028 344302029 /nfs/dbraw/zinc/30/20/29/344302029.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1O ZINC000400090028 344302032 /nfs/dbraw/zinc/30/20/32/344302032.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000582122920 344425363 /nfs/dbraw/zinc/42/53/63/344425363.db2.gz QRUSLXBAWZADBS-RWMBFGLXSA-N 3 1 223.364 0.527 20 0 BCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000107368986 347050809 /nfs/dbraw/zinc/05/08/09/347050809.db2.gz CATKFOYMADXSHM-ZDUSSCGKSA-N 2 1 241.379 0.345 20 0 BCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH3+] ZINC000236910345 344455360 /nfs/dbraw/zinc/45/53/60/344455360.db2.gz SHSFJHMIJPQDPP-SNVBAGLBSA-N 2 1 213.325 0.326 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000037477586 344508707 /nfs/dbraw/zinc/50/87/07/344508707.db2.gz NNJDFEGUYJDFCK-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CC[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037478153 344508865 /nfs/dbraw/zinc/50/88/65/344508865.db2.gz DUSYPJCZVFHBLI-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccncc1)C1CC1 ZINC000381405000 344501791 /nfs/dbraw/zinc/50/17/91/344501791.db2.gz XHYFJVWCTCRVJC-AWEZNQCLSA-N 2 1 249.358 0.669 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccncc1)C1CC1 ZINC000381405000 344501793 /nfs/dbraw/zinc/50/17/93/344501793.db2.gz XHYFJVWCTCRVJC-AWEZNQCLSA-N 2 1 249.358 0.669 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531313 344541510 /nfs/dbraw/zinc/54/15/10/344541510.db2.gz ASUIAWSLDXZPFP-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531313 344541512 /nfs/dbraw/zinc/54/15/12/344541512.db2.gz ASUIAWSLDXZPFP-NXEZZACHSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672754380 488265634 /nfs/dbraw/zinc/26/56/34/488265634.db2.gz NTLQBRRBFBQECZ-QWRGUYRKSA-N 2 1 242.367 0.330 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643493 344555418 /nfs/dbraw/zinc/55/54/18/344555418.db2.gz WLVYKVOWVDVWSN-YPMHNXCESA-N 2 1 241.379 0.962 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643491 344555583 /nfs/dbraw/zinc/55/55/83/344555583.db2.gz WLVYKVOWVDVWSN-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641427527 362412060 /nfs/dbraw/zinc/41/20/60/362412060.db2.gz ZOOHFCWZSYFQJU-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP CC[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309418285 347058508 /nfs/dbraw/zinc/05/85/08/347058508.db2.gz LBOIPDWLUIHEOR-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP CC[C@@H](CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309418285 347058509 /nfs/dbraw/zinc/05/85/09/347058509.db2.gz LBOIPDWLUIHEOR-JQWIXIFHSA-N 2 1 230.352 0.192 20 0 BCADMP Fc1cnccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000641488555 362456170 /nfs/dbraw/zinc/45/61/70/362456170.db2.gz IVNALBVLCZGRDH-JTQLQIEISA-N 2 1 237.278 0.742 20 0 BCADMP Fc1cnccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000641488555 362456175 /nfs/dbraw/zinc/45/61/75/362456175.db2.gz IVNALBVLCZGRDH-JTQLQIEISA-N 2 1 237.278 0.742 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH3+])C[C@H]1C ZINC000641493727 362459640 /nfs/dbraw/zinc/45/96/40/362459640.db2.gz PLXWGTNFYIMWET-MXWKQRLJSA-N 2 1 242.367 0.458 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH3+])C[C@@H]1C ZINC000641493728 362460111 /nfs/dbraw/zinc/46/01/11/362460111.db2.gz PLXWGTNFYIMWET-VWYCJHECSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000577867798 344639711 /nfs/dbraw/zinc/63/97/11/344639711.db2.gz ADMLFSCBNCVFTH-DCAQKATOSA-N 2 1 240.351 0.130 20 0 BCADMP Cc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000574289805 344733908 /nfs/dbraw/zinc/73/39/08/344733908.db2.gz AJXPSLWNIRKKER-QWRGUYRKSA-N 2 1 246.314 0.138 20 0 BCADMP CCSCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000158572592 344682844 /nfs/dbraw/zinc/68/28/44/344682844.db2.gz XVYVZSYXPHVJAE-UHFFFAOYSA-N 2 1 231.409 0.577 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661766650 537855140 /nfs/dbraw/zinc/85/51/40/537855140.db2.gz GZULAGINDAJTPB-WCFLWFBJSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661766650 537855147 /nfs/dbraw/zinc/85/51/47/537855147.db2.gz GZULAGINDAJTPB-WCFLWFBJSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661766650 537855150 /nfs/dbraw/zinc/85/51/50/537855150.db2.gz GZULAGINDAJTPB-WCFLWFBJSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@H](O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661766650 537855156 /nfs/dbraw/zinc/85/51/56/537855156.db2.gz GZULAGINDAJTPB-WCFLWFBJSA-N 2 1 242.363 0.287 20 0 BCADMP CC[N@H+]1CC[C@H](NC2CN(C(C)=O)C2)[C@H](C)C1 ZINC000574171272 344693375 /nfs/dbraw/zinc/69/33/75/344693375.db2.gz LXIUJXHVNDOSQX-MFKMUULPSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH2+]C2CN(C(C)=O)C2)[C@H](C)C1 ZINC000574171272 344693376 /nfs/dbraw/zinc/69/33/76/344693376.db2.gz LXIUJXHVNDOSQX-MFKMUULPSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088902 537871121 /nfs/dbraw/zinc/87/11/21/537871121.db2.gz DSCHOTQXZYPWIS-WOPDTQHZSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H](CC1CCOCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154391333 345029556 /nfs/dbraw/zinc/02/95/56/345029556.db2.gz YBPKCSZAWMIGKM-YPMHNXCESA-N 2 1 244.379 0.704 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059728 345122690 /nfs/dbraw/zinc/12/26/90/345122690.db2.gz YQSFJRPGJDSKRB-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059728 345122691 /nfs/dbraw/zinc/12/26/91/345122691.db2.gz YQSFJRPGJDSKRB-HBNTYKKESA-N 2 1 225.336 0.337 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N(C)C ZINC000155853524 345110641 /nfs/dbraw/zinc/11/06/41/345110641.db2.gz HOFRLAXOHQZEIS-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N(C)C ZINC000155853524 345110644 /nfs/dbraw/zinc/11/06/44/345110644.db2.gz HOFRLAXOHQZEIS-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000634991893 345179196 /nfs/dbraw/zinc/17/91/96/345179196.db2.gz VRHBXWGRQHSTFT-GRYCIOLGSA-N 3 1 213.369 0.886 20 0 BCADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000634991893 345179198 /nfs/dbraw/zinc/17/91/98/345179198.db2.gz VRHBXWGRQHSTFT-GRYCIOLGSA-N 3 1 213.369 0.886 20 0 BCADMP CC[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634994821 345182684 /nfs/dbraw/zinc/18/26/84/345182684.db2.gz NUAWKMMVKMRPLM-BFUDSRACSA-N 2 1 210.321 0.441 20 0 BCADMP CC[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634994821 345182685 /nfs/dbraw/zinc/18/26/85/345182685.db2.gz NUAWKMMVKMRPLM-BFUDSRACSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994674 345182761 /nfs/dbraw/zinc/18/27/61/345182761.db2.gz KDKNRBPSYMVLAW-ZFDZMSFRSA-N 2 1 223.364 0.763 20 0 BCADMP C([NH+]1CCC2(CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC000634995116 345183329 /nfs/dbraw/zinc/18/33/29/345183329.db2.gz VPJLDPQJHFWUIX-UHFFFAOYSA-N 3 1 235.375 0.814 20 0 BCADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000634995746 345185465 /nfs/dbraw/zinc/18/54/65/345185465.db2.gz NRJJWCLRTCHLGZ-UTUOFQBUSA-N 3 1 213.369 0.947 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[NH2+]CCC[NH2+]C1CC1 ZINC000634996023 345185796 /nfs/dbraw/zinc/18/57/96/345185796.db2.gz WRJQOCMCLHTGBI-NSHDSACASA-N 3 1 213.369 0.949 20 0 BCADMP O=C1CC[C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996910 345186947 /nfs/dbraw/zinc/18/69/47/345186947.db2.gz YRGXGTVMFIDQPX-MRFPXMQZSA-N 2 1 249.358 0.339 20 0 BCADMP O=C1CC[C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996910 345186948 /nfs/dbraw/zinc/18/69/48/345186948.db2.gz YRGXGTVMFIDQPX-MRFPXMQZSA-N 2 1 249.358 0.339 20 0 BCADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634966370 345138595 /nfs/dbraw/zinc/13/85/95/345138595.db2.gz KSWYEANNUUTOFM-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634966370 345138597 /nfs/dbraw/zinc/13/85/97/345138597.db2.gz KSWYEANNUUTOFM-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP c1cn(C[C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996523 345188373 /nfs/dbraw/zinc/18/83/73/345188373.db2.gz MPIXKWPJBLVZTF-HIFPTAJRSA-N 2 1 247.346 0.352 20 0 BCADMP c1cn(C[C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996523 345188375 /nfs/dbraw/zinc/18/83/75/345188375.db2.gz MPIXKWPJBLVZTF-HIFPTAJRSA-N 2 1 247.346 0.352 20 0 BCADMP CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635058262 345232045 /nfs/dbraw/zinc/23/20/45/345232045.db2.gz IZQHVCXHVFUVBV-UHFFFAOYSA-N 2 1 239.363 0.492 20 0 BCADMP C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635068120 345236643 /nfs/dbraw/zinc/23/66/43/345236643.db2.gz GBBIVJSMHQMLNO-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635068525 345237299 /nfs/dbraw/zinc/23/72/99/345237299.db2.gz JSWJBPLMNXSAHP-JTQLQIEISA-N 2 1 213.325 0.006 20 0 BCADMP C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994101 345192626 /nfs/dbraw/zinc/19/26/26/345192626.db2.gz QLDYXIITNRMYNA-QTAHKJALSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994101 345192628 /nfs/dbraw/zinc/19/26/28/345192628.db2.gz QLDYXIITNRMYNA-QTAHKJALSA-N 2 1 210.321 0.441 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994214 345192766 /nfs/dbraw/zinc/19/27/66/345192766.db2.gz VWOFQFXFBXWPOL-OKZRHMCRSA-N 2 1 223.364 0.763 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000634997551 345196270 /nfs/dbraw/zinc/19/62/70/345196270.db2.gz NSIOOEQDSOZVNU-HBNTYKKESA-N 2 1 217.332 0.588 20 0 BCADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000634997551 345196274 /nfs/dbraw/zinc/19/62/74/345196274.db2.gz NSIOOEQDSOZVNU-HBNTYKKESA-N 2 1 217.332 0.588 20 0 BCADMP N[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003164 345205510 /nfs/dbraw/zinc/20/55/10/345205510.db2.gz AFHFFIILBQQHJO-DDHJBXDOSA-N 2 1 211.353 0.973 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CC(O)(CC)CC ZINC000626111837 345276674 /nfs/dbraw/zinc/27/66/74/345276674.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+](C)C[C@H](O)CN(C)CC(O)(CC)CC ZINC000626111837 345276677 /nfs/dbraw/zinc/27/66/77/345276677.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(O)(CC)CC ZINC000626111837 345276681 /nfs/dbraw/zinc/27/66/81/345276681.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(O)(CC)CC ZINC000626111837 345276683 /nfs/dbraw/zinc/27/66/83/345276683.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(O)(CC)CC ZINC000626111837 345276686 /nfs/dbraw/zinc/27/66/86/345276686.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(O)(CC)CC ZINC000626111837 345276688 /nfs/dbraw/zinc/27/66/88/345276688.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 1 246.395 0.782 20 0 BCADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635400418 345347069 /nfs/dbraw/zinc/34/70/69/345347069.db2.gz VQUXPHXRSRJQSG-NSHDSACASA-N 2 1 239.363 0.396 20 0 BCADMP O=C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000158540355 345347151 /nfs/dbraw/zinc/34/71/51/345347151.db2.gz ZOSYSAXPUPXVDY-WDEREUQCSA-N 2 1 223.320 0.045 20 0 BCADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000635422601 345358585 /nfs/dbraw/zinc/35/85/85/345358585.db2.gz YCTUTSSVJGFZDI-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635442072 345371340 /nfs/dbraw/zinc/37/13/40/345371340.db2.gz MGNQAMUHMVOTNS-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000635507736 345406756 /nfs/dbraw/zinc/40/67/56/345406756.db2.gz LWZHEDCEPROKAM-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849872 345577580 /nfs/dbraw/zinc/57/75/80/345577580.db2.gz ILYFJOMGAOEZAM-FDYHWXHSSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000261530259 534998597 /nfs/dbraw/zinc/99/85/97/534998597.db2.gz CCLFHBPIRWCKJD-UHFFFAOYSA-N 2 1 213.325 0.195 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262595738 534997507 /nfs/dbraw/zinc/99/75/07/534997507.db2.gz UXTCTTJQLACCDZ-NSHDSACASA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000563086448 323090566 /nfs/dbraw/zinc/09/05/66/323090566.db2.gz JTWVRLOVSCSACN-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCCCC1 ZINC000220580180 345746574 /nfs/dbraw/zinc/74/65/74/345746574.db2.gz XOTAYYKPPYXQTK-LBPRGKRZSA-N 2 1 211.353 0.812 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635557467 345717462 /nfs/dbraw/zinc/71/74/62/345717462.db2.gz ANFGOXOQLSETKH-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635557467 345717464 /nfs/dbraw/zinc/71/74/64/345717464.db2.gz ANFGOXOQLSETKH-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635557467 345717465 /nfs/dbraw/zinc/71/74/65/345717465.db2.gz ANFGOXOQLSETKH-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000159979467 345768030 /nfs/dbraw/zinc/76/80/30/345768030.db2.gz PSWIXNRICDHKHI-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000635601380 345888007 /nfs/dbraw/zinc/88/80/07/345888007.db2.gz ATOXWWMCQZGJID-IJLUTSLNSA-N 2 1 241.379 0.735 20 0 BCADMP CC1=CC[N@@H+](CCNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635801997 346067946 /nfs/dbraw/zinc/06/79/46/346067946.db2.gz PPIKKLVATCLMST-GFCCVEGCSA-N 2 1 239.363 0.705 20 0 BCADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000635993789 346143936 /nfs/dbraw/zinc/14/39/36/346143936.db2.gz ASPTWJWUYGXOGA-YEJSDXFRSA-N 2 1 239.363 0.678 20 0 BCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635993837 346144206 /nfs/dbraw/zinc/14/42/06/346144206.db2.gz BKQCLFHNDOAUKW-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635993837 346144207 /nfs/dbraw/zinc/14/42/07/346144207.db2.gz BKQCLFHNDOAUKW-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635926320 346117061 /nfs/dbraw/zinc/11/70/61/346117061.db2.gz PNLQVFDCHBAVNV-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ncc[nH]1 ZINC000635952070 346121952 /nfs/dbraw/zinc/12/19/52/346121952.db2.gz MELIEULAMIGXCR-NXEZZACHSA-N 2 1 236.319 0.929 20 0 BCADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000635956506 346131691 /nfs/dbraw/zinc/13/16/91/346131691.db2.gz YLYFLQNXPHPMIS-VWYCJHECSA-N 2 1 225.336 0.099 20 0 BCADMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000635956499 346131797 /nfs/dbraw/zinc/13/17/97/346131797.db2.gz YLYFLQNXPHPMIS-GMTAPVOTSA-N 2 1 225.336 0.099 20 0 BCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636011956 346153292 /nfs/dbraw/zinc/15/32/92/346153292.db2.gz QNDJXWKHEWYULO-NEPJUHHUSA-N 2 1 241.379 0.878 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000628253590 346230391 /nfs/dbraw/zinc/23/03/91/346230391.db2.gz OZELVFWSTHOQSQ-BDAKNGLRSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(N)=O ZINC000628253590 346230394 /nfs/dbraw/zinc/23/03/94/346230394.db2.gz OZELVFWSTHOQSQ-BDAKNGLRSA-N 2 1 213.325 0.323 20 0 BCADMP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069277606 349943814 /nfs/dbraw/zinc/94/38/14/349943814.db2.gz UKEHDSLNGPQDTH-WCQYABFASA-N 2 1 242.363 0.458 20 0 BCADMP CN(CCCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC000673840797 488309353 /nfs/dbraw/zinc/30/93/53/488309353.db2.gz OAXZMEFEUFYMHE-GFCCVEGCSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636223096 346358480 /nfs/dbraw/zinc/35/84/80/346358480.db2.gz CZJWKRZOUSRXSN-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP [NH3+]CCCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000069734023 349956400 /nfs/dbraw/zinc/95/64/00/349956400.db2.gz HLMFHPHRIWTKHC-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CCN(C(=O)CN(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000617929149 346379913 /nfs/dbraw/zinc/37/99/13/346379913.db2.gz CESFFBJTPGDDBU-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP CCN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000617929149 346379916 /nfs/dbraw/zinc/37/99/16/346379916.db2.gz CESFFBJTPGDDBU-NSHDSACASA-N 2 1 227.352 0.491 20 0 BCADMP C[N@@H+](CCNC(=O)CCCC[NH3+])C1CC1 ZINC000069734314 349957046 /nfs/dbraw/zinc/95/70/46/349957046.db2.gz QDNHORZPAWASKI-UHFFFAOYSA-N 2 1 213.325 0.326 20 0 BCADMP Cc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000042435760 179066728 /nfs/dbraw/zinc/06/67/28/179066728.db2.gz JXSBJTFXGIADQB-GFCCVEGCSA-N 2 1 208.305 0.746 20 0 BCADMP CN(C)c1nc(N(C)[C@@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000160214941 346444505 /nfs/dbraw/zinc/44/45/05/346444505.db2.gz AWUOAOXPGDNHJA-JTQLQIEISA-N 2 1 235.335 0.716 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000563411371 323124659 /nfs/dbraw/zinc/12/46/59/323124659.db2.gz FCOAUGRUUCSAST-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP Cn1cncc1CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000641800112 362750664 /nfs/dbraw/zinc/75/06/64/362750664.db2.gz WMFGAHVWMAIBTF-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1cncc1CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000641800112 362750669 /nfs/dbraw/zinc/75/06/69/362750669.db2.gz WMFGAHVWMAIBTF-GFCCVEGCSA-N 2 1 238.335 0.012 20 0 BCADMP Cn1c[nH+]cc1CCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000641798499 362745563 /nfs/dbraw/zinc/74/55/63/362745563.db2.gz NFRUVPVVWCFUGC-CYBMUJFWSA-N 2 1 234.347 0.789 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CCc1c[nH+]cn1C ZINC000641797129 362741308 /nfs/dbraw/zinc/74/13/08/362741308.db2.gz VDHAQMYVVQOOOK-LBPRGKRZSA-N 2 1 222.336 0.646 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cncn1C ZINC000641798161 362741609 /nfs/dbraw/zinc/74/16/09/362741609.db2.gz LWOKWSJFLIHHSB-GHMZBOCLSA-N 2 1 222.336 0.632 20 0 BCADMP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641804638 362761363 /nfs/dbraw/zinc/76/13/63/362761363.db2.gz ZMWVPRRAPHVGNQ-DCAQKATOSA-N 2 1 239.363 0.711 20 0 BCADMP CC1(C)[C@H]([NH2+]Cc2cccnc2N)C[C@@H]1[NH3+] ZINC000641801012 362753335 /nfs/dbraw/zinc/75/33/35/362753335.db2.gz LDGRFPJEWVZTTC-VHSXEESVSA-N 2 1 220.320 0.879 20 0 BCADMP CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801593 362755954 /nfs/dbraw/zinc/75/59/54/362755954.db2.gz SWGITUYYPXLDRS-ZJUUUORDSA-N 2 1 241.379 0.864 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753052 346499276 /nfs/dbraw/zinc/49/92/76/346499276.db2.gz RZYGVPRTGOOPLS-VXGBXAGGSA-N 2 1 239.363 0.729 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cncn1C ZINC000641818001 362768837 /nfs/dbraw/zinc/76/88/37/362768837.db2.gz BMONLBGMFNDHLT-GHMZBOCLSA-N 2 1 222.336 0.774 20 0 BCADMP C[C@@H]1C[N@@H+](CCc2cncn2C)C[C@H]1C[NH3+] ZINC000641817959 362769518 /nfs/dbraw/zinc/76/95/18/362769518.db2.gz AHFBRXJLIYJBEQ-GHMZBOCLSA-N 2 1 222.336 0.489 20 0 BCADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000037480521 346697129 /nfs/dbraw/zinc/69/71/29/346697129.db2.gz LDNBVSOAYHFHDA-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP C[C@H]1CN(C(=O)CC(F)(F)C[NH3+])C[C@H](C)[NH2+]1 ZINC000577187288 365867211 /nfs/dbraw/zinc/86/72/11/365867211.db2.gz UPQOVPKAMYXPBM-YUMQZZPRSA-N 2 1 235.278 0.179 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328746 347166007 /nfs/dbraw/zinc/16/60/07/347166007.db2.gz CXHHIZMXWNIKEY-ZDUSSCGKSA-N 3 1 241.379 0.426 20 0 BCADMP NC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328746 347166009 /nfs/dbraw/zinc/16/60/09/347166009.db2.gz CXHHIZMXWNIKEY-ZDUSSCGKSA-N 2 1 241.379 0.426 20 0 BCADMP NC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328746 347166010 /nfs/dbraw/zinc/16/60/10/347166010.db2.gz CXHHIZMXWNIKEY-ZDUSSCGKSA-N 2 1 241.379 0.426 20 0 BCADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000309669538 347132375 /nfs/dbraw/zinc/13/23/75/347132375.db2.gz VLYNPUOVAFHSBI-JTQLQIEISA-N 2 1 227.352 0.585 20 0 BCADMP Cn1c[nH+]cc1CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000641824587 362774423 /nfs/dbraw/zinc/77/44/23/362774423.db2.gz UQJVPPSMWFPUAM-YPMHNXCESA-N 2 1 234.347 0.776 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000310292759 347256483 /nfs/dbraw/zinc/25/64/83/347256483.db2.gz RVPOAMMJNNKJNS-YNEHKIRRSA-N 2 1 246.395 0.950 20 0 BCADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000310292759 347256484 /nfs/dbraw/zinc/25/64/84/347256484.db2.gz RVPOAMMJNNKJNS-YNEHKIRRSA-N 2 1 246.395 0.950 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+]CC1(CCO)CC1)C1CC1 ZINC000310346966 347269469 /nfs/dbraw/zinc/26/94/69/347269469.db2.gz GGAMMQSKTZHOCQ-GFCCVEGCSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CCO)CC1)C1CC1 ZINC000310346966 347269473 /nfs/dbraw/zinc/26/94/73/347269473.db2.gz GGAMMQSKTZHOCQ-GFCCVEGCSA-N 2 1 242.363 0.194 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280614 347328599 /nfs/dbraw/zinc/32/85/99/347328599.db2.gz PFALQVDNDCYUIE-LLVKDONJSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](C(=O)N(C)Cc1c[nH]cn1)N(C)C ZINC000616925383 347455590 /nfs/dbraw/zinc/45/55/90/347455590.db2.gz FXKOZXHEOLWISU-QMMMGPOBSA-N 2 1 210.281 0.318 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433165 /nfs/dbraw/zinc/43/31/65/347433165.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433167 /nfs/dbraw/zinc/43/31/67/347433167.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433169 /nfs/dbraw/zinc/43/31/69/347433169.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433170 /nfs/dbraw/zinc/43/31/70/347433170.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433173 /nfs/dbraw/zinc/43/31/73/347433173.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401630529 347433174 /nfs/dbraw/zinc/43/31/74/347433174.db2.gz YEOCPPIBCNYRGN-QJPTWQEYSA-N 2 1 230.352 0.002 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382950362 347506896 /nfs/dbraw/zinc/50/68/96/347506896.db2.gz LMHRIEBOGOWFKQ-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149778310 347512573 /nfs/dbraw/zinc/51/25/73/347512573.db2.gz JXMXGRKMZQDVEH-YFKTTZPYSA-N 2 1 210.321 0.705 20 0 BCADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000590786447 347557224 /nfs/dbraw/zinc/55/72/24/347557224.db2.gz DCDPPTZAXAODMY-LLVKDONJSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)OCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000159017009 347571359 /nfs/dbraw/zinc/57/13/59/347571359.db2.gz RGTODJIJXGDRCU-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000334345607 347590802 /nfs/dbraw/zinc/59/08/02/347590802.db2.gz UZJVEHYYNISJRQ-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000591096396 347618676 /nfs/dbraw/zinc/61/86/76/347618676.db2.gz IVZGSEFSPVMVKO-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252868308 347654279 /nfs/dbraw/zinc/65/42/79/347654279.db2.gz RLLUATQNBUQLQX-FIQHERPVSA-N 2 1 239.363 0.713 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000451945053 323150890 /nfs/dbraw/zinc/15/08/90/323150890.db2.gz IGCJGNRAAXCEBF-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CCO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000451945053 323150891 /nfs/dbraw/zinc/15/08/91/323150891.db2.gz IGCJGNRAAXCEBF-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000591726717 347692769 /nfs/dbraw/zinc/69/27/69/347692769.db2.gz LDZAATHMWNQNQO-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000591726717 347692771 /nfs/dbraw/zinc/69/27/71/347692771.db2.gz LDZAATHMWNQNQO-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000591726717 347692775 /nfs/dbraw/zinc/69/27/75/347692775.db2.gz LDZAATHMWNQNQO-NWDGAFQWSA-N 2 1 239.363 0.396 20 0 BCADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591457877 347664895 /nfs/dbraw/zinc/66/48/95/347664895.db2.gz KMNXOPRXBKJOLJ-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP COC(=O)C1(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000592439095 347779079 /nfs/dbraw/zinc/77/90/79/347779079.db2.gz ZYGVBOYKUZYUTC-VHSXEESVSA-N 2 1 226.320 0.527 20 0 BCADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592494274 347787590 /nfs/dbraw/zinc/78/75/90/347787590.db2.gz OJHKUJANJNIRHM-VXGBXAGGSA-N 2 1 240.347 0.871 20 0 BCADMP COC(=O)CC1(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000592471470 347789933 /nfs/dbraw/zinc/78/99/33/347789933.db2.gz HNDSOUMYKMDCTR-SNVBAGLBSA-N 2 1 226.320 0.610 20 0 BCADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C(C)C ZINC000577317282 365924844 /nfs/dbraw/zinc/92/48/44/365924844.db2.gz VKNHYXLQKOZQAW-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C(C)C ZINC000577317282 365924847 /nfs/dbraw/zinc/92/48/47/365924847.db2.gz VKNHYXLQKOZQAW-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC000577317282 365924850 /nfs/dbraw/zinc/92/48/50/365924850.db2.gz VKNHYXLQKOZQAW-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC000577317282 365924854 /nfs/dbraw/zinc/92/48/54/365924854.db2.gz VKNHYXLQKOZQAW-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP NCC(F)(F)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000577384069 365940870 /nfs/dbraw/zinc/94/08/70/365940870.db2.gz QFBGQDSHZRPSSQ-UHFFFAOYSA-N 2 1 247.289 0.349 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000577384069 365940883 /nfs/dbraw/zinc/94/08/83/365940883.db2.gz QFBGQDSHZRPSSQ-UHFFFAOYSA-N 2 1 247.289 0.349 20 0 BCADMP C[C@@H](CSCCF)[NH2+]C[C@H](O)C[NH+](C)C ZINC000595020067 348171551 /nfs/dbraw/zinc/17/15/51/348171551.db2.gz SWUAGPKLDNXIBE-UWVGGRQHSA-N 2 1 238.372 0.590 20 0 BCADMP CSCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863291 348383720 /nfs/dbraw/zinc/38/37/20/348383720.db2.gz MRDKNYZUHDVFES-LBPRGKRZSA-N 2 1 244.404 0.880 20 0 BCADMP CSCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863291 348383721 /nfs/dbraw/zinc/38/37/21/348383721.db2.gz MRDKNYZUHDVFES-LBPRGKRZSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCCO)CC1(C)C ZINC000623487572 362911567 /nfs/dbraw/zinc/91/15/67/362911567.db2.gz IEFLVBUSAXLDHW-GFCCVEGCSA-N 2 1 244.379 0.848 20 0 BCADMP COC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901214 348394448 /nfs/dbraw/zinc/39/44/48/348394448.db2.gz SEPPFOPCNDFQBH-GFCCVEGCSA-N 2 1 240.347 0.871 20 0 BCADMP CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903549 348395496 /nfs/dbraw/zinc/39/54/96/348395496.db2.gz XYCZOJFDQANUNB-HBNTYKKESA-N 2 1 225.336 0.275 20 0 BCADMP CSC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309100795 349986702 /nfs/dbraw/zinc/98/67/02/349986702.db2.gz IZKBJACLXWKBKO-KOLCDFICSA-N 2 1 232.393 0.783 20 0 BCADMP CSC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309100795 349986705 /nfs/dbraw/zinc/98/67/05/349986705.db2.gz IZKBJACLXWKBKO-KOLCDFICSA-N 2 1 232.393 0.783 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000595904550 348396089 /nfs/dbraw/zinc/39/60/89/348396089.db2.gz FPXXTYOBLSDHOF-GARJFASQSA-N 2 1 226.320 0.479 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904771 348396384 /nfs/dbraw/zinc/39/63/84/348396384.db2.gz KQVBBTGXJLOTMH-SDDRHHMPSA-N 2 1 240.347 0.869 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH3+])CC1 ZINC000236647866 187396274 /nfs/dbraw/zinc/39/62/74/187396274.db2.gz CJRPXHHXERAMNS-UHFFFAOYSA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000070317321 349993665 /nfs/dbraw/zinc/99/36/65/349993665.db2.gz REWUSLOFFSBSFZ-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP COC1([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCCC1 ZINC000421829901 192386596 /nfs/dbraw/zinc/38/65/96/192386596.db2.gz JGMMVRZBPPGNND-VXGBXAGGSA-N 2 1 244.379 0.846 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000251026601 349181967 /nfs/dbraw/zinc/18/19/67/349181967.db2.gz GFLRQQJNUKWSEM-BJDJZHNGSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000251026601 349181968 /nfs/dbraw/zinc/18/19/68/349181968.db2.gz GFLRQQJNUKWSEM-BJDJZHNGSA-N 2 1 212.337 0.972 20 0 BCADMP C[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000251122032 349182716 /nfs/dbraw/zinc/18/27/16/349182716.db2.gz RIEWLORSLQZEGB-VXGBXAGGSA-N 2 1 227.352 0.001 20 0 BCADMP C[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000251160374 349183339 /nfs/dbraw/zinc/18/33/39/349183339.db2.gz ZUFMTYMJDUGYAX-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP O[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000238710515 490230962 /nfs/dbraw/zinc/23/09/62/490230962.db2.gz XPVLHGJSWJJHRV-NWDGAFQWSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@H](O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823075 490238769 /nfs/dbraw/zinc/23/87/69/490238769.db2.gz KNSWPWURGNGKFY-GARJFASQSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H](O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823075 490238775 /nfs/dbraw/zinc/23/87/75/490238775.db2.gz KNSWPWURGNGKFY-GARJFASQSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@H](O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823075 490238782 /nfs/dbraw/zinc/23/87/82/490238782.db2.gz KNSWPWURGNGKFY-GARJFASQSA-N 2 1 200.326 0.639 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000253238138 349229518 /nfs/dbraw/zinc/22/95/18/349229518.db2.gz PTKYRODKOMMLAX-CHWSQXEVSA-N 2 1 241.379 0.235 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623516481 362942032 /nfs/dbraw/zinc/94/20/32/362942032.db2.gz UIQLYVGJWHSUIL-GHMZBOCLSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@@H+](C)CCNc1ccnc(N(C)C)n1 ZINC000082924314 349253356 /nfs/dbraw/zinc/25/33/56/349253356.db2.gz ADCODABONHBFGY-UHFFFAOYSA-N 2 1 223.324 0.906 20 0 BCADMP CC[N@H+](C)CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924314 349253359 /nfs/dbraw/zinc/25/33/59/349253359.db2.gz ADCODABONHBFGY-UHFFFAOYSA-N 2 1 223.324 0.906 20 0 BCADMP CC[N@@H+](C)CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924314 349253362 /nfs/dbraw/zinc/25/33/62/349253362.db2.gz ADCODABONHBFGY-UHFFFAOYSA-N 2 1 223.324 0.906 20 0 BCADMP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000070586126 350032639 /nfs/dbraw/zinc/03/26/39/350032639.db2.gz ICLOXNISNXSNOB-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000070586126 350032641 /nfs/dbraw/zinc/03/26/41/350032641.db2.gz ICLOXNISNXSNOB-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070618882 350026932 /nfs/dbraw/zinc/02/69/32/350026932.db2.gz VZXHMSDIFUSFTC-PWSUYJOCSA-N 2 1 225.336 0.196 20 0 BCADMP C[C@@H](CNC(=O)C1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000219973210 350153783 /nfs/dbraw/zinc/15/37/83/350153783.db2.gz RJFNVFRNLDZJQT-VIFPVBQESA-N 2 1 225.336 0.467 20 0 BCADMP C[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000133131253 191037161 /nfs/dbraw/zinc/03/71/61/191037161.db2.gz SRYSFPVKNBNTGC-UHFFFAOYSA-N 2 1 212.337 0.833 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000427151400 191055579 /nfs/dbraw/zinc/05/55/79/191055579.db2.gz CWWUOFLRIGDHCE-UHFFFAOYSA-N 2 1 237.294 0.462 20 0 BCADMP C[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]C1 ZINC000427158590 191055710 /nfs/dbraw/zinc/05/57/10/191055710.db2.gz WKPGVVSKIVVRNA-SECBINFHSA-N 2 1 235.278 0.086 20 0 BCADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C ZINC000042588100 191066746 /nfs/dbraw/zinc/06/67/46/191066746.db2.gz DKRQVDUCRUPOLZ-MNOVXSKESA-N 2 1 202.342 0.933 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309209841 350191841 /nfs/dbraw/zinc/19/18/41/350191841.db2.gz DFCNWVWORTVYDM-IJLUTSLNSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000230191408 490388222 /nfs/dbraw/zinc/38/82/22/490388222.db2.gz IIQVLAGHDAFYGW-VWYCJHECSA-N 2 1 225.336 0.195 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358160231 180222236 /nfs/dbraw/zinc/22/22/36/180222236.db2.gz KBLCSHBODLDUEZ-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1ncccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358160231 180222238 /nfs/dbraw/zinc/22/22/38/180222238.db2.gz KBLCSHBODLDUEZ-ZDUSSCGKSA-N 2 1 235.331 0.546 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCC(N)=O ZINC000353169408 180233376 /nfs/dbraw/zinc/23/33/76/180233376.db2.gz OQOVITHUAPCTMD-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCC(N)=O ZINC000353169408 180233379 /nfs/dbraw/zinc/23/33/79/180233379.db2.gz OQOVITHUAPCTMD-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C)[NH3+] ZINC000157867066 180234709 /nfs/dbraw/zinc/23/47/09/180234709.db2.gz SUKCCRGVARASHO-VIFPVBQESA-N 2 1 224.308 0.387 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+]C1(C(N)=O)CC1 ZINC000353363757 180234793 /nfs/dbraw/zinc/23/47/93/180234793.db2.gz CJQZOGOVDWNJFK-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(N)=O ZINC000267258780 180235299 /nfs/dbraw/zinc/23/52/99/180235299.db2.gz PSTJEZUXGDSTPE-JTQLQIEISA-N 2 1 238.335 0.825 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427592100 191083222 /nfs/dbraw/zinc/08/32/22/191083222.db2.gz OEWGEERCHIWCRA-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)[NH3+] ZINC000340186383 180237443 /nfs/dbraw/zinc/23/74/43/180237443.db2.gz QVXIJTDRPRXORB-SECBINFHSA-N 2 1 224.308 0.435 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000270679244 180238849 /nfs/dbraw/zinc/23/88/49/180238849.db2.gz UJISYEDZYIOQJT-GFCCVEGCSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000270679244 180238852 /nfs/dbraw/zinc/23/88/52/180238852.db2.gz UJISYEDZYIOQJT-GFCCVEGCSA-N 2 1 223.320 0.896 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000276172342 180249920 /nfs/dbraw/zinc/24/99/20/180249920.db2.gz JDDMGCKBCUXHLF-QWRGUYRKSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000276172342 180249921 /nfs/dbraw/zinc/24/99/21/180249921.db2.gz JDDMGCKBCUXHLF-QWRGUYRKSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000329757221 180249971 /nfs/dbraw/zinc/24/99/71/180249971.db2.gz ZHBYNYSZHVXIQS-GFCCVEGCSA-N 2 1 239.319 0.275 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000329757221 180249973 /nfs/dbraw/zinc/24/99/73/180249973.db2.gz ZHBYNYSZHVXIQS-GFCCVEGCSA-N 2 1 239.319 0.275 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000261562955 180258407 /nfs/dbraw/zinc/25/84/07/180258407.db2.gz WTRLGYOTBXOOMU-NSHDSACASA-N 2 1 236.319 0.307 20 0 BCADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C)n1 ZINC000293585203 180243431 /nfs/dbraw/zinc/24/34/31/180243431.db2.gz NYCGXCGISBAMMN-UHFFFAOYSA-N 2 1 234.307 0.500 20 0 BCADMP Cc1[nH+]ccn1CCCNC1=[NH+]CCCN1 ZINC000337775838 180243611 /nfs/dbraw/zinc/24/36/11/180243611.db2.gz XPCQLLMVLGKSTE-UHFFFAOYSA-N 2 1 221.308 0.521 20 0 BCADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)C[NH3+] ZINC000285860783 180243705 /nfs/dbraw/zinc/24/37/05/180243705.db2.gz YVUSHOIOROXHPG-VIFPVBQESA-N 2 1 224.308 0.293 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@H](C)[NH3+] ZINC000340182922 180264338 /nfs/dbraw/zinc/26/43/38/180264338.db2.gz FFQNQKDHDKEVLV-ZJUUUORDSA-N 2 1 238.335 0.681 20 0 BCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCC[NH3+] ZINC000237535210 180267259 /nfs/dbraw/zinc/26/72/59/180267259.db2.gz VYWMPHSEUSFHGL-JTQLQIEISA-N 2 1 238.335 0.683 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@@H](C)[NH3+] ZINC000340182919 180267315 /nfs/dbraw/zinc/26/73/15/180267315.db2.gz FFQNQKDHDKEVLV-NXEZZACHSA-N 2 1 238.335 0.681 20 0 BCADMP C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000084381679 538083777 /nfs/dbraw/zinc/08/37/77/538083777.db2.gz HMBGABXKCQEGGK-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP CCN1CCC([N@@H+](C)C[C@H](O)COC)CC1 ZINC000068891201 350300157 /nfs/dbraw/zinc/30/01/57/350300157.db2.gz SESXTEGKKVWRTF-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COC)CC1 ZINC000068891201 350300159 /nfs/dbraw/zinc/30/01/59/350300159.db2.gz SESXTEGKKVWRTF-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CN1CCCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000606370326 350318931 /nfs/dbraw/zinc/31/89/31/350318931.db2.gz RZOMHIRSUJFFKU-SECBINFHSA-N 2 1 222.292 0.510 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000309216431 323329600 /nfs/dbraw/zinc/32/96/00/323329600.db2.gz FPJLOSNCJZCFIT-SNVBAGLBSA-N 2 1 232.368 0.438 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)C[N@@H+](C)C(C)C ZINC000429141677 191097527 /nfs/dbraw/zinc/09/75/27/191097527.db2.gz LOKKNIXKDVPEQC-JTQLQIEISA-N 2 1 215.341 0.426 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328406414 350399873 /nfs/dbraw/zinc/39/98/73/350399873.db2.gz TUUZGRWQOKKHET-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000381023651 350497905 /nfs/dbraw/zinc/49/79/05/350497905.db2.gz XDCYDVQXFGSKQA-RYUDHWBXSA-N 2 1 244.404 0.927 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000381023651 350497910 /nfs/dbraw/zinc/49/79/10/350497910.db2.gz XDCYDVQXFGSKQA-RYUDHWBXSA-N 2 1 244.404 0.927 20 0 BCADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543902 362963815 /nfs/dbraw/zinc/96/38/15/362963815.db2.gz CHUYGSHZXVDION-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NC ZINC000623543902 362963823 /nfs/dbraw/zinc/96/38/23/362963823.db2.gz CHUYGSHZXVDION-WDEREUQCSA-N 2 1 241.379 0.973 20 0 BCADMP C[N@H+]1CCCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000444263557 191112627 /nfs/dbraw/zinc/11/26/27/191112627.db2.gz GWENDBMGTBHVAT-UHFFFAOYSA-N 2 1 237.303 0.516 20 0 BCADMP Cn1cncc1CSC[C@H]1C[N@H+](C)CCO1 ZINC000570964192 350668047 /nfs/dbraw/zinc/66/80/47/350668047.db2.gz HIKHIIBWPXZDPH-LLVKDONJSA-N 2 1 241.360 0.984 20 0 BCADMP Cn1cncc1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000570964192 350668048 /nfs/dbraw/zinc/66/80/48/350668048.db2.gz HIKHIIBWPXZDPH-LLVKDONJSA-N 2 1 241.360 0.984 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562033 362985850 /nfs/dbraw/zinc/98/58/50/362985850.db2.gz FOMPWXWTFANVHM-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617352529 350841246 /nfs/dbraw/zinc/84/12/46/350841246.db2.gz YNYHATMJPPZHGX-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617352529 350841250 /nfs/dbraw/zinc/84/12/50/350841250.db2.gz YNYHATMJPPZHGX-JTQLQIEISA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562033 362985843 /nfs/dbraw/zinc/98/58/43/362985843.db2.gz FOMPWXWTFANVHM-UWVGGRQHSA-N 2 1 225.336 0.337 20 0 BCADMP CO[C@@H]1CC[N@H+](CC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000252765041 350915578 /nfs/dbraw/zinc/91/55/78/350915578.db2.gz GHRCDYQKIINECV-JHJVBQTASA-N 2 1 242.363 0.994 20 0 BCADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000252765041 350915579 /nfs/dbraw/zinc/91/55/79/350915579.db2.gz GHRCDYQKIINECV-JHJVBQTASA-N 2 1 242.363 0.994 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[NH+](C)C ZINC000626364360 351007136 /nfs/dbraw/zinc/00/71/36/351007136.db2.gz CASVXITUTICTBL-UHFFFAOYSA-N 2 1 238.335 0.602 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382817951 351053303 /nfs/dbraw/zinc/05/33/03/351053303.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382817951 351053314 /nfs/dbraw/zinc/05/33/14/351053314.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382817951 351053318 /nfs/dbraw/zinc/05/33/18/351053318.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 2 1 232.368 0.390 20 0 BCADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382817953 351053438 /nfs/dbraw/zinc/05/34/38/351053438.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382817953 351053446 /nfs/dbraw/zinc/05/34/46/351053446.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382817953 351053450 /nfs/dbraw/zinc/05/34/50/351053450.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510957 351067052 /nfs/dbraw/zinc/06/70/52/351067052.db2.gz HWUWKFLGSUPHLN-AAEUAGOBSA-N 2 1 239.363 0.729 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520633 351071206 /nfs/dbraw/zinc/07/12/06/351071206.db2.gz ZVQJUSGUCPKEOZ-AAEUAGOBSA-N 2 1 239.363 0.587 20 0 BCADMP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC[C@@H]1CCCO1 ZINC000607357266 351331508 /nfs/dbraw/zinc/33/15/08/351331508.db2.gz WGOXRASBFUVZAE-XQQFMLRXSA-N 2 1 240.347 0.333 20 0 BCADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC[C@@H]1CCCO1 ZINC000607357266 351331511 /nfs/dbraw/zinc/33/15/11/351331511.db2.gz WGOXRASBFUVZAE-XQQFMLRXSA-N 2 1 240.347 0.333 20 0 BCADMP COCC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000380187348 351380816 /nfs/dbraw/zinc/38/08/16/351380816.db2.gz PLSPYENFXPVFQE-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000386750262 363038908 /nfs/dbraw/zinc/03/89/08/363038908.db2.gz GKJQLNWQGHLQBK-BETUJISGSA-N 2 1 234.347 0.651 20 0 BCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000386750262 363038913 /nfs/dbraw/zinc/03/89/13/363038913.db2.gz GKJQLNWQGHLQBK-BETUJISGSA-N 2 1 234.347 0.651 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@H](O)CN(C)CC ZINC000393342413 363063834 /nfs/dbraw/zinc/06/38/34/363063834.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)N(C)C[C@H](O)C[N@H+](C)CC ZINC000393342413 363063836 /nfs/dbraw/zinc/06/38/36/363063836.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000393342413 363063839 /nfs/dbraw/zinc/06/38/39/363063839.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000393342413 363063841 /nfs/dbraw/zinc/06/38/41/363063841.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000393342413 363063845 /nfs/dbraw/zinc/06/38/45/363063845.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000393342413 363063847 /nfs/dbraw/zinc/06/38/47/363063847.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000393342413 363063851 /nfs/dbraw/zinc/06/38/51/363063851.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 1 218.341 0.002 20 0 BCADMP CCN(CC[NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000626969796 363070548 /nfs/dbraw/zinc/07/05/48/363070548.db2.gz GRWZUSWZSSGONX-SNVBAGLBSA-N 2 1 242.367 0.459 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH3+])CC1 ZINC000637803738 351639628 /nfs/dbraw/zinc/63/96/28/351639628.db2.gz HOSMLVWTVAHTHT-UHFFFAOYSA-N 2 1 236.319 0.389 20 0 BCADMP CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC000637809463 351646080 /nfs/dbraw/zinc/64/60/80/351646080.db2.gz RJGCQLKXONUQCV-UHFFFAOYSA-N 2 1 224.308 0.307 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637815504 351654975 /nfs/dbraw/zinc/65/49/75/351654975.db2.gz HKTAZMCGTRLJEN-LLVKDONJSA-N 2 1 236.319 0.450 20 0 BCADMP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637816582 351656549 /nfs/dbraw/zinc/65/65/49/351656549.db2.gz JOMJPRPGYCLRER-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP CCC(CC)(C[NH3+])NC(=O)Cn1cc[nH+]c1C ZINC000637839751 351690470 /nfs/dbraw/zinc/69/04/70/351690470.db2.gz AYKSOVUDVPTXQS-UHFFFAOYSA-N 2 1 238.335 0.825 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000637837510 351691029 /nfs/dbraw/zinc/69/10/29/351691029.db2.gz HTZDCFNQDHAOHI-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637840168 351694438 /nfs/dbraw/zinc/69/44/38/351694438.db2.gz DQFHDMGGFRTVOP-WCQYABFASA-N 2 1 239.363 0.714 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC1(C[NH3+])CCCC1 ZINC000637841167 351697297 /nfs/dbraw/zinc/69/72/97/351697297.db2.gz RJGPCSSDQYDMDY-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637844438 351700171 /nfs/dbraw/zinc/70/01/71/351700171.db2.gz NXGFWGHXMJLAAX-NEPJUHHUSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637847748 351703757 /nfs/dbraw/zinc/70/37/57/351703757.db2.gz CLAKEUVVXSGXPF-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000637823658 351669115 /nfs/dbraw/zinc/66/91/15/351669115.db2.gz SLNIMTNGATYGLH-QWRGUYRKSA-N 2 1 225.336 0.135 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852673 351712280 /nfs/dbraw/zinc/71/22/80/351712280.db2.gz WWDIXKSLMADQCF-LBPRGKRZSA-N 2 1 238.335 0.681 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000638047437 351926726 /nfs/dbraw/zinc/92/67/26/351926726.db2.gz HNNXLYMZAPJZRO-WDEREUQCSA-N 2 1 227.352 0.585 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000638069353 351941710 /nfs/dbraw/zinc/94/17/10/351941710.db2.gz JMNCTBKFKPFMIA-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000638069835 351941756 /nfs/dbraw/zinc/94/17/56/351941756.db2.gz UNPXBTTXDNJENM-SNVBAGLBSA-N 2 1 245.392 0.149 20 0 BCADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072231 351944736 /nfs/dbraw/zinc/94/47/36/351944736.db2.gz KZRPSAOEYDVWBZ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638072743 351945399 /nfs/dbraw/zinc/94/53/99/351945399.db2.gz VIXXCRSHQTXGRM-NWDGAFQWSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)C[NH3+] ZINC000638146371 352007211 /nfs/dbraw/zinc/00/72/11/352007211.db2.gz SVUDNKQNFBKBDP-SNVBAGLBSA-N 2 1 238.335 0.718 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638145226 352008254 /nfs/dbraw/zinc/00/82/54/352008254.db2.gz QAGITPPZBRYFNA-SNVBAGLBSA-N 2 1 229.368 0.675 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638148469 352009647 /nfs/dbraw/zinc/00/96/47/352009647.db2.gz MEYAAPVZFOXCKX-ONGXEEELSA-N 2 1 236.319 0.387 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000638080103 351953536 /nfs/dbraw/zinc/95/35/36/351953536.db2.gz YOXJDFZSBDUCSW-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000638085460 351961977 /nfs/dbraw/zinc/96/19/77/351961977.db2.gz ZXMPSVXAYJREBN-VIFPVBQESA-N 2 1 213.325 0.195 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638102439 351981513 /nfs/dbraw/zinc/98/15/13/351981513.db2.gz UYTBKWRDMXADSJ-LLVKDONJSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638127664 351998810 /nfs/dbraw/zinc/99/88/10/351998810.db2.gz XEVBAFJIMOLIGD-ZYHUDNBSSA-N 2 1 237.347 0.492 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000638136487 352002724 /nfs/dbraw/zinc/00/27/24/352002724.db2.gz ZAAMHXHESUZDNB-USWWRNFRSA-N 2 1 249.358 0.775 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000638136488 352002822 /nfs/dbraw/zinc/00/28/22/352002822.db2.gz ZAAMHXHESUZDNB-YUSALJHKSA-N 2 1 249.358 0.775 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134477 352003025 /nfs/dbraw/zinc/00/30/25/352003025.db2.gz NODKZHRWUAEHRF-SUZMYJTESA-N 2 1 249.358 0.633 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638176839 352042953 /nfs/dbraw/zinc/04/29/53/352042953.db2.gz GIHAZFCKDOPUFG-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP C(C[C@@H]1CCO1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186105 352051065 /nfs/dbraw/zinc/05/10/65/352051065.db2.gz LGHFWJYIULMBPQ-GRYCIOLGSA-N 2 1 210.321 0.707 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638200290 352060642 /nfs/dbraw/zinc/06/06/42/352060642.db2.gz HNYSYRNWSQDAFF-GXSJLCMTSA-N 2 1 236.319 0.306 20 0 BCADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638201034 352061714 /nfs/dbraw/zinc/06/17/14/352061714.db2.gz ACTGEQGJINVTAA-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638198664 352062121 /nfs/dbraw/zinc/06/21/21/352062121.db2.gz KZAFZQXTMCQSIA-RYUDHWBXSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000638205562 352067601 /nfs/dbraw/zinc/06/76/01/352067601.db2.gz ICBXLFZGVMBGQM-WDEREUQCSA-N 2 1 236.319 0.400 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH3+] ZINC000638210196 352072674 /nfs/dbraw/zinc/07/26/74/352072674.db2.gz FORKCEAHEWEEQS-VIFPVBQESA-N 2 1 224.308 0.470 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638152758 352016741 /nfs/dbraw/zinc/01/67/41/352016741.db2.gz MAFFCKMTNDJKBP-SNVBAGLBSA-N 2 1 222.292 0.045 20 0 BCADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000638152757 352016946 /nfs/dbraw/zinc/01/69/46/352016946.db2.gz MAFFCKMTNDJKBP-JTQLQIEISA-N 2 1 222.292 0.045 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH3+])CC[N@H+]1C ZINC000638153095 352017213 /nfs/dbraw/zinc/01/72/13/352017213.db2.gz BYNVNYBASCGQNA-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000638155677 352018217 /nfs/dbraw/zinc/01/82/17/352018217.db2.gz FTRFESADJYTGIS-KOLCDFICSA-N 2 1 236.319 0.400 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638156317 352019873 /nfs/dbraw/zinc/01/98/73/352019873.db2.gz NJGCCWOZRMJORM-UWVGGRQHSA-N 2 1 213.325 0.324 20 0 BCADMP C[N@@H+](CC(=O)NCC1([NH3+])CCC1)CC(C)(C)C ZINC000638162289 352026522 /nfs/dbraw/zinc/02/65/22/352026522.db2.gz OZIYWBIRXCAQFF-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH+](C)CC1(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000638175241 352041279 /nfs/dbraw/zinc/04/12/79/352041279.db2.gz ZDVGMXLNCXEEHG-UHFFFAOYSA-N 2 1 235.278 0.038 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1C ZINC000638175142 352041614 /nfs/dbraw/zinc/04/16/14/352041614.db2.gz WQWZKUSUZSXFII-DTWKUNHWSA-N 2 1 249.305 0.427 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1C ZINC000638175142 352041617 /nfs/dbraw/zinc/04/16/17/352041617.db2.gz WQWZKUSUZSXFII-DTWKUNHWSA-N 2 1 249.305 0.427 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638247986 352094076 /nfs/dbraw/zinc/09/40/76/352094076.db2.gz RFAHPHBKVVMIMA-NWDGAFQWSA-N 2 1 248.330 0.402 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCC[NH3+] ZINC000638252319 352095988 /nfs/dbraw/zinc/09/59/88/352095988.db2.gz RRIMEKNBZPBGRX-VIFPVBQESA-N 2 1 224.308 0.435 20 0 BCADMP CC[C@@H]([NH3+])CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638254026 352097082 /nfs/dbraw/zinc/09/70/82/352097082.db2.gz FEBRLAJPVDLNQV-NXEZZACHSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638257352 352100674 /nfs/dbraw/zinc/10/06/74/352100674.db2.gz VDACOPLLZNTEQE-UWVGGRQHSA-N 2 1 238.335 0.858 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638259756 352102859 /nfs/dbraw/zinc/10/28/59/352102859.db2.gz SOEHFDSMMZNANM-DTWKUNHWSA-N 2 1 249.305 0.427 20 0 BCADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)[NH3+] ZINC000638256103 352103083 /nfs/dbraw/zinc/10/30/83/352103083.db2.gz NPUDMDVBJXEVAU-AEJSXWLSSA-N 2 1 213.325 0.180 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270285 352107166 /nfs/dbraw/zinc/10/71/66/352107166.db2.gz GCSFQRJHHDTGLR-JTQLQIEISA-N 2 1 236.319 0.448 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638269955 352107486 /nfs/dbraw/zinc/10/74/86/352107486.db2.gz VTYPRJIIXMOKOD-GHMZBOCLSA-N 2 1 236.319 0.435 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000638270858 352109197 /nfs/dbraw/zinc/10/91/97/352109197.db2.gz NKZKIQVMRUMPIY-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncnn1C ZINC000638336122 352154273 /nfs/dbraw/zinc/15/42/73/352154273.db2.gz YWPMHHXDDCOSNQ-SNVBAGLBSA-N 2 1 248.334 0.746 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336309 352154924 /nfs/dbraw/zinc/15/49/24/352154924.db2.gz SBEFOKATRDSJBT-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH3+] ZINC000638344001 352162912 /nfs/dbraw/zinc/16/29/12/352162912.db2.gz QYLMVYWJJTUJOC-UHFFFAOYSA-N 2 1 224.308 0.424 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000638364993 352175345 /nfs/dbraw/zinc/17/53/45/352175345.db2.gz UXUWKXVXBXJDGS-QJPTWQEYSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638368717 352178175 /nfs/dbraw/zinc/17/81/75/352178175.db2.gz MJLMINFMSQZBGK-DCAQKATOSA-N 2 1 227.352 0.713 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000638313324 352140130 /nfs/dbraw/zinc/14/01/30/352140130.db2.gz UAEZXTVRPIBFLO-RAIGVLPGSA-N 2 1 249.358 0.587 20 0 BCADMP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000638331004 352149144 /nfs/dbraw/zinc/14/91/44/352149144.db2.gz ZHNCSWBPFNHRMB-JQWIXIFHSA-N 2 1 248.330 0.292 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638433171 352242196 /nfs/dbraw/zinc/24/21/96/352242196.db2.gz QYPUZAGVHQROBH-ZJUUUORDSA-N 2 1 213.325 0.052 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638396534 352203551 /nfs/dbraw/zinc/20/35/51/352203551.db2.gz KXHOIUDLNSKDJJ-SRVKXCTJSA-N 2 1 239.363 0.809 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638395907 352203622 /nfs/dbraw/zinc/20/36/22/352203622.db2.gz FVSOOULHGAGDED-KOLCDFICSA-N 2 1 236.319 0.530 20 0 BCADMP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638401150 352206780 /nfs/dbraw/zinc/20/67/80/352206780.db2.gz PHUOUVXHQFNHRB-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404332 352210366 /nfs/dbraw/zinc/21/03/66/352210366.db2.gz ALASKKZUDHIDAL-GHMZBOCLSA-N 2 1 241.379 0.973 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404334 352210680 /nfs/dbraw/zinc/21/06/80/352210680.db2.gz ALASKKZUDHIDAL-QWRGUYRKSA-N 2 1 241.379 0.973 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638404333 352210740 /nfs/dbraw/zinc/21/07/40/352210740.db2.gz ALASKKZUDHIDAL-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000638408477 352214729 /nfs/dbraw/zinc/21/47/29/352214729.db2.gz BOHCFGKKIBXZRR-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC1([NH3+])CCCC1 ZINC000638410229 352218032 /nfs/dbraw/zinc/21/80/32/352218032.db2.gz XLRSANKCQOZMCU-UHFFFAOYSA-N 2 1 236.319 0.579 20 0 BCADMP C[N@H+]1CC[C@@H](CC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417711 352227402 /nfs/dbraw/zinc/22/74/02/352227402.db2.gz JIYKYYMQNGYSFZ-ZBOXLXRLSA-N 2 1 237.347 0.278 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426073 352234137 /nfs/dbraw/zinc/23/41/37/352234137.db2.gz NOPFMIPZHKPJAG-AKJDGMEZSA-N 2 1 237.347 0.339 20 0 BCADMP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[NH2+]C1 ZINC000638439387 352248942 /nfs/dbraw/zinc/24/89/42/352248942.db2.gz HPWSYRVUXJETDJ-LNLATYFQSA-N 2 1 234.303 0.381 20 0 BCADMP C[NH2+]CCOCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000638591037 352422464 /nfs/dbraw/zinc/42/24/64/352422464.db2.gz AJHUOAWXGSWYPG-UHFFFAOYSA-N 2 1 245.367 0.021 20 0 BCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[N@H+]1C ZINC000638650800 352492673 /nfs/dbraw/zinc/49/26/73/352492673.db2.gz MTLQENQJZNUQAP-DDHJBXDOSA-N 2 1 239.363 0.583 20 0 BCADMP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000638643438 352487461 /nfs/dbraw/zinc/48/74/61/352487461.db2.gz BSRFFITUOMFJRH-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000415006121 352498808 /nfs/dbraw/zinc/49/88/08/352498808.db2.gz PVOZPGIKFXOWLW-QJPTWQEYSA-N 3 1 211.353 0.846 20 0 BCADMP C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334185709 352774817 /nfs/dbraw/zinc/77/48/17/352774817.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334185709 352774819 /nfs/dbraw/zinc/77/48/19/352774819.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334185709 352774820 /nfs/dbraw/zinc/77/48/20/352774820.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000054133498 187829288 /nfs/dbraw/zinc/82/92/88/187829288.db2.gz WEZYDCKFKQEIIU-SNVBAGLBSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)C(N)=O ZINC000342866346 352882751 /nfs/dbraw/zinc/88/27/51/352882751.db2.gz ZUTOHGKOAKNTBH-GFCCVEGCSA-N 2 1 238.335 0.825 20 0 BCADMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000091996230 538105775 /nfs/dbraw/zinc/10/57/75/538105775.db2.gz BLMXAJHMYQDFCR-GHMZBOCLSA-N 2 1 233.315 0.747 20 0 BCADMP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000638818921 352999494 /nfs/dbraw/zinc/99/94/94/352999494.db2.gz FWOLKIBAYGIZRV-UWVGGRQHSA-N 2 1 243.376 0.379 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914140 353072633 /nfs/dbraw/zinc/07/26/33/353072633.db2.gz MWSAOQRYPWSIAK-GARJFASQSA-N 2 1 223.320 0.043 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638933261 353095601 /nfs/dbraw/zinc/09/56/01/353095601.db2.gz YAJZRHXOQNYTAL-MXWKQRLJSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000638933905 353096722 /nfs/dbraw/zinc/09/67/22/353096722.db2.gz DAOIVDIDEZSJAU-KXNHARMFSA-N 2 1 239.363 0.807 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638934483 353098290 /nfs/dbraw/zinc/09/82/90/353098290.db2.gz IKKFLOAIISIXFJ-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357085247 188065762 /nfs/dbraw/zinc/06/57/62/188065762.db2.gz QSDOPTAHTJIPEU-ZDUSSCGKSA-N 2 1 242.363 0.854 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000357105923 188066287 /nfs/dbraw/zinc/06/62/87/188066287.db2.gz OSFTYMZQWLLFEA-LBPRGKRZSA-N 2 1 238.335 0.912 20 0 BCADMP CC(C)([NH3+])CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335284617 535202433 /nfs/dbraw/zinc/20/24/33/535202433.db2.gz GDMSKORZMOFGNJ-JTQLQIEISA-N 2 1 240.351 0.213 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000358284175 188067488 /nfs/dbraw/zinc/06/74/88/188067488.db2.gz FFPKTICXIVOAAY-UHTWSYAYSA-N 2 1 239.363 0.680 20 0 BCADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000358284175 188067489 /nfs/dbraw/zinc/06/74/89/188067489.db2.gz FFPKTICXIVOAAY-UHTWSYAYSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359304424 188068039 /nfs/dbraw/zinc/06/80/39/188068039.db2.gz KMGRPDQZIQRSRJ-SDDRHHMPSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359304424 188068041 /nfs/dbraw/zinc/06/80/41/188068041.db2.gz KMGRPDQZIQRSRJ-SDDRHHMPSA-N 2 1 239.363 0.393 20 0 BCADMP CC(C)([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368564181 188073880 /nfs/dbraw/zinc/07/38/80/188073880.db2.gz XTZDHZKKBZQCHQ-SSDOTTSWSA-N 2 1 235.278 0.179 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484908 188082714 /nfs/dbraw/zinc/08/27/14/188082714.db2.gz ZUKCLACBZNMPEL-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484909 188083378 /nfs/dbraw/zinc/08/33/78/188083378.db2.gz ZUKCLACBZNMPEL-WDEREUQCSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000309079952 188165986 /nfs/dbraw/zinc/16/59/86/188165986.db2.gz OECRIKOARXWLPL-SNVBAGLBSA-N 2 1 215.341 0.570 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000070074111 353253505 /nfs/dbraw/zinc/25/35/05/353253505.db2.gz ANNRXCXAEXSQAJ-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000128290180 188220980 /nfs/dbraw/zinc/22/09/80/188220980.db2.gz WFLKKKJHFAYEMH-GXSJLCMTSA-N 2 1 222.336 0.898 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000250094969 353267447 /nfs/dbraw/zinc/26/74/47/353267447.db2.gz XQFSPHINTJASGN-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352711300 188232332 /nfs/dbraw/zinc/23/23/32/188232332.db2.gz AKEYFXSZXCYMQK-NSHDSACASA-N 2 1 244.383 0.576 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030010 353292111 /nfs/dbraw/zinc/29/21/11/353292111.db2.gz NNJUQEILKKGSOB-XYPYZODXSA-N 2 1 236.319 0.578 20 0 BCADMP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000252841690 353312190 /nfs/dbraw/zinc/31/21/90/353312190.db2.gz APCRVSADWOGUKO-QNWHQSFQSA-N 2 1 224.348 0.689 20 0 BCADMP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+](C)CC1 ZINC000037782259 358478313 /nfs/dbraw/zinc/47/83/13/358478313.db2.gz AMXCYAAXWAIFBD-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP CO[C@](C)(C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000639048909 353343328 /nfs/dbraw/zinc/34/33/28/353343328.db2.gz CJZAWRXCTRVCJX-CHWSQXEVSA-N 2 1 242.363 0.458 20 0 BCADMP CO[C@](C)(C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000639048909 353343330 /nfs/dbraw/zinc/34/33/30/353343330.db2.gz CJZAWRXCTRVCJX-CHWSQXEVSA-N 2 1 242.363 0.458 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055086486 353346104 /nfs/dbraw/zinc/34/61/04/353346104.db2.gz NKMWOPPKMHIOCY-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049152 353347714 /nfs/dbraw/zinc/34/77/14/353347714.db2.gz JDZIXBQIWPAULH-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP CC[C@@](C)(C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049152 353347715 /nfs/dbraw/zinc/34/77/15/353347715.db2.gz JDZIXBQIWPAULH-NWDGAFQWSA-N 2 1 230.352 0.458 20 0 BCADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CSC[NH2+]1 ZINC000132019024 353374630 /nfs/dbraw/zinc/37/46/30/353374630.db2.gz LSLLVMLZUORYML-BDAKNGLRSA-N 2 1 231.365 0.283 20 0 BCADMP c1cn(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283253 538116448 /nfs/dbraw/zinc/11/64/48/538116448.db2.gz FZNNXRSMZWIPIG-TXEJJXNPSA-N 2 1 220.320 0.424 20 0 BCADMP CC1(C)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000094803547 353521764 /nfs/dbraw/zinc/52/17/64/353521764.db2.gz QWQQKDIEUIMZCA-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192120239 353544030 /nfs/dbraw/zinc/54/40/30/353544030.db2.gz KSANWLZMZJMFJR-GHMZBOCLSA-N 2 1 245.367 0.054 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192121868 353544165 /nfs/dbraw/zinc/54/41/65/353544165.db2.gz RFFKIWUPCLCCGI-WDEREUQCSA-N 2 1 229.368 0.818 20 0 BCADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000193298977 353589135 /nfs/dbraw/zinc/58/91/35/353589135.db2.gz MOWZMTUENHNZKD-NWDGAFQWSA-N 2 1 241.379 0.962 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCSCC1 ZINC000577878614 366095247 /nfs/dbraw/zinc/09/52/47/366095247.db2.gz PWDPGFWDEIOYBT-SECBINFHSA-N 2 1 204.339 0.006 20 0 BCADMP C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000195161360 353729919 /nfs/dbraw/zinc/72/99/19/353729919.db2.gz LKXQVZZCFGWZCB-NEPJUHHUSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847051 353780610 /nfs/dbraw/zinc/78/06/10/353780610.db2.gz BZKFLIWRZAZGSG-YEJSDXFRSA-N 2 1 212.337 0.972 20 0 BCADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000353811798 353741917 /nfs/dbraw/zinc/74/19/17/353741917.db2.gz FBUDNHAGPKEZOS-WDEREUQCSA-N 2 1 236.319 0.660 20 0 BCADMP CC(C)[N@H+](C)CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000229204265 188514106 /nfs/dbraw/zinc/51/41/06/188514106.db2.gz BDTXXNBFRRMVKL-STQMWFEESA-N 2 1 243.395 0.683 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220087572 353816558 /nfs/dbraw/zinc/81/65/58/353816558.db2.gz XHCJYEMXDPKYJV-QWRGUYRKSA-N 2 1 241.379 0.688 20 0 BCADMP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000343454333 353894278 /nfs/dbraw/zinc/89/42/78/353894278.db2.gz UKCVONJLOHOZQH-NDBYEHHHSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1C[C@@H](O)C[NH+]1CCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000343454332 353894478 /nfs/dbraw/zinc/89/44/78/353894478.db2.gz UKCVONJLOHOZQH-LPWJVIDDSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587633 354213516 /nfs/dbraw/zinc/21/35/16/354213516.db2.gz YBOOIXLJDBRRSY-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1C[C@@H](CN2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587633 354213517 /nfs/dbraw/zinc/21/35/17/354213517.db2.gz YBOOIXLJDBRRSY-NEPJUHHUSA-N 2 1 211.353 0.670 20 0 BCADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588779 354216032 /nfs/dbraw/zinc/21/60/32/354216032.db2.gz XKCRJJJICXLCLX-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588779 354216036 /nfs/dbraw/zinc/21/60/36/354216036.db2.gz XKCRJJJICXLCLX-RYUDHWBXSA-N 3 1 211.353 0.799 20 0 BCADMP CN(C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344625077 354328870 /nfs/dbraw/zinc/32/88/70/354328870.db2.gz WEUVQZIMRLGNNN-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[NH+](C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344625077 354328875 /nfs/dbraw/zinc/32/88/75/354328875.db2.gz WEUVQZIMRLGNNN-NSHDSACASA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000345015520 354394771 /nfs/dbraw/zinc/39/47/71/354394771.db2.gz SKRGICDIDNDVGY-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000345015520 354394775 /nfs/dbraw/zinc/39/47/75/354394775.db2.gz SKRGICDIDNDVGY-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCC[NH+]1C ZINC000345015520 354394778 /nfs/dbraw/zinc/39/47/78/354394778.db2.gz SKRGICDIDNDVGY-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCC[NH+]1C ZINC000345015520 354394782 /nfs/dbraw/zinc/39/47/82/354394782.db2.gz SKRGICDIDNDVGY-GRYCIOLGSA-N 2 1 239.363 0.680 20 0 BCADMP COCCC[N@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000344776248 354362780 /nfs/dbraw/zinc/36/27/80/354362780.db2.gz PCOYHUPVILDMMC-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000344776248 354362784 /nfs/dbraw/zinc/36/27/84/354362784.db2.gz PCOYHUPVILDMMC-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000344776248 354362789 /nfs/dbraw/zinc/36/27/89/354362789.db2.gz PCOYHUPVILDMMC-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP COCCC[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000344776248 354362792 /nfs/dbraw/zinc/36/27/92/354362792.db2.gz PCOYHUPVILDMMC-OLZOCXBDSA-N 2 1 243.395 0.494 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000578013525 366180394 /nfs/dbraw/zinc/18/03/94/366180394.db2.gz RJWSQKWNLQNJHU-QWHCGFSZSA-N 2 1 241.379 0.378 20 0 BCADMP CC[N@@H+](CC(=O)NCCC[NH+](C)C)C1CC1 ZINC000179038839 366200621 /nfs/dbraw/zinc/20/06/21/366200621.db2.gz OYMJGTAZIYUWDT-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CN(C(=O)C1([NH3+])CCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000334662389 354462699 /nfs/dbraw/zinc/46/26/99/354462699.db2.gz OCCJQTWPOZXLKZ-NSHDSACASA-N 2 1 237.347 0.563 20 0 BCADMP CN(C(=O)C1([NH3+])CCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334662388 354462848 /nfs/dbraw/zinc/46/28/48/354462848.db2.gz OCCJQTWPOZXLKZ-LLVKDONJSA-N 2 1 237.347 0.563 20 0 BCADMP O=C1C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCCN1 ZINC000639191378 354509067 /nfs/dbraw/zinc/50/90/67/354509067.db2.gz ITYXYCIOORCTDZ-NXEZZACHSA-N 2 1 248.330 0.525 20 0 BCADMP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC[NH2+]CC1 ZINC000335107008 354692271 /nfs/dbraw/zinc/69/22/71/354692271.db2.gz FZQQHPMFHXNTRH-SECBINFHSA-N 2 1 247.289 0.053 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345709070 354755712 /nfs/dbraw/zinc/75/57/12/354755712.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CN(C)C(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345709070 354755713 /nfs/dbraw/zinc/75/57/13/354755713.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CN(C)C(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345709070 354755714 /nfs/dbraw/zinc/75/57/14/354755714.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232689071 363380176 /nfs/dbraw/zinc/38/01/76/363380176.db2.gz IHLXFKQPXKJQEU-TXEJJXNPSA-N 2 1 212.337 0.810 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639217194 354867612 /nfs/dbraw/zinc/86/76/12/354867612.db2.gz QVDQJTDIUHZZCX-JHJVBQTASA-N 2 1 244.379 0.846 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141773 354871180 /nfs/dbraw/zinc/87/11/80/354871180.db2.gz RJYATBBAACWZIA-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750952 202020625 /nfs/dbraw/zinc/02/06/25/202020625.db2.gz KIDIEYJJHBGPEF-WYUUTHIRSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000346657045 355004700 /nfs/dbraw/zinc/00/47/00/355004700.db2.gz SWWUXSIGTQZHCS-MNOVXSKESA-N 2 1 245.330 0.898 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000346657045 355004704 /nfs/dbraw/zinc/00/47/04/355004704.db2.gz SWWUXSIGTQZHCS-MNOVXSKESA-N 2 1 245.330 0.898 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639321 355015523 /nfs/dbraw/zinc/01/55/23/355015523.db2.gz JWZMVFGSYZHFGH-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639321 355015525 /nfs/dbraw/zinc/01/55/25/355015525.db2.gz JWZMVFGSYZHFGH-WDEREUQCSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639318 355015628 /nfs/dbraw/zinc/01/56/28/355015628.db2.gz JWZMVFGSYZHFGH-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000346639318 355015629 /nfs/dbraw/zinc/01/56/29/355015629.db2.gz JWZMVFGSYZHFGH-QWRGUYRKSA-N 2 1 249.362 0.712 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000335228098 355070212 /nfs/dbraw/zinc/07/02/12/355070212.db2.gz JCZBBWRZUGMKOQ-WPRPVWTQSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc2cnccn12 ZINC000346694907 355076991 /nfs/dbraw/zinc/07/69/91/355076991.db2.gz XFEJJDRHROGSPF-GHMZBOCLSA-N 2 1 245.330 0.898 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2cnccn12 ZINC000346694907 355076993 /nfs/dbraw/zinc/07/69/93/355076993.db2.gz XFEJJDRHROGSPF-GHMZBOCLSA-N 2 1 245.330 0.898 20 0 BCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC000335217906 355056372 /nfs/dbraw/zinc/05/63/72/355056372.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335217906 355056374 /nfs/dbraw/zinc/05/63/74/355056374.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335217906 355056375 /nfs/dbraw/zinc/05/63/75/355056375.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000335220606 355061129 /nfs/dbraw/zinc/06/11/29/355061129.db2.gz OVGACNVIUNBGTK-VIFPVBQESA-N 2 1 219.288 0.470 20 0 BCADMP O[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335247992 355164542 /nfs/dbraw/zinc/16/45/42/355164542.db2.gz GWEPNIAIVQSZQA-VXGBXAGGSA-N 2 1 210.321 0.726 20 0 BCADMP c1ncn([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825737 355126719 /nfs/dbraw/zinc/12/67/19/355126719.db2.gz LKDQNMDYZUSJGR-STQMWFEESA-N 2 1 249.362 0.915 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000346831269 355128540 /nfs/dbraw/zinc/12/85/40/355128540.db2.gz KISPVCXGFFORLG-LLVKDONJSA-N 2 1 226.320 0.481 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000346836746 355131581 /nfs/dbraw/zinc/13/15/81/355131581.db2.gz VGIRPMFBRIONLF-ADEWGFFLSA-N 2 1 220.320 0.969 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC000346836746 355131583 /nfs/dbraw/zinc/13/15/83/355131583.db2.gz VGIRPMFBRIONLF-ADEWGFFLSA-N 2 1 220.320 0.969 20 0 BCADMP CN(C)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134221 /nfs/dbraw/zinc/13/42/21/355134221.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 2 1 241.379 0.248 20 0 BCADMP CN(C)C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134223 /nfs/dbraw/zinc/13/42/23/355134223.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 2 1 241.379 0.248 20 0 BCADMP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000346844845 355135710 /nfs/dbraw/zinc/13/57/10/355135710.db2.gz LWQDZXSZQVDQOW-NEPJUHHUSA-N 2 1 243.395 0.501 20 0 BCADMP C[C@@H](O)C[N@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346848362 355136868 /nfs/dbraw/zinc/13/68/68/355136868.db2.gz QEKDCJGSPKVHKE-WDEREUQCSA-N 2 1 229.368 0.111 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346850251 355137458 /nfs/dbraw/zinc/13/74/58/355137458.db2.gz PUJYHNBPWYFGTG-VXGBXAGGSA-N 2 1 239.363 0.716 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346850241 355137878 /nfs/dbraw/zinc/13/78/78/355137878.db2.gz PUJYHNBPWYFGTG-NWDGAFQWSA-N 2 1 239.363 0.716 20 0 BCADMP COCCOC[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346970823 355207693 /nfs/dbraw/zinc/20/76/93/355207693.db2.gz GGGUXUVCPDONRD-NSHDSACASA-N 2 1 230.352 0.709 20 0 BCADMP CCCCC[N@@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000347000044 355196875 /nfs/dbraw/zinc/19/68/75/355196875.db2.gz YGYFPJPAHCXKHX-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CCCCC[N@H+](CC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000347000044 355196877 /nfs/dbraw/zinc/19/68/77/355196877.db2.gz YGYFPJPAHCXKHX-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002294 355200831 /nfs/dbraw/zinc/20/08/31/355200831.db2.gz ITEJVSYYUJIXGT-NWDGAFQWSA-N 2 1 239.363 0.573 20 0 BCADMP CN(C)C(=O)NCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347007577 355202360 /nfs/dbraw/zinc/20/23/60/355202360.db2.gz QWEGZTWQTREZGK-NSHDSACASA-N 2 1 242.367 0.189 20 0 BCADMP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000347007577 355202362 /nfs/dbraw/zinc/20/23/62/355202362.db2.gz QWEGZTWQTREZGK-NSHDSACASA-N 2 1 242.367 0.189 20 0 BCADMP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c[nH]1 ZINC000347014250 355204285 /nfs/dbraw/zinc/20/42/85/355204285.db2.gz IJUVMRGVHAUYTE-SECBINFHSA-N 2 1 237.303 0.582 20 0 BCADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c[nH]1 ZINC000347014250 355204287 /nfs/dbraw/zinc/20/42/87/355204287.db2.gz IJUVMRGVHAUYTE-SECBINFHSA-N 2 1 237.303 0.582 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000347685309 355269399 /nfs/dbraw/zinc/26/93/99/355269399.db2.gz LCBCJRUMEVTCLL-LPEHRKFASA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335288091 355258172 /nfs/dbraw/zinc/25/81/72/355258172.db2.gz LAGCQBROKFVYKJ-MNOVXSKESA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335288090 355258235 /nfs/dbraw/zinc/25/82/35/355258235.db2.gz LAGCQBROKFVYKJ-GHMZBOCLSA-N 2 1 242.367 0.459 20 0 BCADMP Cn1ncnc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000639256847 355301233 /nfs/dbraw/zinc/30/12/33/355301233.db2.gz GJGIBTWPYDUJRR-LLVKDONJSA-N 2 1 237.351 0.637 20 0 BCADMP NC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000071520836 181189297 /nfs/dbraw/zinc/18/92/97/181189297.db2.gz IQUJEJAKSOMBMK-UHFFFAOYSA-N 2 1 218.304 0.528 20 0 BCADMP NC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000071520836 181189298 /nfs/dbraw/zinc/18/92/98/181189298.db2.gz IQUJEJAKSOMBMK-UHFFFAOYSA-N 2 1 218.304 0.528 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794759 355450294 /nfs/dbraw/zinc/45/02/94/355450294.db2.gz MYOCHWSGIYFQNJ-UONOGXRCSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794759 355450299 /nfs/dbraw/zinc/45/02/99/355450299.db2.gz MYOCHWSGIYFQNJ-UONOGXRCSA-N 2 1 237.391 0.917 20 0 BCADMP COCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414742992 191559627 /nfs/dbraw/zinc/55/96/27/191559627.db2.gz GUOSIPNSVBUAAF-CHWSQXEVSA-N 2 1 244.379 0.705 20 0 BCADMP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000380314251 355703383 /nfs/dbraw/zinc/70/33/83/355703383.db2.gz IGSZBRODQJTBLU-WOPDTQHZSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000380314251 355703387 /nfs/dbraw/zinc/70/33/87/355703387.db2.gz IGSZBRODQJTBLU-WOPDTQHZSA-N 2 1 213.369 0.866 20 0 BCADMP CC(C)NC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335890458 355683502 /nfs/dbraw/zinc/68/35/02/355683502.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 1 239.363 0.539 20 0 BCADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000425337680 191810787 /nfs/dbraw/zinc/81/07/87/191810787.db2.gz NJTJJJRSMYPEKA-AXFHLTTASA-N 2 1 230.377 0.537 20 0 BCADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000425337680 191810789 /nfs/dbraw/zinc/81/07/89/191810789.db2.gz NJTJJJRSMYPEKA-AXFHLTTASA-N 2 1 230.377 0.537 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417443969 191842723 /nfs/dbraw/zinc/84/27/23/191842723.db2.gz BMBJOYOOTNGKMX-VHSXEESVSA-N 2 1 230.356 0.363 20 0 BCADMP CCn1cncc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000628368020 355862332 /nfs/dbraw/zinc/86/23/32/355862332.db2.gz HGAOIPCHFUXEPU-GFCCVEGCSA-N 2 1 239.319 0.486 20 0 BCADMP C[N@H+]1CC[C@@H]([NH+](CCO)CCO)CC1(C)C ZINC000628370598 355883374 /nfs/dbraw/zinc/88/33/74/355883374.db2.gz MQRVWEIAYHBHGJ-LLVKDONJSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H]1OCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309065385 355990209 /nfs/dbraw/zinc/99/02/09/355990209.db2.gz YZSLUHBCCMNKLX-GXSJLCMTSA-N 2 1 209.293 0.730 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000167322065 355991035 /nfs/dbraw/zinc/99/10/35/355991035.db2.gz CBBGEVOFXZLBPX-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000167199976 355969511 /nfs/dbraw/zinc/96/95/11/355969511.db2.gz VAPZJBPQGBBNLQ-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP [NH3+]Cc1noc([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000584350400 356064489 /nfs/dbraw/zinc/06/44/89/356064489.db2.gz HWQPCHSUXDLIDC-SNVBAGLBSA-N 2 1 230.271 0.763 20 0 BCADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000617553550 356110957 /nfs/dbraw/zinc/11/09/57/356110957.db2.gz KLRJHCCBJYORRN-QWRGUYRKSA-N 2 1 227.352 0.489 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000617555107 356112017 /nfs/dbraw/zinc/11/20/17/356112017.db2.gz PZRFTTSESBFCKY-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000617555107 356112020 /nfs/dbraw/zinc/11/20/20/356112020.db2.gz PZRFTTSESBFCKY-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000617555107 356112023 /nfs/dbraw/zinc/11/20/23/356112023.db2.gz PZRFTTSESBFCKY-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000351807791 356088724 /nfs/dbraw/zinc/08/87/24/356088724.db2.gz HYFINKDLXNBLTO-UTUOFQBUSA-N 2 1 212.337 0.783 20 0 BCADMP Cc1cnc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000351860171 356097827 /nfs/dbraw/zinc/09/78/27/356097827.db2.gz HRNFBAJHOUNGSY-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP Cc1cnc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000351860171 356097833 /nfs/dbraw/zinc/09/78/33/356097833.db2.gz HRNFBAJHOUNGSY-QWRGUYRKSA-N 2 1 220.320 0.954 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000351867445 356102399 /nfs/dbraw/zinc/10/23/99/356102399.db2.gz YFJQZJHPBLVAFO-CYZMBNFOSA-N 2 1 247.342 0.882 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000351867445 356102401 /nfs/dbraw/zinc/10/24/01/356102401.db2.gz YFJQZJHPBLVAFO-CYZMBNFOSA-N 2 1 247.342 0.882 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335917777 356163353 /nfs/dbraw/zinc/16/33/53/356163353.db2.gz KNJMMADCVCCTHG-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335917777 356163358 /nfs/dbraw/zinc/16/33/58/356163358.db2.gz KNJMMADCVCCTHG-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP Cn1nccc1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335917777 356163363 /nfs/dbraw/zinc/16/33/63/356163363.db2.gz KNJMMADCVCCTHG-AWEZNQCLSA-N 2 1 248.374 0.990 20 0 BCADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CC[NH2+]C1 ZINC000420230310 192181045 /nfs/dbraw/zinc/18/10/45/192181045.db2.gz PNXWWAFPXILVKN-JTQLQIEISA-N 2 1 249.314 0.702 20 0 BCADMP CN(c1cc[nH+]c(N2CCCCC2)n1)C1C[NH2+]C1 ZINC000420252733 192187845 /nfs/dbraw/zinc/18/78/45/192187845.db2.gz BPWHZIWJOOQMEG-UHFFFAOYSA-N 2 1 247.346 0.875 20 0 BCADMP C[C@H](C[NH3+])N(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420291445 192203576 /nfs/dbraw/zinc/20/35/76/192203576.db2.gz NNXQEZNFSRYBQO-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@H](C[NH3+])N(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420291445 192203579 /nfs/dbraw/zinc/20/35/79/192203579.db2.gz NNXQEZNFSRYBQO-UTUOFQBUSA-N 2 1 227.352 0.129 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420292650 192203589 /nfs/dbraw/zinc/20/35/89/192203589.db2.gz PTVGENXVUHWYOO-RYUDHWBXSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420292650 192203592 /nfs/dbraw/zinc/20/35/92/192203592.db2.gz PTVGENXVUHWYOO-RYUDHWBXSA-N 2 1 211.353 0.670 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000420291764 192203613 /nfs/dbraw/zinc/20/36/13/192203613.db2.gz KSHDKLOXCAWDTR-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000420291764 192203616 /nfs/dbraw/zinc/20/36/16/192203616.db2.gz KSHDKLOXCAWDTR-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291288 192204012 /nfs/dbraw/zinc/20/40/12/192204012.db2.gz NCNCBCKDGYTAEL-LLVKDONJSA-N 3 1 213.369 0.903 20 0 BCADMP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)CN ZINC000420291288 192204014 /nfs/dbraw/zinc/20/40/14/192204014.db2.gz NCNCBCKDGYTAEL-LLVKDONJSA-N 2 1 213.369 0.903 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)CN ZINC000420291288 192204015 /nfs/dbraw/zinc/20/40/15/192204015.db2.gz NCNCBCKDGYTAEL-LLVKDONJSA-N 2 1 213.369 0.903 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420298638 192204351 /nfs/dbraw/zinc/20/43/51/192204351.db2.gz FMSJAYIBMDBXPV-GFCCVEGCSA-N 2 1 229.368 0.818 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420299641 192206147 /nfs/dbraw/zinc/20/61/47/192206147.db2.gz BDTDYRDENMTVOI-SRVKXCTJSA-N 2 1 240.347 0.999 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319226 192195287 /nfs/dbraw/zinc/19/52/87/192195287.db2.gz RINUTRYUKYXLHL-MELADBBJSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319226 192195289 /nfs/dbraw/zinc/19/52/89/192195289.db2.gz RINUTRYUKYXLHL-MELADBBJSA-N 2 1 237.391 0.917 20 0 BCADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+](C)C ZINC000336125172 134092523 /nfs/dbraw/zinc/09/25/23/134092523.db2.gz XROAGHIHLNNMFV-RYUDHWBXSA-N 2 1 239.363 0.633 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319224 192195629 /nfs/dbraw/zinc/19/56/29/192195629.db2.gz RINUTRYUKYXLHL-IHRRRGAJSA-N 3 1 237.391 0.917 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319224 192195631 /nfs/dbraw/zinc/19/56/31/192195631.db2.gz RINUTRYUKYXLHL-IHRRRGAJSA-N 2 1 237.391 0.917 20 0 BCADMP CC[N@@H+](CCC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420302820 192207038 /nfs/dbraw/zinc/20/70/38/192207038.db2.gz CBVSEJQHCOKSQB-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420303969 192206671 /nfs/dbraw/zinc/20/66/71/192206671.db2.gz IDXRSKFLKVBMLJ-AXFHLTTASA-N 2 1 226.320 0.609 20 0 BCADMP C[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286842 192201490 /nfs/dbraw/zinc/20/14/90/192201490.db2.gz FUMKVGHKZUHOHD-RYUDHWBXSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286842 192201492 /nfs/dbraw/zinc/20/14/92/192201492.db2.gz FUMKVGHKZUHOHD-RYUDHWBXSA-N 3 1 211.353 0.670 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000420294453 192202992 /nfs/dbraw/zinc/20/29/92/192202992.db2.gz OMKIYBHJKZQBNS-LLVKDONJSA-N 2 1 228.336 0.869 20 0 BCADMP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000420291765 192203485 /nfs/dbraw/zinc/20/34/85/192203485.db2.gz KSHDKLOXCAWDTR-XQQFMLRXSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000420291765 192203487 /nfs/dbraw/zinc/20/34/87/192203487.db2.gz KSHDKLOXCAWDTR-XQQFMLRXSA-N 2 1 241.379 0.389 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420316554 192213271 /nfs/dbraw/zinc/21/32/71/192213271.db2.gz YIYXZQIANOSCJS-VHSXEESVSA-N 2 1 214.309 0.609 20 0 BCADMP COCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329821 192214864 /nfs/dbraw/zinc/21/48/64/192214864.db2.gz PCAGPWOTFOHMMO-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP CCOC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390404697 356368069 /nfs/dbraw/zinc/36/80/69/356368069.db2.gz BFXLQXMSIIWHDX-GHMZBOCLSA-N 2 1 226.320 0.481 20 0 BCADMP CC[N@@H+](CCCO)CC[C@@H]1CC[NH2+]C1 ZINC000420302544 192207651 /nfs/dbraw/zinc/20/76/51/192207651.db2.gz MOAUJVOOIXINDG-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP NC(=O)[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000152646120 181267758 /nfs/dbraw/zinc/26/77/58/181267758.db2.gz KAGUJNDSYYWHRI-JTQLQIEISA-N 2 1 222.292 0.223 20 0 BCADMP NC(=O)[C@@H]1CCCCN1CCn1ccnc1 ZINC000152646120 181267761 /nfs/dbraw/zinc/26/77/61/181267761.db2.gz KAGUJNDSYYWHRI-JTQLQIEISA-N 2 1 222.292 0.223 20 0 BCADMP CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307583 192209802 /nfs/dbraw/zinc/20/98/02/192209802.db2.gz RLSDGOVOUSEVFN-NEPJUHHUSA-N 2 1 239.363 0.442 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCN1CCOCC1 ZINC000420367540 192225792 /nfs/dbraw/zinc/22/57/92/192225792.db2.gz SUBCCBHICCNSMG-NSHDSACASA-N 2 1 229.368 0.282 20 0 BCADMP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC([NH3+])C1 ZINC000420322520 192227527 /nfs/dbraw/zinc/22/75/27/192227527.db2.gz AHDRJKUPCIXQKQ-BPNZPQAUSA-N 2 1 239.363 0.271 20 0 BCADMP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC([NH3+])C1 ZINC000420322520 192227531 /nfs/dbraw/zinc/22/75/31/192227531.db2.gz AHDRJKUPCIXQKQ-BPNZPQAUSA-N 2 1 239.363 0.271 20 0 BCADMP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC([NH3+])C1 ZINC000420322520 192227532 /nfs/dbraw/zinc/22/75/32/192227532.db2.gz AHDRJKUPCIXQKQ-BPNZPQAUSA-N 2 1 239.363 0.271 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420371021 192227722 /nfs/dbraw/zinc/22/77/22/192227722.db2.gz WQQJRTPEEYKFOZ-SNVBAGLBSA-N 2 1 229.368 0.818 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420321696 192228029 /nfs/dbraw/zinc/22/80/29/192228029.db2.gz RKLHCFYLRXMXFM-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329519 192230216 /nfs/dbraw/zinc/23/02/16/192230216.db2.gz OMOGCSYQJDKUAY-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP CC(C)(C)[C@H](CN)[NH2+]CC(=O)NCC1CCC1 ZINC000420364592 192224267 /nfs/dbraw/zinc/22/42/67/192224267.db2.gz PHLCQSIPBITPKB-NSHDSACASA-N 2 1 241.379 0.866 20 0 BCADMP COCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420365668 192224633 /nfs/dbraw/zinc/22/46/33/192224633.db2.gz LKIHDHNCILUKQU-GARJFASQSA-N 2 1 200.326 0.999 20 0 BCADMP C[NH2+]CCC[N@H+](C)CC1(CC(=O)OC)CC1 ZINC000420395357 192236643 /nfs/dbraw/zinc/23/66/43/192236643.db2.gz UCSHHPPUUQGOCX-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C[NH2+]CCC[N@@H+](C)CC1(CC(=O)OC)CC1 ZINC000420395357 192236646 /nfs/dbraw/zinc/23/66/46/192236646.db2.gz UCSHHPPUUQGOCX-UHFFFAOYSA-N 2 1 228.336 0.871 20 0 BCADMP C[N@H+]1CC[C@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408709 192239129 /nfs/dbraw/zinc/23/91/29/192239129.db2.gz PSJHXUWBUSXPBR-STQMWFEESA-N 2 1 219.332 0.980 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420419826 192240930 /nfs/dbraw/zinc/24/09/30/192240930.db2.gz XUOIFFHXSALCEW-VXGBXAGGSA-N 2 1 241.379 0.772 20 0 BCADMP CCN(C)C(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420373168 192231638 /nfs/dbraw/zinc/23/16/38/192231638.db2.gz QWKKHTPIOZPSJP-NQBHXWOUSA-N 2 1 241.379 0.831 20 0 BCADMP CCC(CC)(C[NH2+]CC[NH3+])C(=O)OC ZINC000420380354 192232798 /nfs/dbraw/zinc/23/27/98/192232798.db2.gz WGCDCFSGHLXOEA-UHFFFAOYSA-N 2 1 202.298 0.514 20 0 BCADMP C[C@H]1C[C@@H](O)C[N@H+]1CCc1cncn1C ZINC000639551694 356436551 /nfs/dbraw/zinc/43/65/51/356436551.db2.gz NBCSTGRJLJCKFJ-GXSJLCMTSA-N 2 1 209.293 0.418 20 0 BCADMP CNC(=O)[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000639565092 356481959 /nfs/dbraw/zinc/48/19/59/356481959.db2.gz GNGPJIKFDMEGOB-NSHDSACASA-N 2 1 238.335 0.323 20 0 BCADMP NC(=O)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134490422 181279129 /nfs/dbraw/zinc/27/91/29/181279129.db2.gz HFQBVJPQYZGVSC-GFCCVEGCSA-N 2 1 239.363 0.716 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)CC(N)=O ZINC000639582414 356503266 /nfs/dbraw/zinc/50/32/66/356503266.db2.gz BFFIEKCBNOFLIC-UHFFFAOYSA-N 2 1 224.308 0.206 20 0 BCADMP C[C@H]1CCNC(=O)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639625526 356540289 /nfs/dbraw/zinc/54/02/89/356540289.db2.gz YLCKTNBLGGJEGP-ONGXEEELSA-N 2 1 236.319 0.077 20 0 BCADMP Cc1ccc(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215204 134135956 /nfs/dbraw/zinc/13/59/56/134135956.db2.gz GCDVVVNERSQFKR-GXFFZTMASA-N 2 1 249.358 0.733 20 0 BCADMP Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215184 134136094 /nfs/dbraw/zinc/13/60/94/134136094.db2.gz GCDVVVNERSQFKR-GWCFXTLKSA-N 2 1 249.358 0.733 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630088270 363481816 /nfs/dbraw/zinc/48/18/16/363481816.db2.gz ANJAZBZNMKTDFE-ONGXEEELSA-N 2 1 236.319 0.448 20 0 BCADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000630088401 363485004 /nfs/dbraw/zinc/48/50/04/363485004.db2.gz BHOOCCAHPWAHNZ-LLVKDONJSA-N 2 1 248.330 0.592 20 0 BCADMP CCNC(=O)C(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000639668335 356574889 /nfs/dbraw/zinc/57/48/89/356574889.db2.gz IXSYKIXSXHHXQJ-UHFFFAOYSA-N 2 1 238.335 0.467 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000167607440 134152766 /nfs/dbraw/zinc/15/27/66/134152766.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167607440 134152767 /nfs/dbraw/zinc/15/27/67/134152767.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167607440 134152768 /nfs/dbraw/zinc/15/27/68/134152768.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC000639757696 356664316 /nfs/dbraw/zinc/66/43/16/356664316.db2.gz OONBLVLJOVJVGH-LLVKDONJSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000167601360 134152869 /nfs/dbraw/zinc/15/28/69/134152869.db2.gz FZPHGTDRPBKYDV-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000167601360 134152870 /nfs/dbraw/zinc/15/28/70/134152870.db2.gz FZPHGTDRPBKYDV-QWRGUYRKSA-N 2 1 222.336 0.837 20 0 BCADMP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000627226161 363553372 /nfs/dbraw/zinc/55/33/72/363553372.db2.gz GMIUDSDISVEHLY-JTQLQIEISA-N 2 1 228.340 0.071 20 0 BCADMP CC(C)NC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288285 356656436 /nfs/dbraw/zinc/65/64/36/356656436.db2.gz XZJCHIOTPMNMOP-PHIMTYICSA-N 2 1 225.336 0.052 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248203 356679888 /nfs/dbraw/zinc/67/98/88/356679888.db2.gz OYOJCKPYTWWGAL-GHMZBOCLSA-N 2 1 240.351 0.117 20 0 BCADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(C)(C)O)C1 ZINC000639763302 356688589 /nfs/dbraw/zinc/68/85/89/356688589.db2.gz PZLBJJOBJRSWEP-CYBMUJFWSA-N 2 1 244.379 0.536 20 0 BCADMP COCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764273 356689939 /nfs/dbraw/zinc/68/99/39/356689939.db2.gz ZOKADQJMOUEWEJ-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@@H](O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764017 356690190 /nfs/dbraw/zinc/69/01/90/356690190.db2.gz SEDUNWUFCVMQAY-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423143956 192586821 /nfs/dbraw/zinc/58/68/21/192586821.db2.gz FQIKAADGXYTWGR-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP CC(C)OCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762134 356685264 /nfs/dbraw/zinc/68/52/64/356685264.db2.gz GORFEGTUTSEXGS-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CC(C)OCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762134 356685266 /nfs/dbraw/zinc/68/52/66/356685266.db2.gz GORFEGTUTSEXGS-ZDUSSCGKSA-N 2 1 244.379 0.800 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767303 356696953 /nfs/dbraw/zinc/69/69/53/356696953.db2.gz QLRQVCWHLPLZJA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767303 356696959 /nfs/dbraw/zinc/69/69/59/356696959.db2.gz QLRQVCWHLPLZJA-RYUDHWBXSA-N 2 1 230.352 0.146 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000353456652 134164113 /nfs/dbraw/zinc/16/41/13/134164113.db2.gz DNSHDMZAMAKKMA-NEPJUHHUSA-N 2 1 241.379 0.831 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)O ZINC000578186548 366369475 /nfs/dbraw/zinc/36/94/75/366369475.db2.gz YASLWDIDZOUMPR-GHMZBOCLSA-N 2 1 218.341 0.314 20 0 BCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000357245139 356820014 /nfs/dbraw/zinc/82/00/14/356820014.db2.gz UTHLTOQVBPLNMX-RYUDHWBXSA-N 2 1 241.379 0.675 20 0 BCADMP CC[NH+](CCO)[C@H](C)CC[N@@H+](CC)CCO ZINC000155753037 538730656 /nfs/dbraw/zinc/73/06/56/538730656.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CCO)CC[C@@H](C)[N@H+](CC)CCO ZINC000155753037 538730659 /nfs/dbraw/zinc/73/06/59/538730659.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP CC[NH+](CCO)CC[C@@H](C)[N@@H+](CC)CCO ZINC000155753037 538730662 /nfs/dbraw/zinc/73/06/62/538730662.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 2 1 232.368 0.393 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186890 /nfs/dbraw/zinc/18/68/90/202186890.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@@H+]1CCC[C@@H]2CN(Cc3c[nH]nn3)CC[C@@H]21 ZINC000450498943 202186893 /nfs/dbraw/zinc/18/68/93/202186893.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 1 235.335 0.721 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH]nn3)CC[C@@H]21 ZINC000450498943 202186895 /nfs/dbraw/zinc/18/68/95/202186895.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 1 235.335 0.721 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851157 356855183 /nfs/dbraw/zinc/85/51/83/356855183.db2.gz ZHKPBZZROSHQGK-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851157 356855186 /nfs/dbraw/zinc/85/51/86/356855186.db2.gz ZHKPBZZROSHQGK-RYUDHWBXSA-N 2 1 239.319 0.009 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000389570061 356992872 /nfs/dbraw/zinc/99/28/72/356992872.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000389570061 356992874 /nfs/dbraw/zinc/99/28/74/356992874.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000389570061 356992876 /nfs/dbraw/zinc/99/28/76/356992876.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@@H](C)O ZINC000389570061 356992877 /nfs/dbraw/zinc/99/28/77/356992877.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000389570061 356992879 /nfs/dbraw/zinc/99/28/79/356992879.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000389570061 356992880 /nfs/dbraw/zinc/99/28/80/356992880.db2.gz BHOJZKDIZWYYQU-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@@H]1CO ZINC000639871934 357040182 /nfs/dbraw/zinc/04/01/82/357040182.db2.gz MHEDWEKRFZDYTC-QWHCGFSZSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)C[C@@H]1CO ZINC000639871934 357040185 /nfs/dbraw/zinc/04/01/85/357040185.db2.gz MHEDWEKRFZDYTC-QWHCGFSZSA-N 2 1 241.379 0.079 20 0 BCADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639871934 357040190 /nfs/dbraw/zinc/04/01/90/357040190.db2.gz MHEDWEKRFZDYTC-QWHCGFSZSA-N 2 1 241.379 0.079 20 0 BCADMP CN(CC[N@H+](C)C1CC1)C(=O)CC(F)(F)C[NH3+] ZINC000582308670 357047785 /nfs/dbraw/zinc/04/77/85/357047785.db2.gz SAJQMUYKYLQPEJ-UHFFFAOYSA-N 2 1 249.305 0.523 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC(F)(F)C[NH3+] ZINC000582308670 357047788 /nfs/dbraw/zinc/04/77/88/357047788.db2.gz SAJQMUYKYLQPEJ-UHFFFAOYSA-N 2 1 249.305 0.523 20 0 BCADMP Cc1n[nH]c(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000392360975 357147654 /nfs/dbraw/zinc/14/76/54/357147654.db2.gz BGKPTGSJJONGGJ-VHSXEESVSA-N 2 1 223.324 0.515 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000393876233 357303992 /nfs/dbraw/zinc/30/39/92/357303992.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](OC)C1 ZINC000393887397 357306273 /nfs/dbraw/zinc/30/62/73/357306273.db2.gz VCDZRFXZGJOCHM-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](OC)C1 ZINC000393887397 357306277 /nfs/dbraw/zinc/30/62/77/357306277.db2.gz VCDZRFXZGJOCHM-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000393887397 357306278 /nfs/dbraw/zinc/30/62/78/357306278.db2.gz VCDZRFXZGJOCHM-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000393887397 357306282 /nfs/dbraw/zinc/30/62/82/357306282.db2.gz VCDZRFXZGJOCHM-RWMBFGLXSA-N 2 1 244.379 0.656 20 0 BCADMP CC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000393342409 357307687 /nfs/dbraw/zinc/30/76/87/357307687.db2.gz GJGFJKMKMOYZQN-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000393342409 357307692 /nfs/dbraw/zinc/30/76/92/357307692.db2.gz GJGFJKMKMOYZQN-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000393342409 357307696 /nfs/dbraw/zinc/30/76/96/357307696.db2.gz GJGFJKMKMOYZQN-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[C@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000393342409 357307702 /nfs/dbraw/zinc/30/77/02/357307702.db2.gz GJGFJKMKMOYZQN-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP [NH3+]C1(C(=O)NCC[N@@H+]2CC=CCC2)CCC1 ZINC000392878265 357260715 /nfs/dbraw/zinc/26/07/15/357260715.db2.gz HJFMSYIREIPGKZ-UHFFFAOYSA-N 2 1 223.320 0.246 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393983660 357313569 /nfs/dbraw/zinc/31/35/69/357313569.db2.gz VFMIMIPPFWPKEC-GHMZBOCLSA-N 2 1 232.368 0.296 20 0 BCADMP CCOC[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000582490292 357319332 /nfs/dbraw/zinc/31/93/32/357319332.db2.gz ACPHNMAPTHDRNC-NWDGAFQWSA-N 2 1 230.352 0.315 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623408367 357404551 /nfs/dbraw/zinc/40/45/51/357404551.db2.gz SXYBYENYOHYGAV-BQUFFADESA-N 2 1 226.364 0.933 20 0 BCADMP CC[C@H](C)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178409 357552780 /nfs/dbraw/zinc/55/27/80/357552780.db2.gz RUDVGMSMCUJOQG-RYUDHWBXSA-N 2 1 241.379 0.819 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]CC1=CCOCC1)C1CC1 ZINC000397682836 357621706 /nfs/dbraw/zinc/62/17/06/357621706.db2.gz UVNHWGZHBXGFHD-ZDUSSCGKSA-N 2 1 240.347 0.378 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1=CCOCC1)C1CC1 ZINC000397682836 357621710 /nfs/dbraw/zinc/62/17/10/357621710.db2.gz UVNHWGZHBXGFHD-ZDUSSCGKSA-N 2 1 240.347 0.378 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000063505262 357661014 /nfs/dbraw/zinc/66/10/14/357661014.db2.gz UJTFSIZFWLDWAG-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397779141 357695235 /nfs/dbraw/zinc/69/52/35/357695235.db2.gz UYRDQSKFWXQJAW-LSCVPOLPSA-N 2 1 224.348 0.830 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000397779141 357695238 /nfs/dbraw/zinc/69/52/38/357695238.db2.gz UYRDQSKFWXQJAW-LSCVPOLPSA-N 2 1 224.348 0.830 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415171 357763042 /nfs/dbraw/zinc/76/30/42/357763042.db2.gz BICUMAJUPILOCN-WCQYABFASA-N 2 1 244.379 0.846 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415172 357763379 /nfs/dbraw/zinc/76/33/79/357763379.db2.gz BICUMAJUPILOCN-YPMHNXCESA-N 2 1 244.379 0.846 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000192471687 357835444 /nfs/dbraw/zinc/83/54/44/357835444.db2.gz DJJWMVKAPKKQIM-OLZOCXBDSA-N 2 1 244.379 0.969 20 0 BCADMP CC[C@@H](O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398468850 357886510 /nfs/dbraw/zinc/88/65/10/357886510.db2.gz DLGYQUNWVLEZID-OLZOCXBDSA-N 2 1 244.379 0.582 20 0 BCADMP CC[C@@H](O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398468850 357886514 /nfs/dbraw/zinc/88/65/14/357886514.db2.gz DLGYQUNWVLEZID-OLZOCXBDSA-N 2 1 244.379 0.582 20 0 BCADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000584403366 357910437 /nfs/dbraw/zinc/91/04/37/357910437.db2.gz ZAXAJXUSGDRNGC-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000584403366 357910439 /nfs/dbraw/zinc/91/04/39/357910439.db2.gz ZAXAJXUSGDRNGC-STQMWFEESA-N 2 1 244.379 0.393 20 0 BCADMP [NH3+]Cc1noc([C@@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000583751935 357934361 /nfs/dbraw/zinc/93/43/61/357934361.db2.gz HKVMTWHLHXVKFP-ZDUSSCGKSA-N 2 1 244.298 0.808 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@](C)(CO)COC ZINC000639958323 357982670 /nfs/dbraw/zinc/98/26/70/357982670.db2.gz SAOUGLCJWVPPNC-GFCCVEGCSA-N 2 1 232.368 0.705 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219832777 358013862 /nfs/dbraw/zinc/01/38/62/358013862.db2.gz PSZPALVKEDMEFM-YPMHNXCESA-N 2 1 239.363 0.444 20 0 BCADMP CO[C@@H]1CN(Cc2cncn2C)[C@@](C)(CO)C1 ZINC000640003395 358046610 /nfs/dbraw/zinc/04/66/10/358046610.db2.gz OCUPHRQEUMELDP-NWDGAFQWSA-N 2 1 239.319 0.392 20 0 BCADMP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037609488 358083309 /nfs/dbraw/zinc/08/33/09/358083309.db2.gz WODMKDYOSDZPBF-RYUDHWBXSA-N 2 1 237.347 0.481 20 0 BCADMP O=C(C[NH2+]C1CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649674 358084945 /nfs/dbraw/zinc/08/49/45/358084945.db2.gz BPPPJKGCDSUQHM-SNVBAGLBSA-N 2 1 237.347 0.339 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000094295252 487527726 /nfs/dbraw/zinc/52/77/26/487527726.db2.gz ZOMMHFKUKUVEOP-JTQLQIEISA-N 2 1 237.347 0.611 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000348062514 535405966 /nfs/dbraw/zinc/40/59/66/535405966.db2.gz KMOCVSLWZTYSBK-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000348062514 535405970 /nfs/dbraw/zinc/40/59/70/535405970.db2.gz KMOCVSLWZTYSBK-SDDRHHMPSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293992 358232399 /nfs/dbraw/zinc/23/23/99/358232399.db2.gz QIDNCFGJJNAGML-UWVGGRQHSA-N 2 1 213.325 0.311 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000040601622 358243694 /nfs/dbraw/zinc/24/36/94/358243694.db2.gz OAFWLECCLFEVPE-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP C[NH2+]CCCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624534 358244396 /nfs/dbraw/zinc/24/43/96/358244396.db2.gz USAAKIFCVMZVJH-GFCCVEGCSA-N 2 1 241.379 0.833 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082824 358333715 /nfs/dbraw/zinc/33/37/15/358333715.db2.gz FILIGPTXBGHKEA-NSHDSACASA-N 2 1 225.336 0.339 20 0 BCADMP C(C[N@H+]1CCO[C@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000043427994 358375468 /nfs/dbraw/zinc/37/54/68/358375468.db2.gz PFQVVSKRPSYPQJ-OLZOCXBDSA-N 2 1 239.363 0.145 20 0 BCADMP CC(C)c1[nH+]ccn1CCN1CC[NH2+]CC1 ZINC000043500021 358377684 /nfs/dbraw/zinc/37/76/84/358377684.db2.gz JXJPCDBGEZUOEV-UHFFFAOYSA-N 2 1 222.336 0.912 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227476326 358358720 /nfs/dbraw/zinc/35/87/20/358358720.db2.gz GFLRQQJNUKWSEM-YFKTTZPYSA-N 2 1 212.337 0.972 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227476326 358358723 /nfs/dbraw/zinc/35/87/23/358358723.db2.gz GFLRQQJNUKWSEM-YFKTTZPYSA-N 2 1 212.337 0.972 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000134995761 325387409 /nfs/dbraw/zinc/38/74/09/325387409.db2.gz DYQCUPBWWVQKNT-GFCCVEGCSA-N 2 1 239.363 0.633 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794812 358553850 /nfs/dbraw/zinc/55/38/50/358553850.db2.gz YNAYMAZDMGLJSQ-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000129940856 358602287 /nfs/dbraw/zinc/60/22/87/358602287.db2.gz UIQRIJGOWMEQOL-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130647933 358638717 /nfs/dbraw/zinc/63/87/17/358638717.db2.gz QTUFZHMCGZZYGY-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130647933 358638721 /nfs/dbraw/zinc/63/87/21/358638721.db2.gz QTUFZHMCGZZYGY-YNEHKIRRSA-N 2 1 242.363 0.864 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130864036 358650926 /nfs/dbraw/zinc/65/09/26/358650926.db2.gz GKGTVZTYFKPGBH-TUAOUCFPSA-N 2 1 240.347 0.999 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000133655002 358762603 /nfs/dbraw/zinc/76/26/03/358762603.db2.gz UFIICKUXOMUXEI-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C)C[N@H+]1C1CC1 ZINC000133655002 358762605 /nfs/dbraw/zinc/76/26/05/358762605.db2.gz UFIICKUXOMUXEI-ZJUUUORDSA-N 2 1 225.336 0.289 20 0 BCADMP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168550488 535435118 /nfs/dbraw/zinc/43/51/18/535435118.db2.gz IDQGFMOBRNHKDI-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP CCN(CC)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168550488 535435128 /nfs/dbraw/zinc/43/51/28/535435128.db2.gz IDQGFMOBRNHKDI-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000132910464 358739611 /nfs/dbraw/zinc/73/96/11/358739611.db2.gz VVJQTHGYTYXNMY-MNOVXSKESA-N 2 1 225.336 0.468 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134809076 358806924 /nfs/dbraw/zinc/80/69/24/358806924.db2.gz HXWDTMBLRKGART-XQHKEYJVSA-N 2 1 224.348 0.853 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134809076 358806927 /nfs/dbraw/zinc/80/69/27/358806927.db2.gz HXWDTMBLRKGART-XQHKEYJVSA-N 2 1 224.348 0.853 20 0 BCADMP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000564083623 358849979 /nfs/dbraw/zinc/84/99/79/358849979.db2.gz YCUHHACSGUTEOU-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054128996 358854564 /nfs/dbraw/zinc/85/45/64/358854564.db2.gz ZWLHLHXAAAMGPT-LLVKDONJSA-N 2 1 229.368 0.674 20 0 BCADMP COC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057309 134297324 /nfs/dbraw/zinc/29/73/24/134297324.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057309 134297325 /nfs/dbraw/zinc/29/73/25/134297325.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057309 134297326 /nfs/dbraw/zinc/29/73/26/134297326.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057309 134297327 /nfs/dbraw/zinc/29/73/27/134297327.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 2 1 230.352 0.408 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308049 192696723 /nfs/dbraw/zinc/69/67/23/192696723.db2.gz XENIDKKPRFSLPM-GVXVVHGQSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308856687 491139081 /nfs/dbraw/zinc/13/90/81/491139081.db2.gz QDSOEPDMWPNBDJ-GHMZBOCLSA-N 2 1 218.341 0.050 20 0 BCADMP C[C@@H](CCCCO)[NH2+]C[C@H](O)C[NH+](C)C ZINC000308856689 491139098 /nfs/dbraw/zinc/13/90/98/491139098.db2.gz QDSOEPDMWPNBDJ-QWRGUYRKSA-N 2 1 218.341 0.050 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@H]1NCC(F)(F)C[NH3+] ZINC000423349412 192724287 /nfs/dbraw/zinc/72/42/87/192724287.db2.gz WNRUDNSHAMPYHX-RKDXNWHRSA-N 2 1 221.295 0.688 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252611335 359314764 /nfs/dbraw/zinc/31/47/64/359314764.db2.gz VLEHGQDIBFRTEJ-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423383513 192758773 /nfs/dbraw/zinc/75/87/73/192758773.db2.gz JLQWGEOMDXZJOZ-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000423778014 192834583 /nfs/dbraw/zinc/83/45/83/192834583.db2.gz SHYPKSZCTXHWTL-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000423778918 192835654 /nfs/dbraw/zinc/83/56/54/192835654.db2.gz UNXHZFJCRJQFRD-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423842259 192838860 /nfs/dbraw/zinc/83/88/60/192838860.db2.gz GZYXNJKSJJUWLH-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309075727 491144108 /nfs/dbraw/zinc/14/41/08/491144108.db2.gz KFNZBTPDCRCACF-UTUOFQBUSA-N 2 1 212.337 0.974 20 0 BCADMP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450854439 202289745 /nfs/dbraw/zinc/28/97/45/202289745.db2.gz KLCNMKGAXSWLIT-QWHCGFSZSA-N 2 1 242.363 0.743 20 0 BCADMP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450854439 202289747 /nfs/dbraw/zinc/28/97/47/202289747.db2.gz KLCNMKGAXSWLIT-QWHCGFSZSA-N 2 1 242.363 0.743 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC000578409611 366558360 /nfs/dbraw/zinc/55/83/60/366558360.db2.gz HFGXENREWIOYHJ-LLVKDONJSA-N 2 1 236.319 0.341 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000087526195 359916727 /nfs/dbraw/zinc/91/67/27/359916727.db2.gz JVHKYINWXHRIJD-VXGBXAGGSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH2+]CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164353 359939203 /nfs/dbraw/zinc/93/92/03/359939203.db2.gz RPIOTCRPHQJJTE-YOGCLGLASA-N 2 1 239.363 0.727 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867761 366661657 /nfs/dbraw/zinc/66/16/57/366661657.db2.gz BNZYRYJZMCYCCA-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867761 366661663 /nfs/dbraw/zinc/66/16/63/366661663.db2.gz BNZYRYJZMCYCCA-FRRDWIJNSA-N 2 1 223.364 0.527 20 0 BCADMP COCCC[N@@H+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000089749280 360036937 /nfs/dbraw/zinc/03/69/37/360036937.db2.gz NKVNKXSINREMDA-CYBMUJFWSA-N 2 1 244.379 0.971 20 0 BCADMP C([NH2+]C1CCOCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000090714971 360085501 /nfs/dbraw/zinc/08/55/01/360085501.db2.gz BMAVSVPZKIFZSH-OLZOCXBDSA-N 2 1 240.347 0.618 20 0 BCADMP C([NH2+]C1CCOCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000090714971 360085503 /nfs/dbraw/zinc/08/55/03/360085503.db2.gz BMAVSVPZKIFZSH-OLZOCXBDSA-N 2 1 240.347 0.618 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875059 360135343 /nfs/dbraw/zinc/13/53/43/360135343.db2.gz BWHGQQDWAIHYRG-JQWIXIFHSA-N 2 1 240.351 0.132 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)CC1(C)C ZINC000623472947 360197343 /nfs/dbraw/zinc/19/73/43/360197343.db2.gz CGGIZKBNQPCTOX-WCQYABFASA-N 2 1 242.363 0.600 20 0 BCADMP CN(Cc1cnnn1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253406 360159634 /nfs/dbraw/zinc/15/96/34/360159634.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 1 237.351 0.589 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000626945045 360525322 /nfs/dbraw/zinc/52/53/22/360525322.db2.gz DTIBUZLWUWTFSK-GARJFASQSA-N 2 1 240.351 0.130 20 0 BCADMP C[NH+](C)CCCCC(=O)N1CC[NH+](C)CC1 ZINC000552118811 325597283 /nfs/dbraw/zinc/59/72/83/325597283.db2.gz XQMGMOXCDZDIRS-UHFFFAOYSA-N 2 1 227.352 0.492 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152415827 360740503 /nfs/dbraw/zinc/74/05/03/360740503.db2.gz KJFBOWSXMIOWOE-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152415827 360740508 /nfs/dbraw/zinc/74/05/08/360740508.db2.gz KJFBOWSXMIOWOE-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC1(C)C ZINC000631200082 360781346 /nfs/dbraw/zinc/78/13/46/360781346.db2.gz IXJVNHWQKFLBKA-AXFHLTTASA-N 2 1 228.336 0.209 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC1(C)C ZINC000631200082 360781347 /nfs/dbraw/zinc/78/13/47/360781347.db2.gz IXJVNHWQKFLBKA-AXFHLTTASA-N 2 1 228.336 0.209 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822882 360925534 /nfs/dbraw/zinc/92/55/34/360925534.db2.gz NTRFOANFQOITMM-GRYCIOLGSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407437 361056311 /nfs/dbraw/zinc/05/63/11/361056311.db2.gz ACXDNYALSGTKEW-YRRQLQLVSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629407583 361056384 /nfs/dbraw/zinc/05/63/84/361056384.db2.gz FDINJDNQGNNXAZ-WUHRBBMRSA-N 2 1 223.364 0.953 20 0 BCADMP C[NH2+]CCOCC[NH2+]C1CCN(C(C)C)CC1 ZINC000629392390 361041457 /nfs/dbraw/zinc/04/14/57/361041457.db2.gz MLMWXQOQUDXNRP-UHFFFAOYSA-N 2 1 243.395 0.685 20 0 BCADMP C[NH2+]CCOCCNC1CC[NH+](C(C)C)CC1 ZINC000629392390 361041461 /nfs/dbraw/zinc/04/14/61/361041461.db2.gz MLMWXQOQUDXNRP-UHFFFAOYSA-N 2 1 243.395 0.685 20 0 BCADMP CCCN1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629393159 361042312 /nfs/dbraw/zinc/04/23/12/361042312.db2.gz YIMWLEATOSPSRJ-UHFFFAOYSA-N 2 1 243.395 0.686 20 0 BCADMP CCC[NH+]1CCC(NCCOCC[NH2+]C)CC1 ZINC000629393159 361042315 /nfs/dbraw/zinc/04/23/15/361042315.db2.gz YIMWLEATOSPSRJ-UHFFFAOYSA-N 2 1 243.395 0.686 20 0 BCADMP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629400438 361051999 /nfs/dbraw/zinc/05/19/99/361051999.db2.gz XWUZGTXQESRURT-CHWSQXEVSA-N 3 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629400438 361052002 /nfs/dbraw/zinc/05/20/02/361052002.db2.gz XWUZGTXQESRURT-CHWSQXEVSA-N 2 1 241.379 0.568 20 0 BCADMP [NH3+]CCCOCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629400438 361052004 /nfs/dbraw/zinc/05/20/04/361052004.db2.gz XWUZGTXQESRURT-CHWSQXEVSA-N 2 1 241.379 0.568 20 0 BCADMP CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000629409207 361058056 /nfs/dbraw/zinc/05/80/56/361058056.db2.gz CITMJOJZSATMSE-LLVKDONJSA-N 2 1 240.351 0.084 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424164651 200872660 /nfs/dbraw/zinc/87/26/60/200872660.db2.gz COPMXZUKXREMNU-UTUOFQBUSA-N 2 1 239.363 0.570 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629509500 361103178 /nfs/dbraw/zinc/10/31/78/361103178.db2.gz AHCOTMXVVHEQNM-GFCCVEGCSA-N 2 1 242.363 0.723 20 0 BCADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccnc1N ZINC000629510723 361108417 /nfs/dbraw/zinc/10/84/17/361108417.db2.gz JAKDVYXAGWOPSN-UHFFFAOYSA-N 2 1 249.362 0.001 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccnc1N ZINC000629510723 361108419 /nfs/dbraw/zinc/10/84/19/361108419.db2.gz JAKDVYXAGWOPSN-UHFFFAOYSA-N 2 1 249.362 0.001 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629528495 361137042 /nfs/dbraw/zinc/13/70/42/361137042.db2.gz AMYXYVDGDCGVHG-RYUDHWBXSA-N 3 1 229.368 0.295 20 0 BCADMP C[NH2+]CCOCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000629528495 361137048 /nfs/dbraw/zinc/13/70/48/361137048.db2.gz AMYXYVDGDCGVHG-RYUDHWBXSA-N 2 1 229.368 0.295 20 0 BCADMP [NH3+]C1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC1 ZINC000037827047 181324857 /nfs/dbraw/zinc/32/48/57/181324857.db2.gz WYISNTAUAOTEFC-UHFFFAOYSA-N 2 1 237.347 0.565 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1COCCN1C)[C@H]1CCC[NH2+]1 ZINC000629532427 361152839 /nfs/dbraw/zinc/15/28/39/361152839.db2.gz AOHXBFCWRAPGBI-IJLUTSLNSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cnn(C)c1 ZINC000629522372 361123529 /nfs/dbraw/zinc/12/35/29/361123529.db2.gz YGEHQCNKCYFRNS-JTQLQIEISA-N 2 1 238.335 0.579 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000629525177 361125813 /nfs/dbraw/zinc/12/58/13/361125813.db2.gz YLSQZOOGABVXDW-GWOFURMSSA-N 2 1 225.336 0.371 20 0 BCADMP CC[N@@H+](CCCO)C[C@H]1CCC[NH2+]C1 ZINC000158596653 361204803 /nfs/dbraw/zinc/20/48/03/361204803.db2.gz XKRCZFRTHQKKEC-NSHDSACASA-N 2 1 200.326 0.690 20 0 BCADMP CC[N@@H+](CCCO)C[C@@H]1CCC[NH2+]C1 ZINC000158596509 361204944 /nfs/dbraw/zinc/20/49/44/361204944.db2.gz XKRCZFRTHQKKEC-LLVKDONJSA-N 2 1 200.326 0.690 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107041 366711654 /nfs/dbraw/zinc/71/16/54/366711654.db2.gz AQHIGPCPSQPERB-JOYOIKCWSA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000044726844 181328916 /nfs/dbraw/zinc/32/89/16/181328916.db2.gz NPWJVJBQXIVNHV-JTQLQIEISA-N 2 1 237.347 0.611 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH3+] ZINC000428482533 201024622 /nfs/dbraw/zinc/02/46/22/201024622.db2.gz OZKVTTIACFUQPU-AOOOYVTPSA-N 2 1 213.325 0.324 20 0 BCADMP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000622044860 370678201 /nfs/dbraw/zinc/67/82/01/370678201.db2.gz VVHOOWUPGHGVRY-GXSJLCMTSA-N 2 1 248.330 0.766 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000429276827 201089383 /nfs/dbraw/zinc/08/93/83/201089383.db2.gz XJAKXUGINJGKQZ-GFCCVEGCSA-N 2 1 229.368 0.818 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429165251 201075412 /nfs/dbraw/zinc/07/54/12/201075412.db2.gz SHUKRAMJXDYTKW-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189008 201078353 /nfs/dbraw/zinc/07/83/53/201078353.db2.gz ATRJMORIIAZFKA-NWDGAFQWSA-N 2 1 241.379 0.960 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391758 201106915 /nfs/dbraw/zinc/10/69/15/201106915.db2.gz BCENZLDKVQAILS-NEPJUHHUSA-N 2 1 241.379 0.833 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000429485668 201110690 /nfs/dbraw/zinc/11/06/90/201110690.db2.gz ULFHJQRMGKWIPT-UHFFFAOYSA-N 2 1 229.368 0.772 20 0 BCADMP COC1(C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCC1 ZINC000429540952 201111420 /nfs/dbraw/zinc/11/14/20/201111420.db2.gz UONWJPRZYUJZDJ-NEPJUHHUSA-N 2 1 244.379 0.846 20 0 BCADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000579354819 366767202 /nfs/dbraw/zinc/76/72/02/366767202.db2.gz NDMRHPIFMMIJNX-NSHDSACASA-N 2 1 238.335 0.981 20 0 BCADMP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629537476 361400662 /nfs/dbraw/zinc/40/06/62/361400662.db2.gz JMNVULKAWTYSAS-MNOVXSKESA-N 3 1 215.341 0.082 20 0 BCADMP CCO[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000629537318 361401492 /nfs/dbraw/zinc/40/14/92/361401492.db2.gz ORBOFOIFAYACIW-QWRGUYRKSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556877 201116182 /nfs/dbraw/zinc/11/61/82/201116182.db2.gz ZEWMPQSUWCNWRK-QWHCGFSZSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H]([NH2+]CCOCCC[NH3+])c1c[nH+]ccc1N ZINC000629540619 361415633 /nfs/dbraw/zinc/41/56/33/361415633.db2.gz VUSNZKUSMNFANP-JTQLQIEISA-N 3 1 238.335 0.510 20 0 BCADMP CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629540593 361414072 /nfs/dbraw/zinc/41/40/72/361414072.db2.gz VDXPFEZJUDFFHK-RYUDHWBXSA-N 3 1 229.368 0.472 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(C)(C)n1cncn1 ZINC000629544286 361420626 /nfs/dbraw/zinc/42/06/26/361420626.db2.gz IWVKOYPATGFSJA-HBNTYKKESA-N 2 1 237.351 0.742 20 0 BCADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543101 361422286 /nfs/dbraw/zinc/42/22/86/361422286.db2.gz STODSWWNRWPIRV-IJLUTSLNSA-N 2 1 237.351 0.787 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629544735 361425051 /nfs/dbraw/zinc/42/50/51/361425051.db2.gz KMLIQQBINDZTAG-XQQFMLRXSA-N 2 1 241.379 0.160 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629546192 361427917 /nfs/dbraw/zinc/42/79/17/361427917.db2.gz OXUHRYAHHXSKNE-XQQFMLRXSA-N 2 1 241.379 0.031 20 0 BCADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CC[C@@H](O)C1 ZINC000629546192 361427923 /nfs/dbraw/zinc/42/79/23/361427923.db2.gz OXUHRYAHHXSKNE-XQQFMLRXSA-N 2 1 241.379 0.031 20 0 BCADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000629546429 361427932 /nfs/dbraw/zinc/42/79/32/361427932.db2.gz WWNDESOMUPWAEZ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629547400 361430348 /nfs/dbraw/zinc/43/03/48/361430348.db2.gz SLBTZNDENFJXAG-XQQFMLRXSA-N 2 1 241.379 0.173 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629547649 361431848 /nfs/dbraw/zinc/43/18/48/361431848.db2.gz UXWCDQXWXBNOKM-NXEZZACHSA-N 2 1 207.277 0.757 20 0 BCADMP C[C@@H](NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629556563 361450195 /nfs/dbraw/zinc/45/01/95/361450195.db2.gz SLBTZNDENFJXAG-AGIUHOORSA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542119 361417974 /nfs/dbraw/zinc/41/79/74/361417974.db2.gz YPCNFOHLKGZUPQ-WISYIIOYSA-N 2 1 211.353 0.667 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1NCC1CC[NH2+]CC1 ZINC000629563923 361458348 /nfs/dbraw/zinc/45/83/48/361458348.db2.gz IJRWJOBYLZDDGJ-NWDGAFQWSA-N 2 1 211.353 0.716 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)CCn1cc(C)cn1 ZINC000629572184 361463720 /nfs/dbraw/zinc/46/37/20/361463720.db2.gz OGUUBKMPUYCUJS-UHFFFAOYSA-N 2 1 240.351 0.359 20 0 BCADMP CCc1nocc1C[N@H+](C)CCOCC[NH2+]C ZINC000629572621 361463730 /nfs/dbraw/zinc/46/37/30/361463730.db2.gz ZIXBLWLLDJCMPA-UHFFFAOYSA-N 2 1 241.335 0.905 20 0 BCADMP CCc1nocc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629572621 361463732 /nfs/dbraw/zinc/46/37/32/361463732.db2.gz ZIXBLWLLDJCMPA-UHFFFAOYSA-N 2 1 241.335 0.905 20 0 BCADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCOCC[NH3+] ZINC000629580463 361465129 /nfs/dbraw/zinc/46/51/29/361465129.db2.gz CNZWFYUXBRPXFT-UHFFFAOYSA-N 3 1 243.395 0.673 20 0 BCADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629576569 361466524 /nfs/dbraw/zinc/46/65/24/361466524.db2.gz APMFICZVVYDDCG-NSHDSACASA-N 2 1 245.367 0.149 20 0 BCADMP CCc1nc([C@H](C)N(C)CCOCC[NH3+])n[nH]1 ZINC000629580718 361469369 /nfs/dbraw/zinc/46/93/69/361469369.db2.gz FLMYDGCLZNSUOK-VIFPVBQESA-N 2 1 241.339 0.335 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430940000 201159590 /nfs/dbraw/zinc/15/95/90/201159590.db2.gz IITAALJZOHDTAJ-KOLCDFICSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430940000 201159593 /nfs/dbraw/zinc/15/95/93/201159593.db2.gz IITAALJZOHDTAJ-KOLCDFICSA-N 2 1 223.320 0.030 20 0 BCADMP CCO[C@H](C[N@@H+](C)CCOCC[NH3+])C1CC1 ZINC000629581294 361471282 /nfs/dbraw/zinc/47/12/82/361471282.db2.gz UZGAUPLWZKJEGC-GFCCVEGCSA-N 2 1 230.352 0.709 20 0 BCADMP CCO[C@@H](C[N@@H+](C)CCOCC[NH3+])C1CC1 ZINC000629581295 361471559 /nfs/dbraw/zinc/47/15/59/361471559.db2.gz UZGAUPLWZKJEGC-LBPRGKRZSA-N 2 1 230.352 0.709 20 0 BCADMP COC[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)OC ZINC000629595337 361482084 /nfs/dbraw/zinc/48/20/84/361482084.db2.gz QBTUKQGGKYPMQL-UPJWGTAASA-N 2 1 242.363 0.579 20 0 BCADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000629567259 361457695 /nfs/dbraw/zinc/45/76/95/361457695.db2.gz JCAOPNIFMXZEID-LBPRGKRZSA-N 3 1 229.368 0.154 20 0 BCADMP C[NH2+]CCOCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000629567259 361457700 /nfs/dbraw/zinc/45/77/00/361457700.db2.gz JCAOPNIFMXZEID-LBPRGKRZSA-N 2 1 229.368 0.154 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430940002 201158421 /nfs/dbraw/zinc/15/84/21/201158421.db2.gz IITAALJZOHDTAJ-ONGXEEELSA-N 2 1 223.320 0.030 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430940002 201158424 /nfs/dbraw/zinc/15/84/24/201158424.db2.gz IITAALJZOHDTAJ-ONGXEEELSA-N 2 1 223.320 0.030 20 0 BCADMP Cn1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000629648090 361538723 /nfs/dbraw/zinc/53/87/23/361538723.db2.gz GYYGXDBJWQWKIU-LBPRGKRZSA-N 2 1 223.320 0.575 20 0 BCADMP Cn1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000629648090 361538727 /nfs/dbraw/zinc/53/87/27/361538727.db2.gz GYYGXDBJWQWKIU-LBPRGKRZSA-N 2 1 223.320 0.575 20 0 BCADMP COC1(C[N@@H+](C)C[C@H](O)C[NH3+])CCCC1 ZINC000629648077 361539483 /nfs/dbraw/zinc/53/94/83/361539483.db2.gz GPNAYAIMTOSEKI-SNVBAGLBSA-N 2 1 216.325 0.197 20 0 BCADMP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660310 361565725 /nfs/dbraw/zinc/56/57/25/361565725.db2.gz RJRRLUUTVOSUDB-CMPLNLGQSA-N 3 1 211.353 0.716 20 0 BCADMP Cc1cnccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000629649241 361544661 /nfs/dbraw/zinc/54/46/61/361544661.db2.gz NGDXUEAQWKZRFC-GDNZZTSVSA-N 2 1 203.289 0.697 20 0 BCADMP COC[C@]1(C[NH2+]CC2=CCCOC2)CCC[NH2+]1 ZINC000629649685 361546561 /nfs/dbraw/zinc/54/65/61/361546561.db2.gz ZDBVWDQSDRTAGP-CYBMUJFWSA-N 2 1 240.347 0.691 20 0 BCADMP Cc1cnccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629652990 361551341 /nfs/dbraw/zinc/55/13/41/361551341.db2.gz DHZUMDMXUZYVLO-UHFFFAOYSA-N 2 1 235.331 0.988 20 0 BCADMP Cn1ccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629653980 361554571 /nfs/dbraw/zinc/55/45/71/361554571.db2.gz KVMBAAUKCVCQDK-UHFFFAOYSA-N 2 1 223.320 0.623 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629651527 361556998 /nfs/dbraw/zinc/55/69/98/361556998.db2.gz IWXBFEQDQHIHDX-NSHDSACASA-N 2 1 210.321 0.874 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000434697415 201233508 /nfs/dbraw/zinc/23/35/08/201233508.db2.gz ONEBIJKOORCXIB-JFGNBEQYSA-N 2 1 239.363 0.713 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434712117 201236846 /nfs/dbraw/zinc/23/68/46/201236846.db2.gz UEDDKRYXIAPOLE-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236782 201257956 /nfs/dbraw/zinc/25/79/56/201257956.db2.gz KRAQMWARQOSHDK-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000435881479 201292199 /nfs/dbraw/zinc/29/21/99/201292199.db2.gz BHCVGUAQYXUWQE-CYBMUJFWSA-N 2 1 241.379 0.393 20 0 BCADMP C[NH2+]CCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000435876020 201293923 /nfs/dbraw/zinc/29/39/23/201293923.db2.gz GJLICEBSXIJROR-NSHDSACASA-N 2 1 222.336 0.819 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000155684947 201346410 /nfs/dbraw/zinc/34/64/10/201346410.db2.gz RAIPGGPAACBXRA-NEPJUHHUSA-N 2 1 222.336 0.813 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630388759 364105146 /nfs/dbraw/zinc/10/51/46/364105146.db2.gz KZXONUAEPVHDKC-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000630388759 364105150 /nfs/dbraw/zinc/10/51/50/364105150.db2.gz KZXONUAEPVHDKC-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332036624 181357763 /nfs/dbraw/zinc/35/77/63/181357763.db2.gz SUWZQBHLVDHWAC-DTWKUNHWSA-N 2 1 221.295 0.830 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000614979979 364268728 /nfs/dbraw/zinc/26/87/28/364268728.db2.gz YIPMTCIXJMZDJL-NSHDSACASA-N 2 1 241.379 0.926 20 0 BCADMP CC(C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630585763 364293322 /nfs/dbraw/zinc/29/33/22/364293322.db2.gz HIBQRQVOTGGTHM-UHFFFAOYSA-N 2 1 237.351 0.825 20 0 BCADMP CC[NH+](CC)Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000630597124 364312337 /nfs/dbraw/zinc/31/23/37/364312337.db2.gz WHDLPZMHKBAUBB-NSHDSACASA-N 2 1 223.324 0.654 20 0 BCADMP CC[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000135807948 364450581 /nfs/dbraw/zinc/45/05/81/364450581.db2.gz YNUOFJHDMOTTPY-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308749763 541367349 /nfs/dbraw/zinc/36/73/49/541367349.db2.gz TWAQTGKVONLSQZ-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308749763 541367352 /nfs/dbraw/zinc/36/73/52/541367352.db2.gz TWAQTGKVONLSQZ-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP [NH3+]CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773967 181367059 /nfs/dbraw/zinc/36/70/59/181367059.db2.gz QBSVPYRWUXJCSE-QJPTWQEYSA-N 2 1 237.347 0.278 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000573499392 364848219 /nfs/dbraw/zinc/84/82/19/364848219.db2.gz TYYAWWDWFYKARQ-WOPDTQHZSA-N 3 1 229.368 0.016 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000573499392 364848222 /nfs/dbraw/zinc/84/82/22/364848222.db2.gz TYYAWWDWFYKARQ-WOPDTQHZSA-N 3 1 229.368 0.016 20 0 BCADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328187965 364817220 /nfs/dbraw/zinc/81/72/20/364817220.db2.gz OPDRJIUDXFFHGY-QJPTWQEYSA-N 2 1 212.337 0.961 20 0 BCADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328187965 364817225 /nfs/dbraw/zinc/81/72/25/364817225.db2.gz OPDRJIUDXFFHGY-QJPTWQEYSA-N 2 1 212.337 0.961 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000573485988 364844458 /nfs/dbraw/zinc/84/44/58/364844458.db2.gz TZBHIPHSHLAJMG-LBPRGKRZSA-N 2 1 239.363 0.753 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000573485988 364844460 /nfs/dbraw/zinc/84/44/60/364844460.db2.gz TZBHIPHSHLAJMG-LBPRGKRZSA-N 2 1 239.363 0.753 20 0 BCADMP COC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069730088 541386281 /nfs/dbraw/zinc/38/62/81/541386281.db2.gz VBCTXFZMPWCSAU-VIFPVBQESA-N 2 1 214.309 0.609 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1[NH3+] ZINC000328525609 364866167 /nfs/dbraw/zinc/86/61/67/364866167.db2.gz UAJRZGYJBNHKJC-WRWGMCAJSA-N 2 1 212.337 0.817 20 0 BCADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000573685010 364892176 /nfs/dbraw/zinc/89/21/76/364892176.db2.gz UPRVKOURFFPXDA-IUCAKERBSA-N 2 1 238.339 0.330 20 0 BCADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C ZINC000162174190 541446799 /nfs/dbraw/zinc/44/67/99/541446799.db2.gz PECIJZIQCARMPP-JQWIXIFHSA-N 2 1 241.379 0.926 20 0 BCADMP CCOCC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000574445170 365064202 /nfs/dbraw/zinc/06/42/02/365064202.db2.gz SHFVXRMAHHJRTN-LBPRGKRZSA-N 2 1 241.335 0.569 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284207 365029789 /nfs/dbraw/zinc/02/97/89/365029789.db2.gz PGNSQXUNFJHCHB-GRYCIOLGSA-N 2 1 214.353 0.935 20 0 BCADMP Cc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000574289804 365030992 /nfs/dbraw/zinc/03/09/92/365030992.db2.gz AJXPSLWNIRKKER-MNOVXSKESA-N 2 1 246.314 0.138 20 0 BCADMP CC[NH2+]CCCNC(=O)c1csc(C[NH3+])n1 ZINC000574756216 365136979 /nfs/dbraw/zinc/13/69/79/365136979.db2.gz PFQHLRYPNSLTQB-UHFFFAOYSA-N 2 1 242.348 0.331 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000357076271 181399463 /nfs/dbraw/zinc/39/94/63/181399463.db2.gz IIZDTZJMPZOKAL-UHFFFAOYSA-N 2 1 236.315 0.726 20 0 BCADMP C[N@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689497 365121087 /nfs/dbraw/zinc/12/10/87/365121087.db2.gz JVKNFRXJFDQDJP-SDDRHHMPSA-N 2 1 237.347 0.149 20 0 BCADMP CC(C)CC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000574876539 365157070 /nfs/dbraw/zinc/15/70/70/365157070.db2.gz ASJKYMFFXDADNC-RYUDHWBXSA-N 2 1 232.368 0.296 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCSC(C)(C)C1 ZINC000574881133 365166688 /nfs/dbraw/zinc/16/66/88/365166688.db2.gz CMLHMYGNMMBKRV-NSHDSACASA-N 2 1 232.393 0.784 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000574881842 365167890 /nfs/dbraw/zinc/16/78/90/365167890.db2.gz WFTGHICWPNVIDQ-KXUCPTDWSA-N 2 1 223.320 0.077 20 0 BCADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C ZINC000171377973 365195125 /nfs/dbraw/zinc/19/51/25/365195125.db2.gz KZOZWUJURTVQFS-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[NH+](C)C ZINC000171377973 365195129 /nfs/dbraw/zinc/19/51/29/365195129.db2.gz KZOZWUJURTVQFS-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179216 193039652 /nfs/dbraw/zinc/03/96/52/193039652.db2.gz YTGBDQPHAHTJKE-GHMZBOCLSA-N 2 1 225.336 0.339 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CC[NH2+]1 ZINC000444265737 193043550 /nfs/dbraw/zinc/04/35/50/193043550.db2.gz RCRWWVRIJJELOD-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000444266329 193043648 /nfs/dbraw/zinc/04/36/48/193043648.db2.gz DIBKBRWGGPKJFU-UTUOFQBUSA-N 2 1 239.363 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000575194471 365236890 /nfs/dbraw/zinc/23/68/90/365236890.db2.gz IRENFVKOLISRQS-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000575194471 365236898 /nfs/dbraw/zinc/23/68/98/365236898.db2.gz IRENFVKOLISRQS-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000575194471 365236904 /nfs/dbraw/zinc/23/69/04/365236904.db2.gz IRENFVKOLISRQS-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000575194472 365236962 /nfs/dbraw/zinc/23/69/62/365236962.db2.gz IRENFVKOLISRQS-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000575194472 365236966 /nfs/dbraw/zinc/23/69/66/365236966.db2.gz IRENFVKOLISRQS-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000575194472 365236973 /nfs/dbraw/zinc/23/69/73/365236973.db2.gz IRENFVKOLISRQS-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312997 365285115 /nfs/dbraw/zinc/28/51/15/365285115.db2.gz RDIPTFSMVHCITG-ZDUSSCGKSA-N 3 1 225.380 0.917 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)CC ZINC000379829931 365287040 /nfs/dbraw/zinc/28/70/40/365287040.db2.gz ZQTPPGVRWORYGK-SNVBAGLBSA-N 2 1 211.309 0.758 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@H+](C)CC ZINC000379829931 365287050 /nfs/dbraw/zinc/28/70/50/365287050.db2.gz ZQTPPGVRWORYGK-SNVBAGLBSA-N 2 1 211.309 0.758 20 0 BCADMP [NH3+]Cc1nc(COc2cccc(C[NH3+])c2)no1 ZINC000575401868 365309718 /nfs/dbraw/zinc/30/97/18/365309718.db2.gz QWTLVUSWUSRSGP-UHFFFAOYSA-N 2 1 234.259 0.566 20 0 BCADMP CC[C@H](CCO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379851736 365317301 /nfs/dbraw/zinc/31/73/01/365317301.db2.gz KNOMUHATHGGSFQ-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP CC[C@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379851736 365317305 /nfs/dbraw/zinc/31/73/05/365317305.db2.gz KNOMUHATHGGSFQ-DGCLKSJQSA-N 2 1 244.379 0.440 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000575803638 365367846 /nfs/dbraw/zinc/36/78/46/365367846.db2.gz VOFPLABNOALCCI-FRRDWIJNSA-N 2 1 241.379 0.389 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000575803640 365368218 /nfs/dbraw/zinc/36/82/18/365368218.db2.gz VOFPLABNOALCCI-UPJWGTAASA-N 2 1 241.379 0.389 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989075 365437176 /nfs/dbraw/zinc/43/71/76/365437176.db2.gz NOONYBGDYKDEAC-NEPJUHHUSA-N 2 1 211.353 0.527 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000575987342 365437743 /nfs/dbraw/zinc/43/77/43/365437743.db2.gz ORCWXMHIEPFXCY-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCNC(C)=O)C1 ZINC000173919254 365456568 /nfs/dbraw/zinc/45/65/68/365456568.db2.gz QIXPXSYLVSJGNB-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCNC(C)=O)C1 ZINC000173919254 365456570 /nfs/dbraw/zinc/45/65/70/365456570.db2.gz QIXPXSYLVSJGNB-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCNC(C)=O)C1 ZINC000173919254 365456574 /nfs/dbraw/zinc/45/65/74/365456574.db2.gz QIXPXSYLVSJGNB-ZDUSSCGKSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCNC(C)=O)C1 ZINC000173919267 365456849 /nfs/dbraw/zinc/45/68/49/365456849.db2.gz QIXPXSYLVSJGNB-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCNC(C)=O)C1 ZINC000173919267 365456856 /nfs/dbraw/zinc/45/68/56/365456856.db2.gz QIXPXSYLVSJGNB-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCNC(C)=O)C1 ZINC000173919267 365456862 /nfs/dbraw/zinc/45/68/62/365456862.db2.gz QIXPXSYLVSJGNB-CYBMUJFWSA-N 2 1 241.379 0.786 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000576203729 365519876 /nfs/dbraw/zinc/51/98/76/365519876.db2.gz GMMASIHDBFFYNA-NWDGAFQWSA-N 2 1 239.319 0.273 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1COC[C@H]1O ZINC000576203729 365519879 /nfs/dbraw/zinc/51/98/79/365519879.db2.gz GMMASIHDBFFYNA-NWDGAFQWSA-N 2 1 239.319 0.273 20 0 BCADMP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156091663 541484996 /nfs/dbraw/zinc/48/49/96/541484996.db2.gz DNJMYYOWMSOZPY-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP CC[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000579730033 366996577 /nfs/dbraw/zinc/99/65/77/366996577.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579730033 366996579 /nfs/dbraw/zinc/99/65/79/366996579.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP CC[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000579730033 366996583 /nfs/dbraw/zinc/99/65/83/366996583.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 2 1 227.352 0.396 20 0 BCADMP NC1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000580834735 367182238 /nfs/dbraw/zinc/18/22/38/367182238.db2.gz VMDUEASOPBZJSO-LLVKDONJSA-N 2 1 211.353 0.847 20 0 BCADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCOCC[NH3+] ZINC000380547776 367238193 /nfs/dbraw/zinc/23/81/93/367238193.db2.gz XTSFRDXPGWYJQW-ZJUUUORDSA-N 2 1 202.298 0.071 20 0 BCADMP C[C@H]1OCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000380547763 367238253 /nfs/dbraw/zinc/23/82/53/367238253.db2.gz XTSFRDXPGWYJQW-VHSXEESVSA-N 2 1 202.298 0.071 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN(CCOC)C1CC1 ZINC000381072050 367346918 /nfs/dbraw/zinc/34/69/18/367346918.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 1 230.352 0.410 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](O)[C@H](C)C1 ZINC000381084340 367348111 /nfs/dbraw/zinc/34/81/11/367348111.db2.gz SIJGZIDUHOKPNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000381084340 367348116 /nfs/dbraw/zinc/34/81/16/367348116.db2.gz SIJGZIDUHOKPNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000381084340 367348123 /nfs/dbraw/zinc/34/81/23/367348123.db2.gz SIJGZIDUHOKPNS-WOPDTQHZSA-N 2 1 230.352 0.002 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C(C2CC2)C2CC2)C1 ZINC000381432864 367402754 /nfs/dbraw/zinc/40/27/54/367402754.db2.gz BXXISOLWDGPOOY-CYBMUJFWSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C(C2CC2)C2CC2)C1 ZINC000381432864 367402758 /nfs/dbraw/zinc/40/27/58/367402758.db2.gz BXXISOLWDGPOOY-CYBMUJFWSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCOC1)C1CC1 ZINC000381245562 367370995 /nfs/dbraw/zinc/37/09/95/367370995.db2.gz NCIWFSKTSKEYHD-JQWIXIFHSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCOC1)C1CC1 ZINC000381245562 367371001 /nfs/dbraw/zinc/37/10/01/367371001.db2.gz NCIWFSKTSKEYHD-JQWIXIFHSA-N 2 1 228.336 0.210 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@@H+](C)C(C)(C)C ZINC000382101931 367485978 /nfs/dbraw/zinc/48/59/78/367485978.db2.gz IVWVSJIJDHOJBV-LLVKDONJSA-N 2 1 232.368 0.656 20 0 BCADMP C[C@@H]1CC[N@H+](CCN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000381780572 367456479 /nfs/dbraw/zinc/45/64/79/367456479.db2.gz XUUJTEFXQZDBDX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000381780572 367456484 /nfs/dbraw/zinc/45/64/84/367456484.db2.gz XUUJTEFXQZDBDX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000381780572 367456490 /nfs/dbraw/zinc/45/64/90/367456490.db2.gz XUUJTEFXQZDBDX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000381780572 367456495 /nfs/dbraw/zinc/45/64/95/367456495.db2.gz XUUJTEFXQZDBDX-JHJVBQTASA-N 2 1 225.380 0.868 20 0 BCADMP CCOCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000581493729 367522762 /nfs/dbraw/zinc/52/27/62/367522762.db2.gz GUELZWSRBUTYKL-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000382925353 367569287 /nfs/dbraw/zinc/56/92/87/367569287.db2.gz DFWFGVXOGRFYDN-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000382976420 367579123 /nfs/dbraw/zinc/57/91/23/367579123.db2.gz SPOYODNJHOZELX-JBLDHEPKSA-N 2 1 239.363 0.726 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000383496672 367628867 /nfs/dbraw/zinc/62/88/67/367628867.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000383496672 367628870 /nfs/dbraw/zinc/62/88/70/367628870.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH2+]C1CC1)C1CC1 ZINC000383329794 367613401 /nfs/dbraw/zinc/61/34/01/367613401.db2.gz KAEHSKZKHJRCNP-JTQLQIEISA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCO)CC1 ZINC000581615835 367635945 /nfs/dbraw/zinc/63/59/45/367635945.db2.gz UOOLLKMIQQFSIG-UHFFFAOYSA-N 2 1 230.352 0.194 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000383758617 367651338 /nfs/dbraw/zinc/65/13/38/367651338.db2.gz LBTZIQDIQYUVQZ-MDZLAQPJSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000383758617 367651340 /nfs/dbraw/zinc/65/13/40/367651340.db2.gz LBTZIQDIQYUVQZ-MDZLAQPJSA-N 2 1 242.363 0.599 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384790703 367733455 /nfs/dbraw/zinc/73/34/55/367733455.db2.gz PUGDXPWBDHNSBO-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]1 ZINC000384840650 367741959 /nfs/dbraw/zinc/74/19/59/367741959.db2.gz SZSQZGSEQNWFMN-OUAUKWLOSA-N 2 1 223.320 0.091 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000581887139 367878444 /nfs/dbraw/zinc/87/84/44/367878444.db2.gz FXNYITFFBMHSPI-GHMZBOCLSA-N 2 1 227.352 0.428 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000581882740 367873598 /nfs/dbraw/zinc/87/35/98/367873598.db2.gz MFFHHBXQTYGNQS-VXGBXAGGSA-N 2 1 239.319 0.585 20 0 BCADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385395748 367825356 /nfs/dbraw/zinc/82/53/56/367825356.db2.gz UNYCCLAANBUHCD-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385395748 367825362 /nfs/dbraw/zinc/82/53/62/367825362.db2.gz UNYCCLAANBUHCD-TUAOUCFPSA-N 2 1 210.321 0.707 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190355 326009254 /nfs/dbraw/zinc/00/92/54/326009254.db2.gz TYRLZXOOZXCAMB-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H](Cc1nc(C[NH3+])no1)C1CC[NH2+]CC1 ZINC000566214840 326015423 /nfs/dbraw/zinc/01/54/23/326015423.db2.gz BZSMDOSDXDYASQ-QMMMGPOBSA-N 2 1 224.308 0.707 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386439346 367972618 /nfs/dbraw/zinc/97/26/18/367972618.db2.gz MOPMBSNGVNKQJW-GHMZBOCLSA-N 2 1 241.379 0.879 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386439357 367972682 /nfs/dbraw/zinc/97/26/82/367972682.db2.gz MOPMBSNGVNKQJW-QWRGUYRKSA-N 2 1 241.379 0.879 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386439359 367973234 /nfs/dbraw/zinc/97/32/34/367973234.db2.gz MOPMBSNGVNKQJW-WDEREUQCSA-N 2 1 241.379 0.879 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386439347 367973288 /nfs/dbraw/zinc/97/32/88/367973288.db2.gz MOPMBSNGVNKQJW-MNOVXSKESA-N 2 1 241.379 0.879 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615513606 368086266 /nfs/dbraw/zinc/08/62/66/368086266.db2.gz VNQCEBGXWINHCD-UHFFFAOYSA-N 2 1 227.352 0.347 20 0 BCADMP C[NH+](C)CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457040323 203003966 /nfs/dbraw/zinc/00/39/66/203003966.db2.gz FJJMPWHHLFVDME-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457206764 203019222 /nfs/dbraw/zinc/01/92/22/203019222.db2.gz LYGSSSSVYQYQFJ-UHFFFAOYSA-N 2 1 229.368 0.785 20 0 BCADMP Cc1nccnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000631821333 368972366 /nfs/dbraw/zinc/97/23/66/368972366.db2.gz VKJLVRGCZZRISD-SNVBAGLBSA-N 2 1 206.293 0.566 20 0 BCADMP Cc1nccnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000631821333 368972369 /nfs/dbraw/zinc/97/23/69/368972369.db2.gz VKJLVRGCZZRISD-SNVBAGLBSA-N 2 1 206.293 0.566 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631822332 368976042 /nfs/dbraw/zinc/97/60/42/368976042.db2.gz ZNWDNMJVARYKHA-GMTAPVOTSA-N 2 1 235.335 0.435 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459043888 203227231 /nfs/dbraw/zinc/22/72/31/203227231.db2.gz RAVJOWAOOAOQKB-NSHDSACASA-N 2 1 242.367 0.284 20 0 BCADMP COCC[N@H+]1CC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000567639277 326236709 /nfs/dbraw/zinc/23/67/09/326236709.db2.gz DHTVFERFWOMCCQ-CYBMUJFWSA-N 2 1 243.395 0.685 20 0 BCADMP COCCN1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1 ZINC000567639277 326236710 /nfs/dbraw/zinc/23/67/10/326236710.db2.gz DHTVFERFWOMCCQ-CYBMUJFWSA-N 2 1 243.395 0.685 20 0 BCADMP CCNC(=O)C(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000459602159 203313825 /nfs/dbraw/zinc/31/38/25/203313825.db2.gz YJPJBWWHLMCDDW-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CCNC(=O)C(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000459602159 203313828 /nfs/dbraw/zinc/31/38/28/203313828.db2.gz YJPJBWWHLMCDDW-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000631841758 369358210 /nfs/dbraw/zinc/35/82/10/369358210.db2.gz PHODGROSMMTJIE-GXFFZTMASA-N 2 1 247.342 0.812 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852597 369418958 /nfs/dbraw/zinc/41/89/58/369418958.db2.gz XFCOCJFYSWSDTC-UPJWGTAASA-N 2 1 239.363 0.143 20 0 BCADMP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2OC)CC1 ZINC000459759679 203357940 /nfs/dbraw/zinc/35/79/40/203357940.db2.gz ROQJRDRVEZIYDE-OLZOCXBDSA-N 2 1 242.363 0.864 20 0 BCADMP OCC[NH2+]C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000631862271 369486583 /nfs/dbraw/zinc/48/65/83/369486583.db2.gz NOFQFXIHLJPEQQ-ZDUSSCGKSA-N 2 1 242.363 0.602 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000631862255 369486790 /nfs/dbraw/zinc/48/67/90/369486790.db2.gz NMCJLPGFWAYSFK-IJLUTSLNSA-N 2 1 227.352 0.129 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000631862255 369486791 /nfs/dbraw/zinc/48/67/91/369486791.db2.gz NMCJLPGFWAYSFK-IJLUTSLNSA-N 2 1 227.352 0.129 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000459826486 203376346 /nfs/dbraw/zinc/37/63/46/203376346.db2.gz MFFHHBXQTYGNQS-NWDGAFQWSA-N 2 1 239.319 0.585 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000459830184 203376698 /nfs/dbraw/zinc/37/66/98/203376698.db2.gz QJRQUVUEIXCZNS-GRYCIOLGSA-N 2 1 228.336 0.474 20 0 BCADMP CO[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000459830184 203376701 /nfs/dbraw/zinc/37/67/01/203376701.db2.gz QJRQUVUEIXCZNS-GRYCIOLGSA-N 2 1 228.336 0.474 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165319772 203382910 /nfs/dbraw/zinc/38/29/10/203382910.db2.gz GIGLMGBJAUIDLG-NWDGAFQWSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H](C)C[NH+](C)C ZINC000166146013 203388210 /nfs/dbraw/zinc/38/82/10/203388210.db2.gz YKQNCPOUCVIHFJ-WOPDTQHZSA-N 2 1 229.368 0.293 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC000619895610 369628428 /nfs/dbraw/zinc/62/84/28/369628428.db2.gz VSPGOVPGGANZON-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000619898596 369630221 /nfs/dbraw/zinc/63/02/21/369630221.db2.gz LDBHEMKUCNTDOR-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000619898596 369630225 /nfs/dbraw/zinc/63/02/25/369630225.db2.gz LDBHEMKUCNTDOR-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000619898155 369630239 /nfs/dbraw/zinc/63/02/39/369630239.db2.gz FBSTYSGTGDGQNZ-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000619898155 369630245 /nfs/dbraw/zinc/63/02/45/369630245.db2.gz FBSTYSGTGDGQNZ-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000619898155 369630247 /nfs/dbraw/zinc/63/02/47/369630247.db2.gz FBSTYSGTGDGQNZ-VXGBXAGGSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000620321928 369833789 /nfs/dbraw/zinc/83/37/89/369833789.db2.gz ZLGVMLJDINYZTB-LLVKDONJSA-N 2 1 242.367 0.332 20 0 BCADMP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758708 370123862 /nfs/dbraw/zinc/12/38/62/370123862.db2.gz FQPCSAFEWYSKEE-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758708 370123864 /nfs/dbraw/zinc/12/38/64/370123864.db2.gz FQPCSAFEWYSKEE-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784793 370537679 /nfs/dbraw/zinc/53/76/79/370537679.db2.gz VEIQCZOPVKQZQT-GVXVVHGQSA-N 2 1 237.347 0.420 20 0 BCADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784793 370537683 /nfs/dbraw/zinc/53/76/83/370537683.db2.gz VEIQCZOPVKQZQT-GVXVVHGQSA-N 2 1 237.347 0.420 20 0 BCADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC000621782507 370532687 /nfs/dbraw/zinc/53/26/87/370532687.db2.gz PVTNDFCIIWNMTK-WOPDTQHZSA-N 2 1 210.321 0.836 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](O)CC ZINC000313115364 370567737 /nfs/dbraw/zinc/56/77/37/370567737.db2.gz PRVOQQKMOLFPLU-UPJWGTAASA-N 2 1 244.379 0.581 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](O)CC ZINC000313115364 370567742 /nfs/dbraw/zinc/56/77/42/370567742.db2.gz PRVOQQKMOLFPLU-UPJWGTAASA-N 2 1 244.379 0.581 20 0 BCADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1ccc[nH]c1=O ZINC000623777393 371089754 /nfs/dbraw/zinc/08/97/54/371089754.db2.gz CQVHABQXDJTQDU-KOLCDFICSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccc[nH]c1=O ZINC000623777393 371089758 /nfs/dbraw/zinc/08/97/58/371089758.db2.gz CQVHABQXDJTQDU-KOLCDFICSA-N 2 1 221.304 0.827 20 0 BCADMP C[C@H]1C[C@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228538 371417698 /nfs/dbraw/zinc/41/76/98/371417698.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@H](NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228538 371417703 /nfs/dbraw/zinc/41/77/03/371417703.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 1 241.379 0.125 20 0 BCADMP C[C@H]1C[C@H](NCC[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000624228538 371417704 /nfs/dbraw/zinc/41/77/04/371417704.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 1 241.379 0.125 20 0 BCADMP CC(C)(C)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000162362113 371665727 /nfs/dbraw/zinc/66/57/27/371665727.db2.gz XGYWXDLMJGVXAN-PHIMTYICSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823453 372600254 /nfs/dbraw/zinc/60/02/54/372600254.db2.gz FDFOJRNHSOAOMH-NEPJUHHUSA-N 2 1 249.362 0.839 20 0 BCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C[NH+](C)C ZINC000171374432 372563274 /nfs/dbraw/zinc/56/32/74/372563274.db2.gz PUKSOFCTHXSMLA-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000171377333 372563426 /nfs/dbraw/zinc/56/34/26/372563426.db2.gz QANWCVKFCBFAKD-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000171377333 372563427 /nfs/dbraw/zinc/56/34/27/372563427.db2.gz QANWCVKFCBFAKD-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631822451 372599218 /nfs/dbraw/zinc/59/92/18/372599218.db2.gz DJRLOQLKAGJWHT-OUAUKWLOSA-N 2 1 235.335 0.435 20 0 BCADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827558 372607544 /nfs/dbraw/zinc/60/75/44/372607544.db2.gz QKJJMZPPDHETDZ-NXEZZACHSA-N 2 1 237.351 0.728 20 0 BCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827788 372607681 /nfs/dbraw/zinc/60/76/81/372607681.db2.gz WTMVAZRVPALQRV-DCQANWLSSA-N 2 1 249.362 0.742 20 0 BCADMP C[C@H]1C[C@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859525 372657849 /nfs/dbraw/zinc/65/78/49/372657849.db2.gz BMTVRKKUNFICRQ-JQWIXIFHSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859525 372657854 /nfs/dbraw/zinc/65/78/54/372657854.db2.gz BMTVRKKUNFICRQ-JQWIXIFHSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000631859525 372657861 /nfs/dbraw/zinc/65/78/61/372657861.db2.gz BMTVRKKUNFICRQ-JQWIXIFHSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC000631859525 372657866 /nfs/dbraw/zinc/65/78/66/372657866.db2.gz BMTVRKKUNFICRQ-JQWIXIFHSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000631830041 372612822 /nfs/dbraw/zinc/61/28/22/372612822.db2.gz HWNIDJOIWQNUKJ-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP CC(C)(O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833791 372619058 /nfs/dbraw/zinc/61/90/58/372619058.db2.gz IXQQNHSFMVFZAR-JTQLQIEISA-N 2 1 200.326 0.961 20 0 BCADMP COC[C@@H](C[N@@H+]1CCCCC[C@@H]([NH3+])C1)OC ZINC000631835011 372620523 /nfs/dbraw/zinc/62/05/23/372620523.db2.gz KIVRXQSDZNREEV-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP COC[C@@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)OC ZINC000631835011 372620527 /nfs/dbraw/zinc/62/05/27/372620527.db2.gz KIVRXQSDZNREEV-VXGBXAGGSA-N 2 1 230.352 0.851 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836948 372625888 /nfs/dbraw/zinc/62/58/88/372625888.db2.gz KCDNXTGIEVPUGD-GRYCIOLGSA-N 3 1 211.353 0.513 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840388 372636320 /nfs/dbraw/zinc/63/63/20/372636320.db2.gz BVACNBHYYYBLEB-GRYCIOLGSA-N 2 1 241.379 0.674 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840388 372636326 /nfs/dbraw/zinc/63/63/26/372636326.db2.gz BVACNBHYYYBLEB-GRYCIOLGSA-N 2 1 241.379 0.674 20 0 BCADMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000631842576 372640702 /nfs/dbraw/zinc/64/07/02/372640702.db2.gz CCIZUGICIZUQCH-GHMZBOCLSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000631842576 372640705 /nfs/dbraw/zinc/64/07/05/372640705.db2.gz CCIZUGICIZUQCH-GHMZBOCLSA-N 2 1 239.363 0.572 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843203 372641270 /nfs/dbraw/zinc/64/12/70/372641270.db2.gz KKXWFUZUQRUMQM-NXEZZACHSA-N 2 1 213.325 0.038 20 0 BCADMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843203 372641273 /nfs/dbraw/zinc/64/12/73/372641273.db2.gz KKXWFUZUQRUMQM-NXEZZACHSA-N 2 1 213.325 0.038 20 0 BCADMP C[N@H+](C[C@@H]1CCc2ncnn21)[C@@H](C[NH3+])C1CC1 ZINC000631826844 372605963 /nfs/dbraw/zinc/60/59/63/372605963.db2.gz YHHBTCUEPNIJOW-QWRGUYRKSA-N 2 1 235.335 0.435 20 0 BCADMP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H](C[NH3+])C1CC1 ZINC000631826844 372605966 /nfs/dbraw/zinc/60/59/66/372605966.db2.gz YHHBTCUEPNIJOW-QWRGUYRKSA-N 2 1 235.335 0.435 20 0 BCADMP Cc1cnn(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631866944 372667891 /nfs/dbraw/zinc/66/78/91/372667891.db2.gz DQIXBPXKTREUQC-OLZOCXBDSA-N 2 1 234.347 0.923 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889124 372684793 /nfs/dbraw/zinc/68/47/93/372684793.db2.gz GCAHCJQGOILUMJ-NWDGAFQWSA-N 3 1 227.352 0.036 20 0 BCADMP [NH3+]CCOCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889124 372684799 /nfs/dbraw/zinc/68/47/99/372684799.db2.gz GCAHCJQGOILUMJ-NWDGAFQWSA-N 2 1 227.352 0.036 20 0 BCADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000042170235 182017464 /nfs/dbraw/zinc/01/74/64/182017464.db2.gz CZJAVFMWBAHKMF-NSHDSACASA-N 2 1 237.347 0.435 20 0 BCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+](C)C ZINC000245397756 373274845 /nfs/dbraw/zinc/27/48/45/373274845.db2.gz QHLXFNIOFVZSIA-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+](C)C ZINC000245397756 373274855 /nfs/dbraw/zinc/27/48/55/373274855.db2.gz QHLXFNIOFVZSIA-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CCCCOCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000040507195 373371305 /nfs/dbraw/zinc/37/13/05/373371305.db2.gz ZWSPTCQWVUAWAO-CYBMUJFWSA-N 2 1 244.379 0.849 20 0 BCADMP CC(C)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@H+]1C ZINC000634300790 374129331 /nfs/dbraw/zinc/12/93/31/374129331.db2.gz LVBZAGQTGILHBB-LLVKDONJSA-N 2 1 239.363 0.395 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449599825 206099585 /nfs/dbraw/zinc/09/95/85/206099585.db2.gz HRVNKSKRYZKYNB-OUAUKWLOSA-N 2 1 227.352 0.713 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000166638202 206142334 /nfs/dbraw/zinc/14/23/34/206142334.db2.gz LQAZFINVPYUEBN-CYBMUJFWSA-N 2 1 241.379 0.834 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C(C)C ZINC000167203368 206143808 /nfs/dbraw/zinc/14/38/08/206143808.db2.gz LOYCXKUTAMPEHW-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP O=C1CCN(CCn2ccnc2)CCN1 ZINC000328675471 183026402 /nfs/dbraw/zinc/02/64/02/183026402.db2.gz QVJMGMRSUUCOFK-UHFFFAOYSA-N 2 1 208.265 0.545 20 0 BCADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CC)C[C@@H]1C ZINC000341772340 169069019 /nfs/dbraw/zinc/06/90/19/169069019.db2.gz LTJCSKKJJXHKFC-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC)C[C@@H]1C ZINC000341772340 169069021 /nfs/dbraw/zinc/06/90/21/169069021.db2.gz LTJCSKKJJXHKFC-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000341772340 169069023 /nfs/dbraw/zinc/06/90/23/169069023.db2.gz LTJCSKKJJXHKFC-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341772340 169069024 /nfs/dbraw/zinc/06/90/24/169069024.db2.gz LTJCSKKJJXHKFC-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358534922 169069310 /nfs/dbraw/zinc/06/93/10/169069310.db2.gz MLNXESGXJVGNGX-LBPRGKRZSA-N 2 1 241.379 0.738 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC=CCC1 ZINC000357628013 169071767 /nfs/dbraw/zinc/07/17/67/169071767.db2.gz BSWQCHLLMNEQTB-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000357628013 169071769 /nfs/dbraw/zinc/07/17/69/169071769.db2.gz BSWQCHLLMNEQTB-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000357628013 169071771 /nfs/dbraw/zinc/07/17/71/169071771.db2.gz BSWQCHLLMNEQTB-UHFFFAOYSA-N 2 1 239.363 0.706 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000359596432 169064065 /nfs/dbraw/zinc/06/40/65/169064065.db2.gz XSBYWTXMXRKRFP-UHFFFAOYSA-N 2 1 215.341 0.348 20 0 BCADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000357397422 169064340 /nfs/dbraw/zinc/06/43/40/169064340.db2.gz DVKIRTLVOHJFML-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000357397422 169064342 /nfs/dbraw/zinc/06/43/42/169064342.db2.gz DVKIRTLVOHJFML-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000357397422 169064343 /nfs/dbraw/zinc/06/43/43/169064343.db2.gz DVKIRTLVOHJFML-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC)CC1 ZINC000355635600 169066728 /nfs/dbraw/zinc/06/67/28/169066728.db2.gz JJPLEXCMWLRYJM-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC)CC1 ZINC000355635600 169066730 /nfs/dbraw/zinc/06/67/30/169066730.db2.gz JJPLEXCMWLRYJM-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC)CC1 ZINC000355635600 169066732 /nfs/dbraw/zinc/06/67/32/169066732.db2.gz JJPLEXCMWLRYJM-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000359258241 169067336 /nfs/dbraw/zinc/06/73/36/169067336.db2.gz DDNCIPAIZTUOKN-LBPRGKRZSA-N 2 1 241.379 0.881 20 0 BCADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@@H]2O)C1 ZINC000340292130 169078913 /nfs/dbraw/zinc/07/89/13/169078913.db2.gz RVSCWFVFVDFWCB-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@@H]2O)C1 ZINC000340292130 169078915 /nfs/dbraw/zinc/07/89/15/169078915.db2.gz RVSCWFVFVDFWCB-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000340292130 169078916 /nfs/dbraw/zinc/07/89/16/169078916.db2.gz RVSCWFVFVDFWCB-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@@H]2O)C1 ZINC000340292130 169078919 /nfs/dbraw/zinc/07/89/19/169078919.db2.gz RVSCWFVFVDFWCB-AVGNSLFASA-N 2 1 242.363 0.410 20 0 BCADMP CCC[N@H+](CC(=O)NC)CC1CC[NH2+]CC1 ZINC000043497669 169095444 /nfs/dbraw/zinc/09/54/44/169095444.db2.gz ORTSPYHTEACBIL-UHFFFAOYSA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226407776 169121387 /nfs/dbraw/zinc/12/13/87/169121387.db2.gz LWIKEFIPODYIHY-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP CCC[N@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000370783389 169193251 /nfs/dbraw/zinc/19/32/51/169193251.db2.gz XVJNHZIDNLMWEG-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134897 169200709 /nfs/dbraw/zinc/20/07/09/169200709.db2.gz KKPAKTYDPUGOCM-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236766406 169200747 /nfs/dbraw/zinc/20/07/47/169200747.db2.gz YSRAZLGDMHHHJJ-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122313177 169223932 /nfs/dbraw/zinc/22/39/32/169223932.db2.gz PFPZHDTWRXWVKG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122313177 169223933 /nfs/dbraw/zinc/22/39/33/169223933.db2.gz PFPZHDTWRXWVKG-UWVGGRQHSA-N 2 1 213.325 0.182 20 0 BCADMP CCCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626482 169221037 /nfs/dbraw/zinc/22/10/37/169221037.db2.gz WGGDVFWYOHILFK-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224885269 169245813 /nfs/dbraw/zinc/24/58/13/169245813.db2.gz JOVSHNVALMQTEF-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224885269 169245815 /nfs/dbraw/zinc/24/58/15/169245815.db2.gz JOVSHNVALMQTEF-GRYCIOLGSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250405412 169245820 /nfs/dbraw/zinc/24/58/20/169245820.db2.gz JOVSHNVALMQTEF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250405412 169245822 /nfs/dbraw/zinc/24/58/22/169245822.db2.gz JOVSHNVALMQTEF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695998 169246021 /nfs/dbraw/zinc/24/60/21/169246021.db2.gz JOVSHNVALMQTEF-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695998 169246024 /nfs/dbraw/zinc/24/60/24/169246024.db2.gz JOVSHNVALMQTEF-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000226338308 134360835 /nfs/dbraw/zinc/36/08/35/134360835.db2.gz BQUURSZIJJYVRS-NNYUYHANSA-N 2 1 214.353 0.933 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000226402086 134365254 /nfs/dbraw/zinc/36/52/54/134365254.db2.gz VQPMCPYJSVEYOT-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000226402086 134365255 /nfs/dbraw/zinc/36/52/55/134365255.db2.gz VQPMCPYJSVEYOT-NXEZZACHSA-N 2 1 213.325 0.276 20 0 BCADMP C[N@H+]1CCC[C@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000227332818 134377819 /nfs/dbraw/zinc/37/78/19/134377819.db2.gz WZHVFZNZYJITFH-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124600 383843221 /nfs/dbraw/zinc/84/32/21/383843221.db2.gz AAOWLZRTOJKGFQ-BBBLOLIVSA-N 2 1 243.376 0.235 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827024 383866280 /nfs/dbraw/zinc/86/62/80/383866280.db2.gz NZTPOASDDFSBCD-JTQLQIEISA-N 2 1 211.309 0.030 20 0 BCADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCOCC[NH3+])O1 ZINC000301051482 383881335 /nfs/dbraw/zinc/88/13/35/383881335.db2.gz UPCPDLTXURQSEE-GHMZBOCLSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCOCC[NH3+])O1 ZINC000301051484 383881622 /nfs/dbraw/zinc/88/16/22/383881622.db2.gz UPCPDLTXURQSEE-QWRGUYRKSA-N 2 1 216.325 0.461 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658164 383882062 /nfs/dbraw/zinc/88/20/62/383882062.db2.gz DTVKHXLHZDETBL-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCC[N@H+]1C ZINC000646876264 383894623 /nfs/dbraw/zinc/89/46/23/383894623.db2.gz WOWZXNVODQWFOR-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP Cn1c[nH+]cc1CCN1CCC[C@H]([NH3+])C1 ZINC000401745104 383900785 /nfs/dbraw/zinc/90/07/85/383900785.db2.gz ULGJTTUCDPPEFZ-JTQLQIEISA-N 2 1 208.309 0.386 20 0 BCADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000643542291 383959659 /nfs/dbraw/zinc/95/96/59/383959659.db2.gz YRAUPFOTBVKHOO-OLZOCXBDSA-N 2 1 225.380 0.914 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH3+] ZINC000648129664 384088999 /nfs/dbraw/zinc/08/89/99/384088999.db2.gz TYBXXUIDYFLPMZ-VHSXEESVSA-N 2 1 238.335 0.860 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000648127920 384056875 /nfs/dbraw/zinc/05/68/75/384056875.db2.gz OORPBVFTKBLXBW-NNYUYHANSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@H](CC(=O)N(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000530460257 384077464 /nfs/dbraw/zinc/07/74/64/384077464.db2.gz DASIIOPLVTYNNJ-SNVBAGLBSA-N 2 1 238.335 0.419 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC1CC1 ZINC000405263701 384100004 /nfs/dbraw/zinc/10/00/04/384100004.db2.gz QDTDOYSDTUHCNU-HGNGGELXSA-N 2 1 225.336 0.369 20 0 BCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000237400412 384171143 /nfs/dbraw/zinc/17/11/43/384171143.db2.gz NQZLXVBWFVNRDW-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000081069211 384180518 /nfs/dbraw/zinc/18/05/18/384180518.db2.gz ULDUAJMHCCCXMW-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000163243358 384188858 /nfs/dbraw/zinc/18/88/58/384188858.db2.gz KVIDNTHIHMHLKE-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000163243358 384188859 /nfs/dbraw/zinc/18/88/59/384188859.db2.gz KVIDNTHIHMHLKE-GHMZBOCLSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000163247482 384189670 /nfs/dbraw/zinc/18/96/70/384189670.db2.gz SWMKWZCZBIUQNE-ZWNOBZJWSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1SCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000132515354 384194043 /nfs/dbraw/zinc/19/40/43/384194043.db2.gz KYVKQRLFJKFRRX-VHSXEESVSA-N 2 1 218.366 0.788 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000132672931 384200423 /nfs/dbraw/zinc/20/04/23/384200423.db2.gz LFXSVXRBGWYPFQ-WOPDTQHZSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCOCC[NH3+] ZINC000132514760 384233559 /nfs/dbraw/zinc/23/35/59/384233559.db2.gz KYVKQRLFJKFRRX-ZJUUUORDSA-N 2 1 218.366 0.788 20 0 BCADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618504 384237918 /nfs/dbraw/zinc/23/79/18/384237918.db2.gz AUELBWBVOXBHMD-VXGBXAGGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626358 384246890 /nfs/dbraw/zinc/24/68/90/384246890.db2.gz YDPMESOZXZCGDM-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)([NH3+])CCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000648144597 384265724 /nfs/dbraw/zinc/26/57/24/384265724.db2.gz WWLXXSGSPRKJRV-GFCCVEGCSA-N 2 1 245.342 0.664 20 0 BCADMP C[C@@H]1CN(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000564986617 384306458 /nfs/dbraw/zinc/30/64/58/384306458.db2.gz AKVOKEAXAJQPCE-OLZOCXBDSA-N 2 1 241.379 0.378 20 0 BCADMP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336633830 384283184 /nfs/dbraw/zinc/28/31/84/384283184.db2.gz ULGWJOJYYIVYIV-BDAKNGLRSA-N 2 1 247.289 0.181 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228621263 384291919 /nfs/dbraw/zinc/29/19/19/384291919.db2.gz IIMMJBYBGQKDOM-XWLWVQCSSA-N 2 1 227.352 0.569 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773195 384294295 /nfs/dbraw/zinc/29/42/95/384294295.db2.gz NAVSNAVGFMAKOW-KXNHARMFSA-N 2 1 237.347 0.276 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335494403 384299514 /nfs/dbraw/zinc/29/95/14/384299514.db2.gz GAJMPEXXHBBXDP-NSHDSACASA-N 2 1 225.336 0.278 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH3+])[C@H](C)C1 ZINC000262651506 384340517 /nfs/dbraw/zinc/34/05/17/384340517.db2.gz ALVRUZXYEHKMES-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294504 384352792 /nfs/dbraw/zinc/35/27/92/384352792.db2.gz QLLQRKGMXHVZMR-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C ZINC000300354966 384353745 /nfs/dbraw/zinc/35/37/45/384353745.db2.gz LAJDIELQEJRPFV-NEPJUHHUSA-N 2 1 213.369 0.996 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300356264 384355538 /nfs/dbraw/zinc/35/55/38/384355538.db2.gz JFFGINSENRTGCI-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300356264 384355544 /nfs/dbraw/zinc/35/55/44/384355544.db2.gz JFFGINSENRTGCI-VHSXEESVSA-N 2 1 213.325 0.276 20 0 BCADMP COCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729518 384357549 /nfs/dbraw/zinc/35/75/49/384357549.db2.gz LTKWBUGQWYJTES-UHFFFAOYSA-N 2 1 229.368 0.202 20 0 BCADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000035139990 384401935 /nfs/dbraw/zinc/40/19/35/384401935.db2.gz PBLJIECMOOUWDD-VIFPVBQESA-N 2 1 213.325 0.323 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)C[C@H]1C[NH3+] ZINC000405540234 384412694 /nfs/dbraw/zinc/41/26/94/384412694.db2.gz RISUBHXXPKXTLS-FDYHWXHSSA-N 2 1 242.363 0.850 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000405541813 384417748 /nfs/dbraw/zinc/41/77/48/384417748.db2.gz SNLHWMNTXRMFDC-FRRDWIJNSA-N 2 1 242.363 0.851 20 0 BCADMP c1cnc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000403044765 384422305 /nfs/dbraw/zinc/42/23/05/384422305.db2.gz GTBDDVNVALCLOA-GHMZBOCLSA-N 2 1 218.304 0.170 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000566405035 384380722 /nfs/dbraw/zinc/38/07/22/384380722.db2.gz UEJSOCHXQURIGC-SECBINFHSA-N 2 1 249.305 0.476 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000248862954 384388075 /nfs/dbraw/zinc/38/80/75/384388075.db2.gz MOWZMTUENHNZKD-RYUDHWBXSA-N 2 1 241.379 0.962 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000082645450 384437508 /nfs/dbraw/zinc/43/75/08/384437508.db2.gz XYBLZQQHYSDWIU-GHMZBOCLSA-N 2 1 227.352 0.524 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361395401 384466508 /nfs/dbraw/zinc/46/65/08/384466508.db2.gz NVWJUFGCALOZQQ-UTUOFQBUSA-N 2 1 228.336 0.162 20 0 BCADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361395401 384466512 /nfs/dbraw/zinc/46/65/12/384466512.db2.gz NVWJUFGCALOZQQ-UTUOFQBUSA-N 2 1 228.336 0.162 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000335662922 384474294 /nfs/dbraw/zinc/47/42/94/384474294.db2.gz LUNQJMKHUOGWLK-SNVBAGLBSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249078915 384480963 /nfs/dbraw/zinc/48/09/63/384480963.db2.gz RIGSWVNLZOPRGP-BJDJZHNGSA-N 2 1 241.379 0.911 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249097074 384482812 /nfs/dbraw/zinc/48/28/12/384482812.db2.gz UFTBTDXPTRRSOQ-SRVKXCTJSA-N 2 1 241.379 0.770 20 0 BCADMP CC[N@@H+](CC(=O)N1CCC[NH+](C)CC1)C1CC1 ZINC000363518749 384484842 /nfs/dbraw/zinc/48/48/42/384484842.db2.gz ACVNXLPSMVQVDZ-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+](CC(=O)N1CCC[N@H+](C)CC1)C1CC1 ZINC000363518749 384484849 /nfs/dbraw/zinc/48/48/49/384484849.db2.gz ACVNXLPSMVQVDZ-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+](CC(=O)N1CCC[N@@H+](C)CC1)C1CC1 ZINC000363518749 384484856 /nfs/dbraw/zinc/48/48/56/384484856.db2.gz ACVNXLPSMVQVDZ-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP C[N@@H+](CCOCCO)C[C@H]1CCC[NH+](C)C1 ZINC000172585161 384498775 /nfs/dbraw/zinc/49/87/75/384498775.db2.gz NCCCRPQOBZKFQA-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP C[NH+](CCOCCO)C[C@H]1CCC[N@H+](C)C1 ZINC000172585161 384498777 /nfs/dbraw/zinc/49/87/77/384498777.db2.gz NCCCRPQOBZKFQA-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP C[NH+](CCOCCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000172585161 384498780 /nfs/dbraw/zinc/49/87/80/384498780.db2.gz NCCCRPQOBZKFQA-LBPRGKRZSA-N 2 1 230.352 0.269 20 0 BCADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH2+]C1 ZINC000085542380 384530082 /nfs/dbraw/zinc/53/00/82/384530082.db2.gz NROZDMVKNNRGNB-SDDRHHMPSA-N 2 1 210.321 0.849 20 0 BCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000236628653 384541787 /nfs/dbraw/zinc/54/17/87/384541787.db2.gz IEMZVEDCPAOTMG-NSHDSACASA-N 2 1 229.368 0.816 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639403 384543708 /nfs/dbraw/zinc/54/37/08/384543708.db2.gz BZDPNFHLYPCUBC-VWYCJHECSA-N 2 1 241.379 0.816 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000236649325 384543798 /nfs/dbraw/zinc/54/37/98/384543798.db2.gz WTWFPQUMMBQKAM-JTQLQIEISA-N 2 1 213.325 0.180 20 0 BCADMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000305945870 384558862 /nfs/dbraw/zinc/55/88/62/384558862.db2.gz CAIVOGQEQVVQDR-LLVKDONJSA-N 2 1 245.367 0.198 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236648136 384538795 /nfs/dbraw/zinc/53/87/95/384538795.db2.gz DIJJLRJPVZJVGB-NEPJUHHUSA-N 2 1 241.379 0.912 20 0 BCADMP CCN(CC(=O)N1CC(n2ccnc2)C1)C1CC1 ZINC000533548790 384540022 /nfs/dbraw/zinc/54/00/22/384540022.db2.gz OCDWJFCFUSIJJU-UHFFFAOYSA-N 2 1 248.330 0.751 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000236746103 384568003 /nfs/dbraw/zinc/56/80/03/384568003.db2.gz PPKJRIVXDSGXNJ-NEPJUHHUSA-N 2 1 241.379 0.818 20 0 BCADMP C[C@](C[NH3+])([NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000309796557 384616503 /nfs/dbraw/zinc/61/65/03/384616503.db2.gz QGZDOQNYQWCSOZ-SNVBAGLBSA-N 2 1 234.365 0.138 20 0 BCADMP CC(C)([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000040923615 384631089 /nfs/dbraw/zinc/63/10/89/384631089.db2.gz XVMCPHYJQZTEJK-SECBINFHSA-N 2 1 211.309 0.030 20 0 BCADMP c1ncn([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000647538211 384668363 /nfs/dbraw/zinc/66/83/63/384668363.db2.gz JCSDBFATADXDGK-RYUDHWBXSA-N 2 1 235.335 0.525 20 0 BCADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534048 384645883 /nfs/dbraw/zinc/64/58/83/384645883.db2.gz FKTPYXXGBGFUMF-STQMWFEESA-N 3 1 223.364 0.670 20 0 BCADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534048 384645888 /nfs/dbraw/zinc/64/58/88/384645888.db2.gz FKTPYXXGBGFUMF-STQMWFEESA-N 3 1 223.364 0.670 20 0 BCADMP C[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363599744 384650080 /nfs/dbraw/zinc/65/00/80/384650080.db2.gz GLURLAQGZJJBAI-QWRGUYRKSA-N 2 1 225.336 0.291 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363599741 384650233 /nfs/dbraw/zinc/65/02/33/384650233.db2.gz GLURLAQGZJJBAI-MNOVXSKESA-N 2 1 225.336 0.291 20 0 BCADMP CC(C)[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000007009109 384652810 /nfs/dbraw/zinc/65/28/10/384652810.db2.gz AEZQHPGRCRINOQ-NSHDSACASA-N 2 1 200.326 0.687 20 0 BCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000045135559 384662930 /nfs/dbraw/zinc/66/29/30/384662930.db2.gz BQSUHTRVJOCXCL-LLVKDONJSA-N 2 1 241.379 0.818 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395747 384681194 /nfs/dbraw/zinc/68/11/94/384681194.db2.gz MQOAUEWEEMPEBI-WDEREUQCSA-N 2 1 200.326 0.905 20 0 BCADMP C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932341 384720353 /nfs/dbraw/zinc/72/03/53/384720353.db2.gz MHILTEGARHRASF-KXUCPTDWSA-N 2 1 211.309 0.029 20 0 BCADMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000335028462 384776818 /nfs/dbraw/zinc/77/68/18/384776818.db2.gz LEYFCGXRRUNIMB-GXSJLCMTSA-N 2 1 225.336 0.276 20 0 BCADMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000335028462 384776824 /nfs/dbraw/zinc/77/68/24/384776824.db2.gz LEYFCGXRRUNIMB-GXSJLCMTSA-N 2 1 225.336 0.276 20 0 BCADMP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000647546848 384732863 /nfs/dbraw/zinc/73/28/63/384732863.db2.gz DHLZCDWZJQAELI-YVECIDJPSA-N 3 1 223.364 0.716 20 0 BCADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000647546652 384732885 /nfs/dbraw/zinc/73/28/85/384732885.db2.gz UIFAJRIUCNGLIO-FKJOKYEKSA-N 3 1 223.364 0.859 20 0 BCADMP CCCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546974 384733597 /nfs/dbraw/zinc/73/35/97/384733597.db2.gz IPRGBBRYBXFALX-YNEHKIRRSA-N 2 1 225.380 0.964 20 0 BCADMP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000647546985 384736874 /nfs/dbraw/zinc/73/68/74/384736874.db2.gz JLOBRQRQYKPOTH-NEPJUHHUSA-N 3 1 211.353 0.718 20 0 BCADMP COC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000126209825 384746455 /nfs/dbraw/zinc/74/64/55/384746455.db2.gz OVPIBZIKBFKPEM-CYBMUJFWSA-N 2 1 242.363 0.554 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H](CO)[C@@H]2CCCOC2)C1 ZINC000647551719 384754973 /nfs/dbraw/zinc/75/49/73/384754973.db2.gz FIUPMURVXOUUJL-UMSGYPCISA-N 2 1 242.363 0.362 20 0 BCADMP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nn1C ZINC000647552294 384757964 /nfs/dbraw/zinc/75/79/64/384757964.db2.gz PMMPTVSWNOQJDV-DTWKUNHWSA-N 2 1 210.325 0.944 20 0 BCADMP C[NH+]1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000309990289 384762398 /nfs/dbraw/zinc/76/23/98/384762398.db2.gz ZVXAMNCOIPKNFE-UHFFFAOYSA-N 2 1 223.364 0.932 20 0 BCADMP [NH3+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000335061032 384787991 /nfs/dbraw/zinc/78/79/91/384787991.db2.gz LFIFUMYHFZRNKW-LBPRGKRZSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335060337 384793241 /nfs/dbraw/zinc/79/32/41/384793241.db2.gz GDYZGQFFKMJZJX-LBPRGKRZSA-N 2 1 239.363 0.666 20 0 BCADMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361487041 384812638 /nfs/dbraw/zinc/81/26/38/384812638.db2.gz UANNNHDFMIUJHV-XQQFMLRXSA-N 2 1 244.379 0.704 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370785955 384859793 /nfs/dbraw/zinc/85/97/93/384859793.db2.gz GYXQOJUKGHBONQ-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP CO[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1OC ZINC000234812758 384867437 /nfs/dbraw/zinc/86/74/37/384867437.db2.gz QZCVMZJKKWAEHU-TXEJJXNPSA-N 2 1 228.336 0.332 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000086271853 384868632 /nfs/dbraw/zinc/86/86/32/384868632.db2.gz JYLYXHZQSDMBBJ-WDEREUQCSA-N 2 1 227.352 0.441 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000101957403 384904222 /nfs/dbraw/zinc/90/42/22/384904222.db2.gz KYBAHHWBSDQWLT-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH+](C)C ZINC000557466887 384958639 /nfs/dbraw/zinc/95/86/39/384958639.db2.gz BIWIICGPPHSUMI-QWRGUYRKSA-N 2 1 227.352 0.252 20 0 BCADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(N)=O)C1 ZINC000644522030 384926391 /nfs/dbraw/zinc/92/63/91/384926391.db2.gz UBMWRCFJYHIUBW-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739208 384937534 /nfs/dbraw/zinc/93/75/34/384937534.db2.gz DDHJVNVMDLZAAK-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CC[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739208 384937540 /nfs/dbraw/zinc/93/75/40/384937540.db2.gz DDHJVNVMDLZAAK-ZDUSSCGKSA-N 2 1 244.379 0.536 20 0 BCADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH3+] ZINC000647611018 384948154 /nfs/dbraw/zinc/94/81/54/384948154.db2.gz VWUXWQZYINTENA-SNVBAGLBSA-N 2 1 238.335 0.862 20 0 BCADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH3+] ZINC000647611017 384948896 /nfs/dbraw/zinc/94/88/96/384948896.db2.gz VWUXWQZYINTENA-JTQLQIEISA-N 2 1 238.335 0.862 20 0 BCADMP C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000644563540 384969505 /nfs/dbraw/zinc/96/95/05/384969505.db2.gz VIGFNNANCVKZOF-DGCLKSJQSA-N 2 1 242.363 0.600 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000647242330 384990218 /nfs/dbraw/zinc/99/02/18/384990218.db2.gz PTWUQQFONNXJED-FDYHWXHSSA-N 2 1 240.347 0.617 20 0 BCADMP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000647242330 384990224 /nfs/dbraw/zinc/99/02/24/384990224.db2.gz PTWUQQFONNXJED-FDYHWXHSSA-N 2 1 240.347 0.617 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023897 384992942 /nfs/dbraw/zinc/99/29/42/384992942.db2.gz MBDZZULCUKOODP-HBNTYKKESA-N 2 1 225.336 0.467 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023748 384995670 /nfs/dbraw/zinc/99/56/70/384995670.db2.gz ZAMSGQAZDDQKKC-IJLUTSLNSA-N 2 1 239.363 0.713 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129544879 385005007 /nfs/dbraw/zinc/00/50/07/385005007.db2.gz LKBZZMOWLUCHEL-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129544879 385005011 /nfs/dbraw/zinc/00/50/11/385005011.db2.gz LKBZZMOWLUCHEL-VWYCJHECSA-N 2 1 200.326 0.830 20 0 BCADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000259129746 384964585 /nfs/dbraw/zinc/96/45/85/384964585.db2.gz CVYQAGWWVCZIFG-CYBMUJFWSA-N 2 1 241.379 0.250 20 0 BCADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404758703 385052163 /nfs/dbraw/zinc/05/21/63/385052163.db2.gz AZSLQOBWEXZTDR-HBNTYKKESA-N 2 1 241.379 0.863 20 0 BCADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404759377 385052582 /nfs/dbraw/zinc/05/25/82/385052582.db2.gz BGPFNZCWDXBBBS-AXFHLTTASA-N 2 1 241.379 0.959 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000037481280 385056121 /nfs/dbraw/zinc/05/61/21/385056121.db2.gz ZBXJMQJWFIXYKR-GFCCVEGCSA-N 2 1 227.352 0.668 20 0 BCADMP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646941369 385070236 /nfs/dbraw/zinc/07/02/36/385070236.db2.gz YMXAJBGGFIXGSS-VXGBXAGGSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800933 385077429 /nfs/dbraw/zinc/07/74/29/385077429.db2.gz ACIOGNVRLVMBGF-DJLDLDEBSA-N 2 1 213.325 0.179 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800935 385077487 /nfs/dbraw/zinc/07/74/87/385077487.db2.gz ACIOGNVRLVMBGF-YIZRAAEISA-N 2 1 213.325 0.179 20 0 BCADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310377087 385024270 /nfs/dbraw/zinc/02/42/70/385024270.db2.gz AHQPOVBZARFIIC-OLZOCXBDSA-N 2 1 234.347 0.875 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000310377087 385024278 /nfs/dbraw/zinc/02/42/78/385024278.db2.gz AHQPOVBZARFIIC-OLZOCXBDSA-N 2 1 234.347 0.875 20 0 BCADMP CC[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000644639710 385043293 /nfs/dbraw/zinc/04/32/93/385043293.db2.gz RDUJBAVSNVKKDE-GFCCVEGCSA-N 2 1 243.395 0.373 20 0 BCADMP Cn1ccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310538485 385108593 /nfs/dbraw/zinc/10/85/93/385108593.db2.gz BLQBQXAIOJSCIK-TXEJJXNPSA-N 2 1 234.347 0.852 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987058 385114553 /nfs/dbraw/zinc/11/45/53/385114553.db2.gz DSUUJPJRDGZBCP-NWDGAFQWSA-N 2 1 239.363 0.729 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000566246091 385134240 /nfs/dbraw/zinc/13/42/40/385134240.db2.gz FAROVAAAKHUURM-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@@H]1CCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000566246091 385134249 /nfs/dbraw/zinc/13/42/49/385134249.db2.gz FAROVAAAKHUURM-OLZOCXBDSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000566246090 385134781 /nfs/dbraw/zinc/13/47/81/385134781.db2.gz FAROVAAAKHUURM-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+]C[C@H]1CCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000566246090 385134789 /nfs/dbraw/zinc/13/47/89/385134789.db2.gz FAROVAAAKHUURM-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246433 385138904 /nfs/dbraw/zinc/13/89/04/385138904.db2.gz ZYTPYHDDSHWDSH-FRRDWIJNSA-N 2 1 241.379 0.376 20 0 BCADMP COC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669264 385087036 /nfs/dbraw/zinc/08/70/36/385087036.db2.gz QBZHZFXVOSRSFW-VXGBXAGGSA-N 2 1 230.352 0.315 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101851 /nfs/dbraw/zinc/10/18/51/385101851.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101855 /nfs/dbraw/zinc/10/18/55/385101855.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101862 /nfs/dbraw/zinc/10/18/62/385101862.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101866 /nfs/dbraw/zinc/10/18/66/385101866.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873089 385201624 /nfs/dbraw/zinc/20/16/24/385201624.db2.gz ZIRJAKPKAYOLEH-RNJOBUHISA-N 2 1 242.363 0.456 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647011701 385145876 /nfs/dbraw/zinc/14/58/76/385145876.db2.gz JAFHMLUIZREBNJ-VXGBXAGGSA-N 2 1 241.379 0.914 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647011699 385146489 /nfs/dbraw/zinc/14/64/89/385146489.db2.gz JAFHMLUIZREBNJ-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[N@@H+](CCNC(=O)C1(C[NH3+])CCCC1)C1CC1 ZINC000061995815 385148498 /nfs/dbraw/zinc/14/84/98/385148498.db2.gz WXXQANMDOBDZDG-UHFFFAOYSA-N 2 1 239.363 0.716 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH3+] ZINC000647022100 385152582 /nfs/dbraw/zinc/15/25/82/385152582.db2.gz XJQMNUHRLBBYRC-VHSXEESVSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000647022101 385153688 /nfs/dbraw/zinc/15/36/88/385153688.db2.gz XJQMNUHRLBBYRC-ZJUUUORDSA-N 2 1 213.325 0.324 20 0 BCADMP Cn1nccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044528050 385208321 /nfs/dbraw/zinc/20/83/21/385208321.db2.gz AIMKJEFSBSGICV-SNVBAGLBSA-N 2 1 208.309 0.591 20 0 BCADMP Cn1nccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044528050 385208329 /nfs/dbraw/zinc/20/83/29/385208329.db2.gz AIMKJEFSBSGICV-SNVBAGLBSA-N 2 1 208.309 0.591 20 0 BCADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647064407 385209198 /nfs/dbraw/zinc/20/91/98/385209198.db2.gz PPMLUKUKZOQKGL-GHMZBOCLSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000252712008 385211076 /nfs/dbraw/zinc/21/10/76/385211076.db2.gz LFXSVXRBGWYPFQ-IJLUTSLNSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000107801913 385213421 /nfs/dbraw/zinc/21/34/21/385213421.db2.gz NAHAPTSGXSTWGV-LBPRGKRZSA-N 2 1 211.353 0.764 20 0 BCADMP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726693 385223632 /nfs/dbraw/zinc/22/36/32/385223632.db2.gz RYDNDFTZRBMZMT-MRVPVSSYSA-N 2 1 211.309 0.077 20 0 BCADMP CCOCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164662069 385223660 /nfs/dbraw/zinc/22/36/60/385223660.db2.gz FTNAENCCEWSWIA-WDEREUQCSA-N 2 1 200.326 0.940 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726817 385225282 /nfs/dbraw/zinc/22/52/82/385225282.db2.gz BHRGUWZZGCNCMC-SCZZXKLOSA-N 2 1 211.309 0.077 20 0 BCADMP CCCCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166222150 385229315 /nfs/dbraw/zinc/22/93/15/385229315.db2.gz MUFHGGSKWGXNLN-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCCCNC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166222150 385229321 /nfs/dbraw/zinc/22/93/21/385229321.db2.gz MUFHGGSKWGXNLN-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643492 385234753 /nfs/dbraw/zinc/23/47/53/385234753.db2.gz WLVYKVOWVDVWSN-WCQYABFASA-N 2 1 241.379 0.962 20 0 BCADMP CN1CC[N@H+](CCC2CC[NH2+]CC2)CC1=O ZINC000157616966 385235067 /nfs/dbraw/zinc/23/50/67/385235067.db2.gz JSAJTICPRFLTAN-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CN1CC[N@@H+](CCC2CC[NH2+]CC2)CC1=O ZINC000157616966 385235075 /nfs/dbraw/zinc/23/50/75/385235075.db2.gz JSAJTICPRFLTAN-UHFFFAOYSA-N 2 1 225.336 0.150 20 0 BCADMP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157641397 385238345 /nfs/dbraw/zinc/23/83/45/385238345.db2.gz DOHIBUUHHBWMCR-TUAOUCFPSA-N 2 1 241.379 0.816 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124541 385240201 /nfs/dbraw/zinc/24/02/01/385240201.db2.gz SJMYKKQYBBYCML-WYUUTHIRSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000308889821 385244605 /nfs/dbraw/zinc/24/46/05/385244605.db2.gz XDROVKOSZSFAAJ-BBBLOLIVSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308889821 385244608 /nfs/dbraw/zinc/24/46/08/385244608.db2.gz XDROVKOSZSFAAJ-BBBLOLIVSA-N 2 1 213.325 0.180 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000227811202 385247190 /nfs/dbraw/zinc/24/71/90/385247190.db2.gz XBJDOLQEDCXNHU-QJPTWQEYSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000589473629 385306689 /nfs/dbraw/zinc/30/66/89/385306689.db2.gz GMDCPDVQRLCCDX-NSHDSACASA-N 2 1 227.352 0.395 20 0 BCADMP CC[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178672840 385316620 /nfs/dbraw/zinc/31/66/20/385316620.db2.gz NIAAGMRMKYLWMC-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000308902930 385275259 /nfs/dbraw/zinc/27/52/59/385275259.db2.gz JKSYKVNKAUJOBA-GHMZBOCLSA-N 2 1 200.326 0.689 20 0 BCADMP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[NH+](C)C ZINC000647651154 385283329 /nfs/dbraw/zinc/28/33/29/385283329.db2.gz BFDMQFAGCHBLFH-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C[NH+](C)C ZINC000647651154 385283335 /nfs/dbraw/zinc/28/33/35/385283335.db2.gz BFDMQFAGCHBLFH-LLVKDONJSA-N 2 1 227.352 0.491 20 0 BCADMP C[NH2+][C@H](C)Cc1noc([C@@H]2[NH2+]CC2(C)C)n1 ZINC000647142853 385295202 /nfs/dbraw/zinc/29/52/02/385295202.db2.gz NSKNYOVEFQLVME-APPZFPTMSA-N 2 1 224.308 0.891 20 0 BCADMP C[NH2+][C@@H](C)Cc1noc([C@H]2[NH2+]CC2(C)C)n1 ZINC000647142855 385295259 /nfs/dbraw/zinc/29/52/59/385295259.db2.gz NSKNYOVEFQLVME-IONNQARKSA-N 2 1 224.308 0.891 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308978475 385329427 /nfs/dbraw/zinc/32/94/27/385329427.db2.gz HGPODINVEMRORY-SECBINFHSA-N 2 1 211.309 0.102 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000179149088 385368541 /nfs/dbraw/zinc/36/85/41/385368541.db2.gz JSUDFTXQTLKFAK-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000179149088 385368544 /nfs/dbraw/zinc/36/85/44/385368544.db2.gz JSUDFTXQTLKFAK-QJPTWQEYSA-N 2 1 241.379 0.783 20 0 BCADMP CO[C@@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377391 385444555 /nfs/dbraw/zinc/44/45/55/385444555.db2.gz WIOBOVKOYYHALU-ZDUSSCGKSA-N 2 1 243.395 0.591 20 0 BCADMP CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405283363 385452691 /nfs/dbraw/zinc/45/26/91/385452691.db2.gz CVHBBFJJOACPOZ-GUBZILKMSA-N 2 1 227.352 0.617 20 0 BCADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405283366 385453144 /nfs/dbraw/zinc/45/31/44/385453144.db2.gz CVHBBFJJOACPOZ-IVZWLZJFSA-N 2 1 227.352 0.617 20 0 BCADMP CC[C@]1(C(=O)NCC(F)(F)C[NH3+])CC[NH2+]C1 ZINC000364487946 385472840 /nfs/dbraw/zinc/47/28/40/385472840.db2.gz RIUQKPSDNMTVDB-VIFPVBQESA-N 2 1 235.278 0.086 20 0 BCADMP C[C@@]1(O)CC[N@@H+](CCCn2ccnc2)C1 ZINC000182819551 385479880 /nfs/dbraw/zinc/47/98/80/385479880.db2.gz OYUMNKZYRMCACU-LLVKDONJSA-N 2 1 209.293 0.730 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364648192 385484367 /nfs/dbraw/zinc/48/43/67/385484367.db2.gz REOQVJLIUQHQRX-GFCCVEGCSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000335662921 385463090 /nfs/dbraw/zinc/46/30/90/385463090.db2.gz LUNQJMKHUOGWLK-JTQLQIEISA-N 2 1 225.336 0.291 20 0 BCADMP Cn1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000257745303 385496092 /nfs/dbraw/zinc/49/60/92/385496092.db2.gz TVGXXDJUUQXCKU-CQSZACIVSA-N 2 1 248.374 0.505 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000257750500 385496142 /nfs/dbraw/zinc/49/61/42/385496142.db2.gz CTWXAIIZKVRWEC-NEPJUHHUSA-N 2 1 239.363 0.811 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000257770250 385497879 /nfs/dbraw/zinc/49/78/79/385497879.db2.gz KMQFBXDCJFBXEU-NEPJUHHUSA-N 2 1 239.363 0.729 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364053 385506499 /nfs/dbraw/zinc/50/64/99/385506499.db2.gz AZTRFRLKLYITQQ-LBPRGKRZSA-N 2 1 241.379 0.879 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000364863535 385533329 /nfs/dbraw/zinc/53/33/29/385533329.db2.gz SFNJWYWCQKZCCY-LBPRGKRZSA-N 2 1 237.351 0.694 20 0 BCADMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000364863535 385533331 /nfs/dbraw/zinc/53/33/31/385533331.db2.gz SFNJWYWCQKZCCY-LBPRGKRZSA-N 2 1 237.351 0.694 20 0 BCADMP CN(C)c1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643031210 385527696 /nfs/dbraw/zinc/52/76/96/385527696.db2.gz JZPNSXCCAPMIIL-QWRGUYRKSA-N 2 1 247.346 0.731 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSC1 ZINC000309382908 385556251 /nfs/dbraw/zinc/55/62/51/385556251.db2.gz GSVDOJMGFUBZRO-VXGBXAGGSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSC1 ZINC000309382908 385556255 /nfs/dbraw/zinc/55/62/55/385556255.db2.gz GSVDOJMGFUBZRO-VXGBXAGGSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCSC1)C1CC1 ZINC000309382908 385556258 /nfs/dbraw/zinc/55/62/58/385556258.db2.gz GSVDOJMGFUBZRO-VXGBXAGGSA-N 2 1 244.404 0.879 20 0 BCADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1)C1CC1 ZINC000309382908 385556260 /nfs/dbraw/zinc/55/62/60/385556260.db2.gz GSVDOJMGFUBZRO-VXGBXAGGSA-N 2 1 244.404 0.879 20 0 BCADMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364991151 385557240 /nfs/dbraw/zinc/55/72/40/385557240.db2.gz YFSZXVXATLVWDQ-TUAOUCFPSA-N 2 1 239.363 0.522 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309381421 385558752 /nfs/dbraw/zinc/55/87/52/385558752.db2.gz RODXZURHJPLDEI-DCAQKATOSA-N 2 1 226.320 0.609 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000309471534 385600602 /nfs/dbraw/zinc/60/06/02/385600602.db2.gz RBBDFKFSKXUWKE-SNVBAGLBSA-N 2 1 215.341 0.570 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@]1(C)CCCO1 ZINC000309453456 385585777 /nfs/dbraw/zinc/58/57/77/385585777.db2.gz NBOAOGYLFCKRFA-SDDRHHMPSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309447300 385586579 /nfs/dbraw/zinc/58/65/79/385586579.db2.gz LRKFNSVDEWDSPL-GFCCVEGCSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309447300 385586583 /nfs/dbraw/zinc/58/65/83/385586583.db2.gz LRKFNSVDEWDSPL-GFCCVEGCSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@]1(CN)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309447300 385586586 /nfs/dbraw/zinc/58/65/86/385586586.db2.gz LRKFNSVDEWDSPL-GFCCVEGCSA-N 2 1 211.353 0.657 20 0 BCADMP C[C@@H](CNC(=O)CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000340073796 385637398 /nfs/dbraw/zinc/63/73/98/385637398.db2.gz OJEDVILVKPYPCB-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000340073796 385637406 /nfs/dbraw/zinc/63/74/06/385637406.db2.gz OJEDVILVKPYPCB-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000182297001 385644320 /nfs/dbraw/zinc/64/43/20/385644320.db2.gz NVFUAVBVSMXLGC-PWSUYJOCSA-N 2 1 239.363 0.537 20 0 BCADMP C[NH+](C)C[C@@](C)(O)CNc1[nH+]cnc2[nH]ccc21 ZINC000269914833 385648611 /nfs/dbraw/zinc/64/86/11/385648611.db2.gz WSGWFQGXTQMIMD-LBPRGKRZSA-N 2 1 249.318 0.682 20 0 BCADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000647793424 385700454 /nfs/dbraw/zinc/70/04/54/385700454.db2.gz XMZCBKBORAQWPU-WUHRBBMRSA-N 2 1 242.363 0.362 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000309594587 385718115 /nfs/dbraw/zinc/71/81/15/385718115.db2.gz HZYOOHBOFVHCSE-SECBINFHSA-N 2 1 201.314 0.180 20 0 BCADMP C[NH+](C)CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000340113459 385702664 /nfs/dbraw/zinc/70/26/64/385702664.db2.gz ICXYCWFKXCOZOF-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000414855918 385706875 /nfs/dbraw/zinc/70/68/75/385706875.db2.gz XXIDYTDVVLVYGA-LBPRGKRZSA-N 3 1 213.369 0.949 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH3+])CC2)CC[N@H+]1C ZINC000647727136 385707642 /nfs/dbraw/zinc/70/76/42/385707642.db2.gz MFHHXKRFVHGIOZ-HBIQZDMRSA-N 2 1 239.363 0.713 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000336693280 385737294 /nfs/dbraw/zinc/73/72/94/385737294.db2.gz RCNOVXRRIBGWJP-UWVGGRQHSA-N 2 1 200.326 0.687 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CC(C)(C)C1 ZINC000336654810 385739965 /nfs/dbraw/zinc/73/99/65/385739965.db2.gz NAIHKIPHNFSNLZ-SNVBAGLBSA-N 2 1 200.326 0.687 20 0 BCADMP C[NH2+]CCC[NH2+]Cc1cnc(N(C)C)s1 ZINC000414864161 385767064 /nfs/dbraw/zinc/76/70/64/385767064.db2.gz ZAOLXTNYYORXEU-UHFFFAOYSA-N 2 1 228.365 0.908 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH3+])CC[N@H+]1C ZINC000647764554 385799126 /nfs/dbraw/zinc/79/91/26/385799126.db2.gz FBAAWQKRHMVQHK-RKDXNWHRSA-N 2 1 213.325 0.180 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647801401 385813026 /nfs/dbraw/zinc/81/30/26/385813026.db2.gz UQIIORGLMHURHN-GHMZBOCLSA-N 2 1 237.351 0.335 20 0 BCADMP C[N@@H+](CCCc1ccccc1)C[C@H](O)C[NH3+] ZINC000336737823 385824230 /nfs/dbraw/zinc/82/42/30/385824230.db2.gz JSUFIRCMTPXYQS-CYBMUJFWSA-N 2 1 222.332 0.871 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000647805182 385843424 /nfs/dbraw/zinc/84/34/24/385843424.db2.gz BCHNQEJPSJRCSI-NNYUYHANSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000262514597 385851966 /nfs/dbraw/zinc/85/19/66/385851966.db2.gz FSRZXSOURPSSNK-JQWIXIFHSA-N 2 1 235.331 0.753 20 0 BCADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCC[NH3+] ZINC000647849469 385901586 /nfs/dbraw/zinc/90/15/86/385901586.db2.gz UYLRCPHYGHQKIT-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCC[NH3+] ZINC000647849469 385901590 /nfs/dbraw/zinc/90/15/90/385901590.db2.gz UYLRCPHYGHQKIT-LBPRGKRZSA-N 2 1 241.379 0.914 20 0 BCADMP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000336721353 385908344 /nfs/dbraw/zinc/90/83/44/385908344.db2.gz SOLDCGTVXPAENW-CBAPKCEASA-N 2 1 247.289 0.322 20 0 BCADMP C[C@H](C[NH2+]Cc1cncn1C)C[NH+](C)C ZINC000291724109 385910346 /nfs/dbraw/zinc/91/03/46/385910346.db2.gz MZHAKXNSVQYEOI-SNVBAGLBSA-N 2 1 210.325 0.707 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414004923 385922493 /nfs/dbraw/zinc/92/24/93/385922493.db2.gz KTMNMIZCBJMQDJ-WOPDTQHZSA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414004921 385922876 /nfs/dbraw/zinc/92/28/76/385922876.db2.gz KTMNMIZCBJMQDJ-SDDRHHMPSA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414004922 385923048 /nfs/dbraw/zinc/92/30/48/385923048.db2.gz KTMNMIZCBJMQDJ-SRVKXCTJSA-N 2 1 239.363 0.395 20 0 BCADMP CSCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336720209 385862025 /nfs/dbraw/zinc/86/20/25/385862025.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 1 232.393 0.736 20 0 BCADMP CSCC[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336720209 385862029 /nfs/dbraw/zinc/86/20/29/385862029.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 1 232.393 0.736 20 0 BCADMP CSCC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336720209 385862032 /nfs/dbraw/zinc/86/20/32/385862032.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 1 232.393 0.736 20 0 BCADMP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000647734671 385872625 /nfs/dbraw/zinc/87/26/25/385872625.db2.gz FWCMGSOJNLNTCF-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP CC[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000338269353 385934332 /nfs/dbraw/zinc/93/43/32/385934332.db2.gz CSVMASSHHGEPGW-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP Cn1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1=O ZINC000647982862 385937604 /nfs/dbraw/zinc/93/76/04/385937604.db2.gz ZTENERIJZUSVPR-UHFFFAOYSA-N 2 1 221.304 0.307 20 0 BCADMP C1CCC([N@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)C1 ZINC000335058164 385959113 /nfs/dbraw/zinc/95/91/13/385959113.db2.gz YPNSKDRDEDDUDI-VXGBXAGGSA-N 2 1 223.364 0.955 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865882 386000335 /nfs/dbraw/zinc/00/03/35/386000335.db2.gz WKQPLVWQHMUOMR-AVGNSLFASA-N 3 1 241.379 0.424 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865882 386000339 /nfs/dbraw/zinc/00/03/39/386000339.db2.gz WKQPLVWQHMUOMR-AVGNSLFASA-N 3 1 241.379 0.424 20 0 BCADMP c1n[nH]cc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309272823 386000630 /nfs/dbraw/zinc/00/06/30/386000630.db2.gz LLFPCMKGWZPZTO-VXGBXAGGSA-N 2 1 220.320 0.636 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336770705 386013565 /nfs/dbraw/zinc/01/35/65/386013565.db2.gz WVINVMSISYELCG-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336770705 386013566 /nfs/dbraw/zinc/01/35/66/386013566.db2.gz WVINVMSISYELCG-PWSUYJOCSA-N 2 1 212.337 0.831 20 0 BCADMP c1ncc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839225 386119692 /nfs/dbraw/zinc/11/96/92/386119692.db2.gz FSEUEYBSKNLKPU-CHWSQXEVSA-N 2 1 248.330 0.429 20 0 BCADMP CC[N@H+]1CC[C@H](NCC[NH2+]CCOC)[C@H](C)C1 ZINC000414887612 386091017 /nfs/dbraw/zinc/09/10/17/386091017.db2.gz QSFBLTPZUJRKRE-OLZOCXBDSA-N 2 1 243.395 0.542 20 0 BCADMP COC(=O)c1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c[nH]1 ZINC000414887463 386093476 /nfs/dbraw/zinc/09/34/76/386093476.db2.gz DPIUWMZTFCNKED-SNVBAGLBSA-N 2 1 237.303 0.628 20 0 BCADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674207 386145793 /nfs/dbraw/zinc/14/57/93/386145793.db2.gz DHYQIGNQUGHCKR-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674212 386146969 /nfs/dbraw/zinc/14/69/69/386146969.db2.gz DHYQIGNQUGHCKR-WDEREUQCSA-N 2 1 239.363 0.585 20 0 BCADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676070 386148610 /nfs/dbraw/zinc/14/86/10/386148610.db2.gz USCMLDZZFVVJBL-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693956 386190181 /nfs/dbraw/zinc/19/01/81/386190181.db2.gz SEYJFWKIFNNAFW-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H]1C[C@H](CN2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414693956 386190185 /nfs/dbraw/zinc/19/01/85/386190185.db2.gz SEYJFWKIFNNAFW-SDDRHHMPSA-N 2 1 211.353 0.668 20 0 BCADMP CCOC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414678698 386159106 /nfs/dbraw/zinc/15/91/06/386159106.db2.gz QVJZXZZVIPSHRN-GHMZBOCLSA-N 2 1 228.336 0.869 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693958 386190252 /nfs/dbraw/zinc/19/02/52/386190252.db2.gz SEYJFWKIFNNAFW-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414693958 386190255 /nfs/dbraw/zinc/19/02/55/386190255.db2.gz SEYJFWKIFNNAFW-TUAOUCFPSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346181843 386160947 /nfs/dbraw/zinc/16/09/47/386160947.db2.gz BVNMDPATBBTYAA-UTUOFQBUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141777 386164777 /nfs/dbraw/zinc/16/47/77/386164777.db2.gz RJYATBBAACWZIA-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414686445 386174118 /nfs/dbraw/zinc/17/41/18/386174118.db2.gz ASKIFPKYIXTLNG-QWRGUYRKSA-N 2 1 228.336 0.869 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@H]2C)CC[NH2+]1 ZINC000414691131 386184554 /nfs/dbraw/zinc/18/45/54/386184554.db2.gz JASGFVALVCYLFH-MXWKQRLJSA-N 2 1 225.336 0.195 20 0 BCADMP CC[N@@H+](CCNC(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000417490639 386143400 /nfs/dbraw/zinc/14/34/00/386143400.db2.gz RWGYOHMQIMPTLD-JTQLQIEISA-N 2 1 242.367 0.365 20 0 BCADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000414891758 386143559 /nfs/dbraw/zinc/14/35/59/386143559.db2.gz WYLODCWLDMEPTI-DDHJBXDOSA-N 2 1 222.332 0.896 20 0 BCADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697230 386202509 /nfs/dbraw/zinc/20/25/09/386202509.db2.gz IHDABBOUCXOPNV-RYUDHWBXSA-N 2 1 244.379 0.297 20 0 BCADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347034469 386223663 /nfs/dbraw/zinc/22/36/63/386223663.db2.gz GBMYEQVVJNZOSC-LBPRGKRZSA-N 2 1 247.342 0.827 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000414708539 386225377 /nfs/dbraw/zinc/22/53/77/386225377.db2.gz QPOQNWAZYXGYHF-GFCCVEGCSA-N 2 1 239.363 0.573 20 0 BCADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347048024 386232995 /nfs/dbraw/zinc/23/29/95/386232995.db2.gz PKDSGYRNIRFBRQ-VIFPVBQESA-N 2 1 240.376 0.990 20 0 BCADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347048024 386233002 /nfs/dbraw/zinc/23/30/02/386233002.db2.gz PKDSGYRNIRFBRQ-VIFPVBQESA-N 2 1 240.376 0.990 20 0 BCADMP C[NH+](C)C1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000365622052 386233555 /nfs/dbraw/zinc/23/35/55/386233555.db2.gz OFKBFTJNSFGLKR-LLVKDONJSA-N 2 1 248.330 0.533 20 0 BCADMP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882721 386235977 /nfs/dbraw/zinc/23/59/77/386235977.db2.gz VNBPFCWZYDOAEH-RYUDHWBXSA-N 2 1 239.363 0.573 20 0 BCADMP Cn1nnc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc21 ZINC000347125311 386237090 /nfs/dbraw/zinc/23/70/90/386237090.db2.gz YBGGUGSFIFMYFG-LLVKDONJSA-N 2 1 245.330 0.749 20 0 BCADMP C[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCCC[NH2+]1 ZINC000190245614 386243950 /nfs/dbraw/zinc/24/39/50/386243950.db2.gz NXUJVLZLPMOSAZ-VIFPVBQESA-N 2 1 235.278 0.229 20 0 BCADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347088491 386244208 /nfs/dbraw/zinc/24/42/08/386244208.db2.gz FEMWVEZUZHLUJS-JTQLQIEISA-N 2 1 231.303 0.510 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347088491 386244212 /nfs/dbraw/zinc/24/42/12/386244212.db2.gz FEMWVEZUZHLUJS-JTQLQIEISA-N 2 1 231.303 0.510 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000132938614 386260796 /nfs/dbraw/zinc/26/07/96/386260796.db2.gz XFKIVMXRIBYQGM-NQBHXWOUSA-N 2 1 239.363 0.585 20 0 BCADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414696024 386195911 /nfs/dbraw/zinc/19/59/11/386195911.db2.gz VEKLUAWRQGCTEW-NSHDSACASA-N 2 1 227.352 0.668 20 0 BCADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414696020 386196617 /nfs/dbraw/zinc/19/66/17/386196617.db2.gz VEKLUAWRQGCTEW-LLVKDONJSA-N 2 1 227.352 0.668 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196759 /nfs/dbraw/zinc/19/67/59/386196759.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196764 /nfs/dbraw/zinc/19/67/64/386196764.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196768 /nfs/dbraw/zinc/19/67/68/386196768.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196772 /nfs/dbraw/zinc/19/67/72/386196772.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196779 /nfs/dbraw/zinc/19/67/79/386196779.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 1 228.336 0.020 20 0 BCADMP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695140 386198084 /nfs/dbraw/zinc/19/80/84/386198084.db2.gz OEBDJPSKICXIGC-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP COC(=O)[C@H](C)C[N@@H+](CCC[NH3+])C1CC1 ZINC000414698377 386198861 /nfs/dbraw/zinc/19/88/61/386198861.db2.gz DEJADVCXQNVNKS-SECBINFHSA-N 2 1 214.309 0.609 20 0 BCADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1COCCO1 ZINC000336676046 386324492 /nfs/dbraw/zinc/32/44/92/386324492.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1COCCO1 ZINC000336676046 386324497 /nfs/dbraw/zinc/32/44/97/386324497.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1COCCO1 ZINC000336676046 386324500 /nfs/dbraw/zinc/32/45/00/386324500.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1COCCO1 ZINC000336676046 386324507 /nfs/dbraw/zinc/32/45/07/386324507.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 2 1 242.363 0.675 20 0 BCADMP C[C@@]1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900871 386290026 /nfs/dbraw/zinc/29/00/26/386290026.db2.gz FIUYZBLTJDBIIX-QWHCGFSZSA-N 3 1 225.380 0.965 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000414732886 386292835 /nfs/dbraw/zinc/29/28/35/386292835.db2.gz IUVSVAWMPMDIDE-LLVKDONJSA-N 2 1 211.353 0.786 20 0 BCADMP NCC1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000414732886 386292840 /nfs/dbraw/zinc/29/28/40/386292840.db2.gz IUVSVAWMPMDIDE-LLVKDONJSA-N 2 1 211.353 0.786 20 0 BCADMP NCC1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000414732886 386292842 /nfs/dbraw/zinc/29/28/42/386292842.db2.gz IUVSVAWMPMDIDE-LLVKDONJSA-N 2 1 211.353 0.786 20 0 BCADMP C[C@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205144 386301451 /nfs/dbraw/zinc/30/14/51/386301451.db2.gz NFEBMCAOKXRWEL-LBPRGKRZSA-N 2 1 231.384 0.183 20 0 BCADMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC[NH3+] ZINC000414737239 386308057 /nfs/dbraw/zinc/30/80/57/386308057.db2.gz AHSBAZZEPULCAB-MXWKQRLJSA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC[NH3+] ZINC000414737239 386308063 /nfs/dbraw/zinc/30/80/63/386308063.db2.gz AHSBAZZEPULCAB-MXWKQRLJSA-N 2 1 226.320 0.609 20 0 BCADMP C[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336671418 386319401 /nfs/dbraw/zinc/31/94/01/386319401.db2.gz KBIOGNCIAWRGCK-QWRGUYRKSA-N 2 1 200.326 0.641 20 0 BCADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000236885579 386323426 /nfs/dbraw/zinc/32/34/26/386323426.db2.gz BXLNMTYMOHNKGA-GFCCVEGCSA-N 2 1 235.331 0.754 20 0 BCADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCO)C1 ZINC000336649929 386263719 /nfs/dbraw/zinc/26/37/19/386263719.db2.gz RXPRNNQIHZAAPQ-GFCCVEGCSA-N 2 1 212.337 0.642 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCO)C1 ZINC000336649929 386263722 /nfs/dbraw/zinc/26/37/22/386263722.db2.gz RXPRNNQIHZAAPQ-GFCCVEGCSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCO)C1 ZINC000336649929 386263723 /nfs/dbraw/zinc/26/37/23/386263723.db2.gz RXPRNNQIHZAAPQ-GFCCVEGCSA-N 2 1 212.337 0.642 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000336649929 386263726 /nfs/dbraw/zinc/26/37/26/386263726.db2.gz RXPRNNQIHZAAPQ-GFCCVEGCSA-N 2 1 212.337 0.642 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308441 386269315 /nfs/dbraw/zinc/26/93/15/386269315.db2.gz QPQMTSFRJVEXPT-QWRGUYRKSA-N 2 1 239.363 0.395 20 0 BCADMP COC[C@H]1CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339290054 386342823 /nfs/dbraw/zinc/34/28/23/386342823.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 2 1 228.336 0.162 20 0 BCADMP CC[C@@H](C(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265555248 386348438 /nfs/dbraw/zinc/34/84/38/386348438.db2.gz ZMVOHAXYLTYFHV-JTQLQIEISA-N 2 1 236.319 0.853 20 0 BCADMP c1ncn([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000647989537 386358501 /nfs/dbraw/zinc/35/85/01/386358501.db2.gz BALKPZYHIPNPCA-CYBMUJFWSA-N 2 1 249.362 0.915 20 0 BCADMP COCCOC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890059 386361256 /nfs/dbraw/zinc/36/12/56/386361256.db2.gz KOPCVVXEGZJTMV-CHWSQXEVSA-N 2 1 242.363 0.581 20 0 BCADMP NC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890089 386367437 /nfs/dbraw/zinc/36/74/37/386367437.db2.gz PJYUTMWPUIFELU-GHMZBOCLSA-N 2 1 225.336 0.183 20 0 BCADMP CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637808585 386372163 /nfs/dbraw/zinc/37/21/63/386372163.db2.gz BZTNHHTYCNKVSW-LLVKDONJSA-N 2 1 227.352 0.444 20 0 BCADMP COC(=O)[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414742697 386330611 /nfs/dbraw/zinc/33/06/11/386330611.db2.gz NTZBWGBTFGVJPV-JBLDHEPKSA-N 2 1 240.347 0.916 20 0 BCADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000414753219 386385962 /nfs/dbraw/zinc/38/59/62/386385962.db2.gz LXRPECMORBYHJA-PWSUYJOCSA-N 2 1 227.352 0.557 20 0 BCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC[NH3+] ZINC000417541560 386333859 /nfs/dbraw/zinc/33/38/59/386333859.db2.gz YVGJNMKBTXSFSU-PHIMTYICSA-N 2 1 242.367 0.507 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275700 386335365 /nfs/dbraw/zinc/33/53/65/386335365.db2.gz CUHODPOUFLMUKJ-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H](N)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275700 386335367 /nfs/dbraw/zinc/33/53/67/386335367.db2.gz CUHODPOUFLMUKJ-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H](N)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275700 386335372 /nfs/dbraw/zinc/33/53/72/386335372.db2.gz CUHODPOUFLMUKJ-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCCO)CC1 ZINC000414743609 386335868 /nfs/dbraw/zinc/33/58/68/386335868.db2.gz HKDQQWOPRHWOAA-LBPRGKRZSA-N 2 1 244.379 0.833 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399188420 386442628 /nfs/dbraw/zinc/44/26/28/386442628.db2.gz HKDKVHLQNQIMPO-JTQLQIEISA-N 2 1 227.352 0.442 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417609970 386447282 /nfs/dbraw/zinc/44/72/82/386447282.db2.gz MKWDNCJBXDOLBW-LLVKDONJSA-N 2 1 244.383 0.707 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417613722 386450360 /nfs/dbraw/zinc/45/03/60/386450360.db2.gz UBIZVQGBBGKNJM-UHFFFAOYSA-N 2 1 244.383 0.627 20 0 BCADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000414753217 386387727 /nfs/dbraw/zinc/38/77/27/386387727.db2.gz LXRPECMORBYHJA-JQWIXIFHSA-N 2 1 227.352 0.557 20 0 BCADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C1CC1 ZINC000637829241 386404595 /nfs/dbraw/zinc/40/45/95/386404595.db2.gz ZUHPEOQBDOVWDQ-UHFFFAOYSA-N 2 1 222.292 0.060 20 0 BCADMP CC(C)C[C@H](C)C[N@H+](CC[NH3+])CCO ZINC000414908637 386410564 /nfs/dbraw/zinc/41/05/64/386410564.db2.gz FRDUTOIFEGHJKW-NSHDSACASA-N 2 1 202.342 0.922 20 0 BCADMP CC(C)C[C@H](C)C[N@@H+](CC[NH3+])CCO ZINC000414908637 386410565 /nfs/dbraw/zinc/41/05/65/386410565.db2.gz FRDUTOIFEGHJKW-NSHDSACASA-N 2 1 202.342 0.922 20 0 BCADMP CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)CN(C)C1CC1 ZINC000336732894 386430950 /nfs/dbraw/zinc/43/09/50/386430950.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336732894 386430973 /nfs/dbraw/zinc/43/09/73/386430973.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@@H](C)[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336732894 386430978 /nfs/dbraw/zinc/43/09/78/386430978.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 2 1 244.379 0.534 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000519402955 386431840 /nfs/dbraw/zinc/43/18/40/386431840.db2.gz MGPLAEDULRTXIL-DCAQKATOSA-N 2 1 225.336 0.276 20 0 BCADMP CCC[NH2+]CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000417604130 386434491 /nfs/dbraw/zinc/43/44/91/386434491.db2.gz AVSVMJDUCHXCIR-UHFFFAOYSA-N 2 1 242.367 0.379 20 0 BCADMP C[N@@H+](CCNC(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000417627037 386466187 /nfs/dbraw/zinc/46/61/87/386466187.db2.gz PCQDWHXRHYMWTQ-UHFFFAOYSA-N 2 1 240.351 0.261 20 0 BCADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH2+]CC1 ZINC000366412914 386469928 /nfs/dbraw/zinc/46/99/28/386469928.db2.gz FWQWRUVPFIOEQC-NEPJUHHUSA-N 2 1 237.347 0.293 20 0 BCADMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000391591573 386471643 /nfs/dbraw/zinc/47/16/43/386471643.db2.gz FLRRSVHXQFANSW-IJLUTSLNSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@@H+](CCNC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000417629264 386472979 /nfs/dbraw/zinc/47/29/79/386472979.db2.gz SBXAEHPSLLIDBX-UHFFFAOYSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@]1(C)CCCO1 ZINC000340359291 386480634 /nfs/dbraw/zinc/48/06/34/386480634.db2.gz OMDWXNNHHFKBEZ-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000340359291 386480638 /nfs/dbraw/zinc/48/06/38/386480638.db2.gz OMDWXNNHHFKBEZ-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP CCN1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1=O ZINC000391604176 386483283 /nfs/dbraw/zinc/48/32/83/386483283.db2.gz KXGOBJGXLYXHTR-LBPRGKRZSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335432888 386491327 /nfs/dbraw/zinc/49/13/27/386491327.db2.gz FEQXBBBEZXQELS-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP [NH3+]CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447620 386514248 /nfs/dbraw/zinc/51/42/48/386514248.db2.gz FGVNDUHRSHXJBX-MNOVXSKESA-N 3 1 209.337 0.409 20 0 BCADMP [NH3+]CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447620 386514257 /nfs/dbraw/zinc/51/42/57/386514257.db2.gz FGVNDUHRSHXJBX-MNOVXSKESA-N 3 1 209.337 0.409 20 0 BCADMP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2CC[NH2+]C2)CC1 ZINC000415025469 386514462 /nfs/dbraw/zinc/51/44/62/386514462.db2.gz QCKYTCHBAWKRBT-IJLUTSLNSA-N 2 1 211.353 0.703 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515544 /nfs/dbraw/zinc/51/55/44/386515544.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515549 /nfs/dbraw/zinc/51/55/49/386515549.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516512 /nfs/dbraw/zinc/51/65/12/386516512.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 1 208.309 0.889 20 0 BCADMP Cc1c[nH]nc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517939 /nfs/dbraw/zinc/51/79/39/386517939.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 2 1 208.309 0.887 20 0 BCADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517943 /nfs/dbraw/zinc/51/79/43/386517943.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 2 1 208.309 0.887 20 0 BCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000331397426 386519884 /nfs/dbraw/zinc/51/98/84/386519884.db2.gz AAEZTZYCFKIZSU-SNVBAGLBSA-N 2 1 240.351 0.213 20 0 BCADMP CC[NH+](CC)CC(=O)NCCn1cc[nH+]c1C ZINC000299478317 386454595 /nfs/dbraw/zinc/45/45/95/386454595.db2.gz AGQJHKHXXLLFRZ-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP [NH3+]CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417141607 386455307 /nfs/dbraw/zinc/45/53/07/386455307.db2.gz RMTDBRICGHLAMP-WDEREUQCSA-N 2 1 240.351 0.261 20 0 BCADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000061380742 386455621 /nfs/dbraw/zinc/45/56/21/386455621.db2.gz UXUOYTUWAYEYEF-GFCCVEGCSA-N 2 1 245.367 0.198 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH2+]C)C1 ZINC000417236040 386463631 /nfs/dbraw/zinc/46/36/31/386463631.db2.gz DDDAPZWJIKMXIH-LLVKDONJSA-N 2 1 242.367 0.237 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648192 386465753 /nfs/dbraw/zinc/46/57/53/386465753.db2.gz UOLXMTUOEDXJKA-VXGBXAGGSA-N 2 1 241.379 0.831 20 0 BCADMP NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977842 386576939 /nfs/dbraw/zinc/57/69/39/386576939.db2.gz IUQAGSBWMFXDOP-QWRGUYRKSA-N 2 1 225.336 0.183 20 0 BCADMP NCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978098 386577258 /nfs/dbraw/zinc/57/72/58/386577258.db2.gz MODMTCSGYOPKJT-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP NCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978098 386577264 /nfs/dbraw/zinc/57/72/64/386577264.db2.gz MODMTCSGYOPKJT-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978098 386577271 /nfs/dbraw/zinc/57/72/71/386577271.db2.gz MODMTCSGYOPKJT-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP [NH3+]CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978098 386577277 /nfs/dbraw/zinc/57/72/77/386577277.db2.gz MODMTCSGYOPKJT-VXGBXAGGSA-N 3 1 211.353 0.657 20 0 BCADMP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978235 386577939 /nfs/dbraw/zinc/57/79/39/386577939.db2.gz OUOJOJLATIXLEK-WOPDTQHZSA-N 2 1 239.363 0.572 20 0 BCADMP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797124 386578843 /nfs/dbraw/zinc/57/88/43/386578843.db2.gz AYRIMYQSDMUOHZ-SNVBAGLBSA-N 2 1 228.336 0.903 20 0 BCADMP CC(C)[C@H](N)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414801447 386585855 /nfs/dbraw/zinc/58/58/55/386585855.db2.gz UDIWYMBQIPHROX-IJLUTSLNSA-N 2 1 213.369 0.947 20 0 BCADMP CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336644480 386588157 /nfs/dbraw/zinc/58/81/57/386588157.db2.gz AMIXHBSHCXCMDO-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336644480 386588164 /nfs/dbraw/zinc/58/81/64/386588164.db2.gz AMIXHBSHCXCMDO-QWRGUYRKSA-N 2 1 200.326 0.831 20 0 BCADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414922391 386598981 /nfs/dbraw/zinc/59/89/81/386598981.db2.gz GADVAKZKJDYAGT-GMTAPVOTSA-N 2 1 200.326 0.857 20 0 BCADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000647995358 386537095 /nfs/dbraw/zinc/53/70/95/386537095.db2.gz RBJQQLTWEGLVPV-UTUOFQBUSA-N 2 1 210.321 0.707 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519707704 386538568 /nfs/dbraw/zinc/53/85/68/386538568.db2.gz FYUMCHOAHKYGKW-VXGBXAGGSA-N 3 1 213.369 0.949 20 0 BCADMP COCc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415060016 386541775 /nfs/dbraw/zinc/54/17/75/386541775.db2.gz SXZBQXXKBYLOPE-ZDUSSCGKSA-N 2 1 238.331 0.584 20 0 BCADMP COCc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415060016 386541780 /nfs/dbraw/zinc/54/17/80/386541780.db2.gz SXZBQXXKBYLOPE-ZDUSSCGKSA-N 2 1 238.331 0.584 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196299 386552704 /nfs/dbraw/zinc/55/27/04/386552704.db2.gz CUWGHFYGJHTBAT-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196299 386552710 /nfs/dbraw/zinc/55/27/10/386552710.db2.gz CUWGHFYGJHTBAT-GHMZBOCLSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196296 386553217 /nfs/dbraw/zinc/55/32/17/386553217.db2.gz CUWGHFYGJHTBAT-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196296 386553221 /nfs/dbraw/zinc/55/32/21/386553221.db2.gz CUWGHFYGJHTBAT-QWRGUYRKSA-N 2 1 227.352 0.666 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335467175 386556162 /nfs/dbraw/zinc/55/61/62/386556162.db2.gz AJXVZAUUSYUTIK-MWLCHTKSSA-N 2 1 231.315 0.130 20 0 BCADMP Cn1nnc2cc(C[NH2+][C@H](C[NH3+])C3CC3)ccc21 ZINC000414795319 386573626 /nfs/dbraw/zinc/57/36/26/386573626.db2.gz GPIWOAROPSNBHN-GFCCVEGCSA-N 2 1 245.330 0.795 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121454 386631256 /nfs/dbraw/zinc/63/12/56/386631256.db2.gz HJDMLURBAQDOKQ-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121454 386631260 /nfs/dbraw/zinc/63/12/60/386631260.db2.gz HJDMLURBAQDOKQ-UPJWGTAASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121453 386632256 /nfs/dbraw/zinc/63/22/56/386632256.db2.gz HJDMLURBAQDOKQ-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121453 386632260 /nfs/dbraw/zinc/63/22/60/386632260.db2.gz HJDMLURBAQDOKQ-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906589 386635567 /nfs/dbraw/zinc/63/55/67/386635567.db2.gz HDELQMUNJXJOMH-ZYHUDNBSSA-N 2 1 235.331 0.554 20 0 BCADMP C[C@H](O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143397 386638587 /nfs/dbraw/zinc/63/85/87/386638587.db2.gz SMZHTHSANMEWOX-XQHKEYJVSA-N 2 1 242.363 0.456 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000335522457 386663804 /nfs/dbraw/zinc/66/38/04/386663804.db2.gz VKLUHRZUJUCVAB-LLVKDONJSA-N 2 1 227.352 0.524 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335522578 386664429 /nfs/dbraw/zinc/66/44/29/386664429.db2.gz YFGCIQCUUWLWHM-TXEJJXNPSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647954463 386682482 /nfs/dbraw/zinc/68/24/82/386682482.db2.gz NJPMBAYDXCVFEE-OLZOCXBDSA-N 2 1 242.363 0.853 20 0 BCADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335520515 386658947 /nfs/dbraw/zinc/65/89/47/386658947.db2.gz FOTNPKHYNCOYFT-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000563887824 386685348 /nfs/dbraw/zinc/68/53/48/386685348.db2.gz DAAYBKHZEDFAKP-AEJSXWLSSA-N 2 1 243.376 0.283 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337274147 386689519 /nfs/dbraw/zinc/68/95/19/386689519.db2.gz PNWGNVJCORKARV-UHFFFAOYSA-N 2 1 241.379 0.882 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357081532 386711790 /nfs/dbraw/zinc/71/17/90/386711790.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 2 1 229.368 0.235 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357081532 386711796 /nfs/dbraw/zinc/71/17/96/386711796.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC[NH3+])C1 ZINC000357081532 386711799 /nfs/dbraw/zinc/71/17/99/386711799.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357081532 386711804 /nfs/dbraw/zinc/71/18/04/386711804.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357081532 386711809 /nfs/dbraw/zinc/71/18/09/386711809.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 3 1 229.368 0.235 20 0 BCADMP [NH3+]CCOCC[N@@H+](CCO)Cc1ccccc1 ZINC000357027156 386693395 /nfs/dbraw/zinc/69/33/95/386693395.db2.gz KEEWMYAIXLMOHJ-UHFFFAOYSA-N 2 1 238.331 0.456 20 0 BCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH3+] ZINC000335475377 386698226 /nfs/dbraw/zinc/69/82/26/386698226.db2.gz KDUUSPZEGOZLBE-VHSXEESVSA-N 2 1 213.325 0.132 20 0 BCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH3+] ZINC000335475377 386698229 /nfs/dbraw/zinc/69/82/29/386698229.db2.gz KDUUSPZEGOZLBE-VHSXEESVSA-N 2 1 213.325 0.132 20 0 BCADMP C[NH+](C)CC1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000647958917 386703932 /nfs/dbraw/zinc/70/39/32/386703932.db2.gz MFFIJORLYPDCFF-UHFFFAOYSA-N 2 1 237.351 0.621 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC)C[C@H]1C ZINC000520603940 386704966 /nfs/dbraw/zinc/70/49/66/386704966.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+](CC)C[C@H]1C ZINC000520603940 386704972 /nfs/dbraw/zinc/70/49/72/386704972.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CC)C[C@H]1C ZINC000520603940 386704976 /nfs/dbraw/zinc/70/49/76/386704976.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 2 1 243.395 0.325 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC)C[C@H]1C ZINC000520603941 386705469 /nfs/dbraw/zinc/70/54/69/386705469.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CC)C[C@H]1C ZINC000520603941 386705472 /nfs/dbraw/zinc/70/54/72/386705472.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CC)C[C@H]1C ZINC000520603941 386705476 /nfs/dbraw/zinc/70/54/76/386705476.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114400721 386708588 /nfs/dbraw/zinc/70/85/88/386708588.db2.gz YINMLHVUXWVWFM-LBPRGKRZSA-N 2 1 241.379 0.737 20 0 BCADMP CC[C@]1(C(=O)NCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000122073166 386734045 /nfs/dbraw/zinc/73/40/45/386734045.db2.gz IDNCKWBTXBBJFJ-CYBMUJFWSA-N 2 1 241.379 0.975 20 0 BCADMP Cn1cc([C@H]2CC[N@@H+](CCOCC[NH3+])C2)cn1 ZINC000357091055 386713505 /nfs/dbraw/zinc/71/35/05/386713505.db2.gz VTNGYJOLTXOURF-NSHDSACASA-N 2 1 238.335 0.185 20 0 BCADMP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000357253947 386747293 /nfs/dbraw/zinc/74/72/93/386747293.db2.gz XOUNVTPTMWGLGA-KOLCDFICSA-N 2 1 225.336 0.276 20 0 BCADMP C([NH2+][C@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC000335640825 386765335 /nfs/dbraw/zinc/76/53/35/386765335.db2.gz AKHZZDPXCZBEHQ-LBPRGKRZSA-N 2 1 211.353 0.718 20 0 BCADMP C[C@H]1OCC[C@]1(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000394992532 386794049 /nfs/dbraw/zinc/79/40/49/386794049.db2.gz GDHYOZIBNPVHDZ-NDBYEHHHSA-N 2 1 242.363 0.456 20 0 BCADMP CN(C)c1cc(NC(=O)CCC[NH3+])cc[nH+]1 ZINC000269277269 386771044 /nfs/dbraw/zinc/77/10/44/386771044.db2.gz YAEJPWXVRQGNPT-UHFFFAOYSA-N 2 1 222.292 0.825 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000394974039 386771340 /nfs/dbraw/zinc/77/13/40/386771340.db2.gz ZNMHCGCTLVEEMX-KOLCDFICSA-N 2 1 225.336 0.337 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@H+]1C ZINC000340415944 386779690 /nfs/dbraw/zinc/77/96/90/386779690.db2.gz YWIUPJCGHNAPEE-LPWJVIDDSA-N 2 1 242.363 0.599 20 0 BCADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000341009952 386817324 /nfs/dbraw/zinc/81/73/24/386817324.db2.gz DOQBYQURCGOPEZ-NSHDSACASA-N 2 1 239.363 0.680 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000334760302 386820075 /nfs/dbraw/zinc/82/00/75/386820075.db2.gz QOXXRKKJOSEZJQ-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H]1[C@@H](NC(=O)NCCCC[NH3+])CCC[N@H+]1C ZINC000418001881 386820748 /nfs/dbraw/zinc/82/07/48/386820748.db2.gz LHSVKJZYNUJREQ-QWRGUYRKSA-N 2 1 242.367 0.507 20 0 BCADMP CC(C)(C)[NH2+]CCNCC[C@H]1CC[NH2+]C1 ZINC000414845257 386797552 /nfs/dbraw/zinc/79/75/52/386797552.db2.gz FUEDZVDWZWQPOD-NSHDSACASA-N 2 1 213.369 0.964 20 0 BCADMP CC(C)(C)NCC[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414845257 386797557 /nfs/dbraw/zinc/79/75/57/386797557.db2.gz FUEDZVDWZWQPOD-NSHDSACASA-N 2 1 213.369 0.964 20 0 BCADMP C[NH2+]CCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000417857003 386805035 /nfs/dbraw/zinc/80/50/35/386805035.db2.gz NOEKMZYIMGUQQZ-UWVGGRQHSA-N 2 1 240.351 0.130 20 0 BCADMP CO[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000395326608 386813835 /nfs/dbraw/zinc/81/38/35/386813835.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000395326608 386813842 /nfs/dbraw/zinc/81/38/42/386813842.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000395326608 386813849 /nfs/dbraw/zinc/81/38/49/386813849.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000395326608 386813852 /nfs/dbraw/zinc/81/38/52/386813852.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000395326608 386813858 /nfs/dbraw/zinc/81/38/58/386813858.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 1 242.363 0.552 20 0 BCADMP C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@H+]1C ZINC000418010790 386891973 /nfs/dbraw/zinc/89/19/73/386891973.db2.gz WEACIKKTWJJNHL-NXEZZACHSA-N 2 1 242.367 0.506 20 0 BCADMP COC(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336675163 386855023 /nfs/dbraw/zinc/85/50/23/386855023.db2.gz VCTLBEMMRIHCDT-QWRGUYRKSA-N 2 1 226.320 0.481 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336744610 386871056 /nfs/dbraw/zinc/87/10/56/386871056.db2.gz ZNRPRKFUHXFRGC-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP CC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336744610 386871060 /nfs/dbraw/zinc/87/10/60/386871060.db2.gz ZNRPRKFUHXFRGC-MNOVXSKESA-N 2 1 216.325 0.068 20 0 BCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000341263507 386871271 /nfs/dbraw/zinc/87/12/71/386871271.db2.gz PFXXSYOKPXPWJY-WOPDTQHZSA-N 2 1 241.379 0.498 20 0 BCADMP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418011573 386899584 /nfs/dbraw/zinc/89/95/84/386899584.db2.gz XADZEOQSPWNBHA-UKKRHICBSA-N 2 1 242.367 0.504 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000418012778 386906184 /nfs/dbraw/zinc/90/61/84/386906184.db2.gz YKNSVOBQXYXWLB-LPEHRKFASA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000418012773 386906519 /nfs/dbraw/zinc/90/65/19/386906519.db2.gz YKNSVOBQXYXWLB-AEJSXWLSSA-N 2 1 228.340 0.116 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCC[N@H+]1C ZINC000418013789 386922387 /nfs/dbraw/zinc/92/23/87/386922387.db2.gz ZQPVRIPNUXOEKC-MXWKQRLJSA-N 2 1 240.351 0.130 20 0 BCADMP CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000334867067 386924301 /nfs/dbraw/zinc/92/43/01/386924301.db2.gz ZPLQNSZDLVCPIE-LLVKDONJSA-N 3 1 211.353 0.718 20 0 BCADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984470 386925383 /nfs/dbraw/zinc/92/53/83/386925383.db2.gz XQTDFTBFVAPKOV-LBPRGKRZSA-N 2 1 241.379 0.916 20 0 BCADMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000368007792 386929238 /nfs/dbraw/zinc/92/92/38/386929238.db2.gz RDHVALGQWZNWOH-IWSPIJDZSA-N 2 1 247.289 0.179 20 0 BCADMP Cn1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000368221957 386953424 /nfs/dbraw/zinc/95/34/24/386953424.db2.gz JWEMYIFMPAGPGH-VIFPVBQESA-N 2 1 231.303 0.790 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCC[NH2+]1 ZINC000332222333 386969009 /nfs/dbraw/zinc/96/90/09/386969009.db2.gz JMOGOXICZLBAEU-YUSALJHKSA-N 2 1 234.347 0.997 20 0 BCADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)C[C@@H](C)O1 ZINC000518995658 386978832 /nfs/dbraw/zinc/97/88/32/386978832.db2.gz DXLLQAJZMDKSAM-JHJVBQTASA-N 2 1 244.379 0.798 20 0 BCADMP C[N@H+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000368509377 386981100 /nfs/dbraw/zinc/98/11/00/386981100.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 2 1 249.362 0.835 20 0 BCADMP C[N@@H+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000368509377 386981106 /nfs/dbraw/zinc/98/11/06/386981106.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 2 1 249.362 0.835 20 0 BCADMP C[NH+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368509377 386981109 /nfs/dbraw/zinc/98/11/09/386981109.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 2 1 249.362 0.835 20 0 BCADMP C[NH+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000368509377 386981112 /nfs/dbraw/zinc/98/11/12/386981112.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 2 1 249.362 0.835 20 0 BCADMP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000334920883 386997287 /nfs/dbraw/zinc/99/72/87/386997287.db2.gz BOFFHYPHPRCRNU-GHMZBOCLSA-N 2 1 240.351 0.084 20 0 BCADMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358730594 387003998 /nfs/dbraw/zinc/00/39/98/387003998.db2.gz BMMFCYATLNBGLR-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@H](C[NH3+])CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334955432 387034680 /nfs/dbraw/zinc/03/46/80/387034680.db2.gz HKKKUMSLGKGDEF-MNOVXSKESA-N 2 1 242.367 0.317 20 0 BCADMP C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000334958371 387037067 /nfs/dbraw/zinc/03/70/67/387037067.db2.gz OTPRVYVKKKXXAX-LLVKDONJSA-N 2 1 240.351 0.086 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648107857 387049405 /nfs/dbraw/zinc/04/94/05/387049405.db2.gz WKXBFRBHBWXVRI-DDHJBXDOSA-N 2 1 239.363 0.522 20 0 BCADMP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336221685 387061055 /nfs/dbraw/zinc/06/10/55/387061055.db2.gz CMVNVXOMOZMVFN-GFCCVEGCSA-N 2 1 245.342 0.487 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336221685 387061059 /nfs/dbraw/zinc/06/10/59/387061059.db2.gz CMVNVXOMOZMVFN-GFCCVEGCSA-N 2 1 245.342 0.487 20 0 BCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000053298570 387021972 /nfs/dbraw/zinc/02/19/72/387021972.db2.gz PSYYHDPBYOPHEG-UHFFFAOYSA-N 2 1 239.363 0.683 20 0 BCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000053298566 387022553 /nfs/dbraw/zinc/02/25/53/387022553.db2.gz CEDRJWXWKCOQFL-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@@H]1CCC[NH2+]1 ZINC000333241110 387023343 /nfs/dbraw/zinc/02/33/43/387023343.db2.gz DXKCCZZFZKISFM-GVXVVHGQSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882571 387025692 /nfs/dbraw/zinc/02/56/92/387025692.db2.gz PKUPXOQWRRPMQA-MNOVXSKESA-N 2 1 239.363 0.585 20 0 BCADMP C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000333339496 387028372 /nfs/dbraw/zinc/02/83/72/387028372.db2.gz XSYRGSXXDUDTIY-NQBHXWOUSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)[C@H]1CCCC[NH2+]1 ZINC000333339491 387028539 /nfs/dbraw/zinc/02/85/39/387028539.db2.gz XSYRGSXXDUDTIY-LOWVWBTDSA-N 2 1 239.363 0.775 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334983078 387069405 /nfs/dbraw/zinc/06/94/05/387069405.db2.gz CYUBTINZYAVQQZ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334983078 387069409 /nfs/dbraw/zinc/06/94/09/387069409.db2.gz CYUBTINZYAVQQZ-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@@H+](C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256270 387074724 /nfs/dbraw/zinc/07/47/24/387074724.db2.gz LUJMTXYBKKDLPS-LLVKDONJSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995260 387086067 /nfs/dbraw/zinc/08/60/67/387086067.db2.gz YNWKQWJRBKSSLJ-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995260 387086069 /nfs/dbraw/zinc/08/60/69/387086069.db2.gz YNWKQWJRBKSSLJ-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423300381 387131703 /nfs/dbraw/zinc/13/17/03/387131703.db2.gz RLSRYZSQRMEVCA-JFGNBEQYSA-N 2 1 211.353 0.654 20 0 BCADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423300381 387131704 /nfs/dbraw/zinc/13/17/04/387131704.db2.gz RLSRYZSQRMEVCA-JFGNBEQYSA-N 2 1 211.353 0.654 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000571760246 387163655 /nfs/dbraw/zinc/16/36/55/387163655.db2.gz OXSMPYCVNCDXAN-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCC1 ZINC000423324520 387167120 /nfs/dbraw/zinc/16/71/20/387167120.db2.gz KIYCPWSMTHYOEP-CMPLNLGQSA-N 2 1 223.364 0.940 20 0 BCADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423324520 387167123 /nfs/dbraw/zinc/16/71/23/387167123.db2.gz KIYCPWSMTHYOEP-CMPLNLGQSA-N 2 1 223.364 0.940 20 0 BCADMP COCCC[N@@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911905 387173127 /nfs/dbraw/zinc/17/31/27/387173127.db2.gz DPLZWVHRLILAIE-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP C[N@@H+](CCO)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206377 387173119 /nfs/dbraw/zinc/17/31/19/387173119.db2.gz YKEZBSCOUDFVQV-ZDUSSCGKSA-N 2 1 241.379 0.079 20 0 BCADMP CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371223739 387177588 /nfs/dbraw/zinc/17/75/88/387177588.db2.gz RTBQHFASJFTTJP-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423343574 387193644 /nfs/dbraw/zinc/19/36/44/387193644.db2.gz MAAOVJFIEKIQPL-BDAKNGLRSA-N 2 1 221.295 0.701 20 0 BCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000418180449 387193714 /nfs/dbraw/zinc/19/37/14/387193714.db2.gz HISALEXXDCMDJX-NSHDSACASA-N 2 1 242.367 0.461 20 0 BCADMP C[C@H](NCC(F)(F)C[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423333353 387181878 /nfs/dbraw/zinc/18/18/78/387181878.db2.gz FEPTWMQTNLBAGO-IUCAKERBSA-N 2 1 221.295 0.701 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261912 387182976 /nfs/dbraw/zinc/18/29/76/387182976.db2.gz FNTMVNVSWPHLPU-SDDRHHMPSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261764 387183198 /nfs/dbraw/zinc/18/31/98/387183198.db2.gz CRMCSGUUJVWIQA-GMTAPVOTSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423304175 387136637 /nfs/dbraw/zinc/13/66/37/387136637.db2.gz NKGPZKOINXECST-SDDRHHMPSA-N 2 1 223.364 0.953 20 0 BCADMP C[C@H]([NH2+]C[C@H]1CCCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000643494842 387137662 /nfs/dbraw/zinc/13/76/62/387137662.db2.gz OQVNVLJWVYIVCK-TUAOUCFPSA-N 2 1 239.363 0.633 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248488855 387138870 /nfs/dbraw/zinc/13/88/70/387138870.db2.gz MPNKOCCDGXTYSA-NOOOWODRSA-N 2 1 239.363 0.665 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000186805612 387140884 /nfs/dbraw/zinc/14/08/84/387140884.db2.gz YZAFMBYKOWIVKU-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000186805612 387140886 /nfs/dbraw/zinc/14/08/86/387140886.db2.gz YZAFMBYKOWIVKU-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000300418290 387208990 /nfs/dbraw/zinc/20/89/90/387208990.db2.gz MVMGRKJPDCPJBB-MROQNXINSA-N 2 1 244.379 0.966 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH3+] ZINC000418198007 387212221 /nfs/dbraw/zinc/21/22/21/387212221.db2.gz KSKKOHCBAZRUBU-SNVBAGLBSA-N 2 1 230.356 0.365 20 0 BCADMP C[NH+](CCC[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353485631 387212755 /nfs/dbraw/zinc/21/27/55/387212755.db2.gz UONYTXYUBSJOSL-UHFFFAOYSA-N 2 1 242.363 0.287 20 0 BCADMP C[NH+](CCC[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000353485631 387212757 /nfs/dbraw/zinc/21/27/57/387212757.db2.gz UONYTXYUBSJOSL-UHFFFAOYSA-N 2 1 242.363 0.287 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000418196453 387216652 /nfs/dbraw/zinc/21/66/52/387216652.db2.gz HLAZWEXBYVMURX-MNOVXSKESA-N 2 1 244.383 0.752 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000418203876 387218188 /nfs/dbraw/zinc/21/81/88/387218188.db2.gz WLTJZCVFPDZUGK-QWRGUYRKSA-N 2 1 244.383 0.752 20 0 BCADMP CC[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423367082 387218164 /nfs/dbraw/zinc/21/81/64/387218164.db2.gz YOQWJBUNWZRDCN-UHFFFAOYSA-N 2 1 213.325 0.183 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCC[NH3+] ZINC000418205924 387220054 /nfs/dbraw/zinc/22/00/54/387220054.db2.gz ZWSSOOVXDQATQL-NSHDSACASA-N 2 1 244.383 0.753 20 0 BCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000353513198 387220297 /nfs/dbraw/zinc/22/02/97/387220297.db2.gz KRIJDTBLTZJGFI-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353520987 387220694 /nfs/dbraw/zinc/22/06/94/387220694.db2.gz QPEUVYMFDYCPGN-LPWJVIDDSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423398857 387235842 /nfs/dbraw/zinc/23/58/42/387235842.db2.gz UIRAZIQCDUGPOT-RHYQMDGZSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423398857 387235846 /nfs/dbraw/zinc/23/58/46/387235846.db2.gz UIRAZIQCDUGPOT-RHYQMDGZSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174434 387240193 /nfs/dbraw/zinc/24/01/93/387240193.db2.gz BBAWGDPLNDEZJP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174434 387240196 /nfs/dbraw/zinc/24/01/96/387240196.db2.gz BBAWGDPLNDEZJP-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423408293 387242506 /nfs/dbraw/zinc/24/25/06/387242506.db2.gz XFBIRXWCIYHHTQ-WZRBSPASSA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C(C)C ZINC000423406813 387244513 /nfs/dbraw/zinc/24/45/13/387244513.db2.gz VCHUCMZVRGHTEI-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP COC[C@]1(C[NH2+][C@H](C)CCCC[NH3+])CCCN1 ZINC000423412580 387246389 /nfs/dbraw/zinc/24/63/89/387246389.db2.gz IAZBOLVDMFEBHB-CHWSQXEVSA-N 2 1 243.395 0.862 20 0 BCADMP COC[C@]1(CN[C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412580 387246395 /nfs/dbraw/zinc/24/63/95/387246395.db2.gz IAZBOLVDMFEBHB-CHWSQXEVSA-N 2 1 243.395 0.862 20 0 BCADMP COC[C@@]1(C[NH2+][C@@H](C)CCCC[NH3+])CCCN1 ZINC000423412583 387246490 /nfs/dbraw/zinc/24/64/90/387246490.db2.gz IAZBOLVDMFEBHB-STQMWFEESA-N 2 1 243.395 0.862 20 0 BCADMP COC[C@@]1(CN[C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412583 387246494 /nfs/dbraw/zinc/24/64/94/387246494.db2.gz IAZBOLVDMFEBHB-STQMWFEESA-N 2 1 243.395 0.862 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423408764 387247233 /nfs/dbraw/zinc/24/72/33/387247233.db2.gz XXXLFWIZUKVGIU-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@H+]1C1CC1 ZINC000423419715 387247834 /nfs/dbraw/zinc/24/78/34/387247834.db2.gz AMHVNOFOUKLEGO-MIJXAVMKSA-N 2 1 249.358 0.480 20 0 BCADMP O=C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000162040064 387249556 /nfs/dbraw/zinc/24/95/56/387249556.db2.gz AYEYRUHJTMUZHD-NEPJUHHUSA-N 2 1 237.347 0.293 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1NCC(F)(F)C[NH3+] ZINC000423348434 387200167 /nfs/dbraw/zinc/20/01/67/387200167.db2.gz TWZJJDQBCLZHQH-JGVFFNPUSA-N 2 1 207.268 0.168 20 0 BCADMP C[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C[C@H]1C[NH3+] ZINC000571935990 387201580 /nfs/dbraw/zinc/20/15/80/387201580.db2.gz RNWMMUIDTSNCPS-DTWKUNHWSA-N 2 1 249.305 0.414 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000423467327 387315490 /nfs/dbraw/zinc/31/54/90/387315490.db2.gz DQICVUHWZGEZHE-AXFHLTTASA-N 2 1 247.333 0.913 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378700 387259984 /nfs/dbraw/zinc/25/99/84/387259984.db2.gz MQOIIVXBHODTLL-IRCOFANPSA-N 2 1 211.353 0.667 20 0 BCADMP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378700 387259988 /nfs/dbraw/zinc/25/99/88/387259988.db2.gz MQOIIVXBHODTLL-IRCOFANPSA-N 2 1 211.353 0.667 20 0 BCADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423382344 387265722 /nfs/dbraw/zinc/26/57/22/387265722.db2.gz OJSIRGXFHRMHIG-TUAOUCFPSA-N 2 1 213.369 0.914 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)c2coc(C[NH3+])c2)C1 ZINC000645684706 387267436 /nfs/dbraw/zinc/26/74/36/387267436.db2.gz DTNGVKNNRZJJLR-SNVBAGLBSA-N 2 1 237.303 0.562 20 0 BCADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000352511880 387268940 /nfs/dbraw/zinc/26/89/40/387268940.db2.gz UCDLKMPKGBRVIW-LBPRGKRZSA-N 2 1 239.363 0.812 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645684891 387269466 /nfs/dbraw/zinc/26/94/66/387269466.db2.gz LXDGDUHNVNKYNB-NXEZZACHSA-N 2 1 225.336 0.195 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645684894 387270253 /nfs/dbraw/zinc/27/02/53/387270253.db2.gz LXDGDUHNVNKYNB-ZJUUUORDSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387837 387271946 /nfs/dbraw/zinc/27/19/46/387271946.db2.gz KEWAWQUWCVOZFK-WHOHXGKFSA-N 2 1 213.369 0.913 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246137 387278745 /nfs/dbraw/zinc/27/87/45/387278745.db2.gz PHCMHIOLXOYVMV-NSHDSACASA-N 2 1 239.363 0.573 20 0 BCADMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392336 387279011 /nfs/dbraw/zinc/27/90/11/387279011.db2.gz QFIYQSPKMRTAHL-WZRBSPASSA-N 2 1 235.331 0.045 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732457 387281973 /nfs/dbraw/zinc/28/19/73/387281973.db2.gz IWSUGQBQVVRXMS-TUAOUCFPSA-N 2 1 239.363 0.714 20 0 BCADMP COC[C@]1(C[NH2+][C@H](C)[C@@H](C)OC)CCC[NH2+]1 ZINC000423431457 387284241 /nfs/dbraw/zinc/28/42/41/387284241.db2.gz QOMOOJOCCCPYFV-IJLUTSLNSA-N 2 1 230.352 0.768 20 0 BCADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000572257671 387288075 /nfs/dbraw/zinc/28/80/75/387288075.db2.gz ZUMGEDRHPCNBAR-FRRDWIJNSA-N 3 1 241.379 0.303 20 0 BCADMP CC[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423441200 387291407 /nfs/dbraw/zinc/29/14/07/387291407.db2.gz AZVSATVIWNAVTD-OUAUKWLOSA-N 2 1 211.353 0.939 20 0 BCADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000121098515 387294047 /nfs/dbraw/zinc/29/40/47/387294047.db2.gz BZNDKDPOUFGXPI-LLVKDONJSA-N 2 1 225.336 0.291 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423448552 387296817 /nfs/dbraw/zinc/29/68/17/387296817.db2.gz QKMPTDQMMJPGNE-WDCWCFNPSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423448552 387296822 /nfs/dbraw/zinc/29/68/22/387296822.db2.gz QKMPTDQMMJPGNE-WDCWCFNPSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423448551 387297191 /nfs/dbraw/zinc/29/71/91/387297191.db2.gz QKMPTDQMMJPGNE-QFOLPQNPSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423448551 387297194 /nfs/dbraw/zinc/29/71/94/387297194.db2.gz QKMPTDQMMJPGNE-QFOLPQNPSA-N 2 1 211.353 0.794 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865435 387301374 /nfs/dbraw/zinc/30/13/74/387301374.db2.gz UWKANUWXIDWLQF-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC(=O)NCC1CC1 ZINC000392999755 387307793 /nfs/dbraw/zinc/30/77/93/387307793.db2.gz WKVZYYJMTZXVFZ-PWSUYJOCSA-N 2 1 239.363 0.633 20 0 BCADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000354291773 387356437 /nfs/dbraw/zinc/35/64/37/387356437.db2.gz PEJNUMALFPYHOH-NWDGAFQWSA-N 2 1 239.363 0.537 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000515312691 387359235 /nfs/dbraw/zinc/35/92/35/387359235.db2.gz UMTFEDTXTHLYLM-MRVPVSSYSA-N 2 1 235.278 0.050 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544421 387368095 /nfs/dbraw/zinc/36/80/95/387368095.db2.gz CZZUSDIUWYTGML-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000515346115 387368185 /nfs/dbraw/zinc/36/81/85/387368185.db2.gz OCOGNYCFQGKWKC-FRRDWIJNSA-N 2 1 242.363 0.912 20 0 BCADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643503029 387368409 /nfs/dbraw/zinc/36/84/09/387368409.db2.gz ZEEAMYDBWIMRLE-QWRGUYRKSA-N 2 1 239.363 0.775 20 0 BCADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643503029 387368413 /nfs/dbraw/zinc/36/84/13/387368413.db2.gz ZEEAMYDBWIMRLE-QWRGUYRKSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H](C[C@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000423554192 387372210 /nfs/dbraw/zinc/37/22/10/387372210.db2.gz LKRNSWLWSGEORK-AAEUAGOBSA-N 2 1 241.379 0.485 20 0 BCADMP CCC[C@@H](C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000423550324 387373724 /nfs/dbraw/zinc/37/37/24/387373724.db2.gz SUKDXJMHOODXBU-QMMMGPOBSA-N 2 1 237.294 0.427 20 0 BCADMP CC[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396672018 387382002 /nfs/dbraw/zinc/38/20/02/387382002.db2.gz RTEUDFRQKHRXLM-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@H]1CC1(C)C ZINC000423485537 387332096 /nfs/dbraw/zinc/33/20/96/387332096.db2.gz AVMJIMPRUQYEIU-QJPTWQEYSA-N 2 1 225.380 0.914 20 0 BCADMP CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000354143476 387337031 /nfs/dbraw/zinc/33/70/31/387337031.db2.gz NKKXYCQSRWJUQD-LLVKDONJSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336559307 387383265 /nfs/dbraw/zinc/38/32/65/387383265.db2.gz DRJAFJLYVRGSSG-RYUDHWBXSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373028086 387343266 /nfs/dbraw/zinc/34/32/66/387343266.db2.gz HZKLTHUXYXVSKW-WOPDTQHZSA-N 2 1 239.363 0.666 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000423506617 387345835 /nfs/dbraw/zinc/34/58/35/387345835.db2.gz HIJZTCPXTFEJDS-NWDGAFQWSA-N 2 1 211.353 0.668 20 0 BCADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423513464 387348523 /nfs/dbraw/zinc/34/85/23/387348523.db2.gz LRBJBSWSODLGHF-WCQYABFASA-N 2 1 237.347 0.704 20 0 BCADMP COCC[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501248 387352686 /nfs/dbraw/zinc/35/26/86/387352686.db2.gz AWHPBNBNMIKHKH-QWHCGFSZSA-N 2 1 241.379 0.439 20 0 BCADMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423785383 387425662 /nfs/dbraw/zinc/42/56/62/387425662.db2.gz SYQKALCHCSYHLB-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000423789536 387427578 /nfs/dbraw/zinc/42/75/78/387427578.db2.gz ATPSPIFRADBZBG-LLVKDONJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423844574 387433403 /nfs/dbraw/zinc/43/34/03/387433403.db2.gz JDQPQCHMQXOTHW-NXEZZACHSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423848655 387433812 /nfs/dbraw/zinc/43/38/12/387433812.db2.gz OHXFDLHBVRMIOM-LBPRGKRZSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515846279 387435667 /nfs/dbraw/zinc/43/56/67/387435667.db2.gz MJWDEWKAMPDUIE-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP C[C@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515846279 387435670 /nfs/dbraw/zinc/43/56/70/387435670.db2.gz MJWDEWKAMPDUIE-RWMBFGLXSA-N 2 1 239.363 0.143 20 0 BCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423953210 387457182 /nfs/dbraw/zinc/45/71/82/387457182.db2.gz AXSUTXGEAXXRRB-GRYCIOLGSA-N 2 1 239.363 0.666 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423974749 387459860 /nfs/dbraw/zinc/45/98/60/387459860.db2.gz LDFILNOEFPLSRH-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000423751953 387409881 /nfs/dbraw/zinc/40/98/81/387409881.db2.gz AIDYCFYVTASSIP-QWRGUYRKSA-N 2 1 229.368 0.818 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000423765970 387411270 /nfs/dbraw/zinc/41/12/70/387411270.db2.gz CCMJXMIASFSURC-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000423769236 387417899 /nfs/dbraw/zinc/41/78/99/387417899.db2.gz GAZDSRMHUALZBO-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000423776979 387422290 /nfs/dbraw/zinc/42/22/90/387422290.db2.gz QXOFSAXHCHZMAC-UTUOFQBUSA-N 2 1 239.363 0.809 20 0 BCADMP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000423776983 387422583 /nfs/dbraw/zinc/42/25/83/387422583.db2.gz QXOFSAXHCHZMAC-WOPDTQHZSA-N 2 1 239.363 0.809 20 0 BCADMP C[C@@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474907 387496543 /nfs/dbraw/zinc/49/65/43/387496543.db2.gz MDAMZZNTSZATSU-YVECIDJPSA-N 2 1 241.379 0.436 20 0 BCADMP C[C@@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474907 387496547 /nfs/dbraw/zinc/49/65/47/387496547.db2.gz MDAMZZNTSZATSU-YVECIDJPSA-N 2 1 241.379 0.436 20 0 BCADMP Cc1c[nH]nc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352810092 387501958 /nfs/dbraw/zinc/50/19/58/387501958.db2.gz LJLQNDUOMSPFEP-UHFFFAOYSA-N 2 1 238.335 0.264 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648110423 387502454 /nfs/dbraw/zinc/50/24/54/387502454.db2.gz JGNWGZHLXQCQIC-SNVBAGLBSA-N 2 1 225.336 0.149 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355327929 387518497 /nfs/dbraw/zinc/51/84/97/387518497.db2.gz WUJWOIREXRFEFK-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355327467 387521547 /nfs/dbraw/zinc/52/15/47/387521547.db2.gz WUJWOIREXRFEFK-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000361724730 387526621 /nfs/dbraw/zinc/52/66/21/387526621.db2.gz APXMZVAPVHSHEK-TUAOUCFPSA-N 2 1 237.347 0.420 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000424001802 387463829 /nfs/dbraw/zinc/46/38/29/387463829.db2.gz IBRKSAJFECTQHY-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423997943 387464151 /nfs/dbraw/zinc/46/41/51/387464151.db2.gz MABJEPWHWUAXAH-NWDGAFQWSA-N 2 1 241.379 0.772 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424007347 387465850 /nfs/dbraw/zinc/46/58/50/387465850.db2.gz VGRGZBPXHCQTEH-VXGBXAGGSA-N 2 1 241.379 0.770 20 0 BCADMP C[C@@H](O)C[N@@H+](C)C/C=C\C[NH+](C)C[C@H](C)O ZINC000361499870 387473886 /nfs/dbraw/zinc/47/38/86/387473886.db2.gz WOQQEXFDSULKBT-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C\C[N@H+](C)C[C@H](C)O ZINC000361499870 387473887 /nfs/dbraw/zinc/47/38/87/387473887.db2.gz WOQQEXFDSULKBT-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP C[C@@H](O)C[NH+](C)C/C=C\C[N@@H+](C)C[C@H](C)O ZINC000361499870 387473892 /nfs/dbraw/zinc/47/38/92/387473892.db2.gz WOQQEXFDSULKBT-DLXAAPBESA-N 2 1 230.352 0.168 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507196 387474650 /nfs/dbraw/zinc/47/46/50/387474650.db2.gz VNVFJIJJSVVZSB-GXFFZTMASA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507195 387475392 /nfs/dbraw/zinc/47/53/92/387475392.db2.gz VNVFJIJJSVVZSB-GWCFXTLKSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1C[C@H](NCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000643507033 387476168 /nfs/dbraw/zinc/47/61/68/387476168.db2.gz QHDRALUKWTWPNE-JQWIXIFHSA-N 2 1 223.364 0.953 20 0 BCADMP Cc1cnn(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000304437639 387480741 /nfs/dbraw/zinc/48/07/41/387480741.db2.gz URNWZZSMETZMPP-NWDGAFQWSA-N 2 1 222.336 0.861 20 0 BCADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848632 387587451 /nfs/dbraw/zinc/58/74/51/387587451.db2.gz LFTMRJUSFLDXCP-NWDGAFQWSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCO)CCN1C ZINC000123703101 387591784 /nfs/dbraw/zinc/59/17/84/387591784.db2.gz KSHFMARJOHHYHU-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@H]([N@H+](C)CCOCCO)CC[NH+]1C ZINC000123703101 387591794 /nfs/dbraw/zinc/59/17/94/387591794.db2.gz KSHFMARJOHHYHU-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCO)CC[NH+]1C ZINC000123703101 387591798 /nfs/dbraw/zinc/59/17/98/387591798.db2.gz KSHFMARJOHHYHU-VXGBXAGGSA-N 2 1 230.352 0.410 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN1CCOCC1 ZINC000123715977 387592468 /nfs/dbraw/zinc/59/24/68/387592468.db2.gz COZGDFRLWKYAQQ-ZDUSSCGKSA-N 2 1 243.395 0.624 20 0 BCADMP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422603799 387605933 /nfs/dbraw/zinc/60/59/33/387605933.db2.gz ADFSFYYMYVYADX-WDEREUQCSA-N 2 1 242.367 0.317 20 0 BCADMP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422614451 387607772 /nfs/dbraw/zinc/60/77/72/387607772.db2.gz YQVCKGUWZKYXKO-WDEREUQCSA-N 2 1 242.367 0.459 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC000362398560 387609008 /nfs/dbraw/zinc/60/90/08/387609008.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 1 239.363 0.492 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687716 387612633 /nfs/dbraw/zinc/61/26/33/387612633.db2.gz BYKASLQYIHTPCT-YNEHKIRRSA-N 2 1 225.380 0.916 20 0 BCADMP C[C@H](O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124386750 387615498 /nfs/dbraw/zinc/61/54/98/387615498.db2.gz PZAQLGYUYKBQDI-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP C[C@H](O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124386750 387615503 /nfs/dbraw/zinc/61/55/03/387615503.db2.gz PZAQLGYUYKBQDI-QWRGUYRKSA-N 2 1 200.326 0.783 20 0 BCADMP CC[N@@H+](C)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422709764 387623915 /nfs/dbraw/zinc/62/39/15/387623915.db2.gz DYVZCSNMEMYVIW-OLZOCXBDSA-N 2 1 241.379 0.295 20 0 BCADMP CC[C@@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCC[NH2+]1 ZINC000422712461 387626316 /nfs/dbraw/zinc/62/63/16/387626316.db2.gz OFWPOYOYJJVPQS-TUAOUCFPSA-N 2 1 228.336 0.522 20 0 BCADMP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000422038868 387544944 /nfs/dbraw/zinc/54/49/44/387544944.db2.gz QSDGLYUZQHBILJ-NWDGAFQWSA-N 2 1 241.379 0.879 20 0 BCADMP CC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305685274 387627167 /nfs/dbraw/zinc/62/71/67/387627167.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000305685274 387627171 /nfs/dbraw/zinc/62/71/71/387627171.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CC[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000305685274 387627174 /nfs/dbraw/zinc/62/71/74/387627174.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 2 1 200.326 0.785 20 0 BCADMP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000426316584 387555183 /nfs/dbraw/zinc/55/51/83/387555183.db2.gz HHOCCKIWYVHSJZ-JTQLQIEISA-N 2 1 241.379 0.973 20 0 BCADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)[NH3+] ZINC000399640653 387564014 /nfs/dbraw/zinc/56/40/14/387564014.db2.gz KCBGKNDBRBCNHM-SRVKXCTJSA-N 2 1 241.379 0.816 20 0 BCADMP CC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630527 /nfs/dbraw/zinc/63/05/27/387630527.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP CCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630530 /nfs/dbraw/zinc/63/05/30/387630530.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 2 1 213.369 0.916 20 0 BCADMP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCN(C2CC2)C1=O ZINC000430603629 387633596 /nfs/dbraw/zinc/63/35/96/387633596.db2.gz YVXUHQNADADQHY-NSHDSACASA-N 2 1 239.363 0.666 20 0 BCADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCN(C2CC2)C1=O ZINC000430603629 387633597 /nfs/dbraw/zinc/63/35/97/387633597.db2.gz YVXUHQNADADQHY-NSHDSACASA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422734824 387644093 /nfs/dbraw/zinc/64/40/93/387644093.db2.gz CZZGNRMMELYPSI-WOPDTQHZSA-N 2 1 213.369 0.914 20 0 BCADMP Cc1cccc(NCCNC(=O)CCC[NH3+])[nH+]1 ZINC000430719031 387644303 /nfs/dbraw/zinc/64/43/03/387644303.db2.gz IQELXMYZZROKJL-UHFFFAOYSA-N 2 1 236.319 0.657 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430749853 387646286 /nfs/dbraw/zinc/64/62/86/387646286.db2.gz XQBUVZPRLSIDPC-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527757039 387695201 /nfs/dbraw/zinc/69/52/01/387695201.db2.gz CEUREVWRWBVKRK-VXGBXAGGSA-N 2 1 228.336 0.210 20 0 BCADMP C[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430749854 387647031 /nfs/dbraw/zinc/64/70/31/387647031.db2.gz XQBUVZPRLSIDPC-QWRGUYRKSA-N 2 1 227.352 0.585 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000430802806 387651013 /nfs/dbraw/zinc/65/10/13/387651013.db2.gz OFXGRIOYBZKCSS-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422748142 387653404 /nfs/dbraw/zinc/65/34/04/387653404.db2.gz SDZWAEMHVQJBME-MNOVXSKESA-N 2 1 239.363 0.762 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])C[C@@H]1C ZINC000430803586 387654191 /nfs/dbraw/zinc/65/41/91/387654191.db2.gz VMHHSFZWILSKJN-WDEREUQCSA-N 2 1 227.352 0.666 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430809262 387654917 /nfs/dbraw/zinc/65/49/17/387654917.db2.gz PGYSQJRHFQPRSE-GFCCVEGCSA-N 2 1 239.363 0.526 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430896927 387657826 /nfs/dbraw/zinc/65/78/26/387657826.db2.gz LRKJVBATWGHPFJ-CMPLNLGQSA-N 2 1 239.363 0.537 20 0 BCADMP CN(C(=O)CCC[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000430899809 387659205 /nfs/dbraw/zinc/65/92/05/387659205.db2.gz NMRFWPMFIOZUSZ-NSHDSACASA-N 2 1 225.336 0.420 20 0 BCADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000430919670 387660400 /nfs/dbraw/zinc/66/04/00/387660400.db2.gz MAXHRFWUFWOTJC-YUSALJHKSA-N 2 1 237.347 0.419 20 0 BCADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)CC[C@H]1[NH3+] ZINC000430919670 387660402 /nfs/dbraw/zinc/66/04/02/387660402.db2.gz MAXHRFWUFWOTJC-YUSALJHKSA-N 2 1 237.347 0.419 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430921945 387660708 /nfs/dbraw/zinc/66/07/08/387660708.db2.gz VXYCHVSSJFGENO-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424136582 387662272 /nfs/dbraw/zinc/66/22/72/387662272.db2.gz QYHUYVKBHFQNOJ-MXWKQRLJSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H](CN)[N@H+](C)CCC(=O)NC1CCCC1 ZINC000430970214 387664961 /nfs/dbraw/zinc/66/49/61/387664961.db2.gz GNGPAJYTVYKOHH-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000431022323 387670105 /nfs/dbraw/zinc/67/01/05/387670105.db2.gz NICAIGMHNQUEJZ-GUBZILKMSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000431022325 387670558 /nfs/dbraw/zinc/67/05/58/387670558.db2.gz NICAIGMHNQUEJZ-LPEHRKFASA-N 2 1 225.336 0.465 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])C[N@H+]1C1CC1 ZINC000431027952 387671052 /nfs/dbraw/zinc/67/10/52/387671052.db2.gz ZPAHDVCCEIZOHM-NXEZZACHSA-N 2 1 239.363 0.713 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000431051475 387672816 /nfs/dbraw/zinc/67/28/16/387672816.db2.gz PDNSMNVDLHRLFL-UHFFFAOYSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139007 387674998 /nfs/dbraw/zinc/67/49/98/387674998.db2.gz DRTYCTNMYTYPDW-ZDCRXTMVSA-N 2 1 223.320 0.029 20 0 BCADMP COCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422785325 387682564 /nfs/dbraw/zinc/68/25/64/387682564.db2.gz QVEOMKTZDYBQKV-NWDGAFQWSA-N 2 1 229.368 0.424 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422787279 387686670 /nfs/dbraw/zinc/68/66/70/387686670.db2.gz UMNJASSIMBJYSK-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COCCCN(C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422787279 387686676 /nfs/dbraw/zinc/68/66/76/387686676.db2.gz UMNJASSIMBJYSK-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422787277 387686837 /nfs/dbraw/zinc/68/68/37/387686837.db2.gz UMNJASSIMBJYSK-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP COCCCN(C)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422787277 387686842 /nfs/dbraw/zinc/68/68/42/387686842.db2.gz UMNJASSIMBJYSK-OLZOCXBDSA-N 2 1 243.395 0.672 20 0 BCADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000422742953 387688435 /nfs/dbraw/zinc/68/84/35/387688435.db2.gz HJQUWHPLFREFLI-NEPJUHHUSA-N 3 1 213.369 0.916 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422743155 387689285 /nfs/dbraw/zinc/68/92/85/387689285.db2.gz IBPARIMWEBVKGU-GHMZBOCLSA-N 2 1 239.363 0.620 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422744181 387690038 /nfs/dbraw/zinc/69/00/38/387690038.db2.gz SKSOKIUJVJNKSJ-NQBHXWOUSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743553 387690703 /nfs/dbraw/zinc/69/07/03/387690703.db2.gz RSALLRSFYKULGN-NQBHXWOUSA-N 2 1 223.364 0.953 20 0 BCADMP CC[C@H]([NH2+][C@@H]1CCC(=O)NC1)[C@@H]1CCCC[NH2+]1 ZINC000422743730 387690947 /nfs/dbraw/zinc/69/09/47/387690947.db2.gz JCSGDWIRKJMUCG-WOPDTQHZSA-N 2 1 239.363 0.775 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422744179 387691050 /nfs/dbraw/zinc/69/10/50/387691050.db2.gz SKSOKIUJVJNKSJ-MDZLAQPJSA-N 2 1 223.364 0.811 20 0 BCADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422743157 387691093 /nfs/dbraw/zinc/69/10/93/387691093.db2.gz IBPARIMWEBVKGU-QWRGUYRKSA-N 2 1 239.363 0.620 20 0 BCADMP C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862207 387743950 /nfs/dbraw/zinc/74/39/50/387743950.db2.gz PISMDUHMYFMUJG-NWDGAFQWSA-N 2 1 225.380 0.916 20 0 BCADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422871841 387750253 /nfs/dbraw/zinc/75/02/53/387750253.db2.gz ZUFQTKIMYPIRBR-FRRDWIJNSA-N 2 1 243.395 0.813 20 0 BCADMP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422871841 387750260 /nfs/dbraw/zinc/75/02/60/387750260.db2.gz ZUFQTKIMYPIRBR-FRRDWIJNSA-N 2 1 243.395 0.813 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000422872949 387751560 /nfs/dbraw/zinc/75/15/60/387751560.db2.gz JHGVLCJWBNEHCL-FRRDWIJNSA-N 2 1 242.363 0.770 20 0 BCADMP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000377346120 387709653 /nfs/dbraw/zinc/70/96/53/387709653.db2.gz ONHCLKRDISVZSR-SKDRFNHKSA-N 2 1 243.326 0.287 20 0 BCADMP COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000127336261 387711907 /nfs/dbraw/zinc/71/19/07/387711907.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127336261 387711911 /nfs/dbraw/zinc/71/19/11/387711911.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127336261 387711914 /nfs/dbraw/zinc/71/19/14/387711914.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 2 1 230.352 0.408 20 0 BCADMP C[N@H+](CCCO)C1CC[NH+](CCCO)CC1 ZINC000115547257 387724555 /nfs/dbraw/zinc/72/45/55/387724555.db2.gz UNAQUMWYNFJVRL-UHFFFAOYSA-N 2 1 230.352 0.147 20 0 BCADMP C[N@@H+](CCCO)C1CC[NH+](CCCO)CC1 ZINC000115547257 387724561 /nfs/dbraw/zinc/72/45/61/387724561.db2.gz UNAQUMWYNFJVRL-UHFFFAOYSA-N 2 1 230.352 0.147 20 0 BCADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000356845842 387729710 /nfs/dbraw/zinc/72/97/10/387729710.db2.gz JAQPXBKHQBURAP-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000356845842 387729717 /nfs/dbraw/zinc/72/97/17/387729717.db2.gz JAQPXBKHQBURAP-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000356845842 387729723 /nfs/dbraw/zinc/72/97/23/387729723.db2.gz JAQPXBKHQBURAP-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000356845842 387729726 /nfs/dbraw/zinc/72/97/26/387729726.db2.gz JAQPXBKHQBURAP-IJLUTSLNSA-N 2 1 239.363 0.632 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367617554 387734486 /nfs/dbraw/zinc/73/44/86/387734486.db2.gz QPEUVYMFDYCPGN-LOWDOPEQSA-N 2 1 242.363 0.456 20 0 BCADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1COC1 ZINC000527816626 387735160 /nfs/dbraw/zinc/73/51/60/387735160.db2.gz GLHBFEUNZQSWAL-UHFFFAOYSA-N 2 1 221.304 0.884 20 0 BCADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422847924 387735749 /nfs/dbraw/zinc/73/57/49/387735749.db2.gz AEOZRPTVKQNIIK-XQHKEYJVSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000367673842 387741818 /nfs/dbraw/zinc/74/18/18/387741818.db2.gz YIWPXFWPIZABPJ-JQWIXIFHSA-N 2 1 248.330 0.149 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892906 387764314 /nfs/dbraw/zinc/76/43/14/387764314.db2.gz ZSDWLCWJDGTOBS-UPJWGTAASA-N 2 1 241.379 0.437 20 0 BCADMP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129284519 387766375 /nfs/dbraw/zinc/76/63/75/387766375.db2.gz YTBJIQMEKJBCIB-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP COCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422904540 387767502 /nfs/dbraw/zinc/76/75/02/387767502.db2.gz GXMACHKFKSENJC-VXGBXAGGSA-N 2 1 229.368 0.152 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000422908556 387769273 /nfs/dbraw/zinc/76/92/73/387769273.db2.gz YQJDENBXVDVLJQ-IJLUTSLNSA-N 2 1 211.353 0.668 20 0 BCADMP COCCOC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422927710 387778958 /nfs/dbraw/zinc/77/89/58/387778958.db2.gz ZWNUTWATGFDFEH-IJLUTSLNSA-N 2 1 230.352 0.768 20 0 BCADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422927711 387779368 /nfs/dbraw/zinc/77/93/68/387779368.db2.gz ZWNUTWATGFDFEH-QJPTWQEYSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309442171 387779961 /nfs/dbraw/zinc/77/99/61/387779961.db2.gz OHLUASQZHHDBDK-SCVCMEIPSA-N 2 1 230.352 0.048 20 0 BCADMP C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309442171 387779964 /nfs/dbraw/zinc/77/99/64/387779964.db2.gz OHLUASQZHHDBDK-SCVCMEIPSA-N 2 1 230.352 0.048 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422901819 387787324 /nfs/dbraw/zinc/78/73/24/387787324.db2.gz CLDNGECAJUVUDL-WDEREUQCSA-N 2 1 213.369 0.914 20 0 BCADMP CSCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422988367 387798295 /nfs/dbraw/zinc/79/82/95/387798295.db2.gz IUYQUOPLVVOOCC-MXWKQRLJSA-N 2 1 232.393 0.831 20 0 BCADMP C[C@@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422989670 387798305 /nfs/dbraw/zinc/79/83/05/387798305.db2.gz BAOXZNSLGUJVMU-OUAUKWLOSA-N 2 1 230.377 0.585 20 0 BCADMP CSCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422988366 387798977 /nfs/dbraw/zinc/79/89/77/387798977.db2.gz IUYQUOPLVVOOCC-HBNTYKKESA-N 2 1 232.393 0.831 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309488105 387804698 /nfs/dbraw/zinc/80/46/98/387804698.db2.gz XOOKAYUGKGQICU-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP COCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309488105 387804704 /nfs/dbraw/zinc/80/47/04/387804704.db2.gz XOOKAYUGKGQICU-PWSUYJOCSA-N 2 1 230.352 0.456 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424144278 387760208 /nfs/dbraw/zinc/76/02/08/387760208.db2.gz KYYKAPCSAGVKNZ-YFKTTZPYSA-N 2 1 239.363 0.665 20 0 BCADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422973684 387822670 /nfs/dbraw/zinc/82/26/70/387822670.db2.gz CGXXISWLLRKCGK-ZRUFSTJUSA-N 2 1 232.393 0.829 20 0 BCADMP CC[C@@H]([NH2+][C@@H](CCO)COC)[C@@H]1CCC[NH2+]1 ZINC000422973539 387824121 /nfs/dbraw/zinc/82/41/21/387824121.db2.gz CAXAOQHRJFLDEG-TUAOUCFPSA-N 2 1 230.352 0.504 20 0 BCADMP COCC[NH+]1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000528020131 387826899 /nfs/dbraw/zinc/82/68/99/387826899.db2.gz VLFCHUNXMWIXRG-UHFFFAOYSA-N 2 1 242.363 0.458 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH2+]C)C[C@H]1C ZINC000418324175 387831504 /nfs/dbraw/zinc/83/15/04/387831504.db2.gz HGXBTCBCRMQIKL-GHMZBOCLSA-N 2 1 242.367 0.330 20 0 BCADMP C[C@H]([NH2+]C[C@]1(O)CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423009383 387832387 /nfs/dbraw/zinc/83/23/87/387832387.db2.gz VLDNOPBFRUPJST-SDDRHHMPSA-N 2 1 244.404 0.975 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000442759051 387835074 /nfs/dbraw/zinc/83/50/74/387835074.db2.gz JYAGQVVIDMCQKG-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC1CC1 ZINC000442759051 387835077 /nfs/dbraw/zinc/83/50/77/387835077.db2.gz JYAGQVVIDMCQKG-ZYHUDNBSSA-N 2 1 239.363 0.524 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424159412 387839897 /nfs/dbraw/zinc/83/98/97/387839897.db2.gz SPMIGJFCQIFPLJ-UTUOFQBUSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000442802954 387843947 /nfs/dbraw/zinc/84/39/47/387843947.db2.gz UMNGUQYJOPKNLX-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000442802954 387843953 /nfs/dbraw/zinc/84/39/53/387843953.db2.gz UMNGUQYJOPKNLX-NSHDSACASA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033442 387848273 /nfs/dbraw/zinc/84/82/73/387848273.db2.gz GRQNZEXYXHDOEF-JHJVBQTASA-N 2 1 241.379 0.173 20 0 BCADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033444 387849626 /nfs/dbraw/zinc/84/96/26/387849626.db2.gz GRQNZEXYXHDOEF-UPJWGTAASA-N 2 1 241.379 0.173 20 0 BCADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423036935 387850627 /nfs/dbraw/zinc/85/06/27/387850627.db2.gz LZCRFEWRGHMBJQ-YVECIDJPSA-N 2 1 242.363 0.911 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423036447 387851807 /nfs/dbraw/zinc/85/18/07/387851807.db2.gz UASDBGHJVKSRGG-GHMZBOCLSA-N 2 1 212.337 0.737 20 0 BCADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH2+]C2)CC1 ZINC000423039761 387853169 /nfs/dbraw/zinc/85/31/69/387853169.db2.gz ROENLICDDOLDDV-GFCCVEGCSA-N 2 1 209.337 0.590 20 0 BCADMP C[C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000643537564 387874174 /nfs/dbraw/zinc/87/41/74/387874174.db2.gz LTQMSUYWXIRTEM-BJDJZHNGSA-N 2 1 241.354 0.901 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](COC)OC)[C@@H]1CCC[NH2+]1 ZINC000423042175 387855375 /nfs/dbraw/zinc/85/53/75/387855375.db2.gz KJSCULXXTKJLFG-UTUOFQBUSA-N 2 1 230.352 0.768 20 0 BCADMP CCOC(CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)OCC ZINC000193637911 387858302 /nfs/dbraw/zinc/85/83/02/387858302.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 2 1 242.363 0.879 20 0 BCADMP CCOC(C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OCC ZINC000193637911 387858309 /nfs/dbraw/zinc/85/83/09/387858309.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 2 1 242.363 0.879 20 0 BCADMP CCOC(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OCC ZINC000193637911 387858312 /nfs/dbraw/zinc/85/83/12/387858312.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 2 1 242.363 0.879 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000423058838 387864196 /nfs/dbraw/zinc/86/41/96/387864196.db2.gz DJEITFCKYPJJHU-GHMZBOCLSA-N 2 1 212.337 0.737 20 0 BCADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)O1 ZINC000313335799 387870731 /nfs/dbraw/zinc/87/07/31/387870731.db2.gz BSVHGJTVEPWUPX-GRYCIOLGSA-N 2 1 228.336 0.604 20 0 BCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154236 387816407 /nfs/dbraw/zinc/81/64/07/387816407.db2.gz LGWJFRZEQNOSHT-QCNOEVLYSA-N 2 1 239.363 0.570 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392920130 387817015 /nfs/dbraw/zinc/81/70/15/387817015.db2.gz JGEMSQDTPUVQTA-QWRGUYRKSA-N 2 1 225.336 0.348 20 0 BCADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000442660101 387817285 /nfs/dbraw/zinc/81/72/85/387817285.db2.gz LYCAJYHXLQJNHZ-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000442660101 387817289 /nfs/dbraw/zinc/81/72/89/387817289.db2.gz LYCAJYHXLQJNHZ-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422969409 387818661 /nfs/dbraw/zinc/81/86/61/387818661.db2.gz UKMYKWNDFMIYTO-VHSXEESVSA-N 2 1 227.352 0.346 20 0 BCADMP CC(C)COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422970001 387818858 /nfs/dbraw/zinc/81/88/58/387818858.db2.gz DWMKCESLFHXIGC-AGIUHOORSA-N 2 1 244.379 0.750 20 0 BCADMP C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)[C@H]1CCC[NH2+]1 ZINC000422969563 387819110 /nfs/dbraw/zinc/81/91/10/387819110.db2.gz DDABCXAEAXPYEO-RAIGVLPGSA-N 2 1 242.363 0.504 20 0 BCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181701 387896869 /nfs/dbraw/zinc/89/68/69/387896869.db2.gz RYKFVIFYEGHEGG-USZNOCQGSA-N 2 1 237.347 0.276 20 0 BCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537237 387874970 /nfs/dbraw/zinc/87/49/70/387874970.db2.gz BOHUJULCLFQLRP-MPPDQPJWSA-N 2 1 241.354 0.759 20 0 BCADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423082857 387878356 /nfs/dbraw/zinc/87/83/56/387878356.db2.gz DWJUKTJVRMVLSP-NNYUYHANSA-N 2 1 240.347 0.916 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157863992 387878894 /nfs/dbraw/zinc/87/88/94/387878894.db2.gz BZLFGZOCQVVPIX-VHSXEESVSA-N 2 1 213.325 0.195 20 0 BCADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423082859 387878963 /nfs/dbraw/zinc/87/89/63/387878963.db2.gz DWJUKTJVRMVLSP-YFKTTZPYSA-N 2 1 240.347 0.916 20 0 BCADMP OCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157939473 387885859 /nfs/dbraw/zinc/88/58/59/387885859.db2.gz RHWNFUPQQNRWHW-VXGBXAGGSA-N 2 1 212.337 0.975 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000645755655 387886056 /nfs/dbraw/zinc/88/60/56/387886056.db2.gz TUZLMOPVQILJGA-GXSJLCMTSA-N 2 1 237.347 0.337 20 0 BCADMP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000645755657 387886485 /nfs/dbraw/zinc/88/64/85/387886485.db2.gz TUZLMOPVQILJGA-MWLCHTKSSA-N 2 1 237.347 0.337 20 0 BCADMP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000645755658 387886575 /nfs/dbraw/zinc/88/65/75/387886575.db2.gz TUZLMOPVQILJGA-ONGXEEELSA-N 2 1 237.347 0.337 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCCO1 ZINC000313358095 387888717 /nfs/dbraw/zinc/88/87/17/387888717.db2.gz SRKMHERXJXRBKT-NWDGAFQWSA-N 2 1 228.336 0.605 20 0 BCADMP COCC[C@@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423141548 387917720 /nfs/dbraw/zinc/91/77/20/387917720.db2.gz QOHOTBFTTQMEDH-WOPDTQHZSA-N 2 1 230.352 0.768 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCCCO)CC[N@H+]1C ZINC000158151723 387934769 /nfs/dbraw/zinc/93/47/69/387934769.db2.gz XRPTUNGOCMCTMM-WDEREUQCSA-N 2 1 200.326 0.831 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423146114 387923127 /nfs/dbraw/zinc/92/31/27/387923127.db2.gz OBMYFSVZIOASGT-IJLUTSLNSA-N 2 1 230.352 0.362 20 0 BCADMP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000514673898 387927102 /nfs/dbraw/zinc/92/71/02/387927102.db2.gz UEMLVWPLBUPZGO-NSHDSACASA-N 2 1 237.303 0.031 20 0 BCADMP COC[C@](C)(O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148846 387927066 /nfs/dbraw/zinc/92/70/66/387927066.db2.gz WRHMMDDWGQXUBF-YNEHKIRRSA-N 2 1 244.379 0.894 20 0 BCADMP COC[C@@](C)(O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148839 387927810 /nfs/dbraw/zinc/92/78/10/387927810.db2.gz WRHMMDDWGQXUBF-AGIUHOORSA-N 2 1 244.379 0.894 20 0 BCADMP C[C@H](CCCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423164261 387945636 /nfs/dbraw/zinc/94/56/36/387945636.db2.gz WLVXZBUSDHLFSR-GRYCIOLGSA-N 2 1 214.353 0.983 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423165124 387947403 /nfs/dbraw/zinc/94/74/03/387947403.db2.gz XWXNQZZKXSKQFI-MNOVXSKESA-N 2 1 214.353 0.983 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)CO ZINC000423165126 387948665 /nfs/dbraw/zinc/94/86/65/387948665.db2.gz XWXNQZZKXSKQFI-WDEREUQCSA-N 2 1 214.353 0.983 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000565160341 387949266 /nfs/dbraw/zinc/94/92/66/387949266.db2.gz BWPYTVCFUIYBIG-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000565160341 387949269 /nfs/dbraw/zinc/94/92/69/387949269.db2.gz BWPYTVCFUIYBIG-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000565160341 387949271 /nfs/dbraw/zinc/94/92/71/387949271.db2.gz BWPYTVCFUIYBIG-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000565160341 387949274 /nfs/dbraw/zinc/94/92/74/387949274.db2.gz BWPYTVCFUIYBIG-OLZOCXBDSA-N 2 1 244.379 0.800 20 0 BCADMP C[C@H]([NH2+]CC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423178069 387964024 /nfs/dbraw/zinc/96/40/24/387964024.db2.gz FQGOELUEFQAOGS-JTQLQIEISA-N 2 1 231.303 0.877 20 0 BCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453037069 387966794 /nfs/dbraw/zinc/96/67/94/387966794.db2.gz OUBMZLYFYBHAOK-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000453037069 387966798 /nfs/dbraw/zinc/96/67/98/387966798.db2.gz OUBMZLYFYBHAOK-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC000453037069 387966803 /nfs/dbraw/zinc/96/68/03/387966803.db2.gz OUBMZLYFYBHAOK-SDDRHHMPSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453037062 387966978 /nfs/dbraw/zinc/96/69/78/387966978.db2.gz OUBMZLYFYBHAOK-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000453037062 387966981 /nfs/dbraw/zinc/96/69/81/387966981.db2.gz OUBMZLYFYBHAOK-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000453037062 387966982 /nfs/dbraw/zinc/96/69/82/387966982.db2.gz OUBMZLYFYBHAOK-QJPTWQEYSA-N 2 1 237.347 0.243 20 0 BCADMP COCC[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196949 387981693 /nfs/dbraw/zinc/98/16/93/387981693.db2.gz XAAPJVBOPYMSQY-NWDGAFQWSA-N 2 1 227.352 0.049 20 0 BCADMP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC[NH3+] ZINC000423191879 387975549 /nfs/dbraw/zinc/97/55/49/387975549.db2.gz TVVPNBGBRMIBCB-LBPRGKRZSA-N 2 1 249.358 0.672 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423201269 387988233 /nfs/dbraw/zinc/98/82/33/387988233.db2.gz OGSCVBBTMPMLRY-WDEREUQCSA-N 2 1 211.353 0.811 20 0 BCADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000424364192 387989650 /nfs/dbraw/zinc/98/96/50/387989650.db2.gz DBFFKPOVKTZIID-GHMZBOCLSA-N 3 1 247.333 0.820 20 0 BCADMP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423200567 387985728 /nfs/dbraw/zinc/98/57/28/387985728.db2.gz MPOKJXITYDNHQT-IJLUTSLNSA-N 2 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423200567 387985734 /nfs/dbraw/zinc/98/57/34/387985734.db2.gz MPOKJXITYDNHQT-IJLUTSLNSA-N 3 1 213.369 0.914 20 0 BCADMP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423200567 387985739 /nfs/dbraw/zinc/98/57/39/387985739.db2.gz MPOKJXITYDNHQT-IJLUTSLNSA-N 3 1 213.369 0.914 20 0 BCADMP CC[C@@H]([NH2+]CC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423223936 388006441 /nfs/dbraw/zinc/00/64/41/388006441.db2.gz IACGCOYHCUNRHD-SNVBAGLBSA-N 2 1 228.336 0.917 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645889489 388006664 /nfs/dbraw/zinc/00/66/64/388006664.db2.gz LLHKRUSUVVLDEE-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP COCC[N@H+]1CC[C@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423257922 388037917 /nfs/dbraw/zinc/03/79/17/388037917.db2.gz ASNHBGLNSFKRTQ-QWHCGFSZSA-N 2 1 243.395 0.670 20 0 BCADMP COC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000446821669 388039867 /nfs/dbraw/zinc/03/98/67/388039867.db2.gz ROWLRJVYNZUUEQ-OLZOCXBDSA-N 2 1 244.379 0.704 20 0 BCADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000246279256 388027362 /nfs/dbraw/zinc/02/73/62/388027362.db2.gz MLEGKSPFFVTAAA-CMPLNLGQSA-N 2 1 243.326 0.289 20 0 BCADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423275605 388056214 /nfs/dbraw/zinc/05/62/14/388056214.db2.gz LWQQIEXHVVTCPH-XWIASGKRSA-N 2 1 223.364 0.939 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CC2)C[N@H+]1C1CC1 ZINC000423275603 388056547 /nfs/dbraw/zinc/05/65/47/388056547.db2.gz LWQQIEXHVVTCPH-IRUJWGPZSA-N 2 1 223.364 0.939 20 0 BCADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000083834589 388063071 /nfs/dbraw/zinc/06/30/71/388063071.db2.gz LNMUOQDCBUWIJD-UWVGGRQHSA-N 2 1 223.320 0.221 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000447435991 388072425 /nfs/dbraw/zinc/07/24/25/388072425.db2.gz SPHCUXKLWDOOBJ-LLVKDONJSA-N 2 1 245.367 0.197 20 0 BCADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000423287961 388073246 /nfs/dbraw/zinc/07/32/46/388073246.db2.gz PQTKALWLFOISSO-NXEZZACHSA-N 2 1 211.353 0.939 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])CN1C1CC1 ZINC000423287961 388073247 /nfs/dbraw/zinc/07/32/47/388073247.db2.gz PQTKALWLFOISSO-NXEZZACHSA-N 2 1 211.353 0.939 20 0 BCADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447518315 388074373 /nfs/dbraw/zinc/07/43/73/388074373.db2.gz NOPSEHKJKZRKSY-MNOVXSKESA-N 2 1 227.352 0.585 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453406833 388075840 /nfs/dbraw/zinc/07/58/40/388075840.db2.gz UMEQSGPPIWIFRL-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453406833 388075843 /nfs/dbraw/zinc/07/58/43/388075843.db2.gz UMEQSGPPIWIFRL-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009595 388082653 /nfs/dbraw/zinc/08/26/53/388082653.db2.gz FMEZWDHLOLJFNI-QWRGUYRKSA-N 2 1 225.336 0.278 20 0 BCADMP CCC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000336658997 388083587 /nfs/dbraw/zinc/08/35/87/388083587.db2.gz BIYWOYBGZQUMTF-HTAVTVPLSA-N 2 1 212.337 0.831 20 0 BCADMP CCC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000336658997 388083589 /nfs/dbraw/zinc/08/35/89/388083589.db2.gz BIYWOYBGZQUMTF-HTAVTVPLSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447914268 388102854 /nfs/dbraw/zinc/10/28/54/388102854.db2.gz OSFHEUMKXGXGKL-JHJVBQTASA-N 2 1 242.363 0.600 20 0 BCADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCOC1 ZINC000261527788 135152620 /nfs/dbraw/zinc/15/26/20/135152620.db2.gz HCZKLWDXWFSTNV-QWRGUYRKSA-N 2 1 200.326 0.986 20 0 BCADMP COCC[N@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271321 388049519 /nfs/dbraw/zinc/04/95/19/388049519.db2.gz IXZQUKPQMSZSPU-RYUDHWBXSA-N 2 1 229.368 0.280 20 0 BCADMP COCCN1CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000423271321 388049524 /nfs/dbraw/zinc/04/95/24/388049524.db2.gz IXZQUKPQMSZSPU-RYUDHWBXSA-N 2 1 229.368 0.280 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000646185814 388161341 /nfs/dbraw/zinc/16/13/41/388161341.db2.gz KJLRIYRAYGYGDL-HBNTYKKESA-N 2 1 242.367 0.506 20 0 BCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343055 388176731 /nfs/dbraw/zinc/17/67/31/388176731.db2.gz HKXINWGOJNBCRZ-NSHDSACASA-N 2 1 239.363 0.858 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH3+])CCC1)C(C)C ZINC000449342627 388176848 /nfs/dbraw/zinc/17/68/48/388176848.db2.gz CUFOIIJBNUJGES-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000488503324 388182743 /nfs/dbraw/zinc/18/27/43/388182743.db2.gz UKIRAIUTIDFJOQ-DCAQKATOSA-N 2 1 227.352 0.250 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000449365270 388183048 /nfs/dbraw/zinc/18/30/48/388183048.db2.gz SOEZIAGSJBNWFM-MWLCHTKSSA-N 2 1 248.330 0.942 20 0 BCADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000454635267 388126324 /nfs/dbraw/zinc/12/63/24/388126324.db2.gz DQMYPLJUOSFEKM-JTQLQIEISA-N 2 1 242.367 0.330 20 0 BCADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000449078813 388139701 /nfs/dbraw/zinc/13/97/01/388139701.db2.gz YTYOOZCJEMZDLV-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000449101484 388143185 /nfs/dbraw/zinc/14/31/85/388143185.db2.gz FKQZSAOAOUVALM-GHMZBOCLSA-N 2 1 227.352 0.585 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680753 388251136 /nfs/dbraw/zinc/25/11/36/388251136.db2.gz KTJCKIATTDCVJE-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449397633 388194042 /nfs/dbraw/zinc/19/40/42/388194042.db2.gz RARVFXVSJSTRGV-DTWKUNHWSA-N 2 1 249.305 0.604 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570417 388236303 /nfs/dbraw/zinc/23/63/03/388236303.db2.gz JKNLJHFZFNOXAN-RNFDROQYSA-N 2 1 237.347 0.193 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449577696 388236653 /nfs/dbraw/zinc/23/66/53/388236653.db2.gz XNWPXJDDNKLGAS-PWSUYJOCSA-N 2 1 245.342 0.377 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640441 388247951 /nfs/dbraw/zinc/24/79/51/388247951.db2.gz BFEPTCZBFJZUFS-VXGBXAGGSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)C[C@H]([NH3+])CNCC(F)(F)C[NH3+] ZINC000414926977 256629407 /nfs/dbraw/zinc/62/94/07/256629407.db2.gz KMEXOFUGXUAAOG-QMMMGPOBSA-N 2 1 209.284 0.543 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000261530037 135156409 /nfs/dbraw/zinc/15/64/09/135156409.db2.gz XIKJDQCBXOSBGM-ZJUUUORDSA-N 2 1 216.350 0.399 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCSC2)CCO1 ZINC000261530037 135156410 /nfs/dbraw/zinc/15/64/10/135156410.db2.gz XIKJDQCBXOSBGM-ZJUUUORDSA-N 2 1 216.350 0.399 20 0 BCADMP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000491869760 388325529 /nfs/dbraw/zinc/32/55/29/388325529.db2.gz NLIDYCWPODPNJP-SMYYYNMVSA-N 2 1 239.363 0.562 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910861 388327403 /nfs/dbraw/zinc/32/74/03/388327403.db2.gz ZGMFSYQGNWFOGO-WAFBPQNNSA-N 2 1 239.363 0.705 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336365 388262214 /nfs/dbraw/zinc/26/22/14/388262214.db2.gz QAXLCNYODHNZRA-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953097 388268793 /nfs/dbraw/zinc/26/87/93/388268793.db2.gz ANFHBZVGXMIKGG-NHCYSSNCSA-N 2 1 239.363 0.570 20 0 BCADMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953258 388269041 /nfs/dbraw/zinc/26/90/41/388269041.db2.gz LTUOUDKUWWOSLC-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018119 388344690 /nfs/dbraw/zinc/34/46/90/388344690.db2.gz UZTIIHPDGZEECP-VXGBXAGGSA-N 2 1 236.363 0.879 20 0 BCADMP CN(C)c1nc(N2CCC[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000300074914 388347958 /nfs/dbraw/zinc/34/79/58/388347958.db2.gz GLPNNEIDLKBPJP-WDEREUQCSA-N 2 1 247.346 0.731 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300366774 388362682 /nfs/dbraw/zinc/36/26/82/388362682.db2.gz GVSGZDGDCZISDY-GRYCIOLGSA-N 2 1 211.353 0.940 20 0 BCADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300366774 388362685 /nfs/dbraw/zinc/36/26/85/388362685.db2.gz GVSGZDGDCZISDY-GRYCIOLGSA-N 2 1 211.353 0.940 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@@H]1CCC[N@@H+]1C ZINC000353169364 135167270 /nfs/dbraw/zinc/16/72/70/135167270.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[NH+](CCC(N)=O)CC[C@@H]1CCC[N@H+]1C ZINC000353169364 135167272 /nfs/dbraw/zinc/16/72/72/135167272.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646523205 388375231 /nfs/dbraw/zinc/37/52/31/388375231.db2.gz NQYGGEDGCIHUKL-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000236764644 388382612 /nfs/dbraw/zinc/38/26/12/388382612.db2.gz LXDIVPNLXRVOGA-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP CON1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000572879590 388382684 /nfs/dbraw/zinc/38/26/84/388382684.db2.gz OFUJCCIBHZWPOI-UHFFFAOYSA-N 2 1 241.379 0.944 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000236712253 388382728 /nfs/dbraw/zinc/38/27/28/388382728.db2.gz PMBHPYKUUPICJI-JTQLQIEISA-N 2 1 215.341 0.572 20 0 BCADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665280 388385379 /nfs/dbraw/zinc/38/53/79/388385379.db2.gz AMSVQVULNZWMNH-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665280 388385382 /nfs/dbraw/zinc/38/53/82/388385382.db2.gz AMSVQVULNZWMNH-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665278 388385653 /nfs/dbraw/zinc/38/56/53/388385653.db2.gz AMSVQVULNZWMNH-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665278 388385655 /nfs/dbraw/zinc/38/56/55/388385655.db2.gz AMSVQVULNZWMNH-NEPJUHHUSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H](CCNC(=O)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000237559760 388397006 /nfs/dbraw/zinc/39/70/06/388397006.db2.gz WKVMJSSJJQAEOG-LBPRGKRZSA-N 2 1 249.358 0.972 20 0 BCADMP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000649223570 388461819 /nfs/dbraw/zinc/46/18/19/388461819.db2.gz JJGFUVBYAFWXDR-SNVBAGLBSA-N 2 1 248.330 0.499 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000649223570 388461822 /nfs/dbraw/zinc/46/18/22/388461822.db2.gz JJGFUVBYAFWXDR-SNVBAGLBSA-N 2 1 248.330 0.499 20 0 BCADMP CC[N@@H+](C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261539864 135178599 /nfs/dbraw/zinc/17/85/99/135178599.db2.gz DGKIJNXYDMNHJN-LLVKDONJSA-N 2 1 213.369 0.997 20 0 BCADMP CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352893496 388539710 /nfs/dbraw/zinc/53/97/10/388539710.db2.gz OWPVQXAOGTUAMU-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352893496 388539712 /nfs/dbraw/zinc/53/97/12/388539712.db2.gz OWPVQXAOGTUAMU-CHWSQXEVSA-N 2 1 244.379 0.438 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000646762228 388485846 /nfs/dbraw/zinc/48/58/46/388485846.db2.gz PUKWZXWSQKLEMN-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784794 388486401 /nfs/dbraw/zinc/48/64/01/388486401.db2.gz WPBXJPZGCJOEBT-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784794 388486403 /nfs/dbraw/zinc/48/64/03/388486403.db2.gz WPBXJPZGCJOEBT-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784794 388486405 /nfs/dbraw/zinc/48/64/05/388486405.db2.gz WPBXJPZGCJOEBT-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](O)CC1)C1CC1 ZINC000339784794 388486406 /nfs/dbraw/zinc/48/64/06/388486406.db2.gz WPBXJPZGCJOEBT-STQMWFEESA-N 2 1 242.363 0.288 20 0 BCADMP Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000547824783 388489448 /nfs/dbraw/zinc/48/94/48/388489448.db2.gz NSUXESSUSWDHAH-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000547824783 388489450 /nfs/dbraw/zinc/48/94/50/388489450.db2.gz NSUXESSUSWDHAH-LBPRGKRZSA-N 2 1 235.331 0.945 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH+](C)C ZINC000648910771 388489565 /nfs/dbraw/zinc/48/95/65/388489565.db2.gz WSCNVTQBFSEWFY-IJLUTSLNSA-N 2 1 241.379 0.641 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000340357313 388489841 /nfs/dbraw/zinc/48/98/41/388489841.db2.gz DDNSAKBUDQZHQG-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP COC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000340357313 388489843 /nfs/dbraw/zinc/48/98/43/388489843.db2.gz DDNSAKBUDQZHQG-CMPLNLGQSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH+](C)C ZINC000648910772 388489826 /nfs/dbraw/zinc/48/98/26/388489826.db2.gz WSCNVTQBFSEWFY-QJPTWQEYSA-N 2 1 241.379 0.641 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000517030432 256811878 /nfs/dbraw/zinc/81/18/78/256811878.db2.gz OCXKTKYMYXVBKQ-QJPTWQEYSA-N 3 1 211.353 0.846 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCCO)C1 ZINC000516876458 388522585 /nfs/dbraw/zinc/52/25/85/388522585.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCCO)C1 ZINC000516876458 388522589 /nfs/dbraw/zinc/52/25/89/388522589.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000516876458 388522593 /nfs/dbraw/zinc/52/25/93/388522593.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000516876458 388522596 /nfs/dbraw/zinc/52/25/96/388522596.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 2 1 244.379 0.393 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@H](CO)C1 ZINC000347745880 388523886 /nfs/dbraw/zinc/52/38/86/388523886.db2.gz IXXVMYCXSLTJFA-JTQLQIEISA-N 2 1 209.293 0.277 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649310586 388596288 /nfs/dbraw/zinc/59/62/88/388596288.db2.gz XBGPDOSISNNTBI-WDEREUQCSA-N 2 1 239.363 0.442 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C ZINC000220124064 388601187 /nfs/dbraw/zinc/60/11/87/388601187.db2.gz ZRIDJHVOWFNHQS-SNVBAGLBSA-N 2 1 215.341 0.442 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH+](C)C ZINC000517521060 388552533 /nfs/dbraw/zinc/55/25/33/388552533.db2.gz DOBOUKCPQKETCK-UHFFFAOYSA-N 2 1 238.335 0.602 20 0 BCADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602594 388565627 /nfs/dbraw/zinc/56/56/27/388565627.db2.gz UYKFYRWOCVEBEN-NNYUYHANSA-N 2 1 212.337 0.830 20 0 BCADMP COC(=O)[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368312483 388568641 /nfs/dbraw/zinc/56/86/41/388568641.db2.gz MXBJRGRSMFBBRP-AAEUAGOBSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368312483 388568642 /nfs/dbraw/zinc/56/86/42/388568642.db2.gz MXBJRGRSMFBBRP-AAEUAGOBSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)[C@@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368312483 388568643 /nfs/dbraw/zinc/56/86/43/388568643.db2.gz MXBJRGRSMFBBRP-AAEUAGOBSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368611732 388569160 /nfs/dbraw/zinc/56/91/60/388569160.db2.gz DSROZCGHSRTCBS-KXNHARMFSA-N 2 1 212.337 0.830 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000081571304 388584069 /nfs/dbraw/zinc/58/40/69/388584069.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 1 227.352 0.524 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)CC[N@@H+]1C ZINC000248201744 388675398 /nfs/dbraw/zinc/67/53/98/388675398.db2.gz YXYPRBJFDSXKAH-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)CC[N@H+]1C ZINC000248201744 388675401 /nfs/dbraw/zinc/67/54/01/388675401.db2.gz YXYPRBJFDSXKAH-UTUOFQBUSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@]1(O)CC[NH+](CCC[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000248370672 388676049 /nfs/dbraw/zinc/67/60/49/388676049.db2.gz XUFGBJVTAGCRJJ-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000125786860 388676705 /nfs/dbraw/zinc/67/67/05/388676705.db2.gz PFBHHZUHYZSKLO-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000125786860 388676707 /nfs/dbraw/zinc/67/67/07/388676707.db2.gz PFBHHZUHYZSKLO-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP CO[C@@H]1C[N@@H+](Cc2cnc[nH]2)[C@](C)(CO)C1 ZINC000630076254 388619333 /nfs/dbraw/zinc/61/93/33/388619333.db2.gz IVHOMPSOKPSVMA-QWRGUYRKSA-N 2 1 225.292 0.381 20 0 BCADMP CO[C@@H]1C[N@H+](Cc2c[nH]cn2)[C@](C)(CO)C1 ZINC000630076254 388619335 /nfs/dbraw/zinc/61/93/35/388619335.db2.gz IVHOMPSOKPSVMA-QWRGUYRKSA-N 2 1 225.292 0.381 20 0 BCADMP C[C@@H]1C[N@H+](CCN2CCC[C@@H]([NH3+])C2)CCO1 ZINC000521624627 388620438 /nfs/dbraw/zinc/62/04/38/388620438.db2.gz UYSNMNJYOILBID-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]([NH3+])C2)CCO1 ZINC000521624627 388620441 /nfs/dbraw/zinc/62/04/41/388620441.db2.gz UYSNMNJYOILBID-VXGBXAGGSA-N 2 1 227.352 0.130 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000521627180 388620530 /nfs/dbraw/zinc/62/05/30/388620530.db2.gz ZTZVYGHSHYAWIX-NSHDSACASA-N 3 1 213.369 0.949 20 0 BCADMP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCC[NH2+]1 ZINC000530182677 388624202 /nfs/dbraw/zinc/62/42/02/388624202.db2.gz YPGHXBGKMGGKTJ-JHJVBQTASA-N 2 1 239.363 0.191 20 0 BCADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCC[NH2+]1 ZINC000530182677 388624203 /nfs/dbraw/zinc/62/42/03/388624203.db2.gz YPGHXBGKMGGKTJ-JHJVBQTASA-N 2 1 239.363 0.191 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530223145 388633954 /nfs/dbraw/zinc/63/39/54/388633954.db2.gz OVCHITABKMLWBW-FVCCEPFGSA-N 2 1 241.379 0.293 20 0 BCADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000328470464 388643997 /nfs/dbraw/zinc/64/39/97/388643997.db2.gz ZLLYANTYAMAKSZ-NEPJUHHUSA-N 2 1 242.363 0.599 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000328470464 388644000 /nfs/dbraw/zinc/64/40/00/388644000.db2.gz ZLLYANTYAMAKSZ-NEPJUHHUSA-N 2 1 242.363 0.599 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[NH+](C)C ZINC000247036862 388657783 /nfs/dbraw/zinc/65/77/83/388657783.db2.gz SRAKONJUVDDNTO-GHMZBOCLSA-N 2 1 227.352 0.347 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC(n2ccnc2)C1 ZINC000522258069 388737478 /nfs/dbraw/zinc/73/74/78/388737478.db2.gz YVSRXSJZHIZYQR-UHFFFAOYSA-N 2 1 236.319 0.607 20 0 BCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883096 388739475 /nfs/dbraw/zinc/73/94/75/388739475.db2.gz OYPDKUIOTVLEJI-NSHDSACASA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000248865749 388696228 /nfs/dbraw/zinc/69/62/28/388696228.db2.gz AXHHHVPRXONZHJ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000248865749 388696231 /nfs/dbraw/zinc/69/62/31/388696231.db2.gz AXHHHVPRXONZHJ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000248865749 388696233 /nfs/dbraw/zinc/69/62/33/388696233.db2.gz AXHHHVPRXONZHJ-RWMBFGLXSA-N 2 1 244.379 0.534 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000522146140 388704947 /nfs/dbraw/zinc/70/49/47/388704947.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000522146140 388704950 /nfs/dbraw/zinc/70/49/50/388704950.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000522146140 388704951 /nfs/dbraw/zinc/70/49/51/388704951.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000522146678 388705500 /nfs/dbraw/zinc/70/55/00/388705500.db2.gz SERVIIDAOHIRNQ-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249115040 388709318 /nfs/dbraw/zinc/70/93/18/388709318.db2.gz NTRFOANFQOITMM-SRVKXCTJSA-N 2 1 212.337 0.974 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249441369 388721403 /nfs/dbraw/zinc/72/14/03/388721403.db2.gz KCVJEVZXPYOACM-WDEREUQCSA-N 2 1 232.393 0.594 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000249490910 388723665 /nfs/dbraw/zinc/72/36/65/388723665.db2.gz YILULRZDGGEUDS-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000249490910 388723666 /nfs/dbraw/zinc/72/36/66/388723666.db2.gz YILULRZDGGEUDS-VXGBXAGGSA-N 2 1 246.420 0.984 20 0 BCADMP C[NH+](C)CCOCC[NH2+]Cc1cscn1 ZINC000230005151 388809425 /nfs/dbraw/zinc/80/94/25/388809425.db2.gz QBVWFZZUTGBHGG-UHFFFAOYSA-N 2 1 229.349 0.811 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713979 388774982 /nfs/dbraw/zinc/77/49/82/388774982.db2.gz QSBFKHVZQFYNGZ-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713979 388774986 /nfs/dbraw/zinc/77/49/86/388774986.db2.gz QSBFKHVZQFYNGZ-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000129372585 388835678 /nfs/dbraw/zinc/83/56/78/388835678.db2.gz OGAXMHBRBTWGMZ-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP C[C@H]1C[C@@H]([NH2+]CCn2ccnc2)CC[N@H+]1C ZINC000129662334 388863151 /nfs/dbraw/zinc/86/31/51/388863151.db2.gz OYTGZFIXSMDBGO-RYUDHWBXSA-N 2 1 222.336 0.955 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855797 388894621 /nfs/dbraw/zinc/89/46/21/388894621.db2.gz FASMXVULPJBQAX-PWSUYJOCSA-N 2 1 224.348 0.831 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855797 388894623 /nfs/dbraw/zinc/89/46/23/388894623.db2.gz FASMXVULPJBQAX-PWSUYJOCSA-N 2 1 224.348 0.831 20 0 BCADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000564988230 388905872 /nfs/dbraw/zinc/90/58/72/388905872.db2.gz JYFPBDWRJUJBKM-SECBINFHSA-N 2 1 238.339 0.203 20 0 BCADMP O=C([C@@H]1CSC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000565003219 388908088 /nfs/dbraw/zinc/90/80/88/388908088.db2.gz WEYYMTZPJAWKPU-VIFPVBQESA-N 2 1 241.360 0.003 20 0 BCADMP CC[N@@H+](C[C@H]1CCCO1)C[C@](C)(O)C[NH2+]C ZINC000565095735 388913327 /nfs/dbraw/zinc/91/33/27/388913327.db2.gz PDPSTWRVBBSWAS-VXGBXAGGSA-N 2 1 230.352 0.458 20 0 BCADMP CC(C)[N@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565190091 388923183 /nfs/dbraw/zinc/92/31/83/388923183.db2.gz UTLKJZXGLDVENM-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565190091 388923187 /nfs/dbraw/zinc/92/31/87/388923187.db2.gz UTLKJZXGLDVENM-UHFFFAOYSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210321 388925969 /nfs/dbraw/zinc/92/59/69/388925969.db2.gz UDOJVZXABBQYEU-LLVKDONJSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+][C@@H]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000564988101 388904812 /nfs/dbraw/zinc/90/48/12/388904812.db2.gz IAANUPWGRJYPJD-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP C[NH2+][C@@H]1CCCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000564988101 388904815 /nfs/dbraw/zinc/90/48/15/388904815.db2.gz IAANUPWGRJYPJD-CHWSQXEVSA-N 2 1 241.379 0.391 20 0 BCADMP COCC1(C[NH2+]CC(C)(C)N)CC[NH2+]CC1 ZINC000565774748 388968711 /nfs/dbraw/zinc/96/87/11/388968711.db2.gz OHFAVJPFTZNLSP-UHFFFAOYSA-N 2 1 229.368 0.330 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000565344283 388938780 /nfs/dbraw/zinc/93/87/80/388938780.db2.gz WZKFRANCBNQNMV-NWDGAFQWSA-N 2 1 242.363 0.458 20 0 BCADMP [NH3+][C@@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000565364978 388939961 /nfs/dbraw/zinc/93/99/61/388939961.db2.gz RQEROTMHOZJIIS-UPJWGTAASA-N 2 1 239.363 0.273 20 0 BCADMP [NH3+][C@@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000565364978 388939964 /nfs/dbraw/zinc/93/99/64/388939964.db2.gz RQEROTMHOZJIIS-UPJWGTAASA-N 2 1 239.363 0.273 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000565538334 388952075 /nfs/dbraw/zinc/95/20/75/388952075.db2.gz TXYVNOYPNMTFMX-VXGBXAGGSA-N 2 1 241.379 0.975 20 0 BCADMP CN1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000566091318 388987569 /nfs/dbraw/zinc/98/75/69/388987569.db2.gz XFFYOTIXNJLCIJ-OUAUKWLOSA-N 2 1 225.336 0.467 20 0 BCADMP CCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000272445837 389031651 /nfs/dbraw/zinc/03/16/51/389031651.db2.gz LWFQCMHOLSSUIZ-JTQLQIEISA-N 2 1 224.308 0.435 20 0 BCADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@H]1CCC[NH2+]1 ZINC000400417466 533498788 /nfs/dbraw/zinc/49/87/88/533498788.db2.gz VPOQEPLEDTUYLG-UKKRHICBSA-N 2 1 200.326 0.876 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302041834 132361941 /nfs/dbraw/zinc/36/19/41/132361941.db2.gz RUGRTDDILHLYJY-SNVBAGLBSA-N 2 1 248.330 0.711 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000349931702 133926174 /nfs/dbraw/zinc/92/61/74/133926174.db2.gz AKIMVYBODSRWPY-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[C@H](CC[NH3+])NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000349931702 133926175 /nfs/dbraw/zinc/92/61/75/133926175.db2.gz AKIMVYBODSRWPY-GFCCVEGCSA-N 2 1 249.358 0.972 20 0 BCADMP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167528392 134003306 /nfs/dbraw/zinc/00/33/06/134003306.db2.gz WXKSXUQFOIJKDD-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[N@H+](CCN2CCOCC2)[C@@H](C)CN1C ZINC000351933168 134014342 /nfs/dbraw/zinc/01/43/42/134014342.db2.gz AJRCKWRQUXNACV-STQMWFEESA-N 2 1 241.379 0.343 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCOCC2)[C@@H](C)CN1C ZINC000351933168 134014343 /nfs/dbraw/zinc/01/43/43/134014343.db2.gz AJRCKWRQUXNACV-STQMWFEESA-N 2 1 241.379 0.343 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000335969175 134029345 /nfs/dbraw/zinc/02/93/45/134029345.db2.gz PJCZFRSFPQLYNB-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000335969175 134029346 /nfs/dbraw/zinc/02/93/46/134029346.db2.gz PJCZFRSFPQLYNB-WDEREUQCSA-N 2 1 225.336 0.101 20 0 BCADMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000336212340 134135088 /nfs/dbraw/zinc/13/50/88/134135088.db2.gz OEMDCIUNHCLWGG-CMPLNLGQSA-N 2 1 243.326 0.146 20 0 BCADMP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110478 134249484 /nfs/dbraw/zinc/24/94/84/134249484.db2.gz QBTROBOTBZDKHQ-ZYHUDNBSSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[N@@H+](C)C1CC1 ZINC000218868621 134265237 /nfs/dbraw/zinc/26/52/37/134265237.db2.gz KFNLIKCSVREANL-DTWKUNHWSA-N 2 1 213.325 0.180 20 0 BCADMP CNC(=O)[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000218812386 134265352 /nfs/dbraw/zinc/26/53/52/134265352.db2.gz JHAMDVCITGAUHW-ZRUFSTJUSA-N 2 1 227.352 0.439 20 0 BCADMP CNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000218812386 134265354 /nfs/dbraw/zinc/26/53/54/134265354.db2.gz JHAMDVCITGAUHW-ZRUFSTJUSA-N 2 1 227.352 0.439 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172423360 134266078 /nfs/dbraw/zinc/26/60/78/134266078.db2.gz CCGDZFOOOKSKRW-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC[N@H+]1C ZINC000219307188 134281182 /nfs/dbraw/zinc/28/11/82/134281182.db2.gz ABGZKIXVZNQCBF-QWHCGFSZSA-N 3 1 243.395 0.637 20 0 BCADMP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCN1C ZINC000219307188 134281183 /nfs/dbraw/zinc/28/11/83/134281183.db2.gz ABGZKIXVZNQCBF-QWHCGFSZSA-N 2 1 243.395 0.637 20 0 BCADMP COC[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000219861082 134292180 /nfs/dbraw/zinc/29/21/80/134292180.db2.gz SMTMZPJSEROMGV-MNOVXSKESA-N 2 1 200.326 0.953 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC)C1 ZINC000177033449 134293735 /nfs/dbraw/zinc/29/37/35/134293735.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 1 227.352 0.396 20 0 BCADMP COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057297 134297089 /nfs/dbraw/zinc/29/70/89/134297089.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057297 134297090 /nfs/dbraw/zinc/29/70/90/134297090.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057297 134297091 /nfs/dbraw/zinc/29/70/91/134297091.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057297 134297092 /nfs/dbraw/zinc/29/70/92/134297092.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 2 1 230.352 0.408 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)C)[C@H](C)C1 ZINC000178293410 134305932 /nfs/dbraw/zinc/30/59/32/134305932.db2.gz XUDWYTXXJQBJFB-VXGBXAGGSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178519428 134308094 /nfs/dbraw/zinc/30/80/94/134308094.db2.gz KEIQGUSADSBPKE-JTQLQIEISA-N 2 1 213.325 0.134 20 0 BCADMP c1ncn([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178972432 134314154 /nfs/dbraw/zinc/31/41/54/134314154.db2.gz SXCWDINFOAXOMM-ZDUSSCGKSA-N 2 1 249.362 0.915 20 0 BCADMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815844 134315868 /nfs/dbraw/zinc/31/58/68/134315868.db2.gz BUSXAUUSPSUJSC-UTLUCORTSA-N 2 1 213.325 0.275 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867300 134316035 /nfs/dbraw/zinc/31/60/35/134316035.db2.gz IRJGTILJGFOWAD-FOGDFJRCSA-N 2 1 237.347 0.480 20 0 BCADMP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000178885288 134316291 /nfs/dbraw/zinc/31/62/91/134316291.db2.gz APUPXQINVOAZAB-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000180233131 134328407 /nfs/dbraw/zinc/32/84/07/134328407.db2.gz YMAVIOPRZKIVKX-LBPRGKRZSA-N 2 1 241.379 0.786 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CO)[C@@H](C)C1 ZINC000222659305 134333580 /nfs/dbraw/zinc/33/35/80/134333580.db2.gz AMSMNRKEOMHBLC-WOPDTQHZSA-N 2 1 214.353 0.935 20 0 BCADMP COC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222702260 134334287 /nfs/dbraw/zinc/33/42/87/134334287.db2.gz ARVFXOWXPPKYIX-QJPTWQEYSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223583741 134340575 /nfs/dbraw/zinc/34/05/75/134340575.db2.gz PAQRGLIFFZRUPY-GARJFASQSA-N 2 1 200.326 0.830 20 0 BCADMP COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182342943 134344194 /nfs/dbraw/zinc/34/41/94/134344194.db2.gz AIFNCMFVXQTUJQ-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182342943 134344195 /nfs/dbraw/zinc/34/41/95/134344195.db2.gz AIFNCMFVXQTUJQ-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP COC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182342943 134344196 /nfs/dbraw/zinc/34/41/96/134344196.db2.gz AIFNCMFVXQTUJQ-NEPJUHHUSA-N 2 1 230.352 0.267 20 0 BCADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000224044815 134344617 /nfs/dbraw/zinc/34/46/17/134344617.db2.gz MAJFXMKLOKIFJY-MNOVXSKESA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000225247554 134351830 /nfs/dbraw/zinc/35/18/30/134351830.db2.gz VILXUIVPSSVUDU-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP CSC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226324967 134360193 /nfs/dbraw/zinc/36/01/93/134360193.db2.gz VDLATPRSGAZCCJ-LLVKDONJSA-N 2 1 232.393 0.784 20 0 BCADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831114 134369736 /nfs/dbraw/zinc/36/97/36/134369736.db2.gz PJQSMFZWGLWATL-YNEHKIRRSA-N 2 1 224.348 0.974 20 0 BCADMP OCCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227501600 134382174 /nfs/dbraw/zinc/38/21/74/134382174.db2.gz WYEFZKMYSGHMFL-CHWSQXEVSA-N 2 1 242.363 0.602 20 0 BCADMP OCC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000049773829 134637385 /nfs/dbraw/zinc/63/73/85/134637385.db2.gz BVSVLWWORCXANT-UHFFFAOYSA-N 2 1 241.379 0.082 20 0 BCADMP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C(C)C ZINC000234749280 135043861 /nfs/dbraw/zinc/04/38/61/135043861.db2.gz SCHBMWAQCNVDSL-QWRGUYRKSA-N 2 1 200.326 0.999 20 0 BCADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249848896 135046270 /nfs/dbraw/zinc/04/62/70/135046270.db2.gz IAZHUFAFLOFHEJ-RYUDHWBXSA-N 2 1 239.363 0.729 20 0 BCADMP CNC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250362381 135052584 /nfs/dbraw/zinc/05/25/84/135052584.db2.gz DEUJFZIJLSHDON-MNOVXSKESA-N 2 1 225.336 0.339 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250508392 135055709 /nfs/dbraw/zinc/05/57/09/135055709.db2.gz NEDBOTFYFXONFR-RWMBFGLXSA-N 2 1 242.363 0.600 20 0 BCADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH2+]C1 ZINC000251291262 135068007 /nfs/dbraw/zinc/06/80/07/135068007.db2.gz NROZDMVKNNRGNB-UTUOFQBUSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251706479 135074350 /nfs/dbraw/zinc/07/43/50/135074350.db2.gz JEDOTZQUTDJMHG-RYUDHWBXSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000251739096 135076950 /nfs/dbraw/zinc/07/69/50/135076950.db2.gz CSBZQVLPBFQWOV-UTUOFQBUSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252198232 135086973 /nfs/dbraw/zinc/08/69/73/135086973.db2.gz VVILLYPXRWIEPG-HBNTYKKESA-N 2 1 227.352 0.713 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593437 135090261 /nfs/dbraw/zinc/09/02/61/135090261.db2.gz NUIIRCAKUODQTP-QWHCGFSZSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593437 135090263 /nfs/dbraw/zinc/09/02/63/135090263.db2.gz NUIIRCAKUODQTP-QWHCGFSZSA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593438 135090407 /nfs/dbraw/zinc/09/04/07/135090407.db2.gz NUIIRCAKUODQTP-STQMWFEESA-N 2 1 242.363 0.456 20 0 BCADMP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593438 135090409 /nfs/dbraw/zinc/09/04/09/135090409.db2.gz NUIIRCAKUODQTP-STQMWFEESA-N 2 1 242.363 0.456 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252543136 135092347 /nfs/dbraw/zinc/09/23/47/135092347.db2.gz GRXKAPBOLWAQIC-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252543136 135092348 /nfs/dbraw/zinc/09/23/48/135092348.db2.gz GRXKAPBOLWAQIC-RWMBFGLXSA-N 2 1 242.363 0.864 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000252689932 135097253 /nfs/dbraw/zinc/09/72/53/135097253.db2.gz SRBHCMIVFWRGJX-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000252689932 135097255 /nfs/dbraw/zinc/09/72/55/135097255.db2.gz SRBHCMIVFWRGJX-QWRGUYRKSA-N 2 1 227.352 0.522 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000252708482 135098534 /nfs/dbraw/zinc/09/85/34/135098534.db2.gz ADWLCCHLPAYYJC-IWSPIJDZSA-N 2 1 240.269 0.839 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000252708482 135098536 /nfs/dbraw/zinc/09/85/36/135098536.db2.gz ADWLCCHLPAYYJC-IWSPIJDZSA-N 2 1 240.269 0.839 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC000252712369 135100278 /nfs/dbraw/zinc/10/02/78/135100278.db2.gz MFRHOGXEXLBVKN-UTUOFQBUSA-N 2 1 230.352 0.314 20 0 BCADMP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887007 135100625 /nfs/dbraw/zinc/10/06/25/135100625.db2.gz GEKSOVGSMWNEFB-ZJUUUORDSA-N 2 1 213.325 0.134 20 0 BCADMP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000086930516 135102612 /nfs/dbraw/zinc/10/26/12/135102612.db2.gz OWWCSQBRLBTKBL-GMTAPVOTSA-N 2 1 225.336 0.419 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252762718 135108354 /nfs/dbraw/zinc/10/83/54/135108354.db2.gz HFXGTXOXRDXOJM-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252762718 135108356 /nfs/dbraw/zinc/10/83/56/135108356.db2.gz HFXGTXOXRDXOJM-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP COCC(C)(C)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261538494 135108829 /nfs/dbraw/zinc/10/88/29/135108829.db2.gz YHFLVAQUMTWXSK-NXEZZACHSA-N 2 1 200.326 0.938 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843196 135113301 /nfs/dbraw/zinc/11/33/01/135113301.db2.gz CZAULXQRYHASPJ-NOOOWODRSA-N 2 1 239.363 0.522 20 0 BCADMP CC[NH+](C/C=C\C[N@@H+](CC)CCO)CCO ZINC000255325200 135128871 /nfs/dbraw/zinc/12/88/71/135128871.db2.gz FDRKSNWHUQKEOT-WAYWQWQTSA-N 2 1 230.352 0.171 20 0 BCADMP Cc1cn[nH]c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137659 /nfs/dbraw/zinc/13/76/59/135137659.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 1 220.320 0.904 20 0 BCADMP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000259193012 135137887 /nfs/dbraw/zinc/13/78/87/135137887.db2.gz WPAOQKSNXKABGT-JTQLQIEISA-N 2 1 242.294 0.586 20 0 BCADMP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000259193012 135137888 /nfs/dbraw/zinc/13/78/88/135137888.db2.gz WPAOQKSNXKABGT-JTQLQIEISA-N 2 1 242.294 0.586 20 0 BCADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n[nH]1 ZINC000257674252 135139083 /nfs/dbraw/zinc/13/90/83/135139083.db2.gz JGTNGMGKCAQPJK-UHFFFAOYSA-N 2 1 220.320 0.985 20 0 BCADMP C[NH2+]CCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000257763873 135141800 /nfs/dbraw/zinc/14/18/00/135141800.db2.gz AVKCNLKEDKRZOJ-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP COC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000261137002 135149224 /nfs/dbraw/zinc/14/92/24/135149224.db2.gz MUSKSKARQUYYDX-SNVBAGLBSA-N 2 1 214.309 0.433 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000261137002 135149225 /nfs/dbraw/zinc/14/92/25/135149225.db2.gz MUSKSKARQUYYDX-SNVBAGLBSA-N 2 1 214.309 0.433 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C(C)(C)[NH3+] ZINC000261530332 135157395 /nfs/dbraw/zinc/15/73/95/135157395.db2.gz CMXHLWXNRORBKA-UHFFFAOYSA-N 2 1 210.281 0.045 20 0 BCADMP Cn1cncc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261531449 135160048 /nfs/dbraw/zinc/16/00/48/135160048.db2.gz GOKILAPJNYWHDB-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP Cn1cncc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261531449 135160049 /nfs/dbraw/zinc/16/00/49/135160049.db2.gz GOKILAPJNYWHDB-LLVKDONJSA-N 2 1 208.309 0.591 20 0 BCADMP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261533544 135164940 /nfs/dbraw/zinc/16/49/40/135164940.db2.gz KVSHIKBZWDNOPR-MRVPVSSYSA-N 2 1 200.282 0.219 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261533544 135164941 /nfs/dbraw/zinc/16/49/41/135164941.db2.gz KVSHIKBZWDNOPR-MRVPVSSYSA-N 2 1 200.282 0.219 20 0 BCADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000269682255 135166498 /nfs/dbraw/zinc/16/64/98/135166498.db2.gz SVHDKPNANVMOBR-KOLCDFICSA-N 2 1 238.335 0.681 20 0 BCADMP C[N@H+](CCC(N)=O)CC[C@@H]1CCC[NH+]1C ZINC000353169364 135167268 /nfs/dbraw/zinc/16/72/68/135167268.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[NH3+])C1 ZINC000261536376 135171438 /nfs/dbraw/zinc/17/14/38/135171438.db2.gz RMFQXZFQGKZBBP-GFCCVEGCSA-N 2 1 211.353 0.609 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000261539869 135178396 /nfs/dbraw/zinc/17/83/96/135178396.db2.gz CBZLEJXISZYXCO-VXGBXAGGSA-N 2 1 241.379 0.690 20 0 BCADMP C[C@H]1COCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261545078 135186756 /nfs/dbraw/zinc/18/67/56/135186756.db2.gz JOKKITZUDDUNRA-NEPJUHHUSA-N 2 1 212.337 0.954 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000261553343 135193254 /nfs/dbraw/zinc/19/32/54/135193254.db2.gz AEFSRYQSTKYTMU-CQSZACIVSA-N 2 1 247.342 0.956 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000261553343 135193255 /nfs/dbraw/zinc/19/32/55/135193255.db2.gz AEFSRYQSTKYTMU-CQSZACIVSA-N 2 1 247.342 0.956 20 0 BCADMP C[NH+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000261556391 135196014 /nfs/dbraw/zinc/19/60/14/135196014.db2.gz BZVJMDGOQNXHSS-UHFFFAOYSA-N 2 1 249.314 0.669 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561178 135201753 /nfs/dbraw/zinc/20/17/53/135201753.db2.gz AKWYJFLOKNJHKW-NWDGAFQWSA-N 2 1 228.336 0.191 20 0 BCADMP COC(=O)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261562527 135204502 /nfs/dbraw/zinc/20/45/02/135204502.db2.gz BIYLBOHSAJPACF-SECBINFHSA-N 2 1 214.309 0.751 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261582032 135222387 /nfs/dbraw/zinc/22/23/87/135222387.db2.gz NZJAYGHSDTYCEA-LLVKDONJSA-N 2 1 223.324 0.210 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000261582032 135222389 /nfs/dbraw/zinc/22/23/89/135222389.db2.gz NZJAYGHSDTYCEA-LLVKDONJSA-N 2 1 223.324 0.210 20 0 BCADMP c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261584339 135225442 /nfs/dbraw/zinc/22/54/42/135225442.db2.gz PRJJMQSXTCHPBO-NWDGAFQWSA-N 2 1 220.320 0.424 20 0 BCADMP c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261584339 135225444 /nfs/dbraw/zinc/22/54/44/135225444.db2.gz PRJJMQSXTCHPBO-NWDGAFQWSA-N 2 1 220.320 0.424 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164397837 135227383 /nfs/dbraw/zinc/22/73/83/135227383.db2.gz PIFDNISZUWOLLE-ZRUFSTJUSA-N 2 1 225.336 0.310 20 0 BCADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261591684 135231784 /nfs/dbraw/zinc/23/17/84/135231784.db2.gz VMDBDEWNDUFIPB-CMPLNLGQSA-N 3 1 211.353 0.655 20 0 BCADMP CNC(=O)CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261546669 135239238 /nfs/dbraw/zinc/23/92/38/135239238.db2.gz LERBBMQUTKPJJL-LLVKDONJSA-N 2 1 213.325 0.054 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261649997 135242748 /nfs/dbraw/zinc/24/27/48/135242748.db2.gz FJROVMJVEZYKEZ-QWRGUYRKSA-N 2 1 227.352 0.524 20 0 BCADMP CNC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261695211 135246857 /nfs/dbraw/zinc/24/68/57/135246857.db2.gz BSOYQCOTAYUEIJ-ZYHUDNBSSA-N 2 1 227.352 0.300 20 0 BCADMP COC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261769167 135251465 /nfs/dbraw/zinc/25/14/65/135251465.db2.gz MLLYXGZMHGKIRB-ZDUSSCGKSA-N 2 1 240.347 0.871 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261849808 135256858 /nfs/dbraw/zinc/25/68/58/135256858.db2.gz QHERNBPLKYSCDZ-NEPJUHHUSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@]1(C[N@@H+]2CCCC3(C2)OCCO3)CC[NH2+]C1 ZINC000261872591 135259372 /nfs/dbraw/zinc/25/93/72/135259372.db2.gz PCUPPBHVVRKNSN-LBPRGKRZSA-N 2 1 240.347 0.825 20 0 BCADMP C[C@]1(C[N@H+]2CCCC3(C2)OCCO3)CC[NH2+]C1 ZINC000261872591 135259374 /nfs/dbraw/zinc/25/93/74/135259374.db2.gz PCUPPBHVVRKNSN-LBPRGKRZSA-N 2 1 240.347 0.825 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261903341 135261847 /nfs/dbraw/zinc/26/18/47/135261847.db2.gz VIGAFRBUFCEZGI-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP COCCO[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262012422 135272294 /nfs/dbraw/zinc/27/22/94/135272294.db2.gz MKDDZVKMQSRBKB-STQMWFEESA-N 2 1 242.363 0.723 20 0 BCADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C(N)=O)C1 ZINC000262018919 135272971 /nfs/dbraw/zinc/27/29/71/135272971.db2.gz VZETWEFNJQODHS-PWSUYJOCSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000262022173 135273679 /nfs/dbraw/zinc/27/36/79/135273679.db2.gz WHOCTODCQMKYLJ-WOPDTQHZSA-N 2 1 212.337 0.546 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262049249 135276262 /nfs/dbraw/zinc/27/62/62/135276262.db2.gz UVRWCPIYCBODNB-WDEREUQCSA-N 2 1 227.352 0.522 20 0 BCADMP c1nc2n(n1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000262054141 135277271 /nfs/dbraw/zinc/27/72/71/135277271.db2.gz ZXYSRBQTUHZQFP-UHFFFAOYSA-N 2 1 221.308 0.093 20 0 BCADMP c1nc2n(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000262054141 135277273 /nfs/dbraw/zinc/27/72/73/135277273.db2.gz ZXYSRBQTUHZQFP-UHFFFAOYSA-N 2 1 221.308 0.093 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075437 135278129 /nfs/dbraw/zinc/27/81/29/135278129.db2.gz SODZOHCUBWVQPD-YPMHNXCESA-N 2 1 239.363 0.573 20 0 BCADMP C[C@@H](CNC1=[NH+]CCCN1)[N@@H+](C)C1CC1 ZINC000262174743 135284093 /nfs/dbraw/zinc/28/40/93/135284093.db2.gz VUIORKLDYDENBO-VIFPVBQESA-N 2 1 210.325 0.408 20 0 BCADMP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262185884 135284386 /nfs/dbraw/zinc/28/43/86/135284386.db2.gz SVSRWUUKHTVIFT-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]CCCN1 ZINC000262199478 135285414 /nfs/dbraw/zinc/28/54/14/135285414.db2.gz ZZZSOWBTSUXAFB-JTQLQIEISA-N 2 1 212.341 0.656 20 0 BCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1C[NH2+]C1 ZINC000262247935 135288082 /nfs/dbraw/zinc/28/80/82/135288082.db2.gz PDRSLWUUVMNSMX-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1C[NH2+]C1 ZINC000262247934 135288129 /nfs/dbraw/zinc/28/81/29/135288129.db2.gz PDRSLWUUVMNSMX-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CC[N@H+]1C ZINC000262265998 135288872 /nfs/dbraw/zinc/28/88/72/135288872.db2.gz SAZXZARKUQTRNP-GXSJLCMTSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000262281755 135289844 /nfs/dbraw/zinc/28/98/44/135289844.db2.gz ZGGZRZRPJXAACS-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000262307067 135292423 /nfs/dbraw/zinc/29/24/23/135292423.db2.gz CLBCUNWJDZJVNN-WOPDTQHZSA-N 2 1 241.379 0.960 20 0 BCADMP COCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262311394 135292550 /nfs/dbraw/zinc/29/25/50/135292550.db2.gz CWTKGECIGLHXFC-NSHDSACASA-N 2 1 240.351 0.036 20 0 BCADMP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000262336166 135293736 /nfs/dbraw/zinc/29/37/36/135293736.db2.gz HGWJTYRQXKABDG-SDDRHHMPSA-N 2 1 241.379 0.960 20 0 BCADMP C[NH2+]CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000262349086 135294647 /nfs/dbraw/zinc/29/46/47/135294647.db2.gz ITTVZBIRZWLGKM-RYUDHWBXSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000262453636 135300566 /nfs/dbraw/zinc/30/05/66/135300566.db2.gz UXSQQRRNTQTCGT-SDDRHHMPSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH2+]CCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000262476505 135301494 /nfs/dbraw/zinc/30/14/94/135301494.db2.gz YYBPGRFSGGZIAX-UHFFFAOYSA-N 2 1 249.358 0.844 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000342603826 135302244 /nfs/dbraw/zinc/30/22/44/135302244.db2.gz CCWLQVJWPZCZBZ-SNVBAGLBSA-N 2 1 222.292 0.141 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000342603826 135302245 /nfs/dbraw/zinc/30/22/45/135302245.db2.gz CCWLQVJWPZCZBZ-SNVBAGLBSA-N 2 1 222.292 0.141 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262641848 135310554 /nfs/dbraw/zinc/31/05/54/135310554.db2.gz QPNYHCACRWPKFQ-NEPJUHHUSA-N 2 1 239.363 0.680 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342753322 135312201 /nfs/dbraw/zinc/31/22/01/135312201.db2.gz PQTOIRXSWJOPIO-CYBMUJFWSA-N 2 1 241.379 0.834 20 0 BCADMP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000342710956 135312980 /nfs/dbraw/zinc/31/29/80/135312980.db2.gz PZZUOILWELUKSK-BDAKNGLRSA-N 2 1 249.305 0.298 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262842037 135320785 /nfs/dbraw/zinc/32/07/85/135320785.db2.gz JAWKHVDMRDSCLH-WDEREUQCSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263227956 135340691 /nfs/dbraw/zinc/34/06/91/135340691.db2.gz BGCXGKDJLZAQJE-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334294711 135341235 /nfs/dbraw/zinc/34/12/35/135341235.db2.gz UQJFOOBAGPKMJH-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334294711 135341236 /nfs/dbraw/zinc/34/12/36/135341236.db2.gz UQJFOOBAGPKMJH-JTQLQIEISA-N 2 1 213.325 0.101 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000334306563 135348823 /nfs/dbraw/zinc/34/88/23/135348823.db2.gz GZSYBTHCDHSGGM-GFCCVEGCSA-N 2 1 225.336 0.102 20 0 BCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000334358946 135370714 /nfs/dbraw/zinc/37/07/14/135370714.db2.gz UTWIXYQEBOADHH-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000334358946 135370715 /nfs/dbraw/zinc/37/07/15/135370715.db2.gz UTWIXYQEBOADHH-WDEREUQCSA-N 2 1 227.352 0.489 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086066555 135489751 /nfs/dbraw/zinc/48/97/51/135489751.db2.gz KAIIBRQMMZTUKS-QWRGUYRKSA-N 2 1 227.352 0.300 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000334916547 135841128 /nfs/dbraw/zinc/84/11/28/135841128.db2.gz BWJJWRVJSYNJHL-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP CCN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010525 /nfs/dbraw/zinc/01/05/25/136010525.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CCN(C)C[C@@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010526 /nfs/dbraw/zinc/01/05/26/136010526.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010527 /nfs/dbraw/zinc/01/05/27/136010527.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010528 /nfs/dbraw/zinc/01/05/28/136010528.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010529 /nfs/dbraw/zinc/01/05/29/136010529.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000347743376 136010530 /nfs/dbraw/zinc/01/05/30/136010530.db2.gz FVCBNIJEMPTNBY-STQMWFEESA-N 2 1 242.363 0.600 20 0 BCADMP CCN(C)C[C@H]1CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011063 /nfs/dbraw/zinc/01/10/63/136011063.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CCN(C)C[C@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011064 /nfs/dbraw/zinc/01/10/64/136011064.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011065 /nfs/dbraw/zinc/01/10/65/136011065.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011066 /nfs/dbraw/zinc/01/10/66/136011066.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011067 /nfs/dbraw/zinc/01/10/67/136011067.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000347743368 136011068 /nfs/dbraw/zinc/01/10/68/136011068.db2.gz FVCBNIJEMPTNBY-CHWSQXEVSA-N 2 1 242.363 0.600 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335308990 136028188 /nfs/dbraw/zinc/02/81/88/136028188.db2.gz RXHOMTNLHPLAMM-PWSUYJOCSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335308991 136028292 /nfs/dbraw/zinc/02/82/92/136028292.db2.gz RXHOMTNLHPLAMM-ZYHUDNBSSA-N 3 1 211.353 0.798 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](C)CC1 ZINC000335341156 136063950 /nfs/dbraw/zinc/06/39/50/136063950.db2.gz FLDCBQRYGDJCER-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)C)CC[N@H+]1C ZINC000348344397 136071569 /nfs/dbraw/zinc/07/15/69/136071569.db2.gz WKRUTQGCZVYABF-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2C[NH2+]C2)C[C@H]1C ZINC000335376921 136086074 /nfs/dbraw/zinc/08/60/74/136086074.db2.gz DOCWDMGALSNCBK-ZJUUUORDSA-N 2 1 240.351 0.082 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(=O)NCC1CC1 ZINC000166196703 136116868 /nfs/dbraw/zinc/11/68/68/136116868.db2.gz OTWOFXRTKHIRNT-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000166196703 136116870 /nfs/dbraw/zinc/11/68/70/136116870.db2.gz OTWOFXRTKHIRNT-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000166196703 136116871 /nfs/dbraw/zinc/11/68/71/136116871.db2.gz OTWOFXRTKHIRNT-JQWIXIFHSA-N 2 1 239.363 0.442 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308952320 397843523 /nfs/dbraw/zinc/84/35/23/397843523.db2.gz PLMXBXGIKBFITA-HBNTYKKESA-N 2 1 216.325 0.066 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308952320 397843524 /nfs/dbraw/zinc/84/35/24/397843524.db2.gz PLMXBXGIKBFITA-HBNTYKKESA-N 2 1 216.325 0.066 20 0 BCADMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000356117158 397928412 /nfs/dbraw/zinc/92/84/12/397928412.db2.gz MPNAILFRKXBVPH-LLVKDONJSA-N 2 1 242.367 0.284 20 0 BCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000647697710 397930478 /nfs/dbraw/zinc/93/04/78/397930478.db2.gz CYEOWWYEXDTNQM-GRYCIOLGSA-N 2 1 239.363 0.442 20 0 BCADMP CN(C)c1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000382417522 397948221 /nfs/dbraw/zinc/94/82/21/397948221.db2.gz HZEZTYBGSQKDFZ-UWVGGRQHSA-N 2 1 235.335 0.646 20 0 BCADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091764 397948840 /nfs/dbraw/zinc/94/88/40/397948840.db2.gz FOJKIUOYFCHOOL-NWDGAFQWSA-N 2 1 241.379 0.975 20 0 BCADMP CCCNC(=O)C[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC000647881166 397915567 /nfs/dbraw/zinc/91/55/67/397915567.db2.gz JPVIBIOTVKVWND-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CCCNC(=O)C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC000647881166 397915575 /nfs/dbraw/zinc/91/55/75/397915575.db2.gz JPVIBIOTVKVWND-GFCCVEGCSA-N 2 1 241.379 0.834 20 0 BCADMP CC(C)OCCC[N@@H+](C)CCOCC[NH3+] ZINC000382879065 397990140 /nfs/dbraw/zinc/99/01/40/397990140.db2.gz RFIDQNSLYPPHQF-UHFFFAOYSA-N 2 1 218.341 0.709 20 0 BCADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418201695 397991926 /nfs/dbraw/zinc/99/19/26/397991926.db2.gz SEYKXMLGOPPCEY-WDEREUQCSA-N 2 1 242.367 0.458 20 0 BCADMP CC1([NH3+])CC[NH+](CCN2CCCC2=O)CC1 ZINC000647925523 397993391 /nfs/dbraw/zinc/99/33/91/397993391.db2.gz MJPJFVDRDDPPTL-UHFFFAOYSA-N 2 1 225.336 0.422 20 0 BCADMP [NH3+]Cc1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000650229046 397998854 /nfs/dbraw/zinc/99/88/54/397998854.db2.gz NVAZWHBYOXPMHQ-HTQZYQBOSA-N 2 1 208.265 0.731 20 0 BCADMP [NH3+]Cc1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000650229047 397998914 /nfs/dbraw/zinc/99/89/14/397998914.db2.gz NVAZWHBYOXPMHQ-JGVFFNPUSA-N 2 1 208.265 0.731 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953112 398009521 /nfs/dbraw/zinc/00/95/21/398009521.db2.gz BUIXWNYACCSGJX-MWLCHTKSSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953142 398010071 /nfs/dbraw/zinc/01/00/71/398010071.db2.gz DJZJXIBPBUQKTM-ONGXEEELSA-N 2 1 225.336 0.182 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000383585841 398030040 /nfs/dbraw/zinc/03/00/40/398030040.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000383585841 398030043 /nfs/dbraw/zinc/03/00/43/398030043.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000383585841 398030045 /nfs/dbraw/zinc/03/00/45/398030045.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000383585841 398030047 /nfs/dbraw/zinc/03/00/47/398030047.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 2 1 244.379 0.392 20 0 BCADMP C[NH+](C)CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000169810682 398031313 /nfs/dbraw/zinc/03/13/13/398031313.db2.gz MBAVWAMGNJWQLB-LLVKDONJSA-N 2 1 225.336 0.245 20 0 BCADMP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000637863323 398032530 /nfs/dbraw/zinc/03/25/30/398032530.db2.gz XWELBTSDXVJZGW-NSHDSACASA-N 2 1 241.379 0.914 20 0 BCADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccn(C)c(=O)c1 ZINC000383753028 398036490 /nfs/dbraw/zinc/03/64/90/398036490.db2.gz ZYDFZWQDLBBZPY-CYBMUJFWSA-N 2 1 237.347 0.848 20 0 BCADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000019843093 397983401 /nfs/dbraw/zinc/98/34/01/397983401.db2.gz FSJQMAQTTLEJNB-LLVKDONJSA-N 2 1 225.336 0.280 20 0 BCADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000019843093 397983406 /nfs/dbraw/zinc/98/34/06/397983406.db2.gz FSJQMAQTTLEJNB-LLVKDONJSA-N 2 1 225.336 0.280 20 0 BCADMP CC(C)OCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000382856264 397984890 /nfs/dbraw/zinc/98/48/90/397984890.db2.gz LJNBJTHLJBIQCT-UHFFFAOYSA-N 2 1 243.395 0.639 20 0 BCADMP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000638096254 398075648 /nfs/dbraw/zinc/07/56/48/398075648.db2.gz GOBUTZXOXVNUHO-SNVBAGLBSA-N 2 1 215.341 0.441 20 0 BCADMP CC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418419311 398088108 /nfs/dbraw/zinc/08/81/08/398088108.db2.gz YTHLIKJIUQWXHK-LLVKDONJSA-N 2 1 242.367 0.317 20 0 BCADMP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccnc(N)c1 ZINC000649763963 398091417 /nfs/dbraw/zinc/09/14/17/398091417.db2.gz LSIJJLMKDMGZET-GHMZBOCLSA-N 2 1 237.303 0.076 20 0 BCADMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000566121465 398096199 /nfs/dbraw/zinc/09/61/99/398096199.db2.gz HGLWMVSAMCLJGO-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566121465 398096204 /nfs/dbraw/zinc/09/62/04/398096204.db2.gz HGLWMVSAMCLJGO-RTXFEEFZSA-N 2 1 242.363 0.599 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000236936267 398118408 /nfs/dbraw/zinc/11/84/08/398118408.db2.gz MFJJBKSXMMPTFK-KKZNHRDASA-N 2 1 225.336 0.465 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000309202942 398114402 /nfs/dbraw/zinc/11/44/02/398114402.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000309202942 398114405 /nfs/dbraw/zinc/11/44/05/398114405.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000309202942 398114406 /nfs/dbraw/zinc/11/44/06/398114406.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000309202942 398114409 /nfs/dbraw/zinc/11/44/09/398114409.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 2 1 230.352 0.267 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000389711679 398127436 /nfs/dbraw/zinc/12/74/36/398127436.db2.gz WCHVBFPSEHPKJM-VHSXEESVSA-N 2 1 235.335 0.374 20 0 BCADMP COCC(COC)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000385027351 398127908 /nfs/dbraw/zinc/12/79/08/398127908.db2.gz JRDOLXHZKPUDFI-MNOVXSKESA-N 2 1 230.352 0.720 20 0 BCADMP COCC(COC)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385027351 398127910 /nfs/dbraw/zinc/12/79/10/398127910.db2.gz JRDOLXHZKPUDFI-MNOVXSKESA-N 2 1 230.352 0.720 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000336711445 398134415 /nfs/dbraw/zinc/13/44/15/398134415.db2.gz RGLQRHNSQVYEPL-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000336711445 398134420 /nfs/dbraw/zinc/13/44/20/398134420.db2.gz RGLQRHNSQVYEPL-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226402556 173362346 /nfs/dbraw/zinc/36/23/46/173362346.db2.gz XHAIATBDEUZOMD-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226402556 173362347 /nfs/dbraw/zinc/36/23/47/173362347.db2.gz XHAIATBDEUZOMD-ZJUUUORDSA-N 2 1 213.325 0.004 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127811128 167059293 /nfs/dbraw/zinc/05/92/93/167059293.db2.gz BSGAODQXEMSEMI-VXGBXAGGSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127811128 167059295 /nfs/dbraw/zinc/05/92/95/167059295.db2.gz BSGAODQXEMSEMI-VXGBXAGGSA-N 2 1 239.363 0.727 20 0 BCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH+](C)C ZINC000674361801 487566760 /nfs/dbraw/zinc/56/67/60/487566760.db2.gz ZFJZVEIWYULLNR-NSHDSACASA-N 2 1 227.352 0.539 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000324375471 487587060 /nfs/dbraw/zinc/58/70/60/487587060.db2.gz YDWKAMMKQYIQFI-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000324375471 487587067 /nfs/dbraw/zinc/58/70/67/487587067.db2.gz YDWKAMMKQYIQFI-QWHCGFSZSA-N 2 1 244.379 0.704 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000383163431 487589774 /nfs/dbraw/zinc/58/97/74/487589774.db2.gz MFMROKLFSHIXFM-NWDGAFQWSA-N 2 1 244.379 0.845 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCO ZINC000308990444 487604452 /nfs/dbraw/zinc/60/44/52/487604452.db2.gz IAASKMDXRKEUML-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCO ZINC000308990444 487604454 /nfs/dbraw/zinc/60/44/54/487604454.db2.gz IAASKMDXRKEUML-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCO ZINC000308990444 487604458 /nfs/dbraw/zinc/60/44/58/487604458.db2.gz IAASKMDXRKEUML-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCO ZINC000308990444 487604459 /nfs/dbraw/zinc/60/44/59/487604459.db2.gz IAASKMDXRKEUML-NSHDSACASA-N 2 1 218.341 0.002 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000309000758 487605061 /nfs/dbraw/zinc/60/50/61/487605061.db2.gz LKIDAFNCZGROJT-MNOVXSKESA-N 2 1 218.341 0.000 20 0 BCADMP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018913 487609027 /nfs/dbraw/zinc/60/90/27/487609027.db2.gz DQVCAQJQDKLCRB-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018913 487609030 /nfs/dbraw/zinc/60/90/30/487609030.db2.gz DQVCAQJQDKLCRB-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662247257 409543375 /nfs/dbraw/zinc/54/33/75/409543375.db2.gz WFRLWLNENJZZQD-BTTYYORXSA-N 2 1 237.391 0.870 20 0 BCADMP C[C@H]1CSCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254126 409552673 /nfs/dbraw/zinc/55/26/73/409552673.db2.gz FZUYUTFCOWSUFW-WDEREUQCSA-N 2 1 242.388 0.945 20 0 BCADMP C[C@@H]1CCCC[C@@H]1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662285926 409618575 /nfs/dbraw/zinc/61/85/75/409618575.db2.gz MOZZHBDHHHXSOT-UPJWGTAASA-N 2 1 244.379 0.427 20 0 BCADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662285926 409618578 /nfs/dbraw/zinc/61/85/78/409618578.db2.gz MOZZHBDHHHXSOT-UPJWGTAASA-N 2 1 244.379 0.427 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273185 409580300 /nfs/dbraw/zinc/58/03/00/409580300.db2.gz MIMXXAMAFWSIRL-QWRGUYRKSA-N 2 1 216.325 0.319 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC ZINC000662273211 409581524 /nfs/dbraw/zinc/58/15/24/409581524.db2.gz KGMFJKAGJMZWNQ-WOPDTQHZSA-N 2 1 228.336 0.332 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000662515533 409743221 /nfs/dbraw/zinc/74/32/21/409743221.db2.gz VUFJITSQAUBIQQ-GARJFASQSA-N 2 1 225.336 0.147 20 0 BCADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662681261 409831908 /nfs/dbraw/zinc/83/19/08/409831908.db2.gz DLBGHGKJVNPSAN-MNOVXSKESA-N 2 1 239.363 0.442 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000653133487 409853014 /nfs/dbraw/zinc/85/30/14/409853014.db2.gz MYALEWPESIJPPC-JGVFFNPUSA-N 2 1 235.278 0.357 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000653133486 409853123 /nfs/dbraw/zinc/85/31/23/409853123.db2.gz MYALEWPESIJPPC-HTQZYQBOSA-N 2 1 235.278 0.357 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000660833126 409813923 /nfs/dbraw/zinc/81/39/23/409813923.db2.gz KXGZPILUFFSARV-GFCCVEGCSA-N 2 1 236.319 0.402 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655350325 409921809 /nfs/dbraw/zinc/92/18/09/409921809.db2.gz IDWJYPCEFQANQE-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655350325 409921817 /nfs/dbraw/zinc/92/18/17/409921817.db2.gz IDWJYPCEFQANQE-NEPJUHHUSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851895 409953439 /nfs/dbraw/zinc/95/34/39/409953439.db2.gz FERQTJIRJXQWOS-GMTAPVOTSA-N 2 1 239.363 0.713 20 0 BCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662803065 409928652 /nfs/dbraw/zinc/92/86/52/409928652.db2.gz UXQMPRHUSJSFBJ-MGCOHNPYSA-N 2 1 225.336 0.276 20 0 BCADMP C[NH+](C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889729 409937523 /nfs/dbraw/zinc/93/75/23/409937523.db2.gz PFMINRXJKRWPFA-CYBMUJFWSA-N 2 1 225.380 0.870 20 0 BCADMP C[NH2+]CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839041 409946506 /nfs/dbraw/zinc/94/65/06/409946506.db2.gz OUTFAHLIQAWXCU-WDEREUQCSA-N 2 1 225.336 0.339 20 0 BCADMP [NH3+]Cc1ccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)c(F)c1 ZINC000663496196 410274530 /nfs/dbraw/zinc/27/45/30/410274530.db2.gz DAEKMTKEAJNTMT-JSGCOSHPSA-N 3 1 249.333 0.984 20 0 BCADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000650709894 410340079 /nfs/dbraw/zinc/34/00/79/410340079.db2.gz WFVQNYJJFYDLOD-AAEUAGOBSA-N 3 1 223.364 0.786 20 0 BCADMP [NH3+]CC1(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000650709894 410340084 /nfs/dbraw/zinc/34/00/84/410340084.db2.gz WFVQNYJJFYDLOD-AAEUAGOBSA-N 2 1 223.364 0.786 20 0 BCADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724768 410360489 /nfs/dbraw/zinc/36/04/89/410360489.db2.gz LXBQOUJTADYHNN-YNEHKIRRSA-N 3 1 241.379 0.696 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000655460167 410571723 /nfs/dbraw/zinc/57/17/23/410571723.db2.gz WZAVSKWGLYYNCD-CMPLNLGQSA-N 2 1 248.330 0.162 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653273715 410546347 /nfs/dbraw/zinc/54/63/47/410546347.db2.gz MJKDEUWWVPEYOI-UHFFFAOYSA-N 2 1 249.305 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248837 410731559 /nfs/dbraw/zinc/73/15/59/410731559.db2.gz DGASLIZPQNULPE-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665248837 410731565 /nfs/dbraw/zinc/73/15/65/410731565.db2.gz DGASLIZPQNULPE-GHMZBOCLSA-N 2 1 211.353 0.798 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000665273900 410742472 /nfs/dbraw/zinc/74/24/72/410742472.db2.gz GKBULXNFVUWTKJ-TUAOUCFPSA-N 2 1 211.353 0.940 20 0 BCADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000665280681 410757264 /nfs/dbraw/zinc/75/72/64/410757264.db2.gz IZNGVUVYHKCFID-TUAOUCFPSA-N 2 1 213.369 0.900 20 0 BCADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000665280681 410757268 /nfs/dbraw/zinc/75/72/68/410757268.db2.gz IZNGVUVYHKCFID-TUAOUCFPSA-N 2 1 213.369 0.900 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000393838653 410760495 /nfs/dbraw/zinc/76/04/95/410760495.db2.gz SKXRHYARPRKRQF-WDEREUQCSA-N 2 1 244.404 0.925 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000393838653 410760501 /nfs/dbraw/zinc/76/05/01/410760501.db2.gz SKXRHYARPRKRQF-WDEREUQCSA-N 2 1 244.404 0.925 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000393789584 410761513 /nfs/dbraw/zinc/76/15/13/410761513.db2.gz CSDAEMHUYPUGMA-LBPRGKRZSA-N 2 1 222.336 0.884 20 0 BCADMP c1ncn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000394303695 410785780 /nfs/dbraw/zinc/78/57/80/410785780.db2.gz SYHZHBFXJBEZMA-OLZOCXBDSA-N 2 1 249.362 0.885 20 0 BCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298690 410797027 /nfs/dbraw/zinc/79/70/27/410797027.db2.gz BRUYAPLSEDMORG-CMPLNLGQSA-N 2 1 235.331 0.697 20 0 BCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298691 410798918 /nfs/dbraw/zinc/79/89/18/410798918.db2.gz BRUYAPLSEDMORG-JQWIXIFHSA-N 2 1 235.331 0.697 20 0 BCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298693 410798933 /nfs/dbraw/zinc/79/89/33/410798933.db2.gz BRUYAPLSEDMORG-ZYHUDNBSSA-N 2 1 235.331 0.697 20 0 BCADMP CC[NH+](CC)CCC[NH2+][C@](C)(CC)C(N)=O ZINC000336767637 169776052 /nfs/dbraw/zinc/77/60/52/169776052.db2.gz PXWIZLDAPCBYPL-GFCCVEGCSA-N 2 1 229.368 0.962 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000665297559 410819141 /nfs/dbraw/zinc/81/91/41/410819141.db2.gz IEFYUFQXGCBUJY-RKDXNWHRSA-N 2 1 213.325 0.241 20 0 BCADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000665298071 410820572 /nfs/dbraw/zinc/82/05/72/410820572.db2.gz RELUJUZFKPUDRV-PWSUYJOCSA-N 2 1 230.352 0.626 20 0 BCADMP CC(C)N1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000334141424 167025316 /nfs/dbraw/zinc/02/53/16/167025316.db2.gz GYXQZMFEENGDND-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000334141424 167025314 /nfs/dbraw/zinc/02/53/14/167025314.db2.gz GYXQZMFEENGDND-NEPJUHHUSA-N 2 1 239.363 0.666 20 0 BCADMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125401449 167053402 /nfs/dbraw/zinc/05/34/02/167053402.db2.gz AQOYOJAOCNYVEN-TUAOUCFPSA-N 2 1 239.363 0.570 20 0 BCADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000044802713 167395068 /nfs/dbraw/zinc/39/50/68/167395068.db2.gz RVXNPXUKPQCTBY-WDEREUQCSA-N 2 1 227.352 0.285 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623332 411077834 /nfs/dbraw/zinc/07/78/34/411077834.db2.gz ZMKMYSIGPSKWHS-XQHKEYJVSA-N 2 1 244.379 0.248 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623332 411077839 /nfs/dbraw/zinc/07/78/39/411077839.db2.gz ZMKMYSIGPSKWHS-XQHKEYJVSA-N 2 1 244.379 0.248 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623332 411077846 /nfs/dbraw/zinc/07/78/46/411077846.db2.gz ZMKMYSIGPSKWHS-XQHKEYJVSA-N 2 1 244.379 0.248 20 0 BCADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000399190046 411023356 /nfs/dbraw/zinc/02/33/56/411023356.db2.gz YHHPDRHUHREULX-GHMZBOCLSA-N 2 1 237.347 0.339 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538981 411137541 /nfs/dbraw/zinc/13/75/41/411137541.db2.gz WRYCAMYTUFDAMG-AAEUAGOBSA-N 2 1 241.379 0.962 20 0 BCADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000044763181 411139765 /nfs/dbraw/zinc/13/97/65/411139765.db2.gz MVKSXMILHJRHNR-NSHDSACASA-N 2 1 241.379 0.962 20 0 BCADMP COC(=O)[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1C1CC1 ZINC000593320448 411139823 /nfs/dbraw/zinc/13/98/23/411139823.db2.gz JDRDGQRABHEVBG-WDEREUQCSA-N 2 1 226.320 0.466 20 0 BCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659989628 411158177 /nfs/dbraw/zinc/15/81/77/411158177.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659989628 411158180 /nfs/dbraw/zinc/15/81/80/411158180.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000659989628 411158183 /nfs/dbraw/zinc/15/81/83/411158183.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 2 1 244.379 0.921 20 0 BCADMP COC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659989747 411159135 /nfs/dbraw/zinc/15/91/35/411159135.db2.gz SGNCOTIWOFHRRU-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659989747 411159136 /nfs/dbraw/zinc/15/91/36/411159136.db2.gz SGNCOTIWOFHRRU-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659989747 411159141 /nfs/dbraw/zinc/15/91/41/411159141.db2.gz SGNCOTIWOFHRRU-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP COC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659989747 411159145 /nfs/dbraw/zinc/15/91/45/411159145.db2.gz SGNCOTIWOFHRRU-OLZOCXBDSA-N 2 1 244.379 0.798 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000400656611 411159210 /nfs/dbraw/zinc/15/92/10/411159210.db2.gz XLRIXNBSNOGQIY-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000400656611 411159213 /nfs/dbraw/zinc/15/92/13/411159213.db2.gz XLRIXNBSNOGQIY-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CC(=O)N1CCCC1)CC1CC[NH2+]CC1 ZINC000043497640 411119530 /nfs/dbraw/zinc/11/95/30/411119530.db2.gz UVLMLCHXMBCOFL-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP CCNC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000043497656 411119618 /nfs/dbraw/zinc/11/96/18/411119618.db2.gz FLJNZIOGADAPPO-UHFFFAOYSA-N 2 1 213.325 0.054 20 0 BCADMP C[NH2+]CCNC(=O)NCCC[N@@H+](C)CC(C)C ZINC000652204570 411168423 /nfs/dbraw/zinc/16/84/23/411168423.db2.gz WPPOFYKXBCCYRC-UHFFFAOYSA-N 2 1 244.383 0.483 20 0 BCADMP C[C@@H](c1cnccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070480046 411170591 /nfs/dbraw/zinc/17/05/91/411170591.db2.gz PJFGQGJJKLIHDT-LBPRGKRZSA-N 2 1 249.362 0.375 20 0 BCADMP C[C@@H](c1cnccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070480046 411170594 /nfs/dbraw/zinc/17/05/94/411170594.db2.gz PJFGQGJJKLIHDT-LBPRGKRZSA-N 2 1 249.362 0.375 20 0 BCADMP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000061678258 411177931 /nfs/dbraw/zinc/17/79/31/411177931.db2.gz FEUHBORYGQBLEG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000061678258 411177935 /nfs/dbraw/zinc/17/79/35/411177935.db2.gz FEUHBORYGQBLEG-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000054133585 411243559 /nfs/dbraw/zinc/24/35/59/411243559.db2.gz ODZJZJJLTWAQLW-UHFFFAOYSA-N 2 1 227.352 0.714 20 0 BCADMP COCC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800429 411183612 /nfs/dbraw/zinc/18/36/12/411183612.db2.gz LLSKHBHBLGUGHD-LBPRGKRZSA-N 2 1 229.368 0.248 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CS1 ZINC000655754754 411185007 /nfs/dbraw/zinc/18/50/07/411185007.db2.gz HBCMRAGNRURVHO-IJLUTSLNSA-N 2 1 244.404 0.927 20 0 BCADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CS1 ZINC000655754754 411185008 /nfs/dbraw/zinc/18/50/08/411185008.db2.gz HBCMRAGNRURVHO-IJLUTSLNSA-N 2 1 244.404 0.927 20 0 BCADMP COCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000656155154 411189491 /nfs/dbraw/zinc/18/94/91/411189491.db2.gz KETFSQWAKDOSJT-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP COCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000656155154 411189493 /nfs/dbraw/zinc/18/94/93/411189493.db2.gz KETFSQWAKDOSJT-LBPRGKRZSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C1 ZINC000656193596 411198666 /nfs/dbraw/zinc/19/86/66/411198666.db2.gz OGHSECPBUUJNOP-DCAQKATOSA-N 2 1 249.362 0.260 20 0 BCADMP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193872 411199608 /nfs/dbraw/zinc/19/96/08/411199608.db2.gz WMHVJIPJCXHERE-RWMBFGLXSA-N 2 1 241.379 0.111 20 0 BCADMP C1C[C@@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@@H+]2C1 ZINC000310066878 411201890 /nfs/dbraw/zinc/20/18/90/411201890.db2.gz BTELLSHBTBNHKF-DGCLKSJQSA-N 2 1 240.347 0.618 20 0 BCADMP C1C[C@@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@H+]2C1 ZINC000310066878 411201893 /nfs/dbraw/zinc/20/18/93/411201893.db2.gz BTELLSHBTBNHKF-DGCLKSJQSA-N 2 1 240.347 0.618 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC(C)C ZINC000652337197 411204928 /nfs/dbraw/zinc/20/49/28/411204928.db2.gz RUOBEBXAQZQOFI-LLVKDONJSA-N 2 1 202.342 0.935 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349710 411210751 /nfs/dbraw/zinc/21/07/51/411210751.db2.gz ZULPCGXIILCUDK-RVMXOQNASA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349710 411210753 /nfs/dbraw/zinc/21/07/53/411210753.db2.gz ZULPCGXIILCUDK-RVMXOQNASA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349710 411210756 /nfs/dbraw/zinc/21/07/56/411210756.db2.gz ZULPCGXIILCUDK-RVMXOQNASA-N 2 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349710 411210757 /nfs/dbraw/zinc/21/07/57/411210757.db2.gz ZULPCGXIILCUDK-RVMXOQNASA-N 2 1 241.379 0.552 20 0 BCADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349711 411211028 /nfs/dbraw/zinc/21/10/28/411211028.db2.gz ZULPCGXIILCUDK-WUHRBBMRSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349711 411211029 /nfs/dbraw/zinc/21/10/29/411211029.db2.gz ZULPCGXIILCUDK-WUHRBBMRSA-N 3 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349711 411211030 /nfs/dbraw/zinc/21/10/30/411211030.db2.gz ZULPCGXIILCUDK-WUHRBBMRSA-N 2 1 241.379 0.552 20 0 BCADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349711 411211031 /nfs/dbraw/zinc/21/10/31/411211031.db2.gz ZULPCGXIILCUDK-WUHRBBMRSA-N 2 1 241.379 0.552 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000652356818 411215183 /nfs/dbraw/zinc/21/51/83/411215183.db2.gz JLAWWGGBPNMEON-CHWSQXEVSA-N 2 1 242.363 0.709 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653904189 411219246 /nfs/dbraw/zinc/21/92/46/411219246.db2.gz OURLZMAWVAEQKU-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653904189 411219249 /nfs/dbraw/zinc/21/92/49/411219249.db2.gz OURLZMAWVAEQKU-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653904189 411219251 /nfs/dbraw/zinc/21/92/51/411219251.db2.gz OURLZMAWVAEQKU-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653904189 411219255 /nfs/dbraw/zinc/21/92/55/411219255.db2.gz OURLZMAWVAEQKU-JQWIXIFHSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365199071 411247217 /nfs/dbraw/zinc/24/72/17/411247217.db2.gz FSZGDRMJKMJBNN-GARJFASQSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422884533 411234005 /nfs/dbraw/zinc/23/40/05/411234005.db2.gz XFYCVSAMCSYKIH-NEPJUHHUSA-N 2 1 213.369 0.914 20 0 BCADMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310473178 411238632 /nfs/dbraw/zinc/23/86/32/411238632.db2.gz CALBULAGEYEKEL-AAEUAGOBSA-N 2 1 239.363 0.526 20 0 BCADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000310567396 411240656 /nfs/dbraw/zinc/24/06/56/411240656.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 1 244.379 0.657 20 0 BCADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000310567393 411241331 /nfs/dbraw/zinc/24/13/31/411241331.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP C[C@@H](C[NH3+])n1cc(C[NH+]2CCCC2)nn1 ZINC000656458308 411267506 /nfs/dbraw/zinc/26/75/06/411267506.db2.gz UYWFTGQKXBXDNH-VIFPVBQESA-N 2 1 209.297 0.394 20 0 BCADMP Cc1cncc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000402596418 411269950 /nfs/dbraw/zinc/26/99/50/411269950.db2.gz OLQLHRWNVOMMPB-VXGBXAGGSA-N 2 1 232.331 0.479 20 0 BCADMP C[C@H]1CC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383315 411280875 /nfs/dbraw/zinc/28/08/75/411280875.db2.gz YUQYMVZRTCEESC-QWHCGFSZSA-N 2 1 241.379 0.391 20 0 BCADMP CC(C)c1[nH+]ccn1C[C@@H]1C[NH2+]CCO1 ZINC000070649609 411283049 /nfs/dbraw/zinc/28/30/49/411283049.db2.gz WFFVFHGMAPXKOG-JTQLQIEISA-N 2 1 209.293 0.995 20 0 BCADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@@H]1C[NH2+]CCO1 ZINC000656611428 411310738 /nfs/dbraw/zinc/31/07/38/411310738.db2.gz HPRMOQSROYEEFI-ZJUUUORDSA-N 2 1 225.292 0.346 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259665 411318279 /nfs/dbraw/zinc/31/82/79/411318279.db2.gz NGGNMRYGWZBUBD-GRYCIOLGSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H](C[NH+]1CCOCC1)N1CCC[C@H]([NH3+])C1 ZINC000070586147 411318304 /nfs/dbraw/zinc/31/83/04/411318304.db2.gz UATBYGFJDWXRRU-NEPJUHHUSA-N 2 1 227.352 0.130 20 0 BCADMP C[N@H+]1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558994 411324641 /nfs/dbraw/zinc/32/46/41/411324641.db2.gz BSKDXALCLPVHSQ-OLZOCXBDSA-N 2 1 241.379 0.127 20 0 BCADMP C[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698640 411248896 /nfs/dbraw/zinc/24/88/96/411248896.db2.gz QEGCTFDNWMGSCA-AAEUAGOBSA-N 2 1 242.363 0.458 20 0 BCADMP C[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698667 411248978 /nfs/dbraw/zinc/24/89/78/411248978.db2.gz RPHTXWSPWQCSHA-YPMHNXCESA-N 2 1 242.363 0.600 20 0 BCADMP CC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770619 411252022 /nfs/dbraw/zinc/25/20/22/411252022.db2.gz MVZNYEZVSRKDLU-OLZOCXBDSA-N 2 1 242.363 0.600 20 0 BCADMP C[NH2+][C@H](C)c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440898 411259472 /nfs/dbraw/zinc/25/94/72/411259472.db2.gz PAZHYDHVANXXEC-MRVPVSSYSA-N 2 1 203.249 0.943 20 0 BCADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000658349158 411350509 /nfs/dbraw/zinc/35/05/09/411350509.db2.gz VFTCRMUTVJAGGO-VLJOUNFMSA-N 2 1 224.348 0.972 20 0 BCADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCOCC[NH3+] ZINC000403791895 411360003 /nfs/dbraw/zinc/36/00/03/411360003.db2.gz IQCQJDOTOHGTAF-NEPJUHHUSA-N 2 1 230.352 0.851 20 0 BCADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000656790728 411371122 /nfs/dbraw/zinc/37/11/22/411371122.db2.gz LZYQGHGYXHKUKN-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000656790728 411371124 /nfs/dbraw/zinc/37/11/24/411371124.db2.gz LZYQGHGYXHKUKN-VHSXEESVSA-N 2 1 225.336 0.324 20 0 BCADMP CC(C)([NH3+])CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656791122 411371254 /nfs/dbraw/zinc/37/12/54/411371254.db2.gz UBCTVEJKSHNEGL-NSHDSACASA-N 2 1 227.352 0.130 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227452 168293511 /nfs/dbraw/zinc/29/35/11/168293511.db2.gz WFILDPGXIYGOCM-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224227452 168293512 /nfs/dbraw/zinc/29/35/12/168293512.db2.gz WFILDPGXIYGOCM-MNOVXSKESA-N 2 1 241.379 0.960 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404424774 411396122 /nfs/dbraw/zinc/39/61/22/411396122.db2.gz KYUFWEWKVBTPIW-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP CCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309448644 411397172 /nfs/dbraw/zinc/39/71/72/411397172.db2.gz PODQJRVBRIVXIQ-VXGBXAGGSA-N 2 1 230.352 0.192 20 0 BCADMP CCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309448644 411397174 /nfs/dbraw/zinc/39/71/74/411397174.db2.gz PODQJRVBRIVXIQ-VXGBXAGGSA-N 2 1 230.352 0.192 20 0 BCADMP CCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071337 411402627 /nfs/dbraw/zinc/40/26/27/411402627.db2.gz KJYYIYBFHHIIQK-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP CCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071337 411402628 /nfs/dbraw/zinc/40/26/28/411402628.db2.gz KJYYIYBFHHIIQK-NSHDSACASA-N 2 1 229.368 0.785 20 0 BCADMP [NH3+]CC(F)(F)CC(=O)NC1CCC([NH3+])CC1 ZINC000653047116 411402980 /nfs/dbraw/zinc/40/29/80/411402980.db2.gz GAWIRLZWFMALAW-UHFFFAOYSA-N 2 1 235.278 0.357 20 0 BCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000654480196 411403489 /nfs/dbraw/zinc/40/34/89/411403489.db2.gz RTAJQCKFFCHFBT-WDEREUQCSA-N 2 1 227.352 0.395 20 0 BCADMP CCCNC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653501771 411414253 /nfs/dbraw/zinc/41/42/53/411414253.db2.gz ICYYJDRBVSQCAL-TXEJJXNPSA-N 2 1 239.363 0.444 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659439995 411414722 /nfs/dbraw/zinc/41/47/22/411414722.db2.gz DMLSEILHBPTEND-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126909159 411462164 /nfs/dbraw/zinc/46/21/64/411462164.db2.gz HDERSVDKSVEONN-SKDRFNHKSA-N 2 1 249.314 0.173 20 0 BCADMP C[NH2+]C[C@@H](C)NC(=O)NCCn1cc[nH+]c1C ZINC000659446248 411416379 /nfs/dbraw/zinc/41/63/79/411416379.db2.gz AGHPWNGDHBKSPT-SECBINFHSA-N 2 1 239.323 0.099 20 0 BCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659449089 411416400 /nfs/dbraw/zinc/41/64/00/411416400.db2.gz QFMJAFIUNRMPPH-GHMZBOCLSA-N 2 1 244.383 0.624 20 0 BCADMP CN(CC(C)(C)[NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000659455330 411416425 /nfs/dbraw/zinc/41/64/25/411416425.db2.gz WOXNPRLCZHFYMO-UHFFFAOYSA-N 2 1 242.367 0.459 20 0 BCADMP CCOC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653563976 411421494 /nfs/dbraw/zinc/42/14/94/411421494.db2.gz KKDVHXFNZQYSFE-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653563976 411421497 /nfs/dbraw/zinc/42/14/97/411421497.db2.gz KKDVHXFNZQYSFE-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653563976 411421499 /nfs/dbraw/zinc/42/14/99/411421499.db2.gz KKDVHXFNZQYSFE-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CCOC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653563976 411421501 /nfs/dbraw/zinc/42/15/01/411421501.db2.gz KKDVHXFNZQYSFE-CHWSQXEVSA-N 2 1 244.379 0.657 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568041 411423566 /nfs/dbraw/zinc/42/35/66/411423566.db2.gz JDTBFNZPGNFQED-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568041 411423569 /nfs/dbraw/zinc/42/35/69/411423569.db2.gz JDTBFNZPGNFQED-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000653568041 411423572 /nfs/dbraw/zinc/42/35/72/411423572.db2.gz JDTBFNZPGNFQED-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000653568041 411423574 /nfs/dbraw/zinc/42/35/74/411423574.db2.gz JDTBFNZPGNFQED-OLZOCXBDSA-N 2 1 242.363 0.411 20 0 BCADMP CC[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000122242649 411425434 /nfs/dbraw/zinc/42/54/34/411425434.db2.gz SYUOJAKGDKADJN-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000122242649 411425435 /nfs/dbraw/zinc/42/54/35/411425435.db2.gz SYUOJAKGDKADJN-JQWIXIFHSA-N 2 1 222.336 0.979 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CO ZINC000653587853 411426834 /nfs/dbraw/zinc/42/68/34/411426834.db2.gz WFZSSUZUULPKHP-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CO ZINC000653587853 411426836 /nfs/dbraw/zinc/42/68/36/411426836.db2.gz WFZSSUZUULPKHP-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000653587853 411426838 /nfs/dbraw/zinc/42/68/38/411426838.db2.gz WFZSSUZUULPKHP-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000653587853 411426839 /nfs/dbraw/zinc/42/68/39/411426839.db2.gz WFZSSUZUULPKHP-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CCO[C@@H]1C[N@@H+](CCCOC)C[C@H]1C[NH3+] ZINC000405396969 411427248 /nfs/dbraw/zinc/42/72/48/411427248.db2.gz ULHKPIJGBXQFMJ-GHMZBOCLSA-N 2 1 216.325 0.319 20 0 BCADMP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659540798 411431907 /nfs/dbraw/zinc/43/19/07/411431907.db2.gz XAZYCLOATAIOGT-ZJUUUORDSA-N 2 1 242.367 0.506 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541085 411432196 /nfs/dbraw/zinc/43/21/96/411432196.db2.gz ZOJLCXDMIQTUSB-NXEZZACHSA-N 2 1 228.340 0.117 20 0 BCADMP CCO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000405516777 411432975 /nfs/dbraw/zinc/43/29/75/411432975.db2.gz HOJRMLRUWPSDCR-CHWSQXEVSA-N 2 1 242.363 0.709 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000659551549 411434612 /nfs/dbraw/zinc/43/46/12/411434612.db2.gz VFRPCCOGCWUXQE-AXFHLTTASA-N 2 1 242.367 0.506 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000653614205 411440397 /nfs/dbraw/zinc/44/03/97/411440397.db2.gz SJHATKBRTRIGRU-NSHDSACASA-N 2 1 212.337 0.831 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611147 411441206 /nfs/dbraw/zinc/44/12/06/411441206.db2.gz PTOWBAKJDYTUGX-GHMZBOCLSA-N 2 1 240.351 0.213 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)CC(C)C ZINC000653621510 411446365 /nfs/dbraw/zinc/44/63/65/411446365.db2.gz QVRIHNFTYWKMCE-CHWSQXEVSA-N 2 1 246.395 0.638 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)CC(C)C ZINC000653621510 411446367 /nfs/dbraw/zinc/44/63/67/411446367.db2.gz QVRIHNFTYWKMCE-CHWSQXEVSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000653621510 411446369 /nfs/dbraw/zinc/44/63/69/411446369.db2.gz QVRIHNFTYWKMCE-CHWSQXEVSA-N 2 1 246.395 0.638 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000653621510 411446371 /nfs/dbraw/zinc/44/63/71/411446371.db2.gz QVRIHNFTYWKMCE-CHWSQXEVSA-N 2 1 246.395 0.638 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000659643315 411446529 /nfs/dbraw/zinc/44/65/29/411446529.db2.gz QNXPXXJGDFLLPI-GARJFASQSA-N 2 1 242.367 0.328 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000653632232 411451853 /nfs/dbraw/zinc/45/18/53/411451853.db2.gz LJFKXYHUHQQDPS-GVXVVHGQSA-N 2 1 244.379 0.533 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000653632232 411451857 /nfs/dbraw/zinc/45/18/57/411451857.db2.gz LJFKXYHUHQQDPS-GVXVVHGQSA-N 2 1 244.379 0.533 20 0 BCADMP Cc1ncc(CNCC[NH+]2CCCC2)n1C ZINC000657292115 411452893 /nfs/dbraw/zinc/45/28/93/411452893.db2.gz IPOYEMICDSXFAK-UHFFFAOYSA-N 2 1 222.336 0.914 20 0 BCADMP OCC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658354294 411475401 /nfs/dbraw/zinc/47/54/01/411475401.db2.gz ZWLYRDGQTOKHBD-UHFFFAOYSA-N 2 1 224.348 0.974 20 0 BCADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979547 411478658 /nfs/dbraw/zinc/47/86/58/411478658.db2.gz UMPIJDJYPTXYLW-CMPLNLGQSA-N 2 1 211.353 0.668 20 0 BCADMP CC(C)N1CC[C@H]([N@H+](C)CCC[NH3+])C1=O ZINC000309469582 411496374 /nfs/dbraw/zinc/49/63/74/411496374.db2.gz QTORNJXBFMOSAD-JTQLQIEISA-N 2 1 213.325 0.276 20 0 BCADMP CC(C)N1CC[C@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000309469582 411496382 /nfs/dbraw/zinc/49/63/82/411496382.db2.gz QTORNJXBFMOSAD-JTQLQIEISA-N 2 1 213.325 0.276 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000659928502 411501384 /nfs/dbraw/zinc/50/13/84/411501384.db2.gz VJDNJBIBRYVODS-RYUDHWBXSA-N 2 1 230.352 0.531 20 0 BCADMP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655795550 411515754 /nfs/dbraw/zinc/51/57/54/411515754.db2.gz CQDAFBZZVLARKP-CYBMUJFWSA-N 2 1 242.363 0.600 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000250250080 170006409 /nfs/dbraw/zinc/00/64/09/170006409.db2.gz ILDMHQHVUANJFM-QWRGUYRKSA-N 2 1 227.352 0.572 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310390156 170007360 /nfs/dbraw/zinc/00/73/60/170007360.db2.gz RKFWHDXNGZKLHX-IUCAKERBSA-N 2 1 249.305 0.427 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040464016 170008014 /nfs/dbraw/zinc/00/80/14/170008014.db2.gz AWHNLYIRYMEVNU-QWRGUYRKSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000356990376 170008182 /nfs/dbraw/zinc/00/81/82/170008182.db2.gz MEBKSJMKTCOPSP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000356990376 170008183 /nfs/dbraw/zinc/00/81/83/170008183.db2.gz MEBKSJMKTCOPSP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000356990376 170008185 /nfs/dbraw/zinc/00/81/85/170008185.db2.gz MEBKSJMKTCOPSP-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195365 170008506 /nfs/dbraw/zinc/00/85/06/170008506.db2.gz UAJSUKJGWPIBRH-QWRGUYRKSA-N 2 1 200.326 0.953 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009511 /nfs/dbraw/zinc/00/95/11/170009511.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 2 1 213.369 0.997 20 0 BCADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C)[C@H](C)C1 ZINC000308864808 170013094 /nfs/dbraw/zinc/01/30/94/170013094.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864808 170013095 /nfs/dbraw/zinc/01/30/95/170013095.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864808 170013096 /nfs/dbraw/zinc/01/30/96/170013096.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484130 170014950 /nfs/dbraw/zinc/01/49/50/170014950.db2.gz KQCMRFTWAQBPCZ-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249753972 170014979 /nfs/dbraw/zinc/01/49/79/170014979.db2.gz SMIVJPVJSJQAJZ-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000248504233 170015419 /nfs/dbraw/zinc/01/54/19/170015419.db2.gz VIHKGSMHYNZIMX-GMTAPVOTSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248504234 170015705 /nfs/dbraw/zinc/01/57/05/170015705.db2.gz VIHKGSMHYNZIMX-OUAUKWLOSA-N 2 1 227.352 0.428 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250395431 170015827 /nfs/dbraw/zinc/01/58/27/170015827.db2.gz YOOMDHDSAXCHAO-VXGBXAGGSA-N 2 1 239.363 0.444 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000336751316 170016074 /nfs/dbraw/zinc/01/60/74/170016074.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336751316 170016076 /nfs/dbraw/zinc/01/60/76/170016076.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336751316 170016078 /nfs/dbraw/zinc/01/60/78/170016078.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000336751316 170016079 /nfs/dbraw/zinc/01/60/79/170016079.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000336751316 170016080 /nfs/dbraw/zinc/01/60/80/170016080.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 1 225.380 0.868 20 0 BCADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987103 170016613 /nfs/dbraw/zinc/01/66/13/170016613.db2.gz YUDCNVBFXCZKNR-WDEREUQCSA-N 2 1 227.352 0.442 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCO)C[C@@H]1C ZINC000336715762 170018593 /nfs/dbraw/zinc/01/85/93/170018593.db2.gz UVDWETZJQKKEFP-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCO)C[C@@H]1C ZINC000336715762 170018595 /nfs/dbraw/zinc/01/85/95/170018595.db2.gz UVDWETZJQKKEFP-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCO)C[C@@H]1C ZINC000336715762 170018597 /nfs/dbraw/zinc/01/85/97/170018597.db2.gz UVDWETZJQKKEFP-STQMWFEESA-N 2 1 244.379 0.800 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000358023788 170020207 /nfs/dbraw/zinc/02/02/07/170020207.db2.gz KZARXMJHNCAIMR-RYUDHWBXSA-N 2 1 241.379 0.833 20 0 BCADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)C)C1 ZINC000336768134 170031861 /nfs/dbraw/zinc/03/18/61/170031861.db2.gz TTXPKPMZUVGPAO-VXGBXAGGSA-N 2 1 213.369 0.868 20 0 BCADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+](C)C)C1 ZINC000309053260 170038079 /nfs/dbraw/zinc/03/80/79/170038079.db2.gz SFKGDEPUQBCWCJ-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+](C)C)C1 ZINC000309053260 170038081 /nfs/dbraw/zinc/03/80/81/170038081.db2.gz SFKGDEPUQBCWCJ-QJPTWQEYSA-N 2 1 213.369 0.866 20 0 BCADMP CCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626502 170059922 /nfs/dbraw/zinc/05/99/22/170059922.db2.gz JBMGCTVVPUFMRZ-JTQLQIEISA-N 2 1 213.325 0.183 20 0 BCADMP CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336124884 170061610 /nfs/dbraw/zinc/06/16/10/170061610.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 1 225.336 0.150 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000358917511 170158071 /nfs/dbraw/zinc/15/80/71/170158071.db2.gz VDGQEIYXBQCRSB-UTUOFQBUSA-N 2 1 241.379 0.973 20 0 BCADMP COC[C@@H](CC[NH2+]C1CC[NH+](C)CC1)OC ZINC000657551818 411548071 /nfs/dbraw/zinc/54/80/71/411548071.db2.gz BQWSKIOTBURAPG-GFCCVEGCSA-N 2 1 230.352 0.722 20 0 BCADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000042430837 170205728 /nfs/dbraw/zinc/20/57/28/170205728.db2.gz YHFBDEYSJFCRON-LLVKDONJSA-N 2 1 228.336 0.871 20 0 BCADMP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328085 170266213 /nfs/dbraw/zinc/26/62/13/170266213.db2.gz YGJSKEHPOUFDMJ-QWRGUYRKSA-N 2 1 228.336 0.999 20 0 BCADMP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166302 170266743 /nfs/dbraw/zinc/26/67/43/170266743.db2.gz OGXIIYRPQFBQKJ-JTQLQIEISA-N 2 1 228.336 0.869 20 0 BCADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1(CO)CC1 ZINC000657603776 411563495 /nfs/dbraw/zinc/56/34/95/411563495.db2.gz QLNWOVYWDLUOEO-SNVBAGLBSA-N 2 1 212.337 0.831 20 0 BCADMP CCOCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336680199 170374602 /nfs/dbraw/zinc/37/46/02/170374602.db2.gz IXHADOCFGBJOSQ-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CCOCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000011892056 170375368 /nfs/dbraw/zinc/37/53/68/170375368.db2.gz CWDFEWQFMASIDS-NSHDSACASA-N 2 1 200.326 0.954 20 0 BCADMP C[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663340157 411628958 /nfs/dbraw/zinc/62/89/58/411628958.db2.gz JQXBYFJHURDXKB-UHFFFAOYSA-N 2 1 204.289 0.656 20 0 BCADMP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc(C)[nH+]1 ZINC000624776082 411646854 /nfs/dbraw/zinc/64/68/54/411646854.db2.gz XJCIDBBDFPCXQO-NSHDSACASA-N 2 1 236.319 0.572 20 0 BCADMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)nc(C)[nH+]1 ZINC000624776082 411646864 /nfs/dbraw/zinc/64/68/64/411646864.db2.gz XJCIDBBDFPCXQO-NSHDSACASA-N 2 1 236.319 0.572 20 0 BCADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657809010 411601812 /nfs/dbraw/zinc/60/18/12/411601812.db2.gz RVMQPDCUVLLQQQ-WISYIIOYSA-N 2 1 210.321 0.726 20 0 BCADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)CO ZINC000660609342 411606613 /nfs/dbraw/zinc/60/66/13/411606613.db2.gz USHNLWFNYHTIHM-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)CO ZINC000660609342 411606615 /nfs/dbraw/zinc/60/66/15/411606615.db2.gz USHNLWFNYHTIHM-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)CO ZINC000660609342 411606616 /nfs/dbraw/zinc/60/66/16/411606616.db2.gz USHNLWFNYHTIHM-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)CO ZINC000660609342 411606618 /nfs/dbraw/zinc/60/66/18/411606618.db2.gz USHNLWFNYHTIHM-VXGBXAGGSA-N 2 1 232.368 0.390 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657829789 411609237 /nfs/dbraw/zinc/60/92/37/411609237.db2.gz IHHPFHGGRAGJSV-LLVKDONJSA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840713 411609727 /nfs/dbraw/zinc/60/97/27/411609727.db2.gz VLRAAQKQJHREQH-AGIUHOORSA-N 2 1 249.362 0.883 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840715 411609894 /nfs/dbraw/zinc/60/98/94/411609894.db2.gz VLRAAQKQJHREQH-JHJVBQTASA-N 2 1 249.362 0.883 20 0 BCADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCSCC1 ZINC000657876514 411614855 /nfs/dbraw/zinc/61/48/55/411614855.db2.gz XJHHKHFDIOTJLV-MNOVXSKESA-N 2 1 232.393 0.784 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCSCC1 ZINC000657876516 411615053 /nfs/dbraw/zinc/61/50/53/411615053.db2.gz XJHHKHFDIOTJLV-WDEREUQCSA-N 2 1 232.393 0.784 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CCC1 ZINC000657874868 411615154 /nfs/dbraw/zinc/61/51/54/411615154.db2.gz BUMUDARIPNORRE-WDEREUQCSA-N 2 1 230.352 0.456 20 0 BCADMP COC1([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CCC1 ZINC000657874867 411615197 /nfs/dbraw/zinc/61/51/97/411615197.db2.gz BUMUDARIPNORRE-QWRGUYRKSA-N 2 1 230.352 0.456 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662962 411615541 /nfs/dbraw/zinc/61/55/41/411615541.db2.gz MEXVEPFCNWDAFD-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662962 411615542 /nfs/dbraw/zinc/61/55/42/411615542.db2.gz MEXVEPFCNWDAFD-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662962 411615543 /nfs/dbraw/zinc/61/55/43/411615543.db2.gz MEXVEPFCNWDAFD-NWDGAFQWSA-N 2 1 212.337 0.785 20 0 BCADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCO)CC1 ZINC000660693554 411617943 /nfs/dbraw/zinc/61/79/43/411617943.db2.gz HVZZHZMGSOLVRW-UHFFFAOYSA-N 2 1 244.379 0.441 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000133322412 411709712 /nfs/dbraw/zinc/70/97/12/411709712.db2.gz VRRODTWGYCOIST-ZYHUDNBSSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000133322412 411709714 /nfs/dbraw/zinc/70/97/14/411709714.db2.gz VRRODTWGYCOIST-ZYHUDNBSSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000133330080 411711934 /nfs/dbraw/zinc/71/19/34/411711934.db2.gz SEBAYBRILLWSFH-DCAQKATOSA-N 2 1 214.309 0.071 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000133330080 411711935 /nfs/dbraw/zinc/71/19/35/411711935.db2.gz SEBAYBRILLWSFH-DCAQKATOSA-N 2 1 214.309 0.071 20 0 BCADMP Cc1cc(NC[C@@H]2C[NH2+]CCCO2)nc(C)[nH+]1 ZINC000333562396 411649025 /nfs/dbraw/zinc/64/90/25/411649025.db2.gz OHAOFBHFMMEBEG-NSHDSACASA-N 2 1 236.319 0.884 20 0 BCADMP Cc1cc(NC[C@H]2CSCC[NH2+]2)nc(C)[nH+]1 ZINC000641687315 411653340 /nfs/dbraw/zinc/65/33/40/411653340.db2.gz NLOHVZWCAZYLKE-JTQLQIEISA-N 2 1 238.360 1.210 20 0 BCADMP NC(=O)c1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663424892 411655579 /nfs/dbraw/zinc/65/55/79/411655579.db2.gz JASWNMDVWXUTHW-VIFPVBQESA-N 2 1 246.314 0.251 20 0 BCADMP NC(=O)c1c[nH+]ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000663424892 411655584 /nfs/dbraw/zinc/65/55/84/411655584.db2.gz JASWNMDVWXUTHW-VIFPVBQESA-N 2 1 246.314 0.251 20 0 BCADMP C(C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C[NH2+]C1CC1 ZINC000663496661 411669716 /nfs/dbraw/zinc/66/97/16/411669716.db2.gz HPBHCGXWEXSSSZ-ZYHUDNBSSA-N 3 1 209.337 0.328 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000663494283 411673413 /nfs/dbraw/zinc/67/34/13/411673413.db2.gz NHQLUCASYGAOOO-SYQHCUMBSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000663494283 411673417 /nfs/dbraw/zinc/67/34/17/411673417.db2.gz NHQLUCASYGAOOO-SYQHCUMBSA-N 2 1 237.391 0.916 20 0 BCADMP C([N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493115 411673776 /nfs/dbraw/zinc/67/37/76/411673776.db2.gz FPHIGKSZWJENJS-RQJABVFESA-N 3 1 235.375 0.527 20 0 BCADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498775 411681209 /nfs/dbraw/zinc/68/12/09/411681209.db2.gz UBJDWSQOHDFXQA-UTUOFQBUSA-N 3 1 209.337 0.328 20 0 BCADMP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663500224 411682941 /nfs/dbraw/zinc/68/29/41/411682941.db2.gz YZACKIRKRRFBEF-YNEHKIRRSA-N 3 1 235.375 0.860 20 0 BCADMP CC[N@H+]1CC[C@H](N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000663512048 411692330 /nfs/dbraw/zinc/69/23/30/411692330.db2.gz DWCPPEGRLUPPKY-TUAOUCFPSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@@H]1C[C@H](C[N@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512206 411695837 /nfs/dbraw/zinc/69/58/37/411695837.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@@H]1C[C@H](CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512206 411695840 /nfs/dbraw/zinc/69/58/40/411695840.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 2 1 239.363 0.049 20 0 BCADMP C[NH+](C)CC1CN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000663951668 411788336 /nfs/dbraw/zinc/78/83/36/411788336.db2.gz QVQAUBAPDOTVDT-UHFFFAOYSA-N 2 1 231.303 0.956 20 0 BCADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1COCCO1 ZINC000661613267 411816657 /nfs/dbraw/zinc/81/66/57/411816657.db2.gz XOSYPUFKLFLKSX-LBPRGKRZSA-N 2 1 239.319 0.539 20 0 BCADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1COCCO1 ZINC000661613267 411816660 /nfs/dbraw/zinc/81/66/60/411816660.db2.gz XOSYPUFKLFLKSX-LBPRGKRZSA-N 2 1 239.319 0.539 20 0 BCADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COCCO1 ZINC000661610075 411816996 /nfs/dbraw/zinc/81/69/96/411816996.db2.gz DLJKLOHHTACTMZ-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COCCO1 ZINC000661610075 411817001 /nfs/dbraw/zinc/81/70/01/411817001.db2.gz DLJKLOHHTACTMZ-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1COCCO1 ZINC000661610075 411817004 /nfs/dbraw/zinc/81/70/04/411817004.db2.gz DLJKLOHHTACTMZ-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1COCCO1 ZINC000661610075 411817008 /nfs/dbraw/zinc/81/70/08/411817008.db2.gz DLJKLOHHTACTMZ-CHWSQXEVSA-N 2 1 242.363 0.818 20 0 BCADMP C[C@@H]([NH3+])CNc1cc(NCC2CC2)[nH+]cn1 ZINC000643036129 411820700 /nfs/dbraw/zinc/82/07/00/411820700.db2.gz MYJLOPPZQPJKNV-MRVPVSSYSA-N 2 1 221.308 1.058 20 0 BCADMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H](C)[NH3+] ZINC000394487735 411829409 /nfs/dbraw/zinc/82/94/09/411829409.db2.gz IPNDATGBKQGDNV-JGVFFNPUSA-N 2 1 209.297 0.690 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857779 /nfs/dbraw/zinc/85/77/79/411857779.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857781 /nfs/dbraw/zinc/85/77/81/411857781.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 2 1 224.348 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857782 /nfs/dbraw/zinc/85/77/82/411857782.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 2 1 224.348 0.927 20 0 BCADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647551710 411905883 /nfs/dbraw/zinc/90/58/83/411905883.db2.gz DYWWJDMDPPSSEX-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N)nc1 ZINC000647508958 411911345 /nfs/dbraw/zinc/91/13/45/411911345.db2.gz BVUMAJGZZXJTAX-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000631838991 411929325 /nfs/dbraw/zinc/92/93/25/411929325.db2.gz YAUNRGUTNJJPHI-GXSJLCMTSA-N 2 1 220.320 0.690 20 0 BCADMP C[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647496296 411930178 /nfs/dbraw/zinc/93/01/78/411930178.db2.gz FAACIIMNDNIRGH-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647496296 411930183 /nfs/dbraw/zinc/93/01/83/411930183.db2.gz FAACIIMNDNIRGH-ONGXEEELSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647536719 411932586 /nfs/dbraw/zinc/93/25/86/411932586.db2.gz ZRYWHCMFLDMAAH-GFCCVEGCSA-N 2 1 220.320 0.835 20 0 BCADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647536719 411932590 /nfs/dbraw/zinc/93/25/90/411932590.db2.gz ZRYWHCMFLDMAAH-GFCCVEGCSA-N 2 1 220.320 0.835 20 0 BCADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767802 411877999 /nfs/dbraw/zinc/87/79/99/411877999.db2.gz RINXHIPZLDOBFS-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767802 411878003 /nfs/dbraw/zinc/87/80/03/411878003.db2.gz RINXHIPZLDOBFS-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767802 411878007 /nfs/dbraw/zinc/87/80/07/411878007.db2.gz RINXHIPZLDOBFS-IJLUTSLNSA-N 2 1 230.352 0.144 20 0 BCADMP CC[C@@H]([NH3+])c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641069242 411878124 /nfs/dbraw/zinc/87/81/24/411878124.db2.gz ZZXBPEWLGNCVKD-SECBINFHSA-N 2 1 232.291 0.713 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767804 411878528 /nfs/dbraw/zinc/87/85/28/411878528.db2.gz RINXHIPZLDOBFS-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767804 411878530 /nfs/dbraw/zinc/87/85/30/411878530.db2.gz RINXHIPZLDOBFS-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767804 411878532 /nfs/dbraw/zinc/87/85/32/411878532.db2.gz RINXHIPZLDOBFS-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N)nc1 ZINC000647546738 411878578 /nfs/dbraw/zinc/87/85/78/411878578.db2.gz ZFSLKLBWMKQTNB-SNVBAGLBSA-N 2 1 208.309 0.737 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647509899 411882720 /nfs/dbraw/zinc/88/27/20/411882720.db2.gz PFAKLEOMFZKNBQ-MWLCHTKSSA-N 2 1 220.320 0.833 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(N)s2)C1 ZINC000381346549 411883283 /nfs/dbraw/zinc/88/32/83/411883283.db2.gz ZDTGUNNQWOUDDW-SFYZADRCSA-N 2 1 226.349 0.894 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152191 412008613 /nfs/dbraw/zinc/00/86/13/412008613.db2.gz QQPPZHGNQQITJY-DGCLKSJQSA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152191 412008616 /nfs/dbraw/zinc/00/86/16/412008616.db2.gz QQPPZHGNQQITJY-DGCLKSJQSA-N 2 1 242.363 0.552 20 0 BCADMP OCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157026 412011280 /nfs/dbraw/zinc/01/12/80/412011280.db2.gz NWVFVAVOGMHNPZ-CYBMUJFWSA-N 2 1 242.363 0.290 20 0 BCADMP OCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157026 412011284 /nfs/dbraw/zinc/01/12/84/412011284.db2.gz NWVFVAVOGMHNPZ-CYBMUJFWSA-N 2 1 242.363 0.290 20 0 BCADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033225 411949419 /nfs/dbraw/zinc/94/94/19/411949419.db2.gz IXKLZTGDZRJDFO-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033225 411949425 /nfs/dbraw/zinc/94/94/25/411949425.db2.gz IXKLZTGDZRJDFO-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033225 411949431 /nfs/dbraw/zinc/94/94/31/411949431.db2.gz IXKLZTGDZRJDFO-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033225 411949437 /nfs/dbraw/zinc/94/94/37/411949437.db2.gz IXKLZTGDZRJDFO-UPJWGTAASA-N 2 1 242.363 0.267 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000662237354 412034738 /nfs/dbraw/zinc/03/47/38/412034738.db2.gz IRUBEDBJPYGXBO-RYUDHWBXSA-N 2 1 230.352 0.579 20 0 BCADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1CC=CC1 ZINC000662238772 412035714 /nfs/dbraw/zinc/03/57/14/412035714.db2.gz VYQKWOBWGQTBET-UHFFFAOYSA-N 2 1 237.347 0.316 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ncn1 ZINC000662244423 412039531 /nfs/dbraw/zinc/03/95/31/412039531.db2.gz QHGPPFRDGLRPEZ-SNVBAGLBSA-N 2 1 206.293 0.566 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ncn1 ZINC000662244423 412039534 /nfs/dbraw/zinc/03/95/34/412039534.db2.gz QHGPPFRDGLRPEZ-SNVBAGLBSA-N 2 1 206.293 0.566 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662244642 412041125 /nfs/dbraw/zinc/04/11/25/412041125.db2.gz FADJDAZFYJQDRW-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662244642 412041128 /nfs/dbraw/zinc/04/11/28/412041128.db2.gz FADJDAZFYJQDRW-GHMZBOCLSA-N 2 1 225.336 0.149 20 0 BCADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)OC ZINC000662245077 412041270 /nfs/dbraw/zinc/04/12/70/412041270.db2.gz MYPDJRRCWGGQLT-SRVKXCTJSA-N 2 1 230.352 0.707 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662246819 412043276 /nfs/dbraw/zinc/04/32/76/412043276.db2.gz SGNLQJUUPGTLEL-DTWKUNHWSA-N 2 1 220.263 0.691 20 0 BCADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249708 412046583 /nfs/dbraw/zinc/04/65/83/412046583.db2.gz YHVVGQLVYFWPAE-VXGBXAGGSA-N 2 1 240.347 0.618 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249933 412047207 /nfs/dbraw/zinc/04/72/07/412047207.db2.gz VNEOHXBERNPMSO-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251051 412048987 /nfs/dbraw/zinc/04/89/87/412048987.db2.gz WXBDFRPZQYBNES-LLVKDONJSA-N 2 1 210.321 0.992 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254624 412049243 /nfs/dbraw/zinc/04/92/43/412049243.db2.gz QVVOCDWDHYXCID-GHMZBOCLSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254352 412049272 /nfs/dbraw/zinc/04/92/72/412049272.db2.gz HOCGWMVMCKKYEP-GHMZBOCLSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251900 412049814 /nfs/dbraw/zinc/04/98/14/412049814.db2.gz GMYSHVYSBBGNHE-LLVKDONJSA-N 2 1 210.321 0.849 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257004 412050721 /nfs/dbraw/zinc/05/07/21/412050721.db2.gz LIWAQYUNHKWAJY-MNOVXSKESA-N 2 1 242.388 0.945 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CNCCO3)C[C@H]21 ZINC000662267519 412060181 /nfs/dbraw/zinc/06/01/81/412060181.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 2 1 239.363 0.034 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267519 412060183 /nfs/dbraw/zinc/06/01/83/412060183.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 2 1 239.363 0.034 20 0 BCADMP C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255089 412051631 /nfs/dbraw/zinc/05/16/31/412051631.db2.gz OGBBCQBRIRIMII-WDEREUQCSA-N 2 1 210.321 0.992 20 0 BCADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259004 412054735 /nfs/dbraw/zinc/05/47/35/412054735.db2.gz NYEPJBJXRJYCOA-NWDGAFQWSA-N 2 1 240.347 0.618 20 0 BCADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000308613497 171044062 /nfs/dbraw/zinc/04/40/62/171044062.db2.gz RFRCYJGFUDRCBD-VWYCJHECSA-N 2 1 200.326 0.687 20 0 BCADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000308613475 171058682 /nfs/dbraw/zinc/05/86/82/171058682.db2.gz RFRCYJGFUDRCBD-GMTAPVOTSA-N 2 1 200.326 0.687 20 0 BCADMP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ncn1 ZINC000662272430 412063601 /nfs/dbraw/zinc/06/36/01/412063601.db2.gz MSDOFWYFOWKELZ-LBPRGKRZSA-N 2 1 220.320 0.956 20 0 BCADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ncn1 ZINC000662272430 412063604 /nfs/dbraw/zinc/06/36/04/412063604.db2.gz MSDOFWYFOWKELZ-LBPRGKRZSA-N 2 1 220.320 0.956 20 0 BCADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000662278652 412071734 /nfs/dbraw/zinc/07/17/34/412071734.db2.gz ZYUKLVUNZWOBAI-RKDXNWHRSA-N 2 1 224.295 0.919 20 0 BCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336618593 171149790 /nfs/dbraw/zinc/14/97/90/171149790.db2.gz VEKXBUNUZVIPAG-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP C[N@@H+](CCCC1CCC1)C[C@H](O)C[NH3+] ZINC000662277778 412069216 /nfs/dbraw/zinc/06/92/16/412069216.db2.gz RWCUONHFQRXSHX-LLVKDONJSA-N 2 1 200.326 0.818 20 0 BCADMP COC[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)OC ZINC000662277673 412069552 /nfs/dbraw/zinc/06/95/52/412069552.db2.gz RSQPNGJDFJYSCK-WHOHXGKFSA-N 2 1 230.352 0.624 20 0 BCADMP COC[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)OC ZINC000662277672 412070004 /nfs/dbraw/zinc/07/00/04/412070004.db2.gz RSQPNGJDFJYSCK-NOOOWODRSA-N 2 1 230.352 0.624 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)[C@@H]1CC[NH3+] ZINC000662286627 412077506 /nfs/dbraw/zinc/07/75/06/412077506.db2.gz SMBWFADGKKPOLA-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286627 412077509 /nfs/dbraw/zinc/07/75/09/412077509.db2.gz SMBWFADGKKPOLA-FRRDWIJNSA-N 2 1 241.379 0.424 20 0 BCADMP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000356873019 171223797 /nfs/dbraw/zinc/22/37/97/171223797.db2.gz JZCGHJOQKREARC-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000356873019 171223803 /nfs/dbraw/zinc/22/38/03/171223803.db2.gz JZCGHJOQKREARC-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000352777699 171225776 /nfs/dbraw/zinc/22/57/76/171225776.db2.gz CJIBLTLEKYNYSN-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000352777699 171225778 /nfs/dbraw/zinc/22/57/78/171225778.db2.gz CJIBLTLEKYNYSN-QJPTWQEYSA-N 2 1 241.379 0.878 20 0 BCADMP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251249968 171242936 /nfs/dbraw/zinc/24/29/36/171242936.db2.gz VMHLYPMSNLJYHU-IVZWLZJFSA-N 2 1 213.325 0.310 20 0 BCADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)OC ZINC000662283077 412074915 /nfs/dbraw/zinc/07/49/15/412074915.db2.gz KJJLTYBDXCKJIM-NDBYEHHHSA-N 2 1 244.379 0.953 20 0 BCADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1CCO ZINC000662298691 412084991 /nfs/dbraw/zinc/08/49/91/412084991.db2.gz FHCRKTZYYLJUPY-NSHDSACASA-N 2 1 216.325 0.199 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249033 171324755 /nfs/dbraw/zinc/32/47/55/171324755.db2.gz GVLGYSGMQHHFCM-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249033 171324758 /nfs/dbraw/zinc/32/47/58/171324758.db2.gz GVLGYSGMQHHFCM-VHSXEESVSA-N 2 1 213.325 0.182 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225777 171330763 /nfs/dbraw/zinc/33/07/63/171330763.db2.gz KXURTFVAKGBCAT-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224225777 171330765 /nfs/dbraw/zinc/33/07/65/171330765.db2.gz KXURTFVAKGBCAT-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)[C@H]1CC[NH3+] ZINC000662286832 412078327 /nfs/dbraw/zinc/07/83/27/412078327.db2.gz SMBWFADGKKPOLA-UPJWGTAASA-N 2 1 241.379 0.424 20 0 BCADMP C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286832 412078332 /nfs/dbraw/zinc/07/83/32/412078332.db2.gz SMBWFADGKKPOLA-UPJWGTAASA-N 2 1 241.379 0.424 20 0 BCADMP CNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294545 412082498 /nfs/dbraw/zinc/08/24/98/412082498.db2.gz QRPNPGIUJCMVIC-GFCCVEGCSA-N 2 1 239.363 0.444 20 0 BCADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503490 171395351 /nfs/dbraw/zinc/39/53/51/171395351.db2.gz SRCSQMGRXBSMRJ-TUAOUCFPSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000662388592 412139475 /nfs/dbraw/zinc/13/94/75/412139475.db2.gz ROKIGTWSPPFYOI-GFCCVEGCSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662302591 412088598 /nfs/dbraw/zinc/08/85/98/412088598.db2.gz NBKMHGSKTINPLF-UPJWGTAASA-N 2 1 224.348 0.954 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1=CCCOC1 ZINC000662306561 412090509 /nfs/dbraw/zinc/09/05/09/412090509.db2.gz RSRHMXUVGNVELJ-GFCCVEGCSA-N 2 1 228.336 0.235 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1=CCCOC1 ZINC000662306561 412090514 /nfs/dbraw/zinc/09/05/14/412090514.db2.gz RSRHMXUVGNVELJ-GFCCVEGCSA-N 2 1 228.336 0.235 20 0 BCADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662311484 412091965 /nfs/dbraw/zinc/09/19/65/412091965.db2.gz SSNQIYHEVOJCFI-WOPDTQHZSA-N 2 1 210.321 0.564 20 0 BCADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307730 412092438 /nfs/dbraw/zinc/09/24/38/412092438.db2.gz YJXANWIVQABUJX-QWHCGFSZSA-N 2 1 242.363 0.723 20 0 BCADMP CN1CC[N@@H+](CCC2CC[NH2+]CC2)CCC1=O ZINC000662312558 412094762 /nfs/dbraw/zinc/09/47/62/412094762.db2.gz IGVQEVZNLZGPAR-UHFFFAOYSA-N 2 1 239.363 0.540 20 0 BCADMP C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662315949 412095351 /nfs/dbraw/zinc/09/53/51/412095351.db2.gz RAOURYCXLRVINU-VXGBXAGGSA-N 2 1 209.337 0.233 20 0 BCADMP C(C[N@H+]1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662315948 412096981 /nfs/dbraw/zinc/09/69/81/412096981.db2.gz RAOURYCXLRVINU-RYUDHWBXSA-N 2 1 209.337 0.233 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314700 412097064 /nfs/dbraw/zinc/09/70/64/412097064.db2.gz AXTOXIAIBVVBOU-SDDRHHMPSA-N 2 1 210.321 0.564 20 0 BCADMP C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317287 412097636 /nfs/dbraw/zinc/09/76/36/412097636.db2.gz OGCPUSWFOQVCHP-AGIUHOORSA-N 2 1 224.348 0.954 20 0 BCADMP c1cnc2c(n1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662318367 412097793 /nfs/dbraw/zinc/09/77/93/412097793.db2.gz ZGEOUZXCSRNNNE-NSHDSACASA-N 2 1 232.331 0.834 20 0 BCADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCO)CCO1 ZINC000662318526 412098434 /nfs/dbraw/zinc/09/84/34/412098434.db2.gz AYLOEGDMQQKNGK-LBPRGKRZSA-N 2 1 230.352 0.411 20 0 BCADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCO)CCO1 ZINC000662319542 412098644 /nfs/dbraw/zinc/09/86/44/412098644.db2.gz JXEYFRGMIDZJKU-LLVKDONJSA-N 2 1 216.325 0.021 20 0 BCADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCO)CCO1 ZINC000662319542 412098648 /nfs/dbraw/zinc/09/86/48/412098648.db2.gz JXEYFRGMIDZJKU-LLVKDONJSA-N 2 1 216.325 0.021 20 0 BCADMP C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317290 412099067 /nfs/dbraw/zinc/09/90/67/412099067.db2.gz OGCPUSWFOQVCHP-JHJVBQTASA-N 2 1 224.348 0.954 20 0 BCADMP [NH3+][C@@H]1CN(CCC[NH+]2CCOCC2)CC[C@H]1F ZINC000662324312 412101978 /nfs/dbraw/zinc/10/19/78/412101978.db2.gz UYMBBGJKZPCSCV-VXGBXAGGSA-N 2 1 245.342 0.080 20 0 BCADMP N[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662324455 412102350 /nfs/dbraw/zinc/10/23/50/412102350.db2.gz VWUWHUVOLXJXPY-VXGBXAGGSA-N 2 1 229.343 0.747 20 0 BCADMP [NH3+][C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662324455 412102353 /nfs/dbraw/zinc/10/23/53/412102353.db2.gz VWUWHUVOLXJXPY-VXGBXAGGSA-N 2 1 229.343 0.747 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000662439341 412175246 /nfs/dbraw/zinc/17/52/46/412175246.db2.gz KPZWEYMWVWLPKU-WDEREUQCSA-N 2 1 229.368 0.831 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000662442110 412177071 /nfs/dbraw/zinc/17/70/71/412177071.db2.gz QJPLFGZMECNPAR-KOLCDFICSA-N 2 1 227.352 0.583 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000662474230 412188330 /nfs/dbraw/zinc/18/83/30/412188330.db2.gz VUPQQLQWZMNQFA-GARJFASQSA-N 2 1 227.352 0.393 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000662483222 412190462 /nfs/dbraw/zinc/19/04/62/412190462.db2.gz SSHHFOJVJKUOAI-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277655 412215061 /nfs/dbraw/zinc/21/50/61/412215061.db2.gz HNDOBKNJDGTHRN-ZYGVAYEYSA-N 2 1 209.337 0.278 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000662498165 412196813 /nfs/dbraw/zinc/19/68/13/412196813.db2.gz PBBITJRCSBZPCK-DLOVCJGASA-N 2 1 239.363 0.583 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662525269 412204296 /nfs/dbraw/zinc/20/42/96/412204296.db2.gz GEHWKMWYUWVOIC-JQWIXIFHSA-N 2 1 239.363 0.585 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000662526201 412204976 /nfs/dbraw/zinc/20/49/76/412204976.db2.gz VBJXAFRSTIAQKK-QWRGUYRKSA-N 2 1 227.352 0.442 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662529568 412205009 /nfs/dbraw/zinc/20/50/09/412205009.db2.gz ZVCFELULZJWWQO-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000662539006 412208401 /nfs/dbraw/zinc/20/84/01/412208401.db2.gz XVYMQOBWFHLERI-LLVKDONJSA-N 2 1 227.352 0.537 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000662539917 412209818 /nfs/dbraw/zinc/20/98/18/412209818.db2.gz OAMDPZQLNAEEHS-FOGDFJRCSA-N 2 1 239.363 0.726 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000662545083 412211389 /nfs/dbraw/zinc/21/13/89/412211389.db2.gz BKNKOINJMCYZND-LLVKDONJSA-N 2 1 225.336 0.363 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000662545083 412211392 /nfs/dbraw/zinc/21/13/92/412211392.db2.gz BKNKOINJMCYZND-LLVKDONJSA-N 2 1 225.336 0.363 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000662401580 412145489 /nfs/dbraw/zinc/14/54/89/412145489.db2.gz WZQCIMNSCJMVLO-ZJUUUORDSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000662401578 412145816 /nfs/dbraw/zinc/14/58/16/412145816.db2.gz WZQCIMNSCJMVLO-UWVGGRQHSA-N 2 1 213.325 0.195 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662410560 412154743 /nfs/dbraw/zinc/15/47/43/412154743.db2.gz SHVIIBQBQLUXIX-MWLCHTKSSA-N 2 1 225.336 0.337 20 0 BCADMP CCC[N@H+]1CC[C@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274093 412215837 /nfs/dbraw/zinc/21/58/37/412215837.db2.gz JLPWNPAWDHDUST-PWSUYJOCSA-N 2 1 211.353 0.668 20 0 BCADMP CC[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C(=O)NC ZINC000331965498 171547085 /nfs/dbraw/zinc/54/70/85/171547085.db2.gz KUBIMOZKFONUBS-VWYCJHECSA-N 2 1 227.352 0.761 20 0 BCADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234829 412173579 /nfs/dbraw/zinc/17/35/79/412173579.db2.gz KOASPBMROSAGHJ-WUHRBBMRSA-N 2 1 242.363 0.768 20 0 BCADMP COC[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C)OC ZINC000665235316 412173812 /nfs/dbraw/zinc/17/38/12/412173812.db2.gz UEGXJWWYCAAKHZ-GRYCIOLGSA-N 2 1 230.352 0.626 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)C(C)C ZINC000662437802 412174607 /nfs/dbraw/zinc/17/46/07/412174607.db2.gz VCCMDQSRXLIPSL-SNVBAGLBSA-N 2 1 215.341 0.441 20 0 BCADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662650611 412256974 /nfs/dbraw/zinc/25/69/74/412256974.db2.gz CGZNOSZWOMMGIL-UHFFFAOYSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000662678923 412268466 /nfs/dbraw/zinc/26/84/66/412268466.db2.gz KLQDMBQYHVVVDI-TUAOUCFPSA-N 2 1 241.379 0.973 20 0 BCADMP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000662686512 412270524 /nfs/dbraw/zinc/27/05/24/412270524.db2.gz GOUAWTHSDBZGHT-BJDJZHNGSA-N 2 1 237.347 0.467 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000662685634 412270809 /nfs/dbraw/zinc/27/08/09/412270809.db2.gz WOMLBBABENRCAI-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[C@H]1[C@@H](Nc2ccnc(N(C)C)n2)CCC[N@H+]1C ZINC000343612178 412275547 /nfs/dbraw/zinc/27/55/47/412275547.db2.gz VLNIHSGIPOZMBQ-QWRGUYRKSA-N 2 1 249.362 1.437 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662709282 412278557 /nfs/dbraw/zinc/27/85/57/412278557.db2.gz ALMKUIVXDYHKEO-LLVKDONJSA-N 2 1 241.379 0.831 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000662719794 412283066 /nfs/dbraw/zinc/28/30/66/412283066.db2.gz KUGAUBRAMPJLTF-NSHDSACASA-N 2 1 237.347 0.468 20 0 BCADMP CN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662719551 412283477 /nfs/dbraw/zinc/28/34/77/412283477.db2.gz FMBZNKQEEJLQHT-LLVKDONJSA-N 2 1 237.347 0.563 20 0 BCADMP CN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662719552 412283523 /nfs/dbraw/zinc/28/35/23/412283523.db2.gz FMBZNKQEEJLQHT-NSHDSACASA-N 2 1 237.347 0.563 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662731469 412286717 /nfs/dbraw/zinc/28/67/17/412286717.db2.gz DFWHCWPBYBRLAT-GWOFURMSSA-N 2 1 225.336 0.323 20 0 BCADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278097 412220385 /nfs/dbraw/zinc/22/03/85/412220385.db2.gz VBRWLSIUJSDWDK-DKNRTOFZSA-N 2 1 235.375 0.955 20 0 BCADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278096 412222018 /nfs/dbraw/zinc/22/20/18/412222018.db2.gz VBRWLSIUJSDWDK-CEUNDQEZSA-N 2 1 235.375 0.955 20 0 BCADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000665278832 412222732 /nfs/dbraw/zinc/22/27/32/412222732.db2.gz PPELUXJCJMOISK-ZYGVAYEYSA-N 2 1 210.321 0.896 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H](C)O1 ZINC000665280064 412224163 /nfs/dbraw/zinc/22/41/63/412224163.db2.gz SDRBDRGUNSBZME-HBUVQDDESA-N 2 1 210.321 0.894 20 0 BCADMP C[C@H](Cc1cnccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279963 412225497 /nfs/dbraw/zinc/22/54/97/412225497.db2.gz QGWAHLVCUZMVFQ-XSRFYTQQSA-N 2 1 232.331 0.749 20 0 BCADMP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621532 412231773 /nfs/dbraw/zinc/23/17/73/412231773.db2.gz IXEHLSLVCRWSIQ-IUCAKERBSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589733 412232310 /nfs/dbraw/zinc/23/23/10/412232310.db2.gz CZCSHBHGPQIXIV-VHSXEESVSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589732 412232593 /nfs/dbraw/zinc/23/25/93/412232593.db2.gz CZCSHBHGPQIXIV-UWVGGRQHSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662592711 412233627 /nfs/dbraw/zinc/23/36/27/412233627.db2.gz JQKZWFAJLQUVSV-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP CNC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665295227 412242804 /nfs/dbraw/zinc/24/28/04/412242804.db2.gz ALBVPIUYSWQXBA-WDEREUQCSA-N 2 1 213.369 0.914 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619284 412244209 /nfs/dbraw/zinc/24/42/09/412244209.db2.gz JSFKSIVVIFKWBC-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621920 412244275 /nfs/dbraw/zinc/24/42/75/412244275.db2.gz LVLJUBNWAHXFCN-WDEREUQCSA-N 2 1 241.379 0.831 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621720 412244488 /nfs/dbraw/zinc/24/44/88/412244488.db2.gz JIEYFDSVCKGGBE-NXEZZACHSA-N 2 1 227.352 0.713 20 0 BCADMP C[NH2+]C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000665296769 412244785 /nfs/dbraw/zinc/24/47/85/412244785.db2.gz XOFVKOIWYWJPSH-SCVCMEIPSA-N 2 1 211.353 0.667 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621918 412244936 /nfs/dbraw/zinc/24/49/36/412244936.db2.gz LVLJUBNWAHXFCN-MNOVXSKESA-N 2 1 241.379 0.831 20 0 BCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804639 412306380 /nfs/dbraw/zinc/30/63/80/412306380.db2.gz GEJVKOHQBGSQEI-GHMZBOCLSA-N 2 1 237.347 0.420 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)CC1([NH3+])CC1 ZINC000662827898 412313753 /nfs/dbraw/zinc/31/37/53/412313753.db2.gz PQXHLLQACHXZBA-UHFFFAOYSA-N 2 1 241.379 0.962 20 0 BCADMP [NH3+]CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839335 412316226 /nfs/dbraw/zinc/31/62/26/412316226.db2.gz PVTORPIFEXRCSL-WDEREUQCSA-N 2 1 225.336 0.468 20 0 BCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840081 412318872 /nfs/dbraw/zinc/31/88/72/412318872.db2.gz XNKDHWHFMXNZTH-QJPTWQEYSA-N 2 1 237.347 0.481 20 0 BCADMP C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000132939476 412367099 /nfs/dbraw/zinc/36/70/99/412367099.db2.gz ZSVOJCIHJKFJLB-NXEZZACHSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000132939880 412367153 /nfs/dbraw/zinc/36/71/53/412367153.db2.gz ZSVOJCIHJKFJLB-ZJUUUORDSA-N 2 1 227.352 0.713 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662911874 412343852 /nfs/dbraw/zinc/34/38/52/412343852.db2.gz WSKGXKWLRBOQEV-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132906062 412350870 /nfs/dbraw/zinc/35/08/70/412350870.db2.gz SEPUZIDVGRGBDW-GARJFASQSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000132921795 412358449 /nfs/dbraw/zinc/35/84/49/412358449.db2.gz RZJIMMLDNPRCAC-KXNHARMFSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000132921582 412358729 /nfs/dbraw/zinc/35/87/29/412358729.db2.gz RZJIMMLDNPRCAC-QCNOEVLYSA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000662747287 412289728 /nfs/dbraw/zinc/28/97/28/412289728.db2.gz YZYWPXZIPVMLGK-DDHJBXDOSA-N 2 1 239.363 0.665 20 0 BCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000662744061 412289803 /nfs/dbraw/zinc/28/98/03/412289803.db2.gz CCYXSIKFCYSACT-SDDRHHMPSA-N 2 1 241.379 0.783 20 0 BCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794182 412304863 /nfs/dbraw/zinc/30/48/63/412304863.db2.gz PKZLTKSSINAYPB-QWRGUYRKSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012784 412370970 /nfs/dbraw/zinc/37/09/70/412370970.db2.gz ZFRTVHFAXJNUKO-LOWVWBTDSA-N 2 1 239.363 0.727 20 0 BCADMP Cn1ncc2c1CCC[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000663188754 412391937 /nfs/dbraw/zinc/39/19/37/412391937.db2.gz VNKIVXSCLHIMBW-OCCSQVGLSA-N 2 1 246.358 0.778 20 0 BCADMP Cn1ncc2c1CCC[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000663188754 412391939 /nfs/dbraw/zinc/39/19/39/412391939.db2.gz VNKIVXSCLHIMBW-OCCSQVGLSA-N 2 1 246.358 0.778 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@H+](C)C1CC1 ZINC000290754360 172027480 /nfs/dbraw/zinc/02/74/80/172027480.db2.gz JCROFPVILCQCLF-LLVKDONJSA-N 2 1 223.320 0.901 20 0 BCADMP CCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290754360 172027483 /nfs/dbraw/zinc/02/74/83/172027483.db2.gz JCROFPVILCQCLF-LLVKDONJSA-N 2 1 223.320 0.901 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000037898078 172357819 /nfs/dbraw/zinc/35/78/19/172357819.db2.gz GFOUKXNHRFRBHT-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000037898078 172357821 /nfs/dbraw/zinc/35/78/21/172357821.db2.gz GFOUKXNHRFRBHT-JTQLQIEISA-N 2 1 213.325 0.278 20 0 BCADMP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309317057 172359122 /nfs/dbraw/zinc/35/91/22/172359122.db2.gz ZCXKHYRKULAYEH-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309317057 172359123 /nfs/dbraw/zinc/35/91/23/172359123.db2.gz ZCXKHYRKULAYEH-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250335612 172386007 /nfs/dbraw/zinc/38/60/07/172386007.db2.gz IKSSAOMYAHZBSI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000250335612 172386010 /nfs/dbraw/zinc/38/60/10/172386010.db2.gz IKSSAOMYAHZBSI-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000020217825 173012435 /nfs/dbraw/zinc/01/24/35/173012435.db2.gz DPIMURVXZCNMNZ-LLVKDONJSA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000305660810 173027820 /nfs/dbraw/zinc/02/78/20/173027820.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000305660810 173027822 /nfs/dbraw/zinc/02/78/22/173027822.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000305660810 173027825 /nfs/dbraw/zinc/02/78/25/173027825.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 2 1 212.337 0.927 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284251 173030937 /nfs/dbraw/zinc/03/09/37/173030937.db2.gz AAMSQRCWCWTIRO-CYBMUJFWSA-N 2 1 247.342 0.969 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226394550 173031587 /nfs/dbraw/zinc/03/15/87/173031587.db2.gz JIVOUGRSDHQHBF-NXEZZACHSA-N 2 1 227.352 0.570 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224045968 173032255 /nfs/dbraw/zinc/03/22/55/173032255.db2.gz VXOXKBZQPKPTBB-LLVKDONJSA-N 2 1 239.363 0.858 20 0 BCADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937271 173032262 /nfs/dbraw/zinc/03/22/62/173032262.db2.gz LKXKQPDLCOLJFF-SNVBAGLBSA-N 2 1 240.351 0.261 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052457 /nfs/dbraw/zinc/05/24/57/173052457.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052459 /nfs/dbraw/zinc/05/24/59/173052459.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052461 /nfs/dbraw/zinc/05/24/61/173052461.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000361567322 173052539 /nfs/dbraw/zinc/05/25/39/173052539.db2.gz ULOFPQZHDOMSEW-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361567322 173052542 /nfs/dbraw/zinc/05/25/42/173052542.db2.gz ULOFPQZHDOMSEW-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361567322 173052544 /nfs/dbraw/zinc/05/25/44/173052544.db2.gz ULOFPQZHDOMSEW-AAEUAGOBSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000337403969 173054400 /nfs/dbraw/zinc/05/44/00/173054400.db2.gz LAOQHVIQLXPYBS-NSHDSACASA-N 2 1 240.351 0.086 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054708 /nfs/dbraw/zinc/05/47/08/173054708.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054712 /nfs/dbraw/zinc/05/47/12/173054712.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 2 1 224.348 0.641 20 0 BCADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054715 /nfs/dbraw/zinc/05/47/15/173054715.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 2 1 224.348 0.641 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394154 173054750 /nfs/dbraw/zinc/05/47/50/173054750.db2.gz VTXMPHHIWUZMGO-NSHDSACASA-N 2 1 239.363 0.716 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040457775 173068720 /nfs/dbraw/zinc/06/87/20/173068720.db2.gz RQYBKJFYSBSZQU-SECBINFHSA-N 2 1 213.325 0.134 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000070251778 173069067 /nfs/dbraw/zinc/06/90/67/173069067.db2.gz SBVHJGCDZAWZND-NSHDSACASA-N 2 1 237.347 0.150 20 0 BCADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055085921 173069287 /nfs/dbraw/zinc/06/92/87/173069287.db2.gz LTIWWGADTVOTEV-GHMZBOCLSA-N 2 1 225.336 0.278 20 0 BCADMP C[NH+]1CCN(C(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000019722334 173072018 /nfs/dbraw/zinc/07/20/18/173072018.db2.gz QBKXMYWPNSUTAV-UHFFFAOYSA-N 2 1 247.342 0.575 20 0 BCADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000334837887 173096832 /nfs/dbraw/zinc/09/68/32/173096832.db2.gz OHYHRYFJSHHSHS-MNOVXSKESA-N 2 1 229.393 0.375 20 0 BCADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000336615057 173110925 /nfs/dbraw/zinc/11/09/25/173110925.db2.gz HTTBKSRNHJGQBJ-NEPJUHHUSA-N 2 1 239.363 0.491 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308932552 173137483 /nfs/dbraw/zinc/13/74/83/173137483.db2.gz JXFIIESVSAOLKL-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308932552 173137485 /nfs/dbraw/zinc/13/74/85/173137485.db2.gz JXFIIESVSAOLKL-CMPLNLGQSA-N 2 1 212.337 0.831 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)C)C1 ZINC000336656758 173138627 /nfs/dbraw/zinc/13/86/27/173138627.db2.gz OWLLXIYZOJPQBV-LLVKDONJSA-N 2 1 200.326 0.689 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)C)C1 ZINC000336656758 173138625 /nfs/dbraw/zinc/13/86/25/173138625.db2.gz OWLLXIYZOJPQBV-LLVKDONJSA-N 2 1 200.326 0.689 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336762523 173139709 /nfs/dbraw/zinc/13/97/09/173139709.db2.gz LKWGEENRJHVATG-CHWSQXEVSA-N 2 1 224.348 0.999 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336762523 173139711 /nfs/dbraw/zinc/13/97/11/173139711.db2.gz LKWGEENRJHVATG-CHWSQXEVSA-N 2 1 224.348 0.999 20 0 BCADMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000336358746 173141385 /nfs/dbraw/zinc/14/13/85/173141385.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336358746 173141386 /nfs/dbraw/zinc/14/13/86/173141386.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000336358746 173141389 /nfs/dbraw/zinc/14/13/89/173141389.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000336615058 173141961 /nfs/dbraw/zinc/14/19/61/173141961.db2.gz HTTBKSRNHJGQBJ-NWDGAFQWSA-N 2 1 239.363 0.491 20 0 BCADMP CN1CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516937 173150558 /nfs/dbraw/zinc/15/05/58/173150558.db2.gz MPOLCCKJMGFVHJ-NSHDSACASA-N 2 1 237.347 0.293 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCSC2)C1 ZINC000307416562 173164556 /nfs/dbraw/zinc/16/45/56/173164556.db2.gz KMUKPDPVDAWBLY-UWVGGRQHSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCSC2)C1 ZINC000307416562 173164558 /nfs/dbraw/zinc/16/45/58/173164558.db2.gz KMUKPDPVDAWBLY-UWVGGRQHSA-N 2 1 216.350 0.148 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC[C@H]2CCOC2)C1 ZINC000336756425 173164709 /nfs/dbraw/zinc/16/47/09/173164709.db2.gz HANIANQPSFWIRM-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]CC[C@H]2CCOC2)C1 ZINC000336756425 173164712 /nfs/dbraw/zinc/16/47/12/173164712.db2.gz HANIANQPSFWIRM-RYUDHWBXSA-N 2 1 228.336 0.069 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000309527005 173165464 /nfs/dbraw/zinc/16/54/64/173165464.db2.gz CTLZRUOEWFJSCF-LBPRGKRZSA-N 2 1 221.304 0.238 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000309527005 173165466 /nfs/dbraw/zinc/16/54/66/173165466.db2.gz CTLZRUOEWFJSCF-LBPRGKRZSA-N 2 1 221.304 0.238 20 0 BCADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccsc2)C1 ZINC000336771073 173165519 /nfs/dbraw/zinc/16/55/19/173165519.db2.gz WHQNBZVSSBRNOQ-NSHDSACASA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccsc2)C1 ZINC000336771073 173165521 /nfs/dbraw/zinc/16/55/21/173165521.db2.gz WHQNBZVSSBRNOQ-NSHDSACASA-N 2 1 226.345 0.904 20 0 BCADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3OCCO3)C2)C1 ZINC000366535293 173167840 /nfs/dbraw/zinc/16/78/40/173167840.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 2 1 240.347 0.777 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3OCCO3)C2)C1 ZINC000366535293 173167842 /nfs/dbraw/zinc/16/78/42/173167842.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 2 1 240.347 0.777 20 0 BCADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC3OCCO3)C2)C1 ZINC000366535293 173167845 /nfs/dbraw/zinc/16/78/45/173167845.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 2 1 240.347 0.777 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597082 173197654 /nfs/dbraw/zinc/19/76/54/173197654.db2.gz KXQIJELNNDEKMN-YVECIDJPSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597082 173197656 /nfs/dbraw/zinc/19/76/56/173197656.db2.gz KXQIJELNNDEKMN-YVECIDJPSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597082 173197657 /nfs/dbraw/zinc/19/76/57/173197657.db2.gz KXQIJELNNDEKMN-YVECIDJPSA-N 2 1 224.348 0.783 20 0 BCADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597095 173199331 /nfs/dbraw/zinc/19/93/31/173199331.db2.gz KXQIJELNNDEKMN-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597095 173199333 /nfs/dbraw/zinc/19/93/33/173199333.db2.gz KXQIJELNNDEKMN-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597095 173199336 /nfs/dbraw/zinc/19/93/36/173199336.db2.gz KXQIJELNNDEKMN-QNWHQSFQSA-N 2 1 224.348 0.783 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123619458 173248726 /nfs/dbraw/zinc/24/87/26/173248726.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123619458 173248728 /nfs/dbraw/zinc/24/87/28/173248728.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123619458 173248730 /nfs/dbraw/zinc/24/87/30/173248730.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123619458 173248733 /nfs/dbraw/zinc/24/87/33/173248733.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123619458 173248734 /nfs/dbraw/zinc/24/87/34/173248734.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000336759467 173281960 /nfs/dbraw/zinc/28/19/60/173281960.db2.gz JAOBQZNRAWMQRJ-NSHDSACASA-N 2 1 229.368 0.831 20 0 BCADMP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000323043250 173283286 /nfs/dbraw/zinc/28/32/86/173283286.db2.gz OWTHEYWZHQTWOQ-SDDRHHMPSA-N 2 1 239.363 0.727 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000234359090 173293961 /nfs/dbraw/zinc/29/39/61/173293961.db2.gz CBZLEJXISZYXCO-RYUDHWBXSA-N 2 1 241.379 0.690 20 0 BCADMP CNC(=O)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000042394238 173298864 /nfs/dbraw/zinc/29/88/64/173298864.db2.gz JYPOVVDNVJMRTK-LBPRGKRZSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493596 173305877 /nfs/dbraw/zinc/30/58/77/173305877.db2.gz LGGGKUOWSRGQOQ-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493596 173305878 /nfs/dbraw/zinc/30/58/78/173305878.db2.gz LGGGKUOWSRGQOQ-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493581 173307508 /nfs/dbraw/zinc/30/75/08/173307508.db2.gz NTYSISXMQXHZIY-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493581 173307509 /nfs/dbraw/zinc/30/75/09/173307509.db2.gz NTYSISXMQXHZIY-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000373837656 173326160 /nfs/dbraw/zinc/32/61/60/173326160.db2.gz STBZQEAEGRXLEC-NSHDSACASA-N 2 1 239.363 0.681 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771174 173328165 /nfs/dbraw/zinc/32/81/65/173328165.db2.gz GCUYCUIBEUDIMM-QJPTWQEYSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771175 173328217 /nfs/dbraw/zinc/32/82/17/173328217.db2.gz GCUYCUIBEUDIMM-SDDRHHMPSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH2+]CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000237220699 173329186 /nfs/dbraw/zinc/32/91/86/173329186.db2.gz VZHLJEDDSJIZHV-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000237220673 173329357 /nfs/dbraw/zinc/32/93/57/173329357.db2.gz VZHLJEDDSJIZHV-LBPRGKRZSA-N 2 1 241.379 0.977 20 0 BCADMP C[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237266606 173331509 /nfs/dbraw/zinc/33/15/09/173331509.db2.gz BGCXGKDJLZAQJE-GHMZBOCLSA-N 2 1 227.352 0.442 20 0 BCADMP C[NH2+]CCC(=O)NCCNc1cccc(C)[nH+]1 ZINC000357247777 173340157 /nfs/dbraw/zinc/34/01/57/173340157.db2.gz PJKFYPBYXWRZHS-UHFFFAOYSA-N 2 1 236.319 0.528 20 0 BCADMP C[NH2+]CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357240790 173341744 /nfs/dbraw/zinc/34/17/44/173341744.db2.gz KGAGLZQTBHDASP-GXSJLCMTSA-N 2 1 225.336 0.195 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000336715768 173347017 /nfs/dbraw/zinc/34/70/17/173347017.db2.gz VRICVRFFIVPGIJ-LLVKDONJSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CCC[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000336715768 173347018 /nfs/dbraw/zinc/34/70/18/173347018.db2.gz VRICVRFFIVPGIJ-LLVKDONJSA-N 2 1 213.325 0.196 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCSC[C@H]1CCO ZINC000308894083 173347274 /nfs/dbraw/zinc/34/72/74/173347274.db2.gz YXBRLVMMGZQKLZ-SNVBAGLBSA-N 2 1 218.366 0.396 20 0 BCADMP C[NH2+]CCC[N@H+]1CCSC[C@H]1CCO ZINC000308894083 173347276 /nfs/dbraw/zinc/34/72/76/173347276.db2.gz YXBRLVMMGZQKLZ-SNVBAGLBSA-N 2 1 218.366 0.396 20 0 BCADMP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000226390144 173362362 /nfs/dbraw/zinc/36/23/62/173362362.db2.gz JUVDFRQYYUWEKO-SNVBAGLBSA-N 2 1 245.392 0.007 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000250740510 173367932 /nfs/dbraw/zinc/36/79/32/173367932.db2.gz MQDFOZCJPQZQOS-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000053033997 173370739 /nfs/dbraw/zinc/37/07/39/173370739.db2.gz OIHOJSJBYBJDDH-RYUDHWBXSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000250740515 173379241 /nfs/dbraw/zinc/37/92/41/173379241.db2.gz MQDFOZCJPQZQOS-VXGBXAGGSA-N 2 1 212.337 0.954 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCCOC)C1 ZINC000053033883 173382110 /nfs/dbraw/zinc/38/21/10/173382110.db2.gz SJXJGOCHLFVLBT-LLVKDONJSA-N 2 1 216.325 0.191 20 0 BCADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000358344974 174000438 /nfs/dbraw/zinc/00/04/38/174000438.db2.gz MILDJYYSVVFEIG-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000237189943 174215985 /nfs/dbraw/zinc/21/59/85/174215985.db2.gz QTCLOGKYBBXKNB-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP COCCC[N@H+](CCO)CCn1cc[nH+]c1C ZINC000275390066 174224830 /nfs/dbraw/zinc/22/48/30/174224830.db2.gz CJNWWAZBVYIZBR-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP COCCC[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000275390066 174224832 /nfs/dbraw/zinc/22/48/32/174224832.db2.gz CJNWWAZBVYIZBR-UHFFFAOYSA-N 2 1 241.335 0.522 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000061380452 174278009 /nfs/dbraw/zinc/27/80/09/174278009.db2.gz GKPHMRRMXPDXCW-SNVBAGLBSA-N 2 1 245.367 0.054 20 0 BCADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000061380470 174278087 /nfs/dbraw/zinc/27/80/87/174278087.db2.gz YCAMHBSBYNEQIM-NSHDSACASA-N 2 1 245.367 0.054 20 0 BCADMP COCCN(CCO)CC[C@H]1CCC[N@H+]1C ZINC000305745552 174293672 /nfs/dbraw/zinc/29/36/72/174293672.db2.gz VHWQSLMGHPRWGL-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305745552 174293674 /nfs/dbraw/zinc/29/36/74/174293674.db2.gz VHWQSLMGHPRWGL-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305745552 174293676 /nfs/dbraw/zinc/29/36/76/174293676.db2.gz VHWQSLMGHPRWGL-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000305745552 174293677 /nfs/dbraw/zinc/29/36/77/174293677.db2.gz VHWQSLMGHPRWGL-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000305745552 174293679 /nfs/dbraw/zinc/29/36/79/174293679.db2.gz VHWQSLMGHPRWGL-GFCCVEGCSA-N 2 1 230.352 0.411 20 0 BCADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)O)CC1 ZINC000341266251 174305271 /nfs/dbraw/zinc/30/52/71/174305271.db2.gz BJYSGXKPMRAXGK-NWDGAFQWSA-N 2 1 244.379 0.846 20 0 BCADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC000336782442 174305297 /nfs/dbraw/zinc/30/52/97/174305297.db2.gz XQOSCPNOSAJBBX-LLVKDONJSA-N 2 1 230.352 0.722 20 0 BCADMP COCCOCC[NH+]1CCC([NH3+])CC1 ZINC000044725545 174353632 /nfs/dbraw/zinc/35/36/32/174353632.db2.gz CRRAEWBEHMXCAB-UHFFFAOYSA-N 2 1 202.298 0.073 20 0 BCADMP COCCOCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122324280 174354419 /nfs/dbraw/zinc/35/44/19/174354419.db2.gz VAPYMSDQXMMPJF-WDEREUQCSA-N 2 1 216.325 0.319 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000044725565 174355081 /nfs/dbraw/zinc/35/50/81/174355081.db2.gz AIJDHQCDPHCIMZ-MNOVXSKESA-N 2 1 216.325 0.319 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906923 176102912 /nfs/dbraw/zinc/10/29/12/176102912.db2.gz YNZAJBZKKVJUKA-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906923 176102914 /nfs/dbraw/zinc/10/29/14/176102914.db2.gz YNZAJBZKKVJUKA-IJLUTSLNSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H](CNC(=O)CC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401442 176103325 /nfs/dbraw/zinc/10/33/25/176103325.db2.gz XGTARNGSBHWAEV-GHMZBOCLSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237401501 176103692 /nfs/dbraw/zinc/10/36/92/176103692.db2.gz GOELIICOPAXDHI-GMTAPVOTSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336685044 176108496 /nfs/dbraw/zinc/10/84/96/176108496.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336685044 176108497 /nfs/dbraw/zinc/10/84/97/176108497.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336685044 176108498 /nfs/dbraw/zinc/10/84/98/176108498.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336685044 176108499 /nfs/dbraw/zinc/10/84/99/176108499.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 2 1 212.337 0.926 20 0 BCADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC[NH2+]C1CC1 ZINC000042438670 176222010 /nfs/dbraw/zinc/22/20/10/176222010.db2.gz IIOYNAWEUYFHOI-MNOVXSKESA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@H]1[NH3+] ZINC000333948725 176251139 /nfs/dbraw/zinc/25/11/39/176251139.db2.gz WOYYIXBTNDEQIE-GMTAPVOTSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCCCC1 ZINC000226402715 176265918 /nfs/dbraw/zinc/26/59/18/176265918.db2.gz JBUFRXFMYNCFHI-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCCCC1 ZINC000226402715 176265920 /nfs/dbraw/zinc/26/59/20/176265920.db2.gz JBUFRXFMYNCFHI-LLVKDONJSA-N 2 1 239.363 0.811 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1(C[NH3+])CCCC1 ZINC000226401666 176266203 /nfs/dbraw/zinc/26/62/03/176266203.db2.gz BAMUGUKOIGTBMT-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH3+])CCCC1 ZINC000226401666 176266204 /nfs/dbraw/zinc/26/62/04/176266204.db2.gz BAMUGUKOIGTBMT-LLVKDONJSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCCOCC1 ZINC000361283403 176266432 /nfs/dbraw/zinc/26/64/32/176266432.db2.gz YOSFEIPGGMPSNC-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCCOCC1 ZINC000361283403 176266433 /nfs/dbraw/zinc/26/64/33/176266433.db2.gz YOSFEIPGGMPSNC-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP C[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCCOCC1 ZINC000361283403 176266435 /nfs/dbraw/zinc/26/64/35/176266435.db2.gz YOSFEIPGGMPSNC-CYBMUJFWSA-N 2 1 241.379 0.345 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227425637 176266495 /nfs/dbraw/zinc/26/64/95/176266495.db2.gz WLGHSQBGXLXNMT-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227425637 176266497 /nfs/dbraw/zinc/26/64/97/176266497.db2.gz WLGHSQBGXLXNMT-YPMHNXCESA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000335568620 176266852 /nfs/dbraw/zinc/26/68/52/176266852.db2.gz RESPYFVFTUMQAW-HTQZYQBOSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000335568620 176266853 /nfs/dbraw/zinc/26/68/53/176266853.db2.gz RESPYFVFTUMQAW-HTQZYQBOSA-N 2 1 235.278 0.131 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341889405 176268790 /nfs/dbraw/zinc/26/87/90/176268790.db2.gz RPKSFMHKWCQLCW-YPMHNXCESA-N 2 1 234.347 0.949 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309792229 176269248 /nfs/dbraw/zinc/26/92/48/176269248.db2.gz PMYSRILVIDTMFS-UTUOFQBUSA-N 2 1 228.336 0.332 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000309492430 176269451 /nfs/dbraw/zinc/26/94/51/176269451.db2.gz SODAOBVFSROPQD-VWYCJHECSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000309492430 176269453 /nfs/dbraw/zinc/26/94/53/176269453.db2.gz SODAOBVFSROPQD-VWYCJHECSA-N 2 1 225.336 0.195 20 0 BCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000336757934 176270320 /nfs/dbraw/zinc/27/03/20/176270320.db2.gz ZIEMXAUMDDANJW-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000336757934 176270322 /nfs/dbraw/zinc/27/03/22/176270322.db2.gz ZIEMXAUMDDANJW-OUAUKWLOSA-N 2 1 225.336 0.147 20 0 BCADMP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCCC1 ZINC000668297493 487633270 /nfs/dbraw/zinc/63/32/70/487633270.db2.gz SWRRUVBOOPIZKS-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000362763385 176272529 /nfs/dbraw/zinc/27/25/29/176272529.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000362763385 176272530 /nfs/dbraw/zinc/27/25/30/176272530.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000362763385 176272532 /nfs/dbraw/zinc/27/25/32/176272532.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375783 176275507 /nfs/dbraw/zinc/27/55/07/176275507.db2.gz MFKXOAYZFLRGRN-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000362375783 176275508 /nfs/dbraw/zinc/27/55/08/176275508.db2.gz MFKXOAYZFLRGRN-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000362375783 176275509 /nfs/dbraw/zinc/27/55/09/176275509.db2.gz MFKXOAYZFLRGRN-VXGBXAGGSA-N 2 1 239.363 0.348 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211606 176276087 /nfs/dbraw/zinc/27/60/87/176276087.db2.gz OQRQOELTDFZCQL-ZYHUDNBSSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000362763382 176276316 /nfs/dbraw/zinc/27/63/16/176276316.db2.gz RLIKKLGFQAFBPZ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000362763382 176276317 /nfs/dbraw/zinc/27/63/17/176276317.db2.gz RLIKKLGFQAFBPZ-GRYCIOLGSA-N 2 1 239.363 0.395 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000335605726 176277083 /nfs/dbraw/zinc/27/70/83/176277083.db2.gz GBXZXONWRDBNPX-ZYHUDNBSSA-N 2 1 211.353 0.620 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000358081094 176278790 /nfs/dbraw/zinc/27/87/90/176278790.db2.gz KNTBZNXPSNHCEC-UTUOFQBUSA-N 2 1 237.351 0.596 20 0 BCADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000310184919 176280443 /nfs/dbraw/zinc/28/04/43/176280443.db2.gz YFKZHERDDMVSAV-WISYIIOYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000246546504 176323263 /nfs/dbraw/zinc/32/32/63/176323263.db2.gz QRVWWBVCEYQBPX-UTUOFQBUSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310176995 176344376 /nfs/dbraw/zinc/34/43/76/176344376.db2.gz VVHUUGRBLBTSPV-RAIGVLPGSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310176995 176344378 /nfs/dbraw/zinc/34/43/78/176344378.db2.gz VVHUUGRBLBTSPV-RAIGVLPGSA-N 2 1 242.363 0.456 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336749040 176353522 /nfs/dbraw/zinc/35/35/22/176353522.db2.gz TXRMRKDJFFLAEZ-USWWRNFRSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336749040 176353524 /nfs/dbraw/zinc/35/35/24/176353524.db2.gz TXRMRKDJFFLAEZ-USWWRNFRSA-N 2 1 244.404 0.783 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCO)CCN1C ZINC000123477154 176370403 /nfs/dbraw/zinc/37/04/03/176370403.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCCO)CC[N@@H+]1C ZINC000123477154 176370404 /nfs/dbraw/zinc/37/04/04/176370404.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@@H]([NH+](C)CCCO)CC[N@H+]1C ZINC000123477154 176370406 /nfs/dbraw/zinc/37/04/06/176370406.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@@H]([N@H+](C)CCCO)CC[NH+]1C ZINC000123477154 176370407 /nfs/dbraw/zinc/37/04/07/176370407.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCO)CC[NH+]1C ZINC000123477154 176370408 /nfs/dbraw/zinc/37/04/08/176370408.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 1 200.326 0.783 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1CC1 ZINC000122311391 176368003 /nfs/dbraw/zinc/36/80/03/176368003.db2.gz HEMZREOWDOYXAC-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1CC1 ZINC000122311391 176368005 /nfs/dbraw/zinc/36/80/05/176368005.db2.gz HEMZREOWDOYXAC-KOLCDFICSA-N 2 1 225.336 0.182 20 0 BCADMP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000375912753 176655824 /nfs/dbraw/zinc/65/58/24/176655824.db2.gz QYUFKTBRTSSEFQ-IJLUTSLNSA-N 2 1 239.363 0.666 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[NH3+] ZINC000237496762 177074684 /nfs/dbraw/zinc/07/46/84/177074684.db2.gz GNHRANFWBIRYRK-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[NH3+] ZINC000019267243 177075425 /nfs/dbraw/zinc/07/54/25/177075425.db2.gz CZKVWBXURVWVOT-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000335653177 177159701 /nfs/dbraw/zinc/15/97/01/177159701.db2.gz WCIRDCCNTNBJFF-RYUDHWBXSA-N 2 1 211.353 0.622 20 0 BCADMP C[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775664 177161864 /nfs/dbraw/zinc/16/18/64/177161864.db2.gz HUYRFCGXIDPIQF-AAEUAGOBSA-N 2 1 236.363 0.879 20 0 BCADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000043497697 177181958 /nfs/dbraw/zinc/18/19/58/177181958.db2.gz ZEIRHQIIQLMJJI-CMPLNLGQSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000104141642 177214712 /nfs/dbraw/zinc/21/47/12/177214712.db2.gz IEWUHNLAKPLPMR-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000104141642 177214713 /nfs/dbraw/zinc/21/47/13/177214713.db2.gz IEWUHNLAKPLPMR-NSHDSACASA-N 2 1 241.379 0.927 20 0 BCADMP C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000331438160 177220592 /nfs/dbraw/zinc/22/05/92/177220592.db2.gz GXIUZIMBLAXANQ-GXSJLCMTSA-N 2 1 240.351 0.069 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454406 177237322 /nfs/dbraw/zinc/23/73/22/177237322.db2.gz MVUQLVSUUUOUAV-WDEREUQCSA-N 2 1 241.379 0.641 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000352780014 177239057 /nfs/dbraw/zinc/23/90/57/177239057.db2.gz NOKOBPCFXUYQQI-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000352780014 177239055 /nfs/dbraw/zinc/23/90/55/177239055.db2.gz NOKOBPCFXUYQQI-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000352780014 177239059 /nfs/dbraw/zinc/23/90/59/177239059.db2.gz NOKOBPCFXUYQQI-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000352780014 177239062 /nfs/dbraw/zinc/23/90/62/177239062.db2.gz NOKOBPCFXUYQQI-GRYCIOLGSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482588 177250470 /nfs/dbraw/zinc/25/04/70/177250470.db2.gz RPMDZAIXHXCYIB-NEPJUHHUSA-N 2 1 227.352 0.001 20 0 BCADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459698 177280180 /nfs/dbraw/zinc/28/01/80/177280180.db2.gz SSHLECNLALBECW-TUAOUCFPSA-N 2 1 237.347 0.434 20 0 BCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722658 177325151 /nfs/dbraw/zinc/32/51/51/177325151.db2.gz DXISTHWBVWGFHC-JQWIXIFHSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000237539643 177328724 /nfs/dbraw/zinc/32/87/24/177328724.db2.gz DHBLBGZYCREHLC-DTWKUNHWSA-N 2 1 225.336 0.465 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CC2)C[N@H+]1C1CC1 ZINC000237529628 177328854 /nfs/dbraw/zinc/32/88/54/177328854.db2.gz WHZSDBVROJKIBV-DTWKUNHWSA-N 2 1 223.320 0.219 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@H+]1C1CC1 ZINC000237533229 177329734 /nfs/dbraw/zinc/32/97/34/177329734.db2.gz FKNVQCUKBXYISZ-HBNTYKKESA-N 2 1 237.347 0.337 20 0 BCADMP C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357240657 177329836 /nfs/dbraw/zinc/32/98/36/177329836.db2.gz JTDHONXKKJOJJS-KXUCPTDWSA-N 2 1 225.336 0.323 20 0 BCADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000132935974 177329906 /nfs/dbraw/zinc/32/99/06/177329906.db2.gz OKLPOLJOSDOFNG-SRVKXCTJSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCCCC1 ZINC000131540213 177361282 /nfs/dbraw/zinc/36/12/82/177361282.db2.gz HBGKGIGWKWKCTE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCCCC1 ZINC000131540213 177361284 /nfs/dbraw/zinc/36/12/84/177361284.db2.gz HBGKGIGWKWKCTE-NWDGAFQWSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131744779 177361621 /nfs/dbraw/zinc/36/16/21/177361621.db2.gz YEHVNTFGBDBODS-CMPLNLGQSA-N 2 1 247.342 0.955 20 0 BCADMP C[C@H]1C[C@H](NC(=O)C2([NH3+])CC2)CC[N@H+]1C ZINC000132918166 177367063 /nfs/dbraw/zinc/36/70/63/177367063.db2.gz TYCFHPUPRDKBDP-DTWKUNHWSA-N 2 1 211.309 0.077 20 0 BCADMP C[C@H]1C[C@H](NC(=O)N(C)CC[NH3+])C[N@H+]1C1CC1 ZINC000331747659 177367203 /nfs/dbraw/zinc/36/72/03/177367203.db2.gz DVTVZQKHCJHVFT-UWVGGRQHSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000377565323 177395812 /nfs/dbraw/zinc/39/58/12/177395812.db2.gz RYJLOFNCVMQKGF-IJLUTSLNSA-N 2 1 239.363 0.442 20 0 BCADMP C[NH+]1CCC([NH2+]C[C@@H](O)COCC2CC2)CC1 ZINC000037887345 487640504 /nfs/dbraw/zinc/64/05/04/487640504.db2.gz MMWZDADDHWRMML-CYBMUJFWSA-N 2 1 242.363 0.458 20 0 BCADMP C[NH2+]CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322375100 487643274 /nfs/dbraw/zinc/64/32/74/487643274.db2.gz FSBTWDLEKANTDW-FGWVZKOKSA-N 2 1 225.336 0.337 20 0 BCADMP CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCC[N@@H+](C)C1 ZINC000493341148 226189988 /nfs/dbraw/zinc/18/99/88/226189988.db2.gz UVJHTUPRUJUCHX-FOQNGQEVSA-N 2 1 248.330 0.976 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C\C[NH+](C)C ZINC000493172125 226145150 /nfs/dbraw/zinc/14/51/50/226145150.db2.gz PGNQEPCXNJJDIQ-XYLWRLHESA-N 2 1 239.363 0.657 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000493897159 226258783 /nfs/dbraw/zinc/25/87/83/226258783.db2.gz LZGLAXVLZSQYIF-SRVKXCTJSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493900429 226258892 /nfs/dbraw/zinc/25/88/92/226258892.db2.gz LYTXZHCGHVXMCU-FYLLDIAZSA-N 2 1 239.363 0.569 20 0 BCADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000400483735 226344583 /nfs/dbraw/zinc/34/45/83/226344583.db2.gz CSTRFOWYWHOWTK-SRVKXCTJSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]1 ZINC000400483728 226344726 /nfs/dbraw/zinc/34/47/26/226344726.db2.gz CSTRFOWYWHOWTK-QJPTWQEYSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH2+]1 ZINC000400483732 226344787 /nfs/dbraw/zinc/34/47/87/226344787.db2.gz CSTRFOWYWHOWTK-SDDRHHMPSA-N 2 1 211.353 0.811 20 0 BCADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000400525540 226345548 /nfs/dbraw/zinc/34/55/48/226345548.db2.gz PYVHPKBOPBRCRQ-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP Cc1[nH+]ccn1CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634269 226348160 /nfs/dbraw/zinc/34/81/60/226348160.db2.gz MHKXAYREPSGWMM-JQWIXIFHSA-N 2 1 222.336 0.922 20 0 BCADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000680827497 487650094 /nfs/dbraw/zinc/65/00/94/487650094.db2.gz ZOYDCSCNYXXSMD-SKDRFNHKSA-N 2 1 238.335 0.435 20 0 BCADMP CN(CCCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000313872405 487652097 /nfs/dbraw/zinc/65/20/97/487652097.db2.gz ABAKAALESDWQKR-LBPRGKRZSA-N 2 1 222.336 0.646 20 0 BCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588059 487653900 /nfs/dbraw/zinc/65/39/00/487653900.db2.gz BUSCXLNTDSWUSB-MNOVXSKESA-N 2 1 244.383 0.753 20 0 BCADMP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000226084629 487655918 /nfs/dbraw/zinc/65/59/18/487655918.db2.gz DWKWFORBWOYJLU-SRVKXCTJSA-N 2 1 239.363 0.585 20 0 BCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383660626 487658575 /nfs/dbraw/zinc/65/85/75/487658575.db2.gz JGGDXPAZWIFSSW-AAEUAGOBSA-N 2 1 234.347 0.981 20 0 BCADMP Cn1nccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383660626 487658580 /nfs/dbraw/zinc/65/85/80/487658580.db2.gz JGGDXPAZWIFSSW-AAEUAGOBSA-N 2 1 234.347 0.981 20 0 BCADMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC)[C@H](C)C1 ZINC000383659661 487658672 /nfs/dbraw/zinc/65/86/72/487658672.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000383659661 487658679 /nfs/dbraw/zinc/65/86/79/487658679.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000383659661 487658684 /nfs/dbraw/zinc/65/86/84/487658684.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 2 1 243.395 0.325 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593997 487663553 /nfs/dbraw/zinc/66/35/53/487663553.db2.gz QJRIWXTZCYNMNQ-QWRGUYRKSA-N 2 1 241.379 0.831 20 0 BCADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595260 487665828 /nfs/dbraw/zinc/66/58/28/487665828.db2.gz ZFTHYVAMAPJXOR-WDEREUQCSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)c1cc(NC2C[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000643006070 487668096 /nfs/dbraw/zinc/66/80/96/487668096.db2.gz YOXNCHYJKJYKKS-UHFFFAOYSA-N 2 1 235.335 1.050 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000383732788 487669095 /nfs/dbraw/zinc/66/90/95/487669095.db2.gz HGOUQXSECQHFLA-LLVKDONJSA-N 2 1 246.395 0.827 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672518 /nfs/dbraw/zinc/67/25/18/487672518.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672522 /nfs/dbraw/zinc/67/25/22/487672522.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672525 /nfs/dbraw/zinc/67/25/25/487672525.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672530 /nfs/dbraw/zinc/67/25/30/487672530.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 2 1 244.379 0.390 20 0 BCADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000675147479 487672537 /nfs/dbraw/zinc/67/25/37/487672537.db2.gz SKSUMVOXBFYTAB-JFGNBEQYSA-N 2 1 239.363 0.535 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)CCC[NH+](C)CC[C@H](C)O ZINC000173570345 229355269 /nfs/dbraw/zinc/35/52/69/229355269.db2.gz FMPLZUMPHKORBX-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@@H](O)CC[NH+](C)CCC[N@H+](C)CC[C@H](C)O ZINC000173570345 229355273 /nfs/dbraw/zinc/35/52/73/229355273.db2.gz FMPLZUMPHKORBX-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@@H](O)CC[NH+](C)CCC[N@@H+](C)CC[C@H](C)O ZINC000173570345 229355277 /nfs/dbraw/zinc/35/52/77/229355277.db2.gz FMPLZUMPHKORBX-BETUJISGSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@@H](O)CC[NH+](C)CCC[N@H+](C)CC[C@@H](C)O ZINC000173570358 229355472 /nfs/dbraw/zinc/35/54/72/229355472.db2.gz FMPLZUMPHKORBX-CHWSQXEVSA-N 2 1 246.395 0.782 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000082645534 487703479 /nfs/dbraw/zinc/70/34/79/487703479.db2.gz LZDDNILQISKDIQ-DCAQKATOSA-N 2 1 227.352 0.522 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000669403072 487705649 /nfs/dbraw/zinc/70/56/49/487705649.db2.gz HPMRYAWBMJUJGO-MNOVXSKESA-N 2 1 242.367 0.378 20 0 BCADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000669403309 487706826 /nfs/dbraw/zinc/70/68/26/487706826.db2.gz UPOFZCNKTCEBGZ-AXFHLTTASA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000082648645 487706801 /nfs/dbraw/zinc/70/68/01/487706801.db2.gz RZUIDTGTQHONDC-NEPJUHHUSA-N 2 1 211.353 0.479 20 0 BCADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000082648644 487707273 /nfs/dbraw/zinc/70/72/73/487707273.db2.gz RZUIDTGTQHONDC-NWDGAFQWSA-N 2 1 211.353 0.479 20 0 BCADMP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[N@@H+](C)C1CC1 ZINC000226399550 487734956 /nfs/dbraw/zinc/73/49/56/487734956.db2.gz ZHBITDNEGQYLFR-JTQLQIEISA-N 2 1 239.363 0.857 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581049 487735325 /nfs/dbraw/zinc/73/53/25/487735325.db2.gz FZSMXPNFUIHNHQ-MNOVXSKESA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000250667787 487738475 /nfs/dbraw/zinc/73/84/75/487738475.db2.gz SMTAXUYYPZLQFP-ZMLRMANQSA-N 2 1 237.347 0.467 20 0 BCADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251027426 487746583 /nfs/dbraw/zinc/74/65/83/487746583.db2.gz GWPAPZQOZQQWGC-GARJFASQSA-N 2 1 212.337 0.830 20 0 BCADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226438343 487746982 /nfs/dbraw/zinc/74/69/82/487746982.db2.gz VMPRFNNERROOSI-LLVKDONJSA-N 2 1 212.337 0.833 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@@H]1C ZINC000384894028 487754198 /nfs/dbraw/zinc/75/41/98/487754198.db2.gz LQDKPSIXIBWUHG-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@@H]1C ZINC000384894028 487754203 /nfs/dbraw/zinc/75/42/03/487754203.db2.gz LQDKPSIXIBWUHG-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384894028 487754207 /nfs/dbraw/zinc/75/42/07/487754207.db2.gz LQDKPSIXIBWUHG-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000384894028 487754213 /nfs/dbraw/zinc/75/42/13/487754213.db2.gz LQDKPSIXIBWUHG-AVGNSLFASA-N 2 1 244.379 0.533 20 0 BCADMP CC[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251543153 487766993 /nfs/dbraw/zinc/76/69/93/487766993.db2.gz AUZZKNPSSNWBPA-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP CC[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251543153 487766996 /nfs/dbraw/zinc/76/69/96/487766996.db2.gz AUZZKNPSSNWBPA-ZYHUDNBSSA-N 2 1 222.336 0.979 20 0 BCADMP Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000681390714 487790904 /nfs/dbraw/zinc/79/09/04/487790904.db2.gz OLMUFDYRFMGSNA-YPMHNXCESA-N 2 1 235.331 0.943 20 0 BCADMP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000681390714 487790907 /nfs/dbraw/zinc/79/09/07/487790907.db2.gz OLMUFDYRFMGSNA-YPMHNXCESA-N 2 1 235.331 0.943 20 0 BCADMP C[C@H]([NH3+])CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322407112 487797416 /nfs/dbraw/zinc/79/74/16/487797416.db2.gz XNANXFWVIWPALU-YEJSDXFRSA-N 2 1 239.363 0.855 20 0 BCADMP CC[C@H]1C[N@H+](CC(=O)N(CC)CC)CC[C@H]1[NH3+] ZINC000251837549 487801638 /nfs/dbraw/zinc/80/16/38/487801638.db2.gz QLTUEDSJNNIRNR-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP CC[C@H]1C[N@@H+](CC(=O)N(CC)CC)CC[C@H]1[NH3+] ZINC000251837549 487801641 /nfs/dbraw/zinc/80/16/41/487801641.db2.gz QLTUEDSJNNIRNR-NWDGAFQWSA-N 2 1 241.379 0.914 20 0 BCADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106517 487814813 /nfs/dbraw/zinc/81/48/13/487814813.db2.gz ZHYBRKKYFWNATC-AXFHLTTASA-N 2 1 225.336 0.337 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234404105 487818444 /nfs/dbraw/zinc/81/84/44/487818444.db2.gz PUDUUIKLSKSJSW-QWRGUYRKSA-N 2 1 216.325 0.189 20 0 BCADMP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000414737666 487819809 /nfs/dbraw/zinc/81/98/09/487819809.db2.gz HNYMAEFRDYWAIP-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000414737666 487819818 /nfs/dbraw/zinc/81/98/18/487819818.db2.gz HNYMAEFRDYWAIP-RKDXNWHRSA-N 2 1 240.269 0.970 20 0 BCADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000252730482 322944661 /nfs/dbraw/zinc/94/46/61/322944661.db2.gz LOENIVJQIRRUHO-UMSPYCQHSA-N 2 1 212.337 0.974 20 0 BCADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000252868023 487837017 /nfs/dbraw/zinc/83/70/17/487837017.db2.gz RGDVHDRTEMWEQT-NWDGAFQWSA-N 2 1 212.337 0.953 20 0 BCADMP CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594873979 487852595 /nfs/dbraw/zinc/85/25/95/487852595.db2.gz YIERJSQPLOCCGB-UWVGGRQHSA-N 2 1 211.309 0.030 20 0 BCADMP C[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666689567 487861016 /nfs/dbraw/zinc/86/10/16/487861016.db2.gz HVIOGSGDSQDNIZ-GARJFASQSA-N 2 1 200.326 0.687 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)OC ZINC000234703188 487861661 /nfs/dbraw/zinc/86/16/61/487861661.db2.gz PHBZDRPOYORTHL-GARJFASQSA-N 2 1 216.325 0.317 20 0 BCADMP C[N@H+](C[C@@H](O)CC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000307942725 641199103 /nfs/dbraw/zinc/19/91/03/641199103.db2.gz PZXZMEXDEIGDDU-DTWKUNHWSA-N 2 1 240.269 0.969 20 0 BCADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000307942725 641199109 /nfs/dbraw/zinc/19/91/09/641199109.db2.gz PZXZMEXDEIGDDU-DTWKUNHWSA-N 2 1 240.269 0.969 20 0 BCADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825751 487892100 /nfs/dbraw/zinc/89/21/00/487892100.db2.gz OPKNAKVJRNXKJA-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669451471 487896274 /nfs/dbraw/zinc/89/62/74/487896274.db2.gz KXBMTGNGWLKLOI-GZTOBOFZSA-N 2 1 242.367 0.531 20 0 BCADMP [NH3+]C[C@@H](NC(=O)CC(F)(F)C[NH3+])C1CCCC1 ZINC000653162092 487901643 /nfs/dbraw/zinc/90/16/43/487901643.db2.gz MZMFHYZRXODQBV-SECBINFHSA-N 2 1 249.305 0.604 20 0 BCADMP CNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000682077569 487902003 /nfs/dbraw/zinc/90/20/03/487902003.db2.gz YXSNFBASKCPFOH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000682077569 487902005 /nfs/dbraw/zinc/90/20/05/487902005.db2.gz YXSNFBASKCPFOH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000682077569 487902009 /nfs/dbraw/zinc/90/20/09/487902009.db2.gz YXSNFBASKCPFOH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000682077569 487902012 /nfs/dbraw/zinc/90/20/12/487902012.db2.gz YXSNFBASKCPFOH-NEPJUHHUSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000682077572 487902860 /nfs/dbraw/zinc/90/28/60/487902860.db2.gz YXSNFBASKCPFOH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000682077572 487902863 /nfs/dbraw/zinc/90/28/63/487902863.db2.gz YXSNFBASKCPFOH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000682077572 487902869 /nfs/dbraw/zinc/90/28/69/487902869.db2.gz YXSNFBASKCPFOH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000682077572 487902874 /nfs/dbraw/zinc/90/28/74/487902874.db2.gz YXSNFBASKCPFOH-VXGBXAGGSA-N 2 1 241.379 0.927 20 0 BCADMP CN1CC(C[N@H+](C)Cc2cnc3cnccn23)C1 ZINC000668539735 487905242 /nfs/dbraw/zinc/90/52/42/487905242.db2.gz KGIYZECBXKTMNF-UHFFFAOYSA-N 2 1 245.330 0.723 20 0 BCADMP CN1CC(C[N@@H+](C)Cc2cnc3cnccn23)C1 ZINC000668539735 487905244 /nfs/dbraw/zinc/90/52/44/487905244.db2.gz KGIYZECBXKTMNF-UHFFFAOYSA-N 2 1 245.330 0.723 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746692 487906382 /nfs/dbraw/zinc/90/63/82/487906382.db2.gz JJASWJRYSCMDFX-UTUOFQBUSA-N 2 1 239.363 0.714 20 0 BCADMP CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524040 487920173 /nfs/dbraw/zinc/92/01/73/487920173.db2.gz IFLFSRLSJVVZIM-YEJSDXFRSA-N 2 1 212.337 0.972 20 0 BCADMP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157782391 487921113 /nfs/dbraw/zinc/92/11/13/487921113.db2.gz SODDOZGTULRSPL-GARJFASQSA-N 2 1 225.336 0.337 20 0 BCADMP COCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361400 487931965 /nfs/dbraw/zinc/93/19/65/487931965.db2.gz GNSAYYXQMDCZTH-UPJWGTAASA-N 2 1 242.363 0.994 20 0 BCADMP FC1(F)C[C@@]12CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000652364512 487934035 /nfs/dbraw/zinc/93/40/35/487934035.db2.gz WGLILBUMTNGNQK-LLVKDONJSA-N 2 1 245.317 0.623 20 0 BCADMP CC(C)CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298748 487948855 /nfs/dbraw/zinc/94/88/55/487948855.db2.gz LTKFKXZUYPJRGX-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CN(Cc1ncc[nH]1)c1cc[nH+]cc1C(N)=O ZINC000562353413 323017549 /nfs/dbraw/zinc/01/75/49/323017549.db2.gz FIMWNNAOXDSARR-UHFFFAOYSA-N 2 1 231.259 0.540 20 0 BCADMP C[C@H](NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000562957192 323035165 /nfs/dbraw/zinc/03/51/65/323035165.db2.gz VTIXXRFLUBCHGS-JQWIXIFHSA-N 2 1 211.353 0.716 20 0 BCADMP Cc1[nH+]ccn1CCC[NH+]1CC(C)(C(N)=O)C1 ZINC000569689572 323036970 /nfs/dbraw/zinc/03/69/70/323036970.db2.gz MGJPIBXBXPXHSW-UHFFFAOYSA-N 2 1 236.319 0.389 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569723954 323038745 /nfs/dbraw/zinc/03/87/45/323038745.db2.gz PVTPEJQYBHBZJI-NSHDSACASA-N 2 1 227.352 0.526 20 0 BCADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000569723953 323038803 /nfs/dbraw/zinc/03/88/03/323038803.db2.gz PVTPEJQYBHBZJI-LLVKDONJSA-N 2 1 227.352 0.526 20 0 BCADMP C[NH2+]CCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000569817762 323041766 /nfs/dbraw/zinc/04/17/66/323041766.db2.gz YACXIUPNAGPLIC-QWRGUYRKSA-N 2 1 230.377 0.802 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000570165795 323051642 /nfs/dbraw/zinc/05/16/42/323051642.db2.gz CVBOTGPIEDJAPQ-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP CC[C@H]([NH3+])CNC(=O)N(C)Cc1cnc[nH]1 ZINC000570698335 323067709 /nfs/dbraw/zinc/06/77/09/323067709.db2.gz FNCKRTVSYOEIRG-QMMMGPOBSA-N 2 1 225.296 0.288 20 0 BCADMP C[NH2+][C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000570740065 323069204 /nfs/dbraw/zinc/06/92/04/323069204.db2.gz YKOXRINUVOJXIL-UWVGGRQHSA-N 2 1 238.335 0.552 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000563135157 323094569 /nfs/dbraw/zinc/09/45/69/323094569.db2.gz IELLHICJVMKEMB-WOPDTQHZSA-N 3 1 211.353 0.574 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135571 323094650 /nfs/dbraw/zinc/09/46/50/323094650.db2.gz QREZUACTUNUMRS-IJLUTSLNSA-N 3 1 211.353 0.716 20 0 BCADMP C[N@H+](CCN1CCCC1=O)C[C@H]1CCC[NH2+]C1 ZINC000563137811 323094842 /nfs/dbraw/zinc/09/48/42/323094842.db2.gz YGNFOLDIZPNBSG-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP C[N@@H+](CCN1CCCC1=O)C[C@H]1CCC[NH2+]C1 ZINC000563137811 323094843 /nfs/dbraw/zinc/09/48/43/323094843.db2.gz YGNFOLDIZPNBSG-LBPRGKRZSA-N 2 1 239.363 0.540 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000571058035 323106156 /nfs/dbraw/zinc/10/61/56/323106156.db2.gz KPGKRGGBUKXLOR-RWMBFGLXSA-N 2 1 244.379 0.846 20 0 BCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000563337700 323119070 /nfs/dbraw/zinc/11/90/70/323119070.db2.gz YGNAKVFNNBLBOG-BDAKNGLRSA-N 2 1 249.305 0.604 20 0 BCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC(F)(F)C[NH3+] ZINC000563337702 323119076 /nfs/dbraw/zinc/11/90/76/323119076.db2.gz YGNAKVFNNBLBOG-IUCAKERBSA-N 2 1 249.305 0.604 20 0 BCADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563422114 323124166 /nfs/dbraw/zinc/12/41/66/323124166.db2.gz LDOJZFFPSLIDKS-QJPTWQEYSA-N 3 1 213.369 0.820 20 0 BCADMP C[C@]1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563621959 323132028 /nfs/dbraw/zinc/13/20/28/323132028.db2.gz CBIPRZAJRSBBRG-AGIUHOORSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@]1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563621959 323132029 /nfs/dbraw/zinc/13/20/29/323132029.db2.gz CBIPRZAJRSBBRG-AGIUHOORSA-N 3 1 223.364 0.527 20 0 BCADMP CCOC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000310499953 323132391 /nfs/dbraw/zinc/13/23/91/323132391.db2.gz HQGZBHOSJQTTQH-STQMWFEESA-N 2 1 246.395 0.950 20 0 BCADMP CCOC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000310499953 323132392 /nfs/dbraw/zinc/13/23/92/323132392.db2.gz HQGZBHOSJQTTQH-STQMWFEESA-N 2 1 246.395 0.950 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000310505132 323132585 /nfs/dbraw/zinc/13/25/85/323132585.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000310505132 323132586 /nfs/dbraw/zinc/13/25/86/323132586.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 2 1 243.395 0.323 20 0 BCADMP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000310505132 323132587 /nfs/dbraw/zinc/13/25/87/323132587.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 2 1 243.395 0.323 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310522352 323132854 /nfs/dbraw/zinc/13/28/54/323132854.db2.gz MHLQKEIPNWUHCX-LBPRGKRZSA-N 2 1 244.379 0.704 20 0 BCADMP COCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310522352 323132855 /nfs/dbraw/zinc/13/28/55/323132855.db2.gz MHLQKEIPNWUHCX-LBPRGKRZSA-N 2 1 244.379 0.704 20 0 BCADMP CC(=O)NCC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000571081491 323134988 /nfs/dbraw/zinc/13/49/88/323134988.db2.gz CUWMMQXIIVZWEB-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP CC(=O)NCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000571081491 323134989 /nfs/dbraw/zinc/13/49/89/323134989.db2.gz CUWMMQXIIVZWEB-UHFFFAOYSA-N 2 1 241.379 0.930 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571401022 323143639 /nfs/dbraw/zinc/14/36/39/323143639.db2.gz LYEAYKJHZHAFSZ-SRVKXCTJSA-N 2 1 241.379 0.912 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000571401023 323143645 /nfs/dbraw/zinc/14/36/45/323143645.db2.gz LYEAYKJHZHAFSZ-WOPDTQHZSA-N 2 1 241.379 0.912 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000571573330 323148168 /nfs/dbraw/zinc/14/81/68/323148168.db2.gz ZDAIGEMWWAWZBW-AXFHLTTASA-N 2 1 200.326 0.687 20 0 BCADMP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000571645506 323150758 /nfs/dbraw/zinc/15/07/58/323150758.db2.gz RGKPKEUNBGBSTD-MXWKQRLJSA-N 2 1 237.347 0.324 20 0 BCADMP c1ncn(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000563813230 323178769 /nfs/dbraw/zinc/17/87/69/323178769.db2.gz AGVRNAYILYPUCM-QWHCGFSZSA-N 2 1 249.362 0.742 20 0 BCADMP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000563819594 323179250 /nfs/dbraw/zinc/17/92/50/323179250.db2.gz DTIURWIVCXCHHS-JTQLQIEISA-N 2 1 239.363 0.585 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563897342 323205578 /nfs/dbraw/zinc/20/55/78/323205578.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000563897342 323205579 /nfs/dbraw/zinc/20/55/79/323205579.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CC(C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000563897342 323205580 /nfs/dbraw/zinc/20/55/80/323205580.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP CCn1nncc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000530207782 323209414 /nfs/dbraw/zinc/20/94/14/323209414.db2.gz GCZIMQLMNJKFDS-BDAKNGLRSA-N 2 1 211.313 0.513 20 0 BCADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCOCC1 ZINC000532515936 323272408 /nfs/dbraw/zinc/27/24/08/323272408.db2.gz VAWLQIRGWKPANP-CHWSQXEVSA-N 2 1 244.379 0.704 20 0 BCADMP CC1CC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309124448 323318084 /nfs/dbraw/zinc/31/80/84/323318084.db2.gz VTFVZIVOQQIKMV-RTYFJBAXSA-N 2 1 212.337 0.830 20 0 BCADMP CC1CC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309124448 323318087 /nfs/dbraw/zinc/31/80/87/323318087.db2.gz VTFVZIVOQQIKMV-RTYFJBAXSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H](C)[N@@H+]1C ZINC000563951558 323332862 /nfs/dbraw/zinc/33/28/62/323332862.db2.gz JUGXPHSGRWOCTO-PHIMTYICSA-N 2 1 236.319 0.434 20 0 BCADMP C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H](C)N1C ZINC000563951558 323332865 /nfs/dbraw/zinc/33/28/65/323332865.db2.gz JUGXPHSGRWOCTO-PHIMTYICSA-N 2 1 236.319 0.434 20 0 BCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])C1 ZINC000563968676 323335188 /nfs/dbraw/zinc/33/51/88/323335188.db2.gz LKHGBQXHKZYSGQ-SFYZADRCSA-N 2 1 235.278 0.214 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000309385419 323365178 /nfs/dbraw/zinc/36/51/78/323365178.db2.gz DYRNIHRUCHXDMV-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000309385419 323365173 /nfs/dbraw/zinc/36/51/73/323365173.db2.gz DYRNIHRUCHXDMV-SRVKXCTJSA-N 3 1 211.353 0.655 20 0 BCADMP CCn1nncc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000530211679 324527697 /nfs/dbraw/zinc/52/76/97/324527697.db2.gz PLBRLQBQNSKJRC-JQWIXIFHSA-N 2 1 237.351 0.776 20 0 BCADMP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913248 487965467 /nfs/dbraw/zinc/96/54/67/487965467.db2.gz YOVOPUSCSUIOSH-LLVKDONJSA-N 2 1 239.363 0.729 20 0 BCADMP CC[NH+](CC)CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000130124901 325015823 /nfs/dbraw/zinc/01/58/23/325015823.db2.gz ZMORFSNRJXPSDV-UHFFFAOYSA-N 2 1 241.379 0.929 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000566213584 326014896 /nfs/dbraw/zinc/01/48/96/326014896.db2.gz XAEGRTFUCGPWSR-SNVBAGLBSA-N 2 1 213.325 0.278 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCNC1=O ZINC000566246074 326022701 /nfs/dbraw/zinc/02/27/01/326022701.db2.gz FNAXAZAZLBRHAU-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCNC1=O ZINC000566246074 326022704 /nfs/dbraw/zinc/02/27/04/326022704.db2.gz FNAXAZAZLBRHAU-ZJUUUORDSA-N 2 1 213.325 0.180 20 0 BCADMP CCCC[C@@H](C[NH3+])NC(=O)CC(F)(F)C[NH3+] ZINC000566404179 326040103 /nfs/dbraw/zinc/04/01/03/326040103.db2.gz NLFVAALENBXQFP-QMMMGPOBSA-N 2 1 237.294 0.604 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+](CC)[C@H](C)CO ZINC000566425413 326044389 /nfs/dbraw/zinc/04/43/89/326044389.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)CO ZINC000566425413 326044392 /nfs/dbraw/zinc/04/43/92/326044392.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)CO ZINC000566425413 326044393 /nfs/dbraw/zinc/04/43/93/326044393.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)CO ZINC000566425413 326044394 /nfs/dbraw/zinc/04/43/94/326044394.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)CO ZINC000566425413 326044395 /nfs/dbraw/zinc/04/43/95/326044395.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 1 218.341 0.002 20 0 BCADMP Cc1cc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000566490155 326057554 /nfs/dbraw/zinc/05/75/54/326057554.db2.gz GPCRRRREENXQQB-WDEREUQCSA-N 2 1 246.314 0.138 20 0 BCADMP CC[NH+]1C[C@@H](C)N(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000566570265 326065283 /nfs/dbraw/zinc/06/52/83/326065283.db2.gz GPISUDVFHLTUID-GHMZBOCLSA-N 2 1 227.352 0.489 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000567505066 326206426 /nfs/dbraw/zinc/20/64/26/326206426.db2.gz LFXSQZYDIZCPQQ-MXWKQRLJSA-N 2 1 227.352 0.428 20 0 BCADMP O=C([C@@H]1CCC[NH2+]1)N1CC[NH2+]Cc2ccccc21 ZINC000567669140 326241984 /nfs/dbraw/zinc/24/19/84/326241984.db2.gz OTABJGHDGDFEHL-LBPRGKRZSA-N 2 1 245.326 0.875 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)CC1(C[NH3+])CC1 ZINC000567784079 326258319 /nfs/dbraw/zinc/25/83/19/326258319.db2.gz FCQGYDFUHRBCJV-UHFFFAOYSA-N 2 1 236.319 0.437 20 0 BCADMP C[NH2+]CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000567834619 326266161 /nfs/dbraw/zinc/26/61/61/326266161.db2.gz OIEUGFLLNSZSRR-NSHDSACASA-N 2 1 227.352 0.587 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000157773824 326295345 /nfs/dbraw/zinc/29/53/45/326295345.db2.gz MQWAQSMXWVGPHU-NWDGAFQWSA-N 2 1 241.379 0.927 20 0 BCADMP CC[C@H](C)C[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000568050903 326300206 /nfs/dbraw/zinc/30/02/06/326300206.db2.gz MQIQICZAOQIRCG-WDEREUQCSA-N 2 1 202.342 0.935 20 0 BCADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000568050859 326300794 /nfs/dbraw/zinc/30/07/94/326300794.db2.gz JTCFBRMOEVCEHP-VXGBXAGGSA-N 2 1 214.353 0.935 20 0 BCADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)[NH+](C)C ZINC000158276279 326314689 /nfs/dbraw/zinc/31/46/89/326314689.db2.gz FVUQJBHQWRSMFF-RYUDHWBXSA-N 2 1 241.379 0.785 20 0 BCADMP Cc1noc(CCC[N@H+](C)C2CC([NH3+])C2)n1 ZINC000568512000 326361327 /nfs/dbraw/zinc/36/13/27/326361327.db2.gz FWEJNJXKSSSQFY-UHFFFAOYSA-N 2 1 224.308 0.732 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511761 326361550 /nfs/dbraw/zinc/36/15/50/326361550.db2.gz UYSIRLRKZSUCBT-LBPRGKRZSA-N 3 1 227.352 0.036 20 0 BCADMP NC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511761 326361552 /nfs/dbraw/zinc/36/15/52/326361552.db2.gz UYSIRLRKZSUCBT-LBPRGKRZSA-N 2 1 227.352 0.036 20 0 BCADMP NC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511761 326361553 /nfs/dbraw/zinc/36/15/53/326361553.db2.gz UYSIRLRKZSUCBT-LBPRGKRZSA-N 2 1 227.352 0.036 20 0 BCADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362901 /nfs/dbraw/zinc/36/29/01/326362901.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 1 200.326 0.639 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362904 /nfs/dbraw/zinc/36/29/04/326362904.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 1 200.326 0.639 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000568621816 326368027 /nfs/dbraw/zinc/36/80/27/326368027.db2.gz LBSIISGNQQVREC-DGCLKSJQSA-N 2 1 242.363 0.624 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568633842 326369661 /nfs/dbraw/zinc/36/96/61/326369661.db2.gz MYKOLFBFCBMSRH-GARJFASQSA-N 2 1 227.352 0.570 20 0 BCADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000568747938 326374751 /nfs/dbraw/zinc/37/47/51/326374751.db2.gz UUQIXSQNGMXOLW-DJLDLDEBSA-N 2 1 247.289 0.050 20 0 BCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000568982428 326384418 /nfs/dbraw/zinc/38/44/18/326384418.db2.gz XYVMNQDFSIFQBP-RNFRBKRXSA-N 2 1 238.282 0.005 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000235563331 487980593 /nfs/dbraw/zinc/98/05/93/487980593.db2.gz LOSDDKYUQRBPMB-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP Cc1cc(NC(=O)CC[N@@H+](C)CCC[NH3+])no1 ZINC000123301954 487983240 /nfs/dbraw/zinc/98/32/40/487983240.db2.gz GNOLBJLNFFXXNJ-UHFFFAOYSA-N 2 1 240.307 0.592 20 0 BCADMP CC[N@H+]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC000677191578 487994639 /nfs/dbraw/zinc/99/46/39/487994639.db2.gz IBZMBEYVLWPIEI-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP CCN1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC000677191578 487994645 /nfs/dbraw/zinc/99/46/45/487994645.db2.gz IBZMBEYVLWPIEI-NSHDSACASA-N 2 1 236.319 0.436 20 0 BCADMP C[C@@H](CO)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221224 488002572 /nfs/dbraw/zinc/00/25/72/488002572.db2.gz DMKMGOLAUFXACX-CYBMUJFWSA-N 2 1 245.411 0.430 20 0 BCADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000388072669 488019787 /nfs/dbraw/zinc/01/97/87/488019787.db2.gz QUZZDKQDCRKBRE-NWDGAFQWSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000388072669 488019793 /nfs/dbraw/zinc/01/97/93/488019793.db2.gz QUZZDKQDCRKBRE-NWDGAFQWSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388072669 488019796 /nfs/dbraw/zinc/01/97/96/488019796.db2.gz QUZZDKQDCRKBRE-NWDGAFQWSA-N 2 1 244.379 0.390 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388072669 488019802 /nfs/dbraw/zinc/01/98/02/488019802.db2.gz QUZZDKQDCRKBRE-NWDGAFQWSA-N 2 1 244.379 0.390 20 0 BCADMP Cc1ncc(CN2CCC(=O)N(C)CC2)n1C ZINC000668621631 488022263 /nfs/dbraw/zinc/02/22/63/488022263.db2.gz JGXRBJKPVJDXSR-UHFFFAOYSA-N 2 1 236.319 0.393 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033711 /nfs/dbraw/zinc/03/37/11/488033711.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033719 /nfs/dbraw/zinc/03/37/19/488033719.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033727 /nfs/dbraw/zinc/03/37/27/488033727.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 2 1 230.352 0.000 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033737 /nfs/dbraw/zinc/03/37/37/488033737.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 2 1 230.352 0.000 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449079 488037891 /nfs/dbraw/zinc/03/78/91/488037891.db2.gz JAKNUPWMKQUOGS-NSHDSACASA-N 2 1 239.363 0.587 20 0 BCADMP CN(C(=O)C1([NH+](C)C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000669178370 488044048 /nfs/dbraw/zinc/04/40/48/488044048.db2.gz XFABTGWEUFAMEE-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP CN(C(=O)C1([NH+](C)C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000669178370 488044054 /nfs/dbraw/zinc/04/40/54/488044054.db2.gz XFABTGWEUFAMEE-LLVKDONJSA-N 2 1 239.363 0.633 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382621 488048310 /nfs/dbraw/zinc/04/83/10/488048310.db2.gz FZSMXPNFUIHNHQ-WDEREUQCSA-N 2 1 225.336 0.196 20 0 BCADMP [NH3+]CCn1cc(C[NH+]2CCCCC2)nn1 ZINC000084378869 488049125 /nfs/dbraw/zinc/04/91/25/488049125.db2.gz UKTGSIJRIVMPHP-UHFFFAOYSA-N 2 1 209.297 0.223 20 0 BCADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669491122 488052589 /nfs/dbraw/zinc/05/25/89/488052589.db2.gz MPZVWGPWMMMPKE-GXSJLCMTSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCCO1 ZINC000393883925 488054598 /nfs/dbraw/zinc/05/45/98/488054598.db2.gz RUIZYJYXOQDFPM-QJPTWQEYSA-N 2 1 230.352 0.456 20 0 BCADMP C([C@H]1CC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257661442 488078577 /nfs/dbraw/zinc/07/85/77/488078577.db2.gz GJVIAXMAGIDGDE-LBPRGKRZSA-N 2 1 223.364 0.671 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000389167111 488079689 /nfs/dbraw/zinc/07/96/89/488079689.db2.gz MVAYYJVBIVHZSE-AXFHLTTASA-N 2 1 227.352 0.570 20 0 BCADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162723 488080054 /nfs/dbraw/zinc/08/00/54/488080054.db2.gz LXJNFFNWTYJUHP-MNOVXSKESA-N 2 1 227.352 0.442 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257685955 488080762 /nfs/dbraw/zinc/08/07/62/488080762.db2.gz KIUXLTNZJTVBRB-NWDGAFQWSA-N 2 1 239.363 0.587 20 0 BCADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000257732332 488086271 /nfs/dbraw/zinc/08/62/71/488086271.db2.gz VETYJVMDNIEOIV-GFCCVEGCSA-N 2 1 239.363 0.587 20 0 BCADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC000257792683 488089175 /nfs/dbraw/zinc/08/91/75/488089175.db2.gz QOEIYNIGJNUPCI-CYBMUJFWSA-N 2 1 225.380 0.916 20 0 BCADMP CC(C)[C@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000257792683 488089178 /nfs/dbraw/zinc/08/91/78/488089178.db2.gz QOEIYNIGJNUPCI-CYBMUJFWSA-N 2 1 225.380 0.916 20 0 BCADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000389692047 488105447 /nfs/dbraw/zinc/10/54/47/488105447.db2.gz FLINPTVPIPWDCG-ZJUUUORDSA-N 2 1 243.376 0.249 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000389692047 488105453 /nfs/dbraw/zinc/10/54/53/488105453.db2.gz FLINPTVPIPWDCG-ZJUUUORDSA-N 2 1 243.376 0.249 20 0 BCADMP Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000389800314 488112071 /nfs/dbraw/zinc/11/20/71/488112071.db2.gz AEGGWRCVODWUQI-ONGXEEELSA-N 2 1 223.324 0.422 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785038 488114184 /nfs/dbraw/zinc/11/41/84/488114184.db2.gz AALHSEFIKWTECB-VXGBXAGGSA-N 2 1 239.363 0.587 20 0 BCADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000389834941 488116639 /nfs/dbraw/zinc/11/66/39/488116639.db2.gz MZQHUQXWPKOTKY-PSASIEDQSA-N 2 1 209.297 0.032 20 0 BCADMP CC(C)[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[NH2+]1 ZINC000669514680 488124240 /nfs/dbraw/zinc/12/42/40/488124240.db2.gz ZDHDTGYPGMIMSD-NXEZZACHSA-N 2 1 243.376 0.105 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551002 487529865 /nfs/dbraw/zinc/52/98/65/487529865.db2.gz AEUVMGCPKAYJFZ-NEPJUHHUSA-N 2 1 239.363 0.444 20 0 BCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+](C)C ZINC000674263833 487538651 /nfs/dbraw/zinc/53/86/51/487538651.db2.gz PCMYYCNBNCVSCB-SDDRHHMPSA-N 2 1 239.363 0.680 20 0 BCADMP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000094570985 487544579 /nfs/dbraw/zinc/54/45/79/487544579.db2.gz QSJQXJPKBBXJIB-VIFPVBQESA-N 2 1 249.314 0.705 20 0 BCADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000674286731 487546409 /nfs/dbraw/zinc/54/64/09/487546409.db2.gz VOJZEURMVHHAKT-NSHDSACASA-N 2 1 229.368 0.783 20 0 BCADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@H]1CCO ZINC000662302276 487546474 /nfs/dbraw/zinc/54/64/74/487546474.db2.gz LRNALSWOWCSAHE-MNOVXSKESA-N 2 1 200.326 0.818 20 0 BCADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288648 487549568 /nfs/dbraw/zinc/54/95/68/487549568.db2.gz GYZDJBLWVRFVIG-SRVKXCTJSA-N 2 1 241.379 0.878 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000381172304 487501060 /nfs/dbraw/zinc/50/10/60/487501060.db2.gz UKNFUEUXGYSEJU-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000381172304 487501063 /nfs/dbraw/zinc/50/10/63/487501063.db2.gz UKNFUEUXGYSEJU-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000381172304 487501065 /nfs/dbraw/zinc/50/10/65/487501065.db2.gz UKNFUEUXGYSEJU-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC000381172304 487501066 /nfs/dbraw/zinc/50/10/66/487501066.db2.gz UKNFUEUXGYSEJU-VXGBXAGGSA-N 2 1 230.352 0.267 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657975060 487501527 /nfs/dbraw/zinc/50/15/27/487501527.db2.gz WVLXJLPLZYTDHI-WCQYABFASA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657975060 487501529 /nfs/dbraw/zinc/50/15/29/487501529.db2.gz WVLXJLPLZYTDHI-WCQYABFASA-N 2 1 224.348 0.975 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218775 487501911 /nfs/dbraw/zinc/50/19/11/487501911.db2.gz GLGXJLWKFZJKBW-RYUDHWBXSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218775 487501914 /nfs/dbraw/zinc/50/19/14/487501914.db2.gz GLGXJLWKFZJKBW-RYUDHWBXSA-N 2 1 228.336 0.210 20 0 BCADMP O[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000107153145 487507695 /nfs/dbraw/zinc/50/76/95/487507695.db2.gz NLECTWJKKXZURH-LBPRGKRZSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)O ZINC000087128331 487611943 /nfs/dbraw/zinc/61/19/43/487611943.db2.gz GWPAPZQOZQQWGC-VWYCJHECSA-N 2 1 212.337 0.830 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@H](COC)OC)CC1 ZINC000234358866 487805028 /nfs/dbraw/zinc/80/50/28/487805028.db2.gz UCBSJRILNQLVJU-LLVKDONJSA-N 2 1 216.325 0.332 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235563263 487980777 /nfs/dbraw/zinc/98/07/77/487980777.db2.gz LOSDDKYUQRBPMB-WDEREUQCSA-N 2 1 212.337 0.831 20 0 BCADMP [NH3+]CCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000074415217 488005092 /nfs/dbraw/zinc/00/50/92/488005092.db2.gz UXZXCDWEWJXNIH-UHFFFAOYSA-N 2 1 235.331 0.863 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663499328 488047803 /nfs/dbraw/zinc/04/78/03/488047803.db2.gz VSXKCACDKXCSTH-WYUUTHIRSA-N 3 1 209.337 0.184 20 0 BCADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000085282110 488155758 /nfs/dbraw/zinc/15/57/58/488155758.db2.gz ULZJNONDWMYKID-WISYIIOYSA-N 2 1 210.321 0.705 20 0 BCADMP Cn1nccc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000230775246 488157087 /nfs/dbraw/zinc/15/70/87/488157087.db2.gz OWVKDGJMVXFGIO-UHFFFAOYSA-N 2 1 224.352 0.879 20 0 BCADMP CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000389152499 488165629 /nfs/dbraw/zinc/16/56/29/488165629.db2.gz JVXYCAJWLHMYCT-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP O=C1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N1 ZINC000380033493 488168072 /nfs/dbraw/zinc/16/80/72/488168072.db2.gz PSVXPAMOOBHGCS-NSHDSACASA-N 2 1 237.347 0.481 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCCCO ZINC000380077593 488171352 /nfs/dbraw/zinc/17/13/52/488171352.db2.gz DHPDKBZCQNSOSU-CYBMUJFWSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCCCO ZINC000380077593 488171354 /nfs/dbraw/zinc/17/13/54/488171354.db2.gz DHPDKBZCQNSOSU-CYBMUJFWSA-N 2 1 246.395 0.782 20 0 BCADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCCCO ZINC000380077593 488171356 /nfs/dbraw/zinc/17/13/56/488171356.db2.gz DHPDKBZCQNSOSU-CYBMUJFWSA-N 2 1 246.395 0.782 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000398051518 488197818 /nfs/dbraw/zinc/19/78/18/488197818.db2.gz DNTYCZABSOMGKO-GHMZBOCLSA-N 2 1 237.347 0.611 20 0 BCADMP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000398109414 488211324 /nfs/dbraw/zinc/21/13/24/488211324.db2.gz WSUIFRNTOWYCSV-MNOVXSKESA-N 2 1 237.347 0.611 20 0 BCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141963 488212227 /nfs/dbraw/zinc/21/22/27/488212227.db2.gz APQVLMMRPDSJCZ-SNVBAGLBSA-N 2 1 225.336 0.468 20 0 BCADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141957 488212248 /nfs/dbraw/zinc/21/22/48/488212248.db2.gz APQVLMMRPDSJCZ-JTQLQIEISA-N 2 1 225.336 0.468 20 0 BCADMP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000398242573 488215641 /nfs/dbraw/zinc/21/56/41/488215641.db2.gz ZZFWGNOSXANRCR-VIFPVBQESA-N 2 1 223.320 0.221 20 0 BCADMP C[N@@H+]1C[C@H]2CN(Cc3cn[nH]c3)C[C@H]2C1 ZINC000683843904 488231006 /nfs/dbraw/zinc/23/10/06/488231006.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 1 206.293 0.403 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000120980497 490072779 /nfs/dbraw/zinc/07/27/79/490072779.db2.gz FIAIDEIXKLORQM-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP C[C@H](CO)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000120980497 490072784 /nfs/dbraw/zinc/07/27/84/490072784.db2.gz FIAIDEIXKLORQM-LBPRGKRZSA-N 2 1 244.379 0.393 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382862347 490138914 /nfs/dbraw/zinc/13/89/14/490138914.db2.gz MVHZEWNSAJOUDN-VXGBXAGGSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382862347 490138920 /nfs/dbraw/zinc/13/89/20/490138920.db2.gz MVHZEWNSAJOUDN-VXGBXAGGSA-N 2 1 246.395 0.779 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382862347 490138927 /nfs/dbraw/zinc/13/89/27/490138927.db2.gz MVHZEWNSAJOUDN-VXGBXAGGSA-N 2 1 246.395 0.779 20 0 BCADMP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000045954655 490158578 /nfs/dbraw/zinc/15/85/78/490158578.db2.gz WHHZPJWEFLFPOJ-SECBINFHSA-N 2 1 206.293 0.885 20 0 BCADMP Cn1nccc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000383746274 490200017 /nfs/dbraw/zinc/20/00/17/490200017.db2.gz DBZXCYHPNQTPKK-AAEUAGOBSA-N 2 1 234.347 0.646 20 0 BCADMP Cn1nccc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000383746274 490200023 /nfs/dbraw/zinc/20/00/23/490200023.db2.gz DBZXCYHPNQTPKK-AAEUAGOBSA-N 2 1 234.347 0.646 20 0 BCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000571651589 490286310 /nfs/dbraw/zinc/28/63/10/490286310.db2.gz IWCSREUSSNZYOZ-YUMQZZPRSA-N 2 1 235.278 0.166 20 0 BCADMP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC000653267610 490497993 /nfs/dbraw/zinc/49/79/93/490497993.db2.gz SSXPFYUHYRNAJE-JTQLQIEISA-N 2 1 243.376 0.155 20 0 BCADMP OCC[C@@H]1CSCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000393776555 490689421 /nfs/dbraw/zinc/68/94/21/490689421.db2.gz YGMGWICYUNKRQU-GHMZBOCLSA-N 2 1 230.377 0.396 20 0 BCADMP C[NH+](C)C/C=C/C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491849945 491080878 /nfs/dbraw/zinc/08/08/78/491080878.db2.gz XALZESZJGYBWOV-UFFNRZRYSA-N 2 1 237.347 0.457 20 0 BCADMP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000130673245 491129243 /nfs/dbraw/zinc/12/92/43/491129243.db2.gz ZWSRYWUTIITEOR-GHMZBOCLSA-N 2 1 239.363 0.585 20 0 BCADMP C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000082303080 491142702 /nfs/dbraw/zinc/14/27/02/491142702.db2.gz HIJCGCHIPNZZHV-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP COC(=O)C1=CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000858476005 582461479 /nfs/dbraw/zinc/46/14/79/582461479.db2.gz MQZVEJKKWFPGCZ-GFCCVEGCSA-N 2 1 238.331 0.932 20 0 BCADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400367318 533856523 /nfs/dbraw/zinc/85/65/23/533856523.db2.gz SEFZBOJMUSTQNM-QWHCGFSZSA-N 2 1 223.364 0.978 20 0 BCADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000400405702 533896378 /nfs/dbraw/zinc/89/63/78/533896378.db2.gz RRXXLKHXHBZRHQ-WCQGTBRESA-N 2 1 212.337 0.878 20 0 BCADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000478920534 534071549 /nfs/dbraw/zinc/07/15/49/534071549.db2.gz ADBNJBKMMCRFDJ-TUAOUCFPSA-N 2 1 239.363 0.442 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400361653 534079029 /nfs/dbraw/zinc/07/90/29/534079029.db2.gz CGXXISWLLRKCGK-UKKRHICBSA-N 2 1 232.393 0.829 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400361654 534079967 /nfs/dbraw/zinc/07/99/67/534079967.db2.gz CGXXISWLLRKCGK-VPOLOUISSA-N 2 1 232.393 0.829 20 0 BCADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000496898569 534098925 /nfs/dbraw/zinc/09/89/25/534098925.db2.gz AHKGPOWDXYEUSC-GHMZBOCLSA-N 2 1 241.335 0.416 20 0 BCADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400417381 527741788 /nfs/dbraw/zinc/74/17/88/527741788.db2.gz VOIABIILGZDGOS-HBNTYKKESA-N 2 1 200.326 0.733 20 0 BCADMP CC[N@H+]1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062131 527759677 /nfs/dbraw/zinc/75/96/77/527759677.db2.gz ZKWIPNPDBRIZDV-MVIFTORASA-N 2 1 225.336 0.315 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493937164 528347146 /nfs/dbraw/zinc/34/71/46/528347146.db2.gz NZAVLNHSGDTWOD-MNOVXSKESA-N 2 1 229.368 0.818 20 0 BCADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000493888493 528498950 /nfs/dbraw/zinc/49/89/50/528498950.db2.gz NKFORGRJAUHWLJ-QWRGUYRKSA-N 2 1 229.368 0.816 20 0 BCADMP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC[NH3+])C1 ZINC000496789474 528974238 /nfs/dbraw/zinc/97/42/38/528974238.db2.gz DJVJLKFCMVTJIS-GHMZBOCLSA-N 2 1 243.351 0.792 20 0 BCADMP CON(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000850479842 582920199 /nfs/dbraw/zinc/92/01/99/582920199.db2.gz DGDGCNFOKSFBAU-QWRGUYRKSA-N 2 1 215.341 0.552 20 0 BCADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000224045477 535044016 /nfs/dbraw/zinc/04/40/16/535044016.db2.gz HHPWQHLPGUFKJT-MNOVXSKESA-N 2 1 227.352 0.714 20 0 BCADMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163829426 535115474 /nfs/dbraw/zinc/11/54/74/535115474.db2.gz KMKGOMRYYQFERW-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163829426 535115478 /nfs/dbraw/zinc/11/54/78/535115478.db2.gz KMKGOMRYYQFERW-SDDRHHMPSA-N 2 1 241.379 0.818 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000166637957 535224128 /nfs/dbraw/zinc/22/41/28/535224128.db2.gz UOFLHIKMAGHYHQ-GFCCVEGCSA-N 2 1 241.379 0.977 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226998 535385351 /nfs/dbraw/zinc/38/53/51/535385351.db2.gz XITBRBMJXPWHJO-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224226998 535385352 /nfs/dbraw/zinc/38/53/52/535385352.db2.gz XITBRBMJXPWHJO-RYUDHWBXSA-N 2 1 241.379 0.818 20 0 BCADMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262329369 535491746 /nfs/dbraw/zinc/49/17/46/535491746.db2.gz UVZPTKQODSXFDS-LLVKDONJSA-N 2 1 224.352 0.800 20 0 BCADMP CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000262473061 535512626 /nfs/dbraw/zinc/51/26/26/535512626.db2.gz PKZMBQHIXVSCKQ-SNVBAGLBSA-N 2 1 215.341 0.441 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N(C)C)[C@H](C)C1 ZINC000178293390 535768477 /nfs/dbraw/zinc/76/84/77/535768477.db2.gz XUDWYTXXJQBJFB-NEPJUHHUSA-N 2 1 241.379 0.785 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000227332811 536377611 /nfs/dbraw/zinc/37/76/11/536377611.db2.gz WZHVFZNZYJITFH-VXGBXAGGSA-N 2 1 239.363 0.668 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394608493 582996865 /nfs/dbraw/zinc/99/68/65/582996865.db2.gz RBRVVGJTQAATFE-YNEHKIRRSA-N 2 1 242.363 0.600 20 0 BCADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892947245 583015101 /nfs/dbraw/zinc/01/51/01/583015101.db2.gz ZZJKBSDDGKYXIP-JQWIXIFHSA-N 2 1 228.336 0.869 20 0 BCADMP CC[C@H]([NH2+]CCN(C)C(=O)OC)[C@@H]1CCC[NH2+]1 ZINC000854226844 588780581 /nfs/dbraw/zinc/78/05/81/588780581.db2.gz FFHVOYYCDHIOBI-QWRGUYRKSA-N 2 1 243.351 0.805 20 0 BCADMP C/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346362 588828495 /nfs/dbraw/zinc/82/84/95/588828495.db2.gz YMBGPCASLKNAFQ-WMADIVHISA-N 2 1 241.379 0.951 20 0 BCADMP C/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346362 588828496 /nfs/dbraw/zinc/82/84/96/588828496.db2.gz YMBGPCASLKNAFQ-WMADIVHISA-N 2 1 241.379 0.951 20 0 BCADMP COC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345477 588828730 /nfs/dbraw/zinc/82/87/30/588828730.db2.gz BIWFMFSNNABWFF-JTQLQIEISA-N 2 1 231.340 0.614 20 0 BCADMP COC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345477 588828731 /nfs/dbraw/zinc/82/87/31/588828731.db2.gz BIWFMFSNNABWFF-JTQLQIEISA-N 2 1 231.340 0.614 20 0 BCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000891438375 582685484 /nfs/dbraw/zinc/68/54/84/582685484.db2.gz QKVZAIHINBYQHR-GMTAPVOTSA-N 2 1 240.351 0.212 20 0 BCADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CO)CC1 ZINC000891954151 582744934 /nfs/dbraw/zinc/74/49/34/582744934.db2.gz SZAJCCXWOSRHHY-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CO)CC1 ZINC000891954151 582744936 /nfs/dbraw/zinc/74/49/36/582744936.db2.gz SZAJCCXWOSRHHY-LBPRGKRZSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000892061418 582779946 /nfs/dbraw/zinc/77/99/46/582779946.db2.gz HYJAFIFCKVSMHP-GMTAPVOTSA-N 2 1 240.351 0.069 20 0 BCADMP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C2CC2)n1 ZINC000892250631 582813135 /nfs/dbraw/zinc/81/31/35/582813135.db2.gz BUSYHLKDYGZBHT-VXGBXAGGSA-N 2 1 246.358 0.949 20 0 BCADMP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C2CC2)n1 ZINC000892250629 582813546 /nfs/dbraw/zinc/81/35/46/582813546.db2.gz BUSYHLKDYGZBHT-RYUDHWBXSA-N 2 1 246.358 0.949 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004176 582821912 /nfs/dbraw/zinc/82/19/12/582821912.db2.gz DNPLQPUJGSVXDZ-JTQLQIEISA-N 2 1 212.341 0.851 20 0 BCADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008212 582822076 /nfs/dbraw/zinc/82/20/76/582822076.db2.gz YQFOVCDJYOHUEO-QWRGUYRKSA-N 2 1 241.383 0.145 20 0 BCADMP CN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125497603 582825235 /nfs/dbraw/zinc/82/52/35/582825235.db2.gz QRRVDIPLRQEWPH-OLZOCXBDSA-N 2 1 239.363 0.143 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000892429529 582885543 /nfs/dbraw/zinc/88/55/43/582885543.db2.gz NGEKDWKGFXTIAT-SECBINFHSA-N 2 1 202.298 0.479 20 0 BCADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC000178993052 582958219 /nfs/dbraw/zinc/95/82/19/582958219.db2.gz DNMXSXBOBSLDLX-GHMZBOCLSA-N 2 1 241.379 0.831 20 0 BCADMP COCCOC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000892757337 582976569 /nfs/dbraw/zinc/97/65/69/582976569.db2.gz IFGBMTNWXRWMIP-LLVKDONJSA-N 2 1 241.335 0.833 20 0 BCADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000892947247 583016375 /nfs/dbraw/zinc/01/63/75/583016375.db2.gz ZZJKBSDDGKYXIP-PWSUYJOCSA-N 2 1 228.336 0.869 20 0 BCADMP OCc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000893160931 583059715 /nfs/dbraw/zinc/05/97/15/583059715.db2.gz YWIVEOKMJREFPF-LBPRGKRZSA-N 2 1 249.314 0.095 20 0 BCADMP OCc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000893160931 583059716 /nfs/dbraw/zinc/05/97/16/583059716.db2.gz YWIVEOKMJREFPF-LBPRGKRZSA-N 2 1 249.314 0.095 20 0 BCADMP Cc1cc(N)nc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000893265481 583080619 /nfs/dbraw/zinc/08/06/19/583080619.db2.gz LHBVXLASJXDQDA-VIFPVBQESA-N 2 1 244.302 0.991 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N(C)Cc1cnc[nH]1 ZINC000857107525 588888746 /nfs/dbraw/zinc/88/87/46/588888746.db2.gz XVNKNSDQMVBONE-QMMMGPOBSA-N 2 1 225.296 0.288 20 0 BCADMP CC[N@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000893964506 583265882 /nfs/dbraw/zinc/26/58/82/583265882.db2.gz BJYKOJIZZNGBTH-UHFFFAOYSA-N 2 1 213.325 0.135 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000857111303 588889193 /nfs/dbraw/zinc/88/91/93/588889193.db2.gz IZPLVRTUWWTKTN-JTQLQIEISA-N 2 1 240.351 0.285 20 0 BCADMP C[NH+](C)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000857229361 588896505 /nfs/dbraw/zinc/89/65/05/588896505.db2.gz QSGRUEXUQCPOHR-ILDUYXDCSA-N 2 1 225.336 0.289 20 0 BCADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582081 583440750 /nfs/dbraw/zinc/44/07/50/583440750.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582081 583440753 /nfs/dbraw/zinc/44/07/53/583440753.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582081 583440757 /nfs/dbraw/zinc/44/07/57/583440757.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 2 1 212.337 0.783 20 0 BCADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3OCCO3)CC[C@H]21 ZINC000879581728 583440781 /nfs/dbraw/zinc/44/07/81/583440781.db2.gz NIHNTERLROUKOL-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3OCCO3)CC[C@H]21 ZINC000879581728 583440783 /nfs/dbraw/zinc/44/07/83/583440783.db2.gz NIHNTERLROUKOL-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3OCCO3)CC[C@H]21 ZINC000879581728 583440786 /nfs/dbraw/zinc/44/07/86/583440786.db2.gz NIHNTERLROUKOL-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3OCCO3)CC[C@H]21 ZINC000879581728 583440789 /nfs/dbraw/zinc/44/07/89/583440789.db2.gz NIHNTERLROUKOL-VXGBXAGGSA-N 2 1 240.347 0.775 20 0 BCADMP CCc1nccc(N(C)CC[N@@H+](C)CCO)n1 ZINC000894590750 583488099 /nfs/dbraw/zinc/48/80/99/583488099.db2.gz HDRGKCZLEIISSA-UHFFFAOYSA-N 2 1 238.335 0.399 20 0 BCADMP Cc1cc(N)nc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000895021696 583569985 /nfs/dbraw/zinc/56/99/85/583569985.db2.gz IMJGWKCJCCDHOU-QWRGUYRKSA-N 2 1 247.346 0.898 20 0 BCADMP CN1CCC[C@H]1C(=O)N[C@@H]1CCn2cncc21 ZINC000857984551 588925950 /nfs/dbraw/zinc/92/59/50/588925950.db2.gz JTSHFTNMVNXWBX-ZJUUUORDSA-N 2 1 234.303 0.538 20 0 BCADMP C[N@@H+]1CC[C@@H]([NH2+]CC[S@@](C)=O)CC1(C)C ZINC000858139960 588934960 /nfs/dbraw/zinc/93/49/60/588934960.db2.gz VRSOKWPUMKPVBA-MEBBXXQBSA-N 2 1 232.393 0.827 20 0 BCADMP C[N@H+]1CC[C@@H]([NH2+]CC[S@@](C)=O)CC1(C)C ZINC000858139960 588934961 /nfs/dbraw/zinc/93/49/61/588934961.db2.gz VRSOKWPUMKPVBA-MEBBXXQBSA-N 2 1 232.393 0.827 20 0 BCADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000897297550 583911536 /nfs/dbraw/zinc/91/15/36/583911536.db2.gz JAQPXBKHQBURAP-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000897297550 583911537 /nfs/dbraw/zinc/91/15/37/583911537.db2.gz JAQPXBKHQBURAP-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897297550 583911539 /nfs/dbraw/zinc/91/15/39/583911539.db2.gz JAQPXBKHQBURAP-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000897297550 583911541 /nfs/dbraw/zinc/91/15/41/583911541.db2.gz JAQPXBKHQBURAP-SDDRHHMPSA-N 2 1 239.363 0.632 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000864464849 584007846 /nfs/dbraw/zinc/00/78/46/584007846.db2.gz JGAAMBZEUNEUAR-WDEREUQCSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000864464849 584007847 /nfs/dbraw/zinc/00/78/47/584007847.db2.gz JGAAMBZEUNEUAR-WDEREUQCSA-N 2 1 222.336 0.771 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000864464847 584007917 /nfs/dbraw/zinc/00/79/17/584007917.db2.gz JGAAMBZEUNEUAR-MNOVXSKESA-N 2 1 222.336 0.771 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000864464847 584007919 /nfs/dbraw/zinc/00/79/19/584007919.db2.gz JGAAMBZEUNEUAR-MNOVXSKESA-N 2 1 222.336 0.771 20 0 BCADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729687090 584023360 /nfs/dbraw/zinc/02/33/60/584023360.db2.gz QKTOXJSZLQOBTA-VXGBXAGGSA-N 2 1 241.379 0.641 20 0 BCADMP CC[N@@H+](CCC(=O)NC)CC1CC[NH+](C)CC1 ZINC000897709782 584042095 /nfs/dbraw/zinc/04/20/95/584042095.db2.gz UOHJXVGOOTWCNO-UHFFFAOYSA-N 2 1 241.379 0.786 20 0 BCADMP CCC[N@@H+](C)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898611582 584146612 /nfs/dbraw/zinc/14/66/12/584146612.db2.gz XSBBBQUFPFIPCV-UHFFFAOYSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000899224164 584184368 /nfs/dbraw/zinc/18/43/68/584184368.db2.gz MSUDQJDVETYKSJ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000899224164 584184369 /nfs/dbraw/zinc/18/43/69/584184369.db2.gz MSUDQJDVETYKSJ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899224164 584184372 /nfs/dbraw/zinc/18/43/72/584184372.db2.gz MSUDQJDVETYKSJ-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000899224161 584184396 /nfs/dbraw/zinc/18/43/96/584184396.db2.gz MSUDQJDVETYKSJ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000899224161 584184399 /nfs/dbraw/zinc/18/43/99/584184399.db2.gz MSUDQJDVETYKSJ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899224161 584184402 /nfs/dbraw/zinc/18/44/02/584184402.db2.gz MSUDQJDVETYKSJ-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000899266323 584189578 /nfs/dbraw/zinc/18/95/78/584189578.db2.gz RLRUKPITYQIQAP-ZJUUUORDSA-N 2 1 224.352 0.851 20 0 BCADMP CC(C)C[C@H]([NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000900017770 584266567 /nfs/dbraw/zinc/26/65/67/584266567.db2.gz STJPEACAXOLANC-QMMMGPOBSA-N 2 1 224.308 0.933 20 0 BCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372529 584298323 /nfs/dbraw/zinc/29/83/23/584298323.db2.gz UMSWZNLRPPSNCI-NSHDSACASA-N 2 1 249.358 0.435 20 0 BCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372528 584298529 /nfs/dbraw/zinc/29/85/29/584298529.db2.gz UMSWZNLRPPSNCI-LLVKDONJSA-N 2 1 249.358 0.435 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900448031 584311449 /nfs/dbraw/zinc/31/14/49/584311449.db2.gz GFJYNIJYBRAIJN-UHFFFAOYSA-N 2 1 248.330 0.404 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588685 584329112 /nfs/dbraw/zinc/32/91/12/584329112.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 1 236.319 0.553 20 0 BCADMP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900588685 584329113 /nfs/dbraw/zinc/32/91/13/584329113.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 1 236.319 0.553 20 0 BCADMP CC[N@H+]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900588685 584329114 /nfs/dbraw/zinc/32/91/14/584329114.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 1 236.319 0.553 20 0 BCADMP C[N@H+](CC1CC[NH+](C)CC1)CN1CCOC1=O ZINC000902114620 584527377 /nfs/dbraw/zinc/52/73/77/584527377.db2.gz PZQUWHBWKBLSMB-UHFFFAOYSA-N 2 1 241.335 0.670 20 0 BCADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CCOC1=O ZINC000902114620 584527380 /nfs/dbraw/zinc/52/73/80/584527380.db2.gz PZQUWHBWKBLSMB-UHFFFAOYSA-N 2 1 241.335 0.670 20 0 BCADMP CC1(C)C[NH2+]CC[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000902393949 584583469 /nfs/dbraw/zinc/58/34/69/584583469.db2.gz SAPPSIFKFGQPEG-SECBINFHSA-N 2 1 235.322 0.948 20 0 BCADMP C[C@@H]([NH2+]CCCON)c1c[nH+]ccc1N ZINC000902416662 584590445 /nfs/dbraw/zinc/59/04/45/584590445.db2.gz VUGBRHPXIBGQSP-MRVPVSSYSA-N 2 1 210.281 0.425 20 0 BCADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H](C)C1 ZINC000902416941 584590970 /nfs/dbraw/zinc/59/09/70/584590970.db2.gz PWVDGRHAPISZHQ-MNOVXSKESA-N 2 1 211.353 0.798 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478478 584603236 /nfs/dbraw/zinc/60/32/36/584603236.db2.gz XHICOQLMJSCDQC-MJDLHHQISA-N 2 1 209.337 0.419 20 0 BCADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478481 584603248 /nfs/dbraw/zinc/60/32/48/584603248.db2.gz XHICOQLMJSCDQC-ZIQFBCGOSA-N 2 1 209.337 0.419 20 0 BCADMP OC1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902469478 584615437 /nfs/dbraw/zinc/61/54/37/584615437.db2.gz RGLBHDLWGNYRSK-JDSXPTGVSA-N 2 1 210.321 0.772 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472125 584617588 /nfs/dbraw/zinc/61/75/88/584617588.db2.gz XHICOQLMJSCDQC-PREPNJAASA-N 2 1 209.337 0.419 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502927 584620629 /nfs/dbraw/zinc/62/06/29/584620629.db2.gz HPABHAQYBQINPG-MVWJERBFSA-N 2 1 212.337 0.878 20 0 BCADMP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481605 584623710 /nfs/dbraw/zinc/62/37/10/584623710.db2.gz FNIAIDMPHYVKDF-STQMWFEESA-N 3 1 243.395 0.862 20 0 BCADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000902485997 584625175 /nfs/dbraw/zinc/62/51/75/584625175.db2.gz DSKWPCYBTJRRGC-ZDEQEGDKSA-N 2 1 223.364 0.940 20 0 BCADMP N[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C12CCC2 ZINC000902487180 584625958 /nfs/dbraw/zinc/62/59/58/584625958.db2.gz JKOFUNPLSSFXBF-DBIOUOCHSA-N 2 1 209.337 0.583 20 0 BCADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487697 584626973 /nfs/dbraw/zinc/62/69/73/584626973.db2.gz LXKFYAZZQCZKSI-DDHJBXDOSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000902489540 584627210 /nfs/dbraw/zinc/62/72/10/584627210.db2.gz RBMJDPWAGKHHEM-BJDJZHNGSA-N 2 1 211.353 0.844 20 0 BCADMP C[C@H](N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000902489540 584627211 /nfs/dbraw/zinc/62/72/11/584627211.db2.gz RBMJDPWAGKHHEM-BJDJZHNGSA-N 2 1 211.353 0.844 20 0 BCADMP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000902488906 584627549 /nfs/dbraw/zinc/62/75/49/584627549.db2.gz OFDJXQRAILZUOF-GMTAPVOTSA-N 2 1 209.337 0.598 20 0 BCADMP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902518460 584630586 /nfs/dbraw/zinc/63/05/86/584630586.db2.gz LMRBKGMFJOQEOG-PYIXCIEVSA-N 2 1 248.370 0.997 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426435 584761099 /nfs/dbraw/zinc/76/10/99/584761099.db2.gz IVUGKEHPXJYDLW-USZNOCQGSA-N 3 1 227.352 0.162 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426435 584761100 /nfs/dbraw/zinc/76/11/00/584761100.db2.gz IVUGKEHPXJYDLW-USZNOCQGSA-N 3 1 227.352 0.162 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425264 584761247 /nfs/dbraw/zinc/76/12/47/584761247.db2.gz YYMKAVZYSQNJKS-GRYCIOLGSA-N 3 1 211.353 0.798 20 0 BCADMP C[NH2+]C[C@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425264 584761248 /nfs/dbraw/zinc/76/12/48/584761248.db2.gz YYMKAVZYSQNJKS-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP CCCC[N@@H+](CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903427303 584761658 /nfs/dbraw/zinc/76/16/58/584761658.db2.gz WEKPEAHNGVZPKE-NEPJUHHUSA-N 2 1 214.353 0.936 20 0 BCADMP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903432407 584761924 /nfs/dbraw/zinc/76/19/24/584761924.db2.gz AWIMPLXRMCWXEB-QJPTWQEYSA-N 2 1 239.363 0.844 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000903433073 584762103 /nfs/dbraw/zinc/76/21/03/584762103.db2.gz SXNZPRZPGQNXKV-GRYCIOLGSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000903433074 584762151 /nfs/dbraw/zinc/76/21/51/584762151.db2.gz SXNZPRZPGQNXKV-WOPDTQHZSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439488 584762545 /nfs/dbraw/zinc/76/25/45/584762545.db2.gz IHBYPRUZSFUKNW-VWYCJHECSA-N 2 1 200.326 0.545 20 0 BCADMP CON1CC[C@H]([N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000903425056 584765515 /nfs/dbraw/zinc/76/55/15/584765515.db2.gz QDGFVMNJHSFUOK-DCAQKATOSA-N 2 1 241.335 0.208 20 0 BCADMP CON1CC[C@H]([N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000903425056 584765517 /nfs/dbraw/zinc/76/55/17/584765517.db2.gz QDGFVMNJHSFUOK-DCAQKATOSA-N 2 1 241.335 0.208 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3nccnc3C2)C1 ZINC000903464707 584765679 /nfs/dbraw/zinc/76/56/79/584765679.db2.gz WWEPGBHNWKWKTK-WDEREUQCSA-N 2 1 232.331 0.962 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000903459264 584765764 /nfs/dbraw/zinc/76/57/64/584765764.db2.gz FOZGXSRPPWNFCI-YNEHKIRRSA-N 3 1 223.364 0.942 20 0 BCADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000903459264 584765766 /nfs/dbraw/zinc/76/57/66/584765766.db2.gz FOZGXSRPPWNFCI-YNEHKIRRSA-N 2 1 223.364 0.942 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000903461029 584766378 /nfs/dbraw/zinc/76/63/78/584766378.db2.gz NFKBVWNEMUECJB-RHYQMDGZSA-N 2 1 212.337 0.687 20 0 BCADMP CCO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903460443 584766452 /nfs/dbraw/zinc/76/64/52/584766452.db2.gz CMJWOXUTDMOOSU-FVCCEPFGSA-N 3 1 241.379 0.138 20 0 BCADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903460443 584766453 /nfs/dbraw/zinc/76/64/53/584766453.db2.gz CMJWOXUTDMOOSU-FVCCEPFGSA-N 3 1 241.379 0.138 20 0 BCADMP COCC[NH2+]C1CC[NH+](CCOC2CC2)CC1 ZINC000903460470 584766897 /nfs/dbraw/zinc/76/68/97/584766897.db2.gz DIVMNHVMPBUCIX-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000903463987 584767252 /nfs/dbraw/zinc/76/72/52/584767252.db2.gz VNOVCVPSSJJHSL-CMPLNLGQSA-N 2 1 249.358 0.984 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447401 584770831 /nfs/dbraw/zinc/77/08/31/584770831.db2.gz QVDWSIQQDRUALE-WYUUTHIRSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447401 584770832 /nfs/dbraw/zinc/77/08/32/584770832.db2.gz QVDWSIQQDRUALE-WYUUTHIRSA-N 3 1 211.353 0.511 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903449252 584771144 /nfs/dbraw/zinc/77/11/44/584771144.db2.gz QYDAFKNIQVCAEI-AGIUHOORSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903449252 584771145 /nfs/dbraw/zinc/77/11/45/584771145.db2.gz QYDAFKNIQVCAEI-AGIUHOORSA-N 3 1 223.364 0.527 20 0 BCADMP C[C@H]1NCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903449792 584771247 /nfs/dbraw/zinc/77/12/47/584771247.db2.gz GGNQKVJOUJRLSU-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP C[C@H]1[NH2+]CCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903449792 584771249 /nfs/dbraw/zinc/77/12/49/584771249.db2.gz GGNQKVJOUJRLSU-KKOKHZNYSA-N 2 1 211.353 0.796 20 0 BCADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464581 584771954 /nfs/dbraw/zinc/77/19/54/584771954.db2.gz SLYOMEKIYYEDBK-WYUUTHIRSA-N 2 1 240.347 0.997 20 0 BCADMP C([C@H]1CCC[NH2+]1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903453125 584772563 /nfs/dbraw/zinc/77/25/63/584772563.db2.gz ZVSOZCCALQIAGH-GFCCVEGCSA-N 3 1 223.364 0.814 20 0 BCADMP C[N@H+]1CC[C@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000903476466 584777275 /nfs/dbraw/zinc/77/72/75/584777275.db2.gz XREFVPAVLOKUOX-YNEHKIRRSA-N 2 1 223.364 0.764 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000903476117 584777304 /nfs/dbraw/zinc/77/73/04/584777304.db2.gz NZXLLCIFILMEQR-MQYQWHSLSA-N 2 1 237.391 0.868 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903476970 584777575 /nfs/dbraw/zinc/77/75/75/584777575.db2.gz PTQDECGIECSDID-KKOKHZNYSA-N 3 1 211.353 0.640 20 0 BCADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482924 584778878 /nfs/dbraw/zinc/77/88/78/584778878.db2.gz YQQHHXBSIUILIU-YTWAJWBKSA-N 2 1 211.353 0.829 20 0 BCADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482922 584779040 /nfs/dbraw/zinc/77/90/40/584779040.db2.gz YQQHHXBSIUILIU-RCWTZXSCSA-N 2 1 211.353 0.829 20 0 BCADMP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498841 584779999 /nfs/dbraw/zinc/77/99/99/584779999.db2.gz FUGMWAYJCUJSBM-OPRDCNLKSA-N 2 1 238.339 0.188 20 0 BCADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1N ZINC000903556984 584782985 /nfs/dbraw/zinc/78/29/85/584782985.db2.gz JBMZWQQVHAOTRK-GHMZBOCLSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556984 584782986 /nfs/dbraw/zinc/78/29/86/584782986.db2.gz JBMZWQQVHAOTRK-GHMZBOCLSA-N 2 1 211.353 0.655 20 0 BCADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556984 584782987 /nfs/dbraw/zinc/78/29/87/584782987.db2.gz JBMZWQQVHAOTRK-GHMZBOCLSA-N 3 1 211.353 0.655 20 0 BCADMP CC1(C)CN(CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903556984 584782988 /nfs/dbraw/zinc/78/29/88/584782988.db2.gz JBMZWQQVHAOTRK-GHMZBOCLSA-N 2 1 211.353 0.655 20 0 BCADMP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558123 584783024 /nfs/dbraw/zinc/78/30/24/584783024.db2.gz VPHJNJHPSBBCFX-NWDGAFQWSA-N 2 1 241.379 0.376 20 0 BCADMP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000903576028 584784085 /nfs/dbraw/zinc/78/40/85/584784085.db2.gz YWWWCAGPWITVHK-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000903576028 584784087 /nfs/dbraw/zinc/78/40/87/584784087.db2.gz YWWWCAGPWITVHK-JTQLQIEISA-N 2 1 227.352 0.714 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716540 584791949 /nfs/dbraw/zinc/79/19/49/584791949.db2.gz OPTYMLYEQAUGHK-AVGNSLFASA-N 3 1 239.363 0.036 20 0 BCADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718375 584792270 /nfs/dbraw/zinc/79/22/70/584792270.db2.gz LNYJIKSPHIFDFG-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903718375 584792271 /nfs/dbraw/zinc/79/22/71/584792271.db2.gz LNYJIKSPHIFDFG-AGIUHOORSA-N 2 1 240.347 0.476 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729722 584793222 /nfs/dbraw/zinc/79/32/22/584793222.db2.gz RHFQPHXWUQSNFW-RWMBFGLXSA-N 2 1 240.347 0.476 20 0 BCADMP COCC(COC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903752011 584795774 /nfs/dbraw/zinc/79/57/74/584795774.db2.gz OJIPQDAOGIVZCT-CYBMUJFWSA-N 2 1 242.363 0.723 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903753699 584796241 /nfs/dbraw/zinc/79/62/41/584796241.db2.gz XDQLTOZXRHHQEZ-KXNHARMFSA-N 2 1 242.363 0.753 20 0 BCADMP O[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764269 584797365 /nfs/dbraw/zinc/79/73/65/584797365.db2.gz QQIVOEIGQYCUSQ-VXGBXAGGSA-N 2 1 212.337 0.833 20 0 BCADMP [NH3+]CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818068 584801163 /nfs/dbraw/zinc/80/11/63/584801163.db2.gz VQLNTIPTHCCTKQ-UHFFFAOYSA-N 3 1 227.352 0.180 20 0 BCADMP [NH3+]CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818068 584801164 /nfs/dbraw/zinc/80/11/64/584801164.db2.gz VQLNTIPTHCCTKQ-UHFFFAOYSA-N 3 1 227.352 0.180 20 0 BCADMP CC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805086 584802817 /nfs/dbraw/zinc/80/28/17/584802817.db2.gz LPZZGDBSZHLXNN-SRVKXCTJSA-N 2 1 212.337 0.961 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805086 584802819 /nfs/dbraw/zinc/80/28/19/584802819.db2.gz LPZZGDBSZHLXNN-SRVKXCTJSA-N 2 1 212.337 0.961 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805460 584803030 /nfs/dbraw/zinc/80/30/30/584803030.db2.gz OGDMLKLAINQXOA-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805460 584803031 /nfs/dbraw/zinc/80/30/31/584803031.db2.gz OGDMLKLAINQXOA-IJLUTSLNSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805459 584803083 /nfs/dbraw/zinc/80/30/83/584803083.db2.gz OGDMLKLAINQXOA-GRYCIOLGSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805459 584803084 /nfs/dbraw/zinc/80/30/84/584803084.db2.gz OGDMLKLAINQXOA-GRYCIOLGSA-N 2 1 228.336 0.197 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819738 584803560 /nfs/dbraw/zinc/80/35/60/584803560.db2.gz NKPKMSIWGTWDSC-LBPRGKRZSA-N 2 1 242.363 0.602 20 0 BCADMP CC[N@H+](CCC(=O)NC)CC[C@@H]1CC[NH2+]C1 ZINC000903825914 584804525 /nfs/dbraw/zinc/80/45/25/584804525.db2.gz FBVSUNWULACKID-NSHDSACASA-N 2 1 227.352 0.444 20 0 BCADMP OCC[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829149 584805481 /nfs/dbraw/zinc/80/54/81/584805481.db2.gz AUYQVYOJDBYYOS-QWHCGFSZSA-N 2 1 242.363 0.459 20 0 BCADMP OCC[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829150 584805646 /nfs/dbraw/zinc/80/56/46/584805646.db2.gz AUYQVYOJDBYYOS-STQMWFEESA-N 2 1 242.363 0.459 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC000903844029 584807540 /nfs/dbraw/zinc/80/75/40/584807540.db2.gz ZULHLLYEXIROOH-KZVJFYERSA-N 2 1 238.253 0.721 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCOC1 ZINC000903854779 584808880 /nfs/dbraw/zinc/80/88/80/584808880.db2.gz KJBNWDXVUOHVLI-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCOC1 ZINC000903854779 584808882 /nfs/dbraw/zinc/80/88/82/584808882.db2.gz KJBNWDXVUOHVLI-QJPTWQEYSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCOC1 ZINC000903854778 584808954 /nfs/dbraw/zinc/80/89/54/584808954.db2.gz KJBNWDXVUOHVLI-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCOC1 ZINC000903854778 584808955 /nfs/dbraw/zinc/80/89/55/584808955.db2.gz KJBNWDXVUOHVLI-IJLUTSLNSA-N 2 1 210.321 0.836 20 0 BCADMP Cn1cc(CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903854841 584809457 /nfs/dbraw/zinc/80/94/57/584809457.db2.gz KSFBYCJFUFOONM-CHWSQXEVSA-N 2 1 234.347 0.776 20 0 BCADMP Cn1cc(CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903854841 584809460 /nfs/dbraw/zinc/80/94/60/584809460.db2.gz KSFBYCJFUFOONM-CHWSQXEVSA-N 2 1 234.347 0.776 20 0 BCADMP COC[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])OC ZINC000903857353 584809912 /nfs/dbraw/zinc/80/99/12/584809912.db2.gz DJXPUDCDANMQCB-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP COC[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])OC ZINC000903857353 584809913 /nfs/dbraw/zinc/80/99/13/584809913.db2.gz DJXPUDCDANMQCB-SDDRHHMPSA-N 2 1 228.336 0.461 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCc1cn[nH]c1 ZINC000903859365 584811056 /nfs/dbraw/zinc/81/10/56/584811056.db2.gz MVFUHHIJTURRJK-NEPJUHHUSA-N 2 1 220.320 0.765 20 0 BCADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCc1cn[nH]c1 ZINC000903859365 584811057 /nfs/dbraw/zinc/81/10/57/584811057.db2.gz MVFUHHIJTURRJK-NEPJUHHUSA-N 2 1 220.320 0.765 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864701 584813144 /nfs/dbraw/zinc/81/31/44/584813144.db2.gz VTLQPFWAVUEKFQ-RWMBFGLXSA-N 2 1 242.363 0.587 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864701 584813145 /nfs/dbraw/zinc/81/31/45/584813145.db2.gz VTLQPFWAVUEKFQ-RWMBFGLXSA-N 2 1 242.363 0.587 20 0 BCADMP N[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872767 584815158 /nfs/dbraw/zinc/81/51/58/584815158.db2.gz BWUZUPCVMOPMOJ-RDFFEMEHSA-N 2 1 209.337 0.550 20 0 BCADMP [NH3+][C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872767 584815159 /nfs/dbraw/zinc/81/51/59/584815159.db2.gz BWUZUPCVMOPMOJ-RDFFEMEHSA-N 3 1 209.337 0.550 20 0 BCADMP [NH3+][C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872767 584815160 /nfs/dbraw/zinc/81/51/60/584815160.db2.gz BWUZUPCVMOPMOJ-RDFFEMEHSA-N 3 1 209.337 0.550 20 0 BCADMP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903875561 584816555 /nfs/dbraw/zinc/81/65/55/584816555.db2.gz QSDKAPBGMIXDDX-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903875561 584816556 /nfs/dbraw/zinc/81/65/56/584816556.db2.gz QSDKAPBGMIXDDX-RYUDHWBXSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903874670 584816596 /nfs/dbraw/zinc/81/65/96/584816596.db2.gz HJFULCOZBZESKG-AXFHLTTASA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879354 584817404 /nfs/dbraw/zinc/81/74/04/584817404.db2.gz ZGNFAKNHJCSBDD-NSHDSACASA-N 2 1 224.352 0.798 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903881465 584817687 /nfs/dbraw/zinc/81/76/87/584817687.db2.gz FMTDVUAACPTCLF-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903881465 584817688 /nfs/dbraw/zinc/81/76/88/584817688.db2.gz FMTDVUAACPTCLF-GHMZBOCLSA-N 2 1 225.336 0.196 20 0 BCADMP COC[C@@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883887 584818452 /nfs/dbraw/zinc/81/84/52/584818452.db2.gz ZYQBWAAIGITDJN-WOPDTQHZSA-N 2 1 227.352 0.034 20 0 BCADMP COC[C@@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883887 584818453 /nfs/dbraw/zinc/81/84/53/584818453.db2.gz ZYQBWAAIGITDJN-WOPDTQHZSA-N 2 1 227.352 0.034 20 0 BCADMP C[C@@H](N)[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920986 584823199 /nfs/dbraw/zinc/82/31/99/584823199.db2.gz ZGCITCNYTBJHDE-RTWBTXMESA-N 2 1 211.353 0.842 20 0 BCADMP C[C@H]1C[C@H](C[N@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951352 584830906 /nfs/dbraw/zinc/83/09/06/584830906.db2.gz WPGQUQMRBSIZJC-NWDGAFQWSA-N 2 1 249.362 0.872 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H]1CC[NH3+] ZINC000903978111 584832920 /nfs/dbraw/zinc/83/29/20/584832920.db2.gz FPCCDGGGDJMXHO-NXEZZACHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903978506 584833189 /nfs/dbraw/zinc/83/31/89/584833189.db2.gz HSRJTNKBXYHJPI-BBBLOLIVSA-N 3 1 235.322 0.804 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000903979208 584833710 /nfs/dbraw/zinc/83/37/10/584833710.db2.gz YPWFMLHQAPUHDW-LOWDOPEQSA-N 3 1 225.380 0.820 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903963705 584833734 /nfs/dbraw/zinc/83/37/34/584833734.db2.gz GLFBJNFFACWDBB-WRWGMCAJSA-N 2 1 211.353 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000903963704 584833765 /nfs/dbraw/zinc/83/37/65/584833765.db2.gz GLFBJNFFACWDBB-WISYIIOYSA-N 2 1 211.353 0.572 20 0 BCADMP COC(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903964111 584834050 /nfs/dbraw/zinc/83/40/50/584834050.db2.gz LZGSOWHCWQORIJ-MWLCHTKSSA-N 2 1 241.335 0.415 20 0 BCADMP COCC(C)(C)C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964644 584834267 /nfs/dbraw/zinc/83/42/67/584834267.db2.gz SPZZPCGDFAQYAS-NXEZZACHSA-N 2 1 200.326 0.857 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000903966721 584834535 /nfs/dbraw/zinc/83/45/35/584834535.db2.gz AIGYUHVBHPRRIR-NOOOWODRSA-N 3 1 211.353 0.701 20 0 BCADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967992 584834927 /nfs/dbraw/zinc/83/49/27/584834927.db2.gz OKDGXFHZKCFFKI-FVCCEPFGSA-N 3 1 225.380 0.962 20 0 BCADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967985 584835233 /nfs/dbraw/zinc/83/52/33/584835233.db2.gz ODTHHQHFLYUMJR-NEPJUHHUSA-N 3 1 225.380 0.916 20 0 BCADMP C[C@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301536 584861321 /nfs/dbraw/zinc/86/13/21/584861321.db2.gz NCNOCUAILXARII-YPMHNXCESA-N 2 1 239.363 0.573 20 0 BCADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000904302716 584861735 /nfs/dbraw/zinc/86/17/35/584861735.db2.gz YBZGHARSHFKOBV-MVWJERBFSA-N 2 1 247.346 0.618 20 0 BCADMP CCC[C@@H]1CNCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301714 584862050 /nfs/dbraw/zinc/86/20/50/584862050.db2.gz PNLZWMAZEKTWJX-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP CCC[C@@H]1C[NH2+]CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301714 584862051 /nfs/dbraw/zinc/86/20/51/584862051.db2.gz PNLZWMAZEKTWJX-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000904315999 584862605 /nfs/dbraw/zinc/86/26/05/584862605.db2.gz IFLQHNSDFDIWJC-GRYCIOLGSA-N 2 1 240.347 0.951 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904310212 584863015 /nfs/dbraw/zinc/86/30/15/584863015.db2.gz YBLZQTHEZPYIFW-WCQYABFASA-N 2 1 240.347 0.871 20 0 BCADMP CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324493 584865654 /nfs/dbraw/zinc/86/56/54/584865654.db2.gz IHRYYIICHOYMDX-PHIMTYICSA-N 2 1 248.392 0.479 20 0 BCADMP C[C@@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329074 584865793 /nfs/dbraw/zinc/86/57/93/584865793.db2.gz VBORNSOZTMVKEW-ZYHUDNBSSA-N 2 1 240.351 0.119 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CCC[NH2+]C1 ZINC000904329074 584865795 /nfs/dbraw/zinc/86/57/95/584865795.db2.gz VBORNSOZTMVKEW-ZYHUDNBSSA-N 2 1 240.351 0.119 20 0 BCADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904333839 584866855 /nfs/dbraw/zinc/86/68/55/584866855.db2.gz HQKDBOPPRBIGQR-UTUOFQBUSA-N 3 1 211.353 0.785 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1C ZINC000904342072 584866985 /nfs/dbraw/zinc/86/69/85/584866985.db2.gz WOJCJDMHXRTGFZ-KKOKHZNYSA-N 2 1 211.353 0.748 20 0 BCADMP COC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904340964 584866998 /nfs/dbraw/zinc/86/69/98/584866998.db2.gz GTAULHRCDUABSQ-SFGNSQDASA-N 2 1 212.293 0.265 20 0 BCADMP CC[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343772 584867687 /nfs/dbraw/zinc/86/76/87/584867687.db2.gz WKMQPKYUXOYVEX-YIZRAAEISA-N 2 1 240.269 0.969 20 0 BCADMP CCCN1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904345113 584867749 /nfs/dbraw/zinc/86/77/49/584867749.db2.gz CORHXZZTBKXOFD-TXEJJXNPSA-N 2 1 239.363 0.668 20 0 BCADMP C[C@@]1(C[N@H+]2CC[C@@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343608 584867890 /nfs/dbraw/zinc/86/78/90/584867890.db2.gz WEHUBNAJENOFKE-CHWSQXEVSA-N 2 1 249.362 0.915 20 0 BCADMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1CCO ZINC000904345168 584867933 /nfs/dbraw/zinc/86/79/33/584867933.db2.gz DULVKCCONNISIK-TXEJJXNPSA-N 2 1 241.379 0.112 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@H]2CCO)C1 ZINC000904346420 584868332 /nfs/dbraw/zinc/86/83/32/584868332.db2.gz UJOSMPQQUIVZDV-OUAUKWLOSA-N 2 1 230.377 0.524 20 0 BCADMP C[C@@H]1[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345658 584868552 /nfs/dbraw/zinc/86/85/52/584868552.db2.gz IGDKWMGYZHPLQK-KXNHARMFSA-N 2 1 211.353 0.748 20 0 BCADMP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347948 584868564 /nfs/dbraw/zinc/86/85/64/584868564.db2.gz LBGOBSJRFYWESM-GCHJQGSQSA-N 2 1 237.347 0.310 20 0 BCADMP COCCO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904346358 584868573 /nfs/dbraw/zinc/86/85/73/584868573.db2.gz RKSWUQYXRDPGHM-TUAOUCFPSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345659 584868594 /nfs/dbraw/zinc/86/85/94/584868594.db2.gz IGDKWMGYZHPLQK-WHOHXGKFSA-N 2 1 211.353 0.748 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349846 584869137 /nfs/dbraw/zinc/86/91/37/584869137.db2.gz DEAFGCMIFNWSJE-NNYUYHANSA-N 3 1 209.337 0.408 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349846 584869138 /nfs/dbraw/zinc/86/91/38/584869138.db2.gz DEAFGCMIFNWSJE-NNYUYHANSA-N 2 1 209.337 0.408 20 0 BCADMP C[C@@H]([NH2+]Cc1ccc(N)nn1)[C@H]1CCC[NH2+]C1 ZINC000904353823 584870143 /nfs/dbraw/zinc/87/01/43/584870143.db2.gz RWGWPSQTALOGTA-ZJUUUORDSA-N 2 1 235.335 0.537 20 0 BCADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904354823 584870920 /nfs/dbraw/zinc/87/09/20/584870920.db2.gz HDSLJBBJIPTOCX-FRRDWIJNSA-N 3 1 225.380 0.964 20 0 BCADMP [NH3+]C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904359085 584871712 /nfs/dbraw/zinc/87/17/12/584871712.db2.gz YOIVSQMQVLIGJM-WCQGTBRESA-N 3 1 211.353 0.831 20 0 BCADMP C[C@@]1(C[NH2+]CC(=O)NCC2CC2)CCC[NH2+]C1 ZINC000904369086 584872570 /nfs/dbraw/zinc/87/25/70/584872570.db2.gz XEBRAWDPORIPGO-CYBMUJFWSA-N 2 1 239.363 0.492 20 0 BCADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371329 584873113 /nfs/dbraw/zinc/87/31/13/584873113.db2.gz MSEMUFGYVAHBCE-FIQHERPVSA-N 3 1 211.353 0.640 20 0 BCADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371330 584873153 /nfs/dbraw/zinc/87/31/53/584873153.db2.gz MSEMUFGYVAHBCE-KKOKHZNYSA-N 3 1 211.353 0.640 20 0 BCADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904374358 584873814 /nfs/dbraw/zinc/87/38/14/584873814.db2.gz QPWUGPNQVZBOIC-RVMXOQNASA-N 3 1 223.364 0.785 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000904373137 584873922 /nfs/dbraw/zinc/87/39/22/584873922.db2.gz BLCBBZAEVYFSRY-GRYCIOLGSA-N 2 1 235.335 0.652 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000904372490 584873966 /nfs/dbraw/zinc/87/39/66/584873966.db2.gz CTBPSPKKFYRRLG-TUAOUCFPSA-N 3 1 209.337 0.552 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000904372490 584873967 /nfs/dbraw/zinc/87/39/67/584873967.db2.gz CTBPSPKKFYRRLG-TUAOUCFPSA-N 3 1 209.337 0.552 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Nc3ncccn3)C2)C1 ZINC000904374545 584874028 /nfs/dbraw/zinc/87/40/28/584874028.db2.gz TWNSQOFVRYDMGC-GRYCIOLGSA-N 2 1 247.346 0.700 20 0 BCADMP CCOC(=O)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904389940 584875598 /nfs/dbraw/zinc/87/55/98/584875598.db2.gz YWVWIBJLIZJTIX-GARJFASQSA-N 2 1 226.320 0.609 20 0 BCADMP COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378707 584875945 /nfs/dbraw/zinc/87/59/45/584875945.db2.gz JEXIXXDZMXRPIM-NGZCFLSTSA-N 2 1 232.299 0.605 20 0 BCADMP C[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380649 584876608 /nfs/dbraw/zinc/87/66/08/584876608.db2.gz FQQUXOFLGFMBRM-WCQYABFASA-N 3 1 240.395 0.140 20 0 BCADMP C[C@H]1CC[C@@H](NC2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC000904380649 584876609 /nfs/dbraw/zinc/87/66/09/584876609.db2.gz FQQUXOFLGFMBRM-WCQYABFASA-N 2 1 240.395 0.140 20 0 BCADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904379430 584876846 /nfs/dbraw/zinc/87/68/46/584876846.db2.gz UWGUQNIHDCUSQG-NNYUYHANSA-N 2 1 240.347 0.855 20 0 BCADMP [NH3+][C@H]1C[C@@H](CN[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000904384695 584877527 /nfs/dbraw/zinc/87/75/27/584877527.db2.gz MEBUZRGPAKAOEN-WHOHXGKFSA-N 2 1 209.337 0.598 20 0 BCADMP C[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409587 584878956 /nfs/dbraw/zinc/87/89/56/584878956.db2.gz CWTRJHVOHLVTIE-UWVGGRQHSA-N 2 1 235.335 0.476 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC000904411228 584879646 /nfs/dbraw/zinc/87/96/46/584879646.db2.gz KEHIRVHIURTROZ-GHMZBOCLSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC000904411231 584879813 /nfs/dbraw/zinc/87/98/13/584879813.db2.gz KEHIRVHIURTROZ-WDEREUQCSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1C[NH3+] ZINC000904411924 584879835 /nfs/dbraw/zinc/87/98/35/584879835.db2.gz QFDAXPVLBUBSJC-ZJUUUORDSA-N 2 1 223.324 0.232 20 0 BCADMP C1=C(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)COCC1 ZINC000904420212 584881911 /nfs/dbraw/zinc/88/19/11/584881911.db2.gz GTGLNCQDRSHKDH-QWHCGFSZSA-N 2 1 222.332 0.874 20 0 BCADMP C([N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904420670 584882232 /nfs/dbraw/zinc/88/22/32/584882232.db2.gz TUDQHKGFADKXLA-LOWDOPEQSA-N 3 1 221.348 0.137 20 0 BCADMP C([N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904420670 584882233 /nfs/dbraw/zinc/88/22/33/584882233.db2.gz TUDQHKGFADKXLA-LOWDOPEQSA-N 3 1 221.348 0.137 20 0 BCADMP Cn1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000839181890 585096868 /nfs/dbraw/zinc/09/68/68/585096868.db2.gz KAADDWBFUFEURY-LLVKDONJSA-N 2 1 237.351 0.637 20 0 BCADMP CN(C)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000754016579 585275415 /nfs/dbraw/zinc/27/54/15/585275415.db2.gz XUYALPPWKZXEGZ-BETUJISGSA-N 2 1 246.358 0.799 20 0 BCADMP CN(C)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000754016579 585275416 /nfs/dbraw/zinc/27/54/16/585275416.db2.gz XUYALPPWKZXEGZ-BETUJISGSA-N 2 1 246.358 0.799 20 0 BCADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC1 ZINC000763042913 585442242 /nfs/dbraw/zinc/44/22/42/585442242.db2.gz DQUHSBCHZSRHSV-LLVKDONJSA-N 2 1 239.363 0.681 20 0 BCADMP c1nn2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770393307 585573666 /nfs/dbraw/zinc/57/36/66/585573666.db2.gz BQPTYBGPNCYYJO-TXEJJXNPSA-N 2 1 242.326 0.986 20 0 BCADMP c1nn2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770393307 585573667 /nfs/dbraw/zinc/57/36/67/585573667.db2.gz BQPTYBGPNCYYJO-TXEJJXNPSA-N 2 1 242.326 0.986 20 0 BCADMP CC[NH+](CC)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000773195336 585633429 /nfs/dbraw/zinc/63/34/29/585633429.db2.gz XAYGVXRGHBSCLD-GFCCVEGCSA-N 2 1 241.379 0.929 20 0 BCADMP O=C1C[N@@H+](CCCn2ccnc2)CCCN1 ZINC000775965069 585688524 /nfs/dbraw/zinc/68/85/24/585688524.db2.gz WFNYJGFHYMWQGE-UHFFFAOYSA-N 2 1 222.292 0.095 20 0 BCADMP O=C1CN(CCCn2ccnc2)CCCN1 ZINC000775965069 585688525 /nfs/dbraw/zinc/68/85/25/585688525.db2.gz WFNYJGFHYMWQGE-UHFFFAOYSA-N 2 1 222.292 0.095 20 0 BCADMP C[N@H+]1CCC[C@@H]2CN(Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703905 /nfs/dbraw/zinc/70/39/05/585703905.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 1 235.335 0.652 20 0 BCADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cnnc3)C2)CC1 ZINC000776763885 585704002 /nfs/dbraw/zinc/70/40/02/585704002.db2.gz SUTQDMUDWSNSCI-ZDUSSCGKSA-N 2 1 249.362 0.899 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776759781 585704632 /nfs/dbraw/zinc/70/46/32/585704632.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 1 249.362 0.899 20 0 BCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776759782 585704817 /nfs/dbraw/zinc/70/48/17/585704817.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 1 249.362 0.899 20 0 BCADMP c1cn([C@H]2CCCN(CC3OCCO3)C2)cn1 ZINC000777575766 585715557 /nfs/dbraw/zinc/71/55/57/585715557.db2.gz JEBCSMHTDQRDEJ-NSHDSACASA-N 2 1 237.303 0.893 20 0 BCADMP C[C@H](CCO)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000779346414 585752144 /nfs/dbraw/zinc/75/21/44/585752144.db2.gz WNKLHWLSORAASX-CYBMUJFWSA-N 2 1 243.395 0.375 20 0 BCADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000779404891 585753615 /nfs/dbraw/zinc/75/36/15/585753615.db2.gz MOHLAPZTZSZWFN-CHWSQXEVSA-N 2 1 244.379 0.584 20 0 BCADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821574 /nfs/dbraw/zinc/82/15/74/585821574.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821575 /nfs/dbraw/zinc/82/15/75/585821575.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821576 /nfs/dbraw/zinc/82/15/76/585821576.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 2 1 224.348 0.785 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782611801 585822322 /nfs/dbraw/zinc/82/23/22/585822322.db2.gz FHUUXRRUSLPBKK-QWHCGFSZSA-N 2 1 235.331 0.896 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782611801 585822323 /nfs/dbraw/zinc/82/23/23/585822323.db2.gz FHUUXRRUSLPBKK-QWHCGFSZSA-N 2 1 235.331 0.896 20 0 BCADMP COC(C[N@H+]1CC[C@@H](c2nccn2C)C1)OC ZINC000787993099 585918454 /nfs/dbraw/zinc/91/84/54/585918454.db2.gz VEDRQFOWNNAVMK-SNVBAGLBSA-N 2 1 239.319 0.828 20 0 BCADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCO ZINC000795143820 586069218 /nfs/dbraw/zinc/06/92/18/586069218.db2.gz NHDOKTNJPOHJHU-NSHDSACASA-N 2 1 221.304 0.584 20 0 BCADMP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796216183 586099068 /nfs/dbraw/zinc/09/90/68/586099068.db2.gz CHDLTOOCIKAQHE-UPJWGTAASA-N 2 1 242.363 0.552 20 0 BCADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796216183 586099069 /nfs/dbraw/zinc/09/90/69/586099069.db2.gz CHDLTOOCIKAQHE-UPJWGTAASA-N 2 1 242.363 0.552 20 0 BCADMP CN(C)c1cc[nH+]c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000814872082 586640870 /nfs/dbraw/zinc/64/08/70/586640870.db2.gz RQQQAXRDYRNCFX-LLVKDONJSA-N 2 1 249.362 0.931 20 0 BCADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000817933832 586843158 /nfs/dbraw/zinc/84/31/58/586843158.db2.gz URPLXMSIPHXPLP-CMPLNLGQSA-N 2 1 237.351 0.335 20 0 BCADMP C[N@@H+](CCCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC000819360191 586957165 /nfs/dbraw/zinc/95/71/65/586957165.db2.gz APGHYDRAABBNMG-UHFFFAOYSA-N 2 1 248.392 0.495 20 0 BCADMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC000819366516 586957687 /nfs/dbraw/zinc/95/76/87/586957687.db2.gz RDGQMJLSBMVOMH-LLVKDONJSA-N 2 1 248.392 0.353 20 0 BCADMP C[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000820294971 587042235 /nfs/dbraw/zinc/04/22/35/587042235.db2.gz FDROSQQLOYLKFW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000820294971 587042237 /nfs/dbraw/zinc/04/22/37/587042237.db2.gz FDROSQQLOYLKFW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000820294971 587042239 /nfs/dbraw/zinc/04/22/39/587042239.db2.gz FDROSQQLOYLKFW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000820294971 587042241 /nfs/dbraw/zinc/04/22/41/587042241.db2.gz FDROSQQLOYLKFW-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP O=C(C[NH+]1CCCC1)N1CCc2nc[nH]c2C1 ZINC000823006073 587197547 /nfs/dbraw/zinc/19/75/47/587197547.db2.gz MOPVTRDNWLIXPP-UHFFFAOYSA-N 2 1 234.303 0.390 20 0 BCADMP O=C(CN1CCCC1)N1CCc2[nH]cnc2C1 ZINC000823006073 587197548 /nfs/dbraw/zinc/19/75/48/587197548.db2.gz MOPVTRDNWLIXPP-UHFFFAOYSA-N 2 1 234.303 0.390 20 0 BCADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC000823002269 587197560 /nfs/dbraw/zinc/19/75/60/587197560.db2.gz SEHRYLFYZXDEGR-LBPRGKRZSA-N 2 1 241.379 0.927 20 0 BCADMP C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000823101859 587202801 /nfs/dbraw/zinc/20/28/01/587202801.db2.gz WKLJTARHKTWRQZ-NWDGAFQWSA-N 2 1 237.347 0.245 20 0 BCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C[NH+]1CCCC1 ZINC000823753466 587239883 /nfs/dbraw/zinc/23/98/83/587239883.db2.gz PEEOQKBYCYLKCB-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000827591796 587391484 /nfs/dbraw/zinc/39/14/84/587391484.db2.gz YHVBRJNVMKXCDZ-UHFFFAOYSA-N 2 1 241.379 0.927 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C(C)C ZINC000828318445 587434744 /nfs/dbraw/zinc/43/47/44/587434744.db2.gz PSYCDEGYJMIBRC-GFCCVEGCSA-N 2 1 241.379 0.960 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000828965329 587476482 /nfs/dbraw/zinc/47/64/82/587476482.db2.gz JCNOCBNVKDNDMI-ZJUUUORDSA-N 2 1 236.319 0.470 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)CC[NH3+] ZINC000828965114 587476525 /nfs/dbraw/zinc/47/65/25/587476525.db2.gz DQZVQPMGIHBREW-UHFFFAOYSA-N 2 1 224.308 0.472 20 0 BCADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](C)[NH3+] ZINC000828965935 587476536 /nfs/dbraw/zinc/47/65/36/587476536.db2.gz RHUOMIFGSFESNQ-VIFPVBQESA-N 2 1 224.308 0.470 20 0 BCADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000829478883 587499800 /nfs/dbraw/zinc/49/98/00/587499800.db2.gz NDOZNJHVTXVUHT-GFCCVEGCSA-N 2 1 241.379 0.962 20 0 BCADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000830136071 587538253 /nfs/dbraw/zinc/53/82/53/587538253.db2.gz VELXOEXQUWXXNH-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000830136071 587538254 /nfs/dbraw/zinc/53/82/54/587538254.db2.gz VELXOEXQUWXXNH-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830136071 587538256 /nfs/dbraw/zinc/53/82/56/587538256.db2.gz VELXOEXQUWXXNH-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830136071 587538257 /nfs/dbraw/zinc/53/82/57/587538257.db2.gz VELXOEXQUWXXNH-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[N@H+]1C ZINC000830463207 587552198 /nfs/dbraw/zinc/55/21/98/587552198.db2.gz LHDYPEXRVQJWBU-SCVCMEIPSA-N 2 1 243.326 0.287 20 0 BCADMP C[C@H]1CCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000831970290 587640072 /nfs/dbraw/zinc/64/00/72/587640072.db2.gz BROFNXQTAJNSQU-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971062 587640353 /nfs/dbraw/zinc/64/03/53/587640353.db2.gz QLBIFGLQJQDKQK-LLVKDONJSA-N 2 1 239.363 0.587 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970688 587640396 /nfs/dbraw/zinc/64/03/96/587640396.db2.gz KKISVQBPBABZIM-SNVBAGLBSA-N 2 1 227.352 0.572 20 0 BCADMP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971264 587640576 /nfs/dbraw/zinc/64/05/76/587640576.db2.gz UPEAVNDDJBAVLO-VWYCJHECSA-N 2 1 227.352 0.570 20 0 BCADMP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970981 587640779 /nfs/dbraw/zinc/64/07/79/587640779.db2.gz PARDLFWTBPFRRI-LBPRGKRZSA-N 2 1 241.379 0.975 20 0 BCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@H+]1C ZINC000832452824 587660667 /nfs/dbraw/zinc/66/06/67/587660667.db2.gz XNVLGVZKCDKMPE-GRYCIOLGSA-N 2 1 239.363 0.524 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000834419658 587754574 /nfs/dbraw/zinc/75/45/74/587754574.db2.gz FJUXZKHCMRPNNX-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000834419666 587755052 /nfs/dbraw/zinc/75/50/52/587755052.db2.gz HBYANTUPCLFHNS-NXEZZACHSA-N 2 1 213.325 0.004 20 0 BCADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CC[NH3+] ZINC000834452143 587755496 /nfs/dbraw/zinc/75/54/96/587755496.db2.gz GQCSCARFTLHYEX-SNVBAGLBSA-N 2 1 238.335 0.825 20 0 BCADMP CC1([C@@H]2CCC[N@@H+](CCC[NH3+])C2)OCCO1 ZINC000841011429 587935470 /nfs/dbraw/zinc/93/54/70/587935470.db2.gz IHPLIQLFDUZPRO-LLVKDONJSA-N 2 1 228.336 0.810 20 0 BCADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000841831018 587976426 /nfs/dbraw/zinc/97/64/26/587976426.db2.gz DJRGPWUVTNAXKJ-ONGXEEELSA-N 2 1 240.351 0.117 20 0 BCADMP C[C@@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842472164 588029478 /nfs/dbraw/zinc/02/94/78/588029478.db2.gz TXWGVRXAONMOIF-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@H]1C(=O)NCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472164 588029480 /nfs/dbraw/zinc/02/94/80/588029480.db2.gz TXWGVRXAONMOIF-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000843081077 588079964 /nfs/dbraw/zinc/07/99/64/588079964.db2.gz OOBPWJVVWDNQBK-CABZTGNLSA-N 2 1 242.294 0.029 20 0 BCADMP CC1CC[NH+](Cc2nc(CC[NH3+])no2)CC1 ZINC000843131738 588085563 /nfs/dbraw/zinc/08/55/63/588085563.db2.gz RDSFLDZZPIABRP-UHFFFAOYSA-N 2 1 224.308 0.803 20 0 BCADMP O=C1OCC[C@@H]1[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843386592 588105304 /nfs/dbraw/zinc/10/53/04/588105304.db2.gz AVUGDDLCZRXBMD-SRVKXCTJSA-N 2 1 238.331 0.623 20 0 BCADMP Cn1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000843386745 588105416 /nfs/dbraw/zinc/10/54/16/588105416.db2.gz CHYUNGLZHDUDDG-NWDGAFQWSA-N 2 1 249.362 0.637 20 0 BCADMP CC[NH2+]CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000844170725 588171630 /nfs/dbraw/zinc/17/16/30/588171630.db2.gz AOYHPFQGWMLTCK-UHFFFAOYSA-N 2 1 241.379 0.977 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217738 588260379 /nfs/dbraw/zinc/26/03/79/588260379.db2.gz NWDSLTCQZUBECU-NWDGAFQWSA-N 3 1 229.368 0.554 20 0 BCADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846217738 588260380 /nfs/dbraw/zinc/26/03/80/588260380.db2.gz NWDSLTCQZUBECU-NWDGAFQWSA-N 3 1 229.368 0.554 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217737 588260496 /nfs/dbraw/zinc/26/04/96/588260496.db2.gz NWDSLTCQZUBECU-NEPJUHHUSA-N 3 1 229.368 0.554 20 0 BCADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000846217737 588260497 /nfs/dbraw/zinc/26/04/97/588260497.db2.gz NWDSLTCQZUBECU-NEPJUHHUSA-N 3 1 229.368 0.554 20 0 BCADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846220731 588261165 /nfs/dbraw/zinc/26/11/65/588261165.db2.gz OKWPKXRSDGYGCQ-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846220731 588261166 /nfs/dbraw/zinc/26/11/66/588261166.db2.gz OKWPKXRSDGYGCQ-NEPJUHHUSA-N 3 1 211.353 0.799 20 0 BCADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000846686688 588282840 /nfs/dbraw/zinc/28/28/40/588282840.db2.gz LRAGZBRWNKUOSW-MNOVXSKESA-N 2 1 227.352 0.428 20 0 BCADMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000848992730 588427940 /nfs/dbraw/zinc/42/79/40/588427940.db2.gz RGMHLSAIGWNMIG-VIFPVBQESA-N 2 1 210.325 0.557 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848996241 588429036 /nfs/dbraw/zinc/42/90/36/588429036.db2.gz MVJOKQPTPYPZMK-NSHDSACASA-N 2 1 224.352 0.947 20 0 BCADMP CCOCCCNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996728 588429368 /nfs/dbraw/zinc/42/93/68/588429368.db2.gz VKGSCUACFFMGDL-SNVBAGLBSA-N 2 1 230.356 0.477 20 0 BCADMP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+](C)C ZINC000848996666 588429407 /nfs/dbraw/zinc/42/94/07/588429407.db2.gz OADTWKPHUOTBPU-VHSXEESVSA-N 2 1 228.340 0.182 20 0 BCADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCOC)C1 ZINC000848997505 588429551 /nfs/dbraw/zinc/42/95/51/588429551.db2.gz MRRDMZPKYGNNLQ-LLVKDONJSA-N 2 1 242.367 0.479 20 0 BCADMP C[N@H+](CCNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000848997430 588429580 /nfs/dbraw/zinc/42/95/80/588429580.db2.gz HBSXKUDXUMJKDR-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP C[N@@H+](CCNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000848997430 588429581 /nfs/dbraw/zinc/42/95/81/588429581.db2.gz HBSXKUDXUMJKDR-UHFFFAOYSA-N 2 1 224.352 0.995 20 0 BCADMP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848996667 588429724 /nfs/dbraw/zinc/42/97/24/588429724.db2.gz OADTWKPHUOTBPU-ZJUUUORDSA-N 2 1 228.340 0.182 20 0 BCADMP CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000849004009 588431604 /nfs/dbraw/zinc/43/16/04/588431604.db2.gz SSQAYIBGVNMPEZ-JTQLQIEISA-N 2 1 230.381 0.558 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005408 588432167 /nfs/dbraw/zinc/43/21/67/588432167.db2.gz QQRVZRPOPOJTLU-SNVBAGLBSA-N 2 1 210.325 0.558 20 0 BCADMP CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000849006008 588432721 /nfs/dbraw/zinc/43/27/21/588432721.db2.gz KMCILOLFACBBJD-SNVBAGLBSA-N 2 1 212.341 0.995 20 0 BCADMP COC1CC[NH+](CCNC(=[NH2+])N(C)C)CC1 ZINC000849011880 588435453 /nfs/dbraw/zinc/43/54/53/588435453.db2.gz VTQJPUBBMKPQGA-UHFFFAOYSA-N 2 1 228.340 0.183 20 0 BCADMP CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012643 588435499 /nfs/dbraw/zinc/43/54/99/588435499.db2.gz ICJJKTBXAQMDOI-SNVBAGLBSA-N 2 1 212.341 0.708 20 0 BCADMP CC(C)NC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028492 588441858 /nfs/dbraw/zinc/44/18/58/588441858.db2.gz ZJTRIYNFCOLYSF-UHFFFAOYSA-N 2 1 243.399 0.392 20 0 BCADMP CC(C)NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028492 588441859 /nfs/dbraw/zinc/44/18/59/588441859.db2.gz ZJTRIYNFCOLYSF-UHFFFAOYSA-N 2 1 243.399 0.392 20 0 BCADMP CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046511 588450403 /nfs/dbraw/zinc/45/04/03/588450403.db2.gz ICBVQUHRXUJPRH-UHFFFAOYSA-N 2 1 200.330 0.708 20 0 BCADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)OC)[C@H](C)C1 ZINC000850480360 588551044 /nfs/dbraw/zinc/55/10/44/588551044.db2.gz QGXLQAALRPQFES-VXGBXAGGSA-N 2 1 229.368 0.800 20 0 BCADMP CN(Cc1cnc[nH]1)C[C@H](O)C[NH+]1CCCC1 ZINC000852283832 588675802 /nfs/dbraw/zinc/67/58/02/588675802.db2.gz CBBMSYBKIZWQTL-LBPRGKRZSA-N 2 1 238.335 0.298 20 0 BCADMP FC(F)OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000852746592 588698926 /nfs/dbraw/zinc/69/89/26/588698926.db2.gz LMXOKRDDRNJELV-SNVBAGLBSA-N 2 1 220.263 0.911 20 0 BCADMP FC(F)OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000852746592 588698927 /nfs/dbraw/zinc/69/89/27/588698927.db2.gz LMXOKRDDRNJELV-SNVBAGLBSA-N 2 1 220.263 0.911 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOC(F)F)C1 ZINC000852747017 588698952 /nfs/dbraw/zinc/69/89/52/588698952.db2.gz UNOWJWFYPBZYFW-SFYZADRCSA-N 2 1 208.252 0.895 20 0 BCADMP N[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1F ZINC000852762376 588700815 /nfs/dbraw/zinc/70/08/15/588700815.db2.gz LIHJMDKMTKWLQM-GHMZBOCLSA-N 2 1 217.332 0.877 20 0 BCADMP [NH3+]CCCCCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852762376 588700816 /nfs/dbraw/zinc/70/08/16/588700816.db2.gz LIHJMDKMTKWLQM-GHMZBOCLSA-N 2 1 217.332 0.877 20 0 BCADMP C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1cnc[nH]1 ZINC000852836724 588707258 /nfs/dbraw/zinc/70/72/58/588707258.db2.gz HZZBLXGDLNCZQY-MRVPVSSYSA-N 2 1 222.292 0.509 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864042 588709125 /nfs/dbraw/zinc/70/91/25/588709125.db2.gz VVMSWMCBCFQVJE-UHFFFAOYSA-N 2 1 248.330 0.618 20 0 BCADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000852881626 588711008 /nfs/dbraw/zinc/71/10/08/588711008.db2.gz YSLUPUFGRXUHGI-SFYZADRCSA-N 2 1 235.278 0.050 20 0 BCADMP C[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000852921650 588713303 /nfs/dbraw/zinc/71/33/03/588713303.db2.gz PVKNXPWVKJYCJO-JTQLQIEISA-N 2 1 238.335 0.696 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000861564036 589168474 /nfs/dbraw/zinc/16/84/74/589168474.db2.gz HBNPJVGYQJOXGJ-ZJUUUORDSA-N 2 1 228.340 0.069 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000861564034 589168557 /nfs/dbraw/zinc/16/85/57/589168557.db2.gz HBNPJVGYQJOXGJ-VHSXEESVSA-N 2 1 228.340 0.069 20 0 BCADMP CC[N@@H+](CCNC(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861569786 589168598 /nfs/dbraw/zinc/16/85/98/589168598.db2.gz DVCQYSYJAKUWNS-JTQLQIEISA-N 2 1 242.367 0.459 20 0 BCADMP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000861582472 589168729 /nfs/dbraw/zinc/16/87/29/589168729.db2.gz XDPYNZIYBGOGFP-UWVGGRQHSA-N 2 1 240.351 0.212 20 0 BCADMP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000861574076 589168740 /nfs/dbraw/zinc/16/87/40/589168740.db2.gz OLWNGCGRCYNHKY-NXEZZACHSA-N 2 1 242.367 0.458 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000864451273 589364581 /nfs/dbraw/zinc/36/45/81/589364581.db2.gz HAPUIUNFMOHQRI-UTLUCORTSA-N 2 1 210.325 0.460 20 0 BCADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864451789 589364981 /nfs/dbraw/zinc/36/49/81/589364981.db2.gz JSQJALGPQPMFQM-SCVCMEIPSA-N 2 1 236.363 0.993 20 0 BCADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864451780 589365132 /nfs/dbraw/zinc/36/51/32/589365132.db2.gz JSQJALGPQPMFQM-CKYFFXLPSA-N 2 1 236.363 0.993 20 0 BCADMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453718 589365901 /nfs/dbraw/zinc/36/59/01/589365901.db2.gz BCYOBBSABHOTLI-MNOVXSKESA-N 2 1 242.367 0.477 20 0 BCADMP NC(=O)Cc1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000866684886 589511867 /nfs/dbraw/zinc/51/18/67/589511867.db2.gz VSNCJNMEDXESPT-UHFFFAOYSA-N 2 1 247.342 0.421 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704014 589513461 /nfs/dbraw/zinc/51/34/61/589513461.db2.gz NUKIBUGMNUFISW-SRVKXCTJSA-N 2 1 244.404 0.642 20 0 BCADMP [NH3+]CCOCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704730 589513782 /nfs/dbraw/zinc/51/37/82/589513782.db2.gz XDOAQMJBUJKQSI-QWRGUYRKSA-N 2 1 230.377 0.647 20 0 BCADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704804 589514229 /nfs/dbraw/zinc/51/42/29/589514229.db2.gz YDTKBFBPPVYHSB-PWSUYJOCSA-N 2 1 230.352 0.050 20 0 BCADMP CN(C)C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708155 589514449 /nfs/dbraw/zinc/51/44/49/589514449.db2.gz PTCMQEXMIGDPJG-ZDUSSCGKSA-N 2 1 241.379 0.772 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870913898 589696739 /nfs/dbraw/zinc/69/67/39/589696739.db2.gz FNZBKUXHAHJUPC-TXEJJXNPSA-N 2 1 239.363 0.668 20 0 BCADMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870941276 589697090 /nfs/dbraw/zinc/69/70/90/589697090.db2.gz SVZNHVWBZKGNRT-ZKCHVHJHSA-N 2 1 235.278 0.214 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]21 ZINC000870981559 589704356 /nfs/dbraw/zinc/70/43/56/589704356.db2.gz JKQKFEPAPUHXPJ-MNOVXSKESA-N 2 1 239.363 0.524 20 0 BCADMP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870982662 589705144 /nfs/dbraw/zinc/70/51/44/589705144.db2.gz OITBNNSUGFSMAR-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP COCCN(C)C(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000871604086 589774042 /nfs/dbraw/zinc/77/40/42/589774042.db2.gz SKYYTACBJLCSRI-JTQLQIEISA-N 2 1 242.367 0.572 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000871604059 589774275 /nfs/dbraw/zinc/77/42/75/589774275.db2.gz RKCMLWCGCGHTCQ-UHFFFAOYSA-N 2 1 228.340 0.183 20 0 BCADMP COCCN(C)C(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000871604059 589774278 /nfs/dbraw/zinc/77/42/78/589774278.db2.gz RKCMLWCGCGHTCQ-UHFFFAOYSA-N 2 1 228.340 0.183 20 0 BCADMP [NH3+][C@@H](CC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000123864560 589830223 /nfs/dbraw/zinc/83/02/23/589830223.db2.gz OMDFRZVOWFLJQX-LBPRGKRZSA-N 2 1 237.347 0.420 20 0 BCADMP FC(F)[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000872146475 589884849 /nfs/dbraw/zinc/88/48/49/589884849.db2.gz OUBIXQALJQIPPW-UWVGGRQHSA-N 2 1 234.290 0.952 20 0 BCADMP C[C@@H](c1nnnn1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155867 589885740 /nfs/dbraw/zinc/88/57/40/589885740.db2.gz ZAKVYHUOKOVXDS-JTQLQIEISA-N 2 1 240.355 0.722 20 0 BCADMP C[C@@H](c1nnnn1C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155867 589885743 /nfs/dbraw/zinc/88/57/43/589885743.db2.gz ZAKVYHUOKOVXDS-JTQLQIEISA-N 2 1 240.355 0.722 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123989579 589889423 /nfs/dbraw/zinc/88/94/23/589889423.db2.gz WGMDBGRMXGWKEA-JQWIXIFHSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873202132 589993095 /nfs/dbraw/zinc/99/30/95/589993095.db2.gz UPOZZHPGXQDARS-BDAKNGLRSA-N 2 1 221.308 0.228 20 0 BCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873202132 589993100 /nfs/dbraw/zinc/99/31/00/589993100.db2.gz UPOZZHPGXQDARS-BDAKNGLRSA-N 2 1 221.308 0.228 20 0 BCADMP Nc1cnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000873213350 589996833 /nfs/dbraw/zinc/99/68/33/589996833.db2.gz WFDAYWADWKESPM-BDAKNGLRSA-N 2 1 221.308 0.418 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000873217682 589997814 /nfs/dbraw/zinc/99/78/14/589997814.db2.gz OPHOZFDSADBOAW-XVZUFCMUSA-N 2 1 236.359 0.997 20 0 BCADMP C1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C[NH2+]1 ZINC000873215557 589997913 /nfs/dbraw/zinc/99/79/13/589997913.db2.gz CQEDJGIERUBJER-DCHHYWPUSA-N 2 1 208.305 0.361 20 0 BCADMP CC(C)([NH3+])C[NH+]1CCC2(CCNC2=O)CC1 ZINC000873226064 590001001 /nfs/dbraw/zinc/00/10/01/590001001.db2.gz IXKYHRNWXVGIRA-UHFFFAOYSA-N 2 1 225.336 0.326 20 0 BCADMP CONC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000873226781 590001159 /nfs/dbraw/zinc/00/11/59/590001159.db2.gz BASGZDJTAYFHAE-UHFFFAOYSA-N 2 1 229.324 0.113 20 0 BCADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228998 590001233 /nfs/dbraw/zinc/00/12/33/590001233.db2.gz NAIURGVKBYRUCZ-ZOBORPQBSA-N 3 1 237.391 0.916 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873236646 590003772 /nfs/dbraw/zinc/00/37/72/590003772.db2.gz ZAZZQXRAFRJVSD-TUAOUCFPSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000873236646 590003775 /nfs/dbraw/zinc/00/37/75/590003775.db2.gz ZAZZQXRAFRJVSD-TUAOUCFPSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873236648 590004820 /nfs/dbraw/zinc/00/48/20/590004820.db2.gz ZAZZQXRAFRJVSD-WOPDTQHZSA-N 2 1 243.395 0.547 20 0 BCADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000873236648 590004823 /nfs/dbraw/zinc/00/48/23/590004823.db2.gz ZAZZQXRAFRJVSD-WOPDTQHZSA-N 2 1 243.395 0.547 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873251210 590008302 /nfs/dbraw/zinc/00/83/02/590008302.db2.gz KGLJNMWLYHXWJE-YVECIDJPSA-N 3 1 223.364 0.940 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873251207 590008477 /nfs/dbraw/zinc/00/84/77/590008477.db2.gz KGLJNMWLYHXWJE-QNWHQSFQSA-N 3 1 223.364 0.940 20 0 BCADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000873255938 590011024 /nfs/dbraw/zinc/01/10/24/590011024.db2.gz KPMLLUSJYPFYHP-OPRDCNLKSA-N 3 1 220.320 0.882 20 0 BCADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256536 590011433 /nfs/dbraw/zinc/01/14/33/590011433.db2.gz OYBZJBKTPKJQEN-KKOKHZNYSA-N 2 1 211.353 0.973 20 0 BCADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270384 590015939 /nfs/dbraw/zinc/01/59/39/590015939.db2.gz RVEKBRDWAVUCFY-LOWVWBTDSA-N 3 1 225.380 0.962 20 0 BCADMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874183129 590096640 /nfs/dbraw/zinc/09/66/40/590096640.db2.gz QHJIWGWFZGMQEX-UHFFFAOYSA-N 2 1 225.336 0.293 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874470840 590114366 /nfs/dbraw/zinc/11/43/66/590114366.db2.gz YDQOPWSORYRQFJ-UHFFFAOYSA-N 2 1 227.352 0.539 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876749380 590236854 /nfs/dbraw/zinc/23/68/54/590236854.db2.gz NIHIEIVBRVSWCS-GHMZBOCLSA-N 2 1 245.342 0.390 20 0 BCADMP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000876749785 590237070 /nfs/dbraw/zinc/23/70/70/590237070.db2.gz QOHAGVCHFYOVKP-NSHDSACASA-N 2 1 229.368 0.831 20 0 BCADMP O=C(CCC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876852540 590249494 /nfs/dbraw/zinc/24/94/94/590249494.db2.gz DWOFZQVCDVCGAR-SECBINFHSA-N 2 1 247.289 0.052 20 0 BCADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000876882862 590253153 /nfs/dbraw/zinc/25/31/53/590253153.db2.gz UHSGUFHSVUFEKH-RKDXNWHRSA-N 2 1 222.292 0.399 20 0 BCADMP CCN(CC[NH3+])C(=O)CCCn1cc[nH+]c1C ZINC000877006740 590268389 /nfs/dbraw/zinc/26/83/89/590268389.db2.gz PCPMBJSNMUMZOH-UHFFFAOYSA-N 2 1 238.335 0.779 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877081473 590280064 /nfs/dbraw/zinc/28/00/64/590280064.db2.gz CGNIGQKYXLSANW-DCAQKATOSA-N 2 1 243.326 0.144 20 0 BCADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877108152 590286446 /nfs/dbraw/zinc/28/64/46/590286446.db2.gz ONGHCUCSTZSGQT-JTQLQIEISA-N 2 1 238.335 0.812 20 0 BCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C ZINC000877244616 590303307 /nfs/dbraw/zinc/30/33/07/590303307.db2.gz HFICKRKOBKWOAC-FIQHERPVSA-N 2 1 239.363 0.570 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@@H]21 ZINC000877250156 590303475 /nfs/dbraw/zinc/30/34/75/590303475.db2.gz OEDDGRKZUGLKIN-KVSVUVNWSA-N 2 1 249.358 0.289 20 0 BCADMP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877251053 590303624 /nfs/dbraw/zinc/30/36/24/590303624.db2.gz WYHGDNXUTMPESO-GRYCIOLGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450965 590329071 /nfs/dbraw/zinc/32/90/71/590329071.db2.gz IVCFKYXEWYGITQ-UJPOAAIJSA-N 2 1 249.358 0.432 20 0 BCADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC000877972196 590462212 /nfs/dbraw/zinc/46/22/12/590462212.db2.gz DRBANMPGGPCIOQ-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP COCC[N@@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000879124372 590699685 /nfs/dbraw/zinc/69/96/85/590699685.db2.gz VPWNCZOVNXHUAQ-UHFFFAOYSA-N 2 1 244.379 0.659 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+](C)C ZINC000879537187 590796139 /nfs/dbraw/zinc/79/61/39/590796139.db2.gz UXMMVGYWCPQRQU-QWRGUYRKSA-N 2 1 227.352 0.537 20 0 BCADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@H]1C)[NH+](C)C ZINC000879537186 590796964 /nfs/dbraw/zinc/79/69/64/590796964.db2.gz UXMMVGYWCPQRQU-MNOVXSKESA-N 2 1 227.352 0.537 20 0 BCADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000879573491 590808985 /nfs/dbraw/zinc/80/89/85/590808985.db2.gz OWFCEDQIIGAETB-RYUDHWBXSA-N 2 1 228.336 0.021 20 0 BCADMP C[N@H+]1CC[C@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000879573491 590808988 /nfs/dbraw/zinc/80/89/88/590808988.db2.gz OWFCEDQIIGAETB-RYUDHWBXSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000879573491 590808992 /nfs/dbraw/zinc/80/89/92/590808992.db2.gz OWFCEDQIIGAETB-RYUDHWBXSA-N 2 1 228.336 0.021 20 0 BCADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000879573491 590808994 /nfs/dbraw/zinc/80/89/94/590808994.db2.gz OWFCEDQIIGAETB-RYUDHWBXSA-N 2 1 228.336 0.021 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570780 590809817 /nfs/dbraw/zinc/80/98/17/590809817.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570780 590809821 /nfs/dbraw/zinc/80/98/21/590809821.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570780 590809826 /nfs/dbraw/zinc/80/98/26/590809826.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 2 1 239.363 0.539 20 0 BCADMP CC(=O)NCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570780 590809831 /nfs/dbraw/zinc/80/98/31/590809831.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570773 590811166 /nfs/dbraw/zinc/81/11/66/590811166.db2.gz IQOCVQNASADJHC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570773 590811171 /nfs/dbraw/zinc/81/11/71/590811171.db2.gz IQOCVQNASADJHC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570773 590811175 /nfs/dbraw/zinc/81/11/75/590811175.db2.gz IQOCVQNASADJHC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570773 590811179 /nfs/dbraw/zinc/81/11/79/590811179.db2.gz IQOCVQNASADJHC-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP COCCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572287 590811226 /nfs/dbraw/zinc/81/12/26/590811226.db2.gz FYOSMPQFMAFJCV-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572287 590811230 /nfs/dbraw/zinc/81/12/30/590811230.db2.gz FYOSMPQFMAFJCV-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572287 590811234 /nfs/dbraw/zinc/81/12/34/590811234.db2.gz FYOSMPQFMAFJCV-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP COCCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572287 590811236 /nfs/dbraw/zinc/81/12/36/590811236.db2.gz FYOSMPQFMAFJCV-STQMWFEESA-N 2 1 242.363 0.675 20 0 BCADMP CNC(=O)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578612 590817446 /nfs/dbraw/zinc/81/74/46/590817446.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578612 590817449 /nfs/dbraw/zinc/81/74/49/590817449.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578612 590817451 /nfs/dbraw/zinc/81/74/51/590817451.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 2 1 239.363 0.539 20 0 BCADMP Cn1cncc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583361 590821930 /nfs/dbraw/zinc/82/19/30/590821930.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583361 590821932 /nfs/dbraw/zinc/82/19/32/590821932.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583361 590821937 /nfs/dbraw/zinc/82/19/37/590821937.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cn1cncc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583361 590821939 /nfs/dbraw/zinc/82/19/39/590821939.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 2 1 248.374 0.989 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610290 590827643 /nfs/dbraw/zinc/82/76/43/590827643.db2.gz PAIWFWZDNRHXHK-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610290 590827646 /nfs/dbraw/zinc/82/76/46/590827646.db2.gz PAIWFWZDNRHXHK-NEPJUHHUSA-N 2 1 239.319 0.009 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000880443326 591043921 /nfs/dbraw/zinc/04/39/21/591043921.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000880443326 591043906 /nfs/dbraw/zinc/04/39/06/591043906.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)N1C[C@H](O)C[N@H+](C)C1CC1 ZINC000880443326 591043911 /nfs/dbraw/zinc/04/39/11/591043911.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)N1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000880443326 591043916 /nfs/dbraw/zinc/04/39/16/591043916.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000880443326 591043926 /nfs/dbraw/zinc/04/39/26/591043926.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000880443326 591043931 /nfs/dbraw/zinc/04/39/31/591043931.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP C[C@@H]1CC[C@H](CO)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000880443326 591043934 /nfs/dbraw/zinc/04/39/34/591043934.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 1 242.363 0.287 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444227 591045675 /nfs/dbraw/zinc/04/56/75/591045675.db2.gz RIWHMNBSIUDQIB-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444227 591045686 /nfs/dbraw/zinc/04/56/86/591045686.db2.gz RIWHMNBSIUDQIB-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444227 591045690 /nfs/dbraw/zinc/04/56/90/591045690.db2.gz RIWHMNBSIUDQIB-SRVKXCTJSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000882485084 591360455 /nfs/dbraw/zinc/36/04/55/591360455.db2.gz PQBKJSQFPXKNMO-GFCCVEGCSA-N 2 1 239.363 0.539 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000882486349 591361854 /nfs/dbraw/zinc/36/18/54/591361854.db2.gz QMJCZTULLRQKGA-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000882486349 591361858 /nfs/dbraw/zinc/36/18/58/591361858.db2.gz QMJCZTULLRQKGA-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000882486349 591361864 /nfs/dbraw/zinc/36/18/64/591361864.db2.gz QMJCZTULLRQKGA-MNOVXSKESA-N 2 1 225.336 0.149 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000882485085 591361948 /nfs/dbraw/zinc/36/19/48/591361948.db2.gz PQBKJSQFPXKNMO-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC)[NH+](C)C ZINC000882489211 591365872 /nfs/dbraw/zinc/36/58/72/591365872.db2.gz OMUNATTZFBPTIO-WDEREUQCSA-N 2 1 227.352 0.537 20 0 BCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000882494975 591376013 /nfs/dbraw/zinc/37/60/13/591376013.db2.gz VEDUTWVPAIKICE-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC000882494975 591376017 /nfs/dbraw/zinc/37/60/17/591376017.db2.gz VEDUTWVPAIKICE-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000882494975 591376022 /nfs/dbraw/zinc/37/60/22/591376022.db2.gz VEDUTWVPAIKICE-GFCCVEGCSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129825213 591410936 /nfs/dbraw/zinc/41/09/36/591410936.db2.gz XTSSTOLYHNXFKC-MNOVXSKESA-N 2 1 225.336 0.324 20 0 BCADMP CN(C/C=C\Cl)CC(=O)N1CCNCC1 ZINC000213449829 591474263 /nfs/dbraw/zinc/47/42/63/591474263.db2.gz FWTUXCIBDXPRRU-IHWYPQMZSA-N 2 1 231.727 0.103 20 0 BCADMP CC[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+](C)C ZINC000883037684 591517619 /nfs/dbraw/zinc/51/76/19/591517619.db2.gz HQQQXSBZULQXNS-NSHDSACASA-N 2 1 242.367 0.332 20 0 BCADMP Cn1cncc1CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000883416241 591652929 /nfs/dbraw/zinc/65/29/29/591652929.db2.gz PQONNBGJCQIQRH-NSHDSACASA-N 2 1 222.336 0.633 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418187 591653924 /nfs/dbraw/zinc/65/39/24/591653924.db2.gz ZXZIBVFMCHRWGL-LBPRGKRZSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132500636 591715184 /nfs/dbraw/zinc/71/51/84/591715184.db2.gz TWRJGHHRVKSJLW-GRYCIOLGSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132500636 591715187 /nfs/dbraw/zinc/71/51/87/591715187.db2.gz TWRJGHHRVKSJLW-GRYCIOLGSA-N 2 1 212.337 0.974 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132968635 591751559 /nfs/dbraw/zinc/75/15/59/591751559.db2.gz SIHOOBDCXLALAL-UTLUCORTSA-N 2 1 213.325 0.323 20 0 BCADMP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133079382 591762185 /nfs/dbraw/zinc/76/21/85/591762185.db2.gz PONCDQVTAGYBHB-WDEREUQCSA-N 2 1 227.352 0.381 20 0 BCADMP C[C@H](C[C@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000133435206 591791831 /nfs/dbraw/zinc/79/18/31/591791831.db2.gz WZACGJLFDVMSOC-OLZOCXBDSA-N 2 1 241.379 0.439 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000133434822 591792014 /nfs/dbraw/zinc/79/20/14/591792014.db2.gz WZACGJLFDVMSOC-CHWSQXEVSA-N 2 1 241.379 0.439 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884175216 591866878 /nfs/dbraw/zinc/86/68/78/591866878.db2.gz MFIUFLQAKCASRJ-LBPRGKRZSA-N 2 1 241.379 0.785 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000884192897 591870761 /nfs/dbraw/zinc/87/07/61/591870761.db2.gz QJNWSQPSZMRYRF-RYUDHWBXSA-N 2 1 241.379 0.688 20 0 BCADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000884200592 591872227 /nfs/dbraw/zinc/87/22/27/591872227.db2.gz GDOIJHUTSFHDCL-LBPRGKRZSA-N 2 1 241.379 0.831 20 0 BCADMP CC(C)[N@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133970596 591872363 /nfs/dbraw/zinc/87/23/63/591872363.db2.gz BDTXXNBFRRMVKL-QWHCGFSZSA-N 2 1 243.395 0.683 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363925 591916478 /nfs/dbraw/zinc/91/64/78/591916478.db2.gz KXUNVXXTTKMZAT-NXEZZACHSA-N 2 1 236.319 0.434 20 0 BCADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366327 591917576 /nfs/dbraw/zinc/91/75/76/591917576.db2.gz XTFOVFRROTZUBN-HBNTYKKESA-N 2 1 239.363 0.713 20 0 BCADMP Cc1ncnc(NCC[N@@H+](C)CCO)c1C ZINC000884826168 592018287 /nfs/dbraw/zinc/01/82/87/592018287.db2.gz MKFFZDOFHVCWHE-UHFFFAOYSA-N 2 1 224.308 0.429 20 0 BCADMP C[C@@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000885960683 592115874 /nfs/dbraw/zinc/11/58/74/592115874.db2.gz OXMTVZRJNSMRCE-KHQFGBGNSA-N 2 1 220.263 0.154 20 0 BCADMP C[C@@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000885960683 592115876 /nfs/dbraw/zinc/11/58/76/592115876.db2.gz OXMTVZRJNSMRCE-KHQFGBGNSA-N 2 1 220.263 0.154 20 0 BCADMP CCC1([NH+]2CCC2)CC[NH+](CCO)CC1 ZINC000886710937 592308436 /nfs/dbraw/zinc/30/84/36/592308436.db2.gz JVGZFRKVCPMKPA-UHFFFAOYSA-N 2 1 212.337 0.929 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219924997 592265323 /nfs/dbraw/zinc/26/53/23/592265323.db2.gz UQXFLEHCHIZRGR-TUAOUCFPSA-N 2 1 239.363 0.585 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CCO1 ZINC000886829742 592350074 /nfs/dbraw/zinc/35/00/74/592350074.db2.gz GNABNWGBYGJPBG-ZDEQEGDKSA-N 2 1 240.347 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CCO1 ZINC000886829742 592350078 /nfs/dbraw/zinc/35/00/78/592350078.db2.gz GNABNWGBYGJPBG-ZDEQEGDKSA-N 2 1 240.347 0.461 20 0 BCADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[NH2+]CC1 ZINC000886827413 592350158 /nfs/dbraw/zinc/35/01/58/592350158.db2.gz KOQXJBUGLPWJOZ-RYUDHWBXSA-N 2 1 210.321 0.708 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)CCO1 ZINC000886829741 592351301 /nfs/dbraw/zinc/35/13/01/592351301.db2.gz GNABNWGBYGJPBG-RNJOBUHISA-N 2 1 240.347 0.461 20 0 BCADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)CCO1 ZINC000886829741 592351306 /nfs/dbraw/zinc/35/13/06/592351306.db2.gz GNABNWGBYGJPBG-RNJOBUHISA-N 2 1 240.347 0.461 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@]12CCOC2 ZINC000886841644 592363037 /nfs/dbraw/zinc/36/30/37/592363037.db2.gz RINCTWYZKIOFHE-RYUDHWBXSA-N 2 1 228.336 0.320 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000886841827 592363336 /nfs/dbraw/zinc/36/33/36/592363336.db2.gz XBXHDDWOULTSLG-NDBYEHHHSA-N 2 1 224.348 0.940 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@]12CCOC2 ZINC000886841642 592363559 /nfs/dbraw/zinc/36/35/59/592363559.db2.gz RINCTWYZKIOFHE-NEPJUHHUSA-N 2 1 228.336 0.320 20 0 BCADMP CCN(CC[N@@H+]1CCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000886848506 592366027 /nfs/dbraw/zinc/36/60/27/592366027.db2.gz FTNOOXGLWMMEQM-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP CCN(CC[N@H+]1CCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000886848506 592366031 /nfs/dbraw/zinc/36/60/31/592366031.db2.gz FTNOOXGLWMMEQM-STQMWFEESA-N 2 1 241.379 0.391 20 0 BCADMP c1nnn2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000886857881 592370820 /nfs/dbraw/zinc/37/08/20/592370820.db2.gz DPWSLIUQHHMKIA-LBPRGKRZSA-N 2 1 249.362 0.874 20 0 BCADMP CN(C)C(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872005 592377365 /nfs/dbraw/zinc/37/73/65/592377365.db2.gz HCUSHSFDNTZUBV-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP CN(C)C(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872005 592377369 /nfs/dbraw/zinc/37/73/69/592377369.db2.gz HCUSHSFDNTZUBV-CYBMUJFWSA-N 2 1 239.363 0.540 20 0 BCADMP COC1CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000221111104 592397058 /nfs/dbraw/zinc/39/70/58/592397058.db2.gz PGPZGXBIVMBABZ-KPFVRQRISA-N 2 1 240.347 0.617 20 0 BCADMP COC1CC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000221111104 592397061 /nfs/dbraw/zinc/39/70/61/592397061.db2.gz PGPZGXBIVMBABZ-KPFVRQRISA-N 2 1 240.347 0.617 20 0 BCADMP C[C@H](CNC(=[NH2+])NCC(F)F)[N@@H+](C)C1CC1 ZINC000887352501 592486531 /nfs/dbraw/zinc/48/65/31/592486531.db2.gz CDOOFLOXTLKNGE-SSDOTTSWSA-N 2 1 234.294 0.848 20 0 BCADMP [NH2+]=C(NCC(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000887358229 592489309 /nfs/dbraw/zinc/48/93/09/592489309.db2.gz XDRZAXOJKUIABF-SSDOTTSWSA-N 2 1 243.261 0.577 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360692 592508659 /nfs/dbraw/zinc/50/86/59/592508659.db2.gz YVSJVXKBBOTJBT-QWRGUYRKSA-N 2 1 225.336 0.324 20 0 BCADMP Cn1nccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300776443 592519545 /nfs/dbraw/zinc/51/95/45/592519545.db2.gz AVEDLJKLNZPBFN-NSHDSACASA-N 2 1 222.336 0.898 20 0 BCADMP [NH3+]CC1(CCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925703043 634379478 /nfs/dbraw/zinc/37/94/78/634379478.db2.gz SHMXBSAGPTXCHM-LLVKDONJSA-N 2 1 223.364 0.990 20 0 BCADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925710644 634406825 /nfs/dbraw/zinc/40/68/25/634406825.db2.gz QIRYZHXNSYZHCR-VWYCJHECSA-N 2 1 211.353 0.973 20 0 BCADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257717876 634479565 /nfs/dbraw/zinc/47/95/65/634479565.db2.gz SHEYNKMZALXDLY-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740636 634488581 /nfs/dbraw/zinc/48/85/81/634488581.db2.gz YUWMSCPESTURFD-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740636 634488587 /nfs/dbraw/zinc/48/85/87/634488587.db2.gz YUWMSCPESTURFD-QWHCGFSZSA-N 3 1 223.364 0.671 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000253229342 634539376 /nfs/dbraw/zinc/53/93/76/634539376.db2.gz LFUUXVZTXTZPRF-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000253229342 634539381 /nfs/dbraw/zinc/53/93/81/634539381.db2.gz LFUUXVZTXTZPRF-VXGBXAGGSA-N 2 1 239.363 0.526 20 0 BCADMP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253236062 634539305 /nfs/dbraw/zinc/53/93/05/634539305.db2.gz NEMHTLDGFULRLU-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253236062 634539312 /nfs/dbraw/zinc/53/93/12/634539312.db2.gz NEMHTLDGFULRLU-GRYCIOLGSA-N 2 1 241.379 0.818 20 0 BCADMP C[N@H+]1CC[C@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031204 634548575 /nfs/dbraw/zinc/54/85/75/634548575.db2.gz NVVWALHHVDJKHT-JTQLQIEISA-N 2 1 236.319 0.956 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000125573115 634563399 /nfs/dbraw/zinc/56/33/99/634563399.db2.gz VLUJXRLSLOJNRN-LBPRGKRZSA-N 2 1 239.363 0.670 20 0 BCADMP CCCC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000244224308 634596413 /nfs/dbraw/zinc/59/64/13/634596413.db2.gz WBRJLGMFIKZKCI-UHFFFAOYSA-N 2 1 227.352 0.540 20 0 BCADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000226084399 635422715 /nfs/dbraw/zinc/42/27/15/635422715.db2.gz UIRCBQGKTJRDNF-NSHDSACASA-N 2 1 241.379 0.975 20 0 BCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063685 635479577 /nfs/dbraw/zinc/47/95/77/635479577.db2.gz ATGYZQAOLIZDAZ-CMPLNLGQSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000095015739 635508936 /nfs/dbraw/zinc/50/89/36/635508936.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000095015739 635508939 /nfs/dbraw/zinc/50/89/39/635508939.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000095015739 635508943 /nfs/dbraw/zinc/50/89/43/635508943.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 1 211.353 0.763 20 0 BCADMP CCS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000233831699 635542265 /nfs/dbraw/zinc/54/22/65/635542265.db2.gz MNCQDKISOHBASC-QWRGUYRKSA-N 2 1 248.392 0.338 20 0 BCADMP CCS(=O)(=O)CC[NH2+]CCn1cc[nH+]c1C ZINC000233821161 635542331 /nfs/dbraw/zinc/54/23/31/635542331.db2.gz DNECUWIPFJFKKI-UHFFFAOYSA-N 2 1 245.348 0.216 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@H]1CCC[NH2+]1 ZINC000925890702 635616070 /nfs/dbraw/zinc/61/60/70/635616070.db2.gz QPJFPSCMONPOJP-GMTAPVOTSA-N 2 1 249.362 0.403 20 0 BCADMP C1C[C@@H]([NH2+][C@H]2CNOC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000925865020 635565278 /nfs/dbraw/zinc/56/52/78/635565278.db2.gz OHFLSYQZDYOFFV-UMSGYPCISA-N 2 1 239.363 0.790 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251524259 635565399 /nfs/dbraw/zinc/56/53/99/635565399.db2.gz JRAGREYLGPEALV-AXFHLTTASA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251524259 635565407 /nfs/dbraw/zinc/56/54/07/635565407.db2.gz JRAGREYLGPEALV-AXFHLTTASA-N 2 1 216.325 0.195 20 0 BCADMP Cn1nnc2c1C[C@@H]([NH2+][C@H]1CC[NH2+]C1(C)C)CC2 ZINC000925892871 635618640 /nfs/dbraw/zinc/61/86/40/635618640.db2.gz GZALUNNJLSNEJH-CABZTGNLSA-N 2 1 249.362 0.403 20 0 BCADMP C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC000237271586 635613471 /nfs/dbraw/zinc/61/34/71/635613471.db2.gz ZHCQIPOMZLTQCE-UHFFFAOYSA-N 2 1 238.335 0.650 20 0 BCADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173424 631377499 /nfs/dbraw/zinc/37/74/99/631377499.db2.gz KOSJQVXDFDKRSV-REWJHTLYSA-N 2 1 236.359 0.997 20 0 BCADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926173424 631377501 /nfs/dbraw/zinc/37/75/01/631377501.db2.gz KOSJQVXDFDKRSV-REWJHTLYSA-N 2 1 236.359 0.997 20 0 BCADMP CC1CC[NH+](Cc2cn(CC[NH3+])nn2)CC1 ZINC000084378853 631440343 /nfs/dbraw/zinc/44/03/43/631440343.db2.gz YTKCKCOCOLCTBX-UHFFFAOYSA-N 2 1 223.324 0.469 20 0 BCADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC)C1)[NH+](C)C ZINC000971777818 631453645 /nfs/dbraw/zinc/45/36/45/631453645.db2.gz HTKLNAIDIIXUAZ-VXGBXAGGSA-N 2 1 241.379 0.879 20 0 BCADMP C[C@@H](O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733474 631493865 /nfs/dbraw/zinc/49/38/65/631493865.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733474 631493855 /nfs/dbraw/zinc/49/38/55/631493855.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP C[C@@H](O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733474 631493873 /nfs/dbraw/zinc/49/38/73/631493873.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 2 1 212.337 0.641 20 0 BCADMP CN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933740902 631499045 /nfs/dbraw/zinc/49/90/45/631499045.db2.gz PCZQHHVDHOFWBG-WZRBSPASSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933740902 631499051 /nfs/dbraw/zinc/49/90/51/631499051.db2.gz PCZQHHVDHOFWBG-WZRBSPASSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000933740902 631499060 /nfs/dbraw/zinc/49/90/60/631499060.db2.gz PCZQHHVDHOFWBG-WZRBSPASSA-N 2 1 237.347 0.101 20 0 BCADMP CN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000933740902 631499064 /nfs/dbraw/zinc/49/90/64/631499064.db2.gz PCZQHHVDHOFWBG-WZRBSPASSA-N 2 1 237.347 0.101 20 0 BCADMP CCNC(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309118939 631889890 /nfs/dbraw/zinc/88/98/90/631889890.db2.gz SEVZHOFKGUJHDO-ZJUUUORDSA-N 2 1 213.325 0.182 20 0 BCADMP CCN(C)C[C@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000309215910 631969073 /nfs/dbraw/zinc/96/90/73/631969073.db2.gz FOBSWSNLPDNXNQ-RYUDHWBXSA-N 2 1 230.352 0.267 20 0 BCADMP CCOC(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000309345564 632005281 /nfs/dbraw/zinc/00/52/81/632005281.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 1 226.320 0.433 20 0 BCADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919348 632012363 /nfs/dbraw/zinc/01/23/63/632012363.db2.gz PDZKJNWWGRMZTC-LBPRGKRZSA-N 2 1 241.379 0.819 20 0 BCADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000052043913 632052213 /nfs/dbraw/zinc/05/22/13/632052213.db2.gz NPTKJKNFANRKOH-SECBINFHSA-N 2 1 210.325 0.605 20 0 BCADMP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863175 635707549 /nfs/dbraw/zinc/70/75/49/635707549.db2.gz SRKDFMAGSNMQQL-UWVGGRQHSA-N 2 1 225.336 0.182 20 0 BCADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086457 632125830 /nfs/dbraw/zinc/12/58/30/632125830.db2.gz MPXPXBBDCWSFCU-UTUOFQBUSA-N 2 1 239.363 0.583 20 0 BCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023086822 632126545 /nfs/dbraw/zinc/12/65/45/632126545.db2.gz YLGYBOMCXWYNEE-GARJFASQSA-N 2 1 243.326 0.144 20 0 BCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000178834600 635734922 /nfs/dbraw/zinc/73/49/22/635734922.db2.gz XFKCPCACBROLIH-SNVBAGLBSA-N 2 1 213.325 0.135 20 0 BCADMP Cn1ccnc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924938756 635791715 /nfs/dbraw/zinc/79/17/15/635791715.db2.gz NNVIHUYNVVYXHJ-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP Cn1ccnc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924938756 635791723 /nfs/dbraw/zinc/79/17/23/635791723.db2.gz NNVIHUYNVVYXHJ-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240985 632542598 /nfs/dbraw/zinc/54/25/98/632542598.db2.gz LFCLZMVLVCROBQ-DCAQKATOSA-N 2 1 225.336 0.467 20 0 BCADMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193145 632566382 /nfs/dbraw/zinc/56/63/82/632566382.db2.gz OHDKTMPFDNBLBX-GMTAPVOTSA-N 2 1 227.352 0.380 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC000309032074 632618291 /nfs/dbraw/zinc/61/82/91/632618291.db2.gz FKHDKYPKKWKDEN-LLVKDONJSA-N 2 1 212.337 0.831 20 0 BCADMP COC(=O)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000260224817 632632379 /nfs/dbraw/zinc/63/23/79/632632379.db2.gz WDMOGTLGPISZAF-LBPRGKRZSA-N 2 1 240.347 0.823 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)CC1CCCC1 ZINC000309736467 632663378 /nfs/dbraw/zinc/66/33/78/632663378.db2.gz GPWPGOGILGOUQK-VXGBXAGGSA-N 2 1 230.352 0.179 20 0 BCADMP C[C@@]1(O)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310043577 632697855 /nfs/dbraw/zinc/69/78/55/632697855.db2.gz XJABPHNFPSHPRO-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@]1(O)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310043577 632697858 /nfs/dbraw/zinc/69/78/58/632697858.db2.gz XJABPHNFPSHPRO-CHWSQXEVSA-N 2 1 242.363 0.290 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523117 632758014 /nfs/dbraw/zinc/75/80/14/632758014.db2.gz MKBMVUHXDGADAK-OLZOCXBDSA-N 3 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310523117 632758018 /nfs/dbraw/zinc/75/80/18/632758018.db2.gz MKBMVUHXDGADAK-OLZOCXBDSA-N 2 1 241.379 0.114 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310523117 632758021 /nfs/dbraw/zinc/75/80/21/632758021.db2.gz MKBMVUHXDGADAK-OLZOCXBDSA-N 2 1 241.379 0.114 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000052043021 632782402 /nfs/dbraw/zinc/78/24/02/632782402.db2.gz RZELSRWLSCWOEK-SECBINFHSA-N 2 1 200.330 0.706 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000924990803 635828091 /nfs/dbraw/zinc/82/80/91/635828091.db2.gz BLGJCAFSJHESQL-WHOHXGKFSA-N 2 1 230.352 0.170 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167529543 633131560 /nfs/dbraw/zinc/13/15/60/633131560.db2.gz LSOVBMQQVFRIGH-NWDGAFQWSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000928444408 635949598 /nfs/dbraw/zinc/94/95/98/635949598.db2.gz ZAPKEAVCHOJOAS-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000928444408 635949600 /nfs/dbraw/zinc/94/96/00/635949600.db2.gz ZAPKEAVCHOJOAS-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000928444408 635949602 /nfs/dbraw/zinc/94/96/02/635949602.db2.gz ZAPKEAVCHOJOAS-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000928444408 635949604 /nfs/dbraw/zinc/94/96/04/635949604.db2.gz ZAPKEAVCHOJOAS-WOPDTQHZSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@@H+](C[C@@H](O)CO)CC1CC[NH+](C)CC1 ZINC000894981864 636012031 /nfs/dbraw/zinc/01/20/31/636012031.db2.gz VHMUPPGSQDHVSO-CYBMUJFWSA-N 2 1 244.379 0.392 20 0 BCADMP CC[C@H]1C[N@@H+](C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035512 636102259 /nfs/dbraw/zinc/10/22/59/636102259.db2.gz BXYXYMQGJFHTTF-AXFHLTTASA-N 2 1 216.325 0.053 20 0 BCADMP CC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328456437 633764947 /nfs/dbraw/zinc/76/49/47/633764947.db2.gz RNWSOMXWKKHEDC-NEJQNHLGSA-N 2 1 210.321 0.343 20 0 BCADMP CC[C@H](COC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328464849 633769454 /nfs/dbraw/zinc/76/94/54/633769454.db2.gz WPNKDLQAJYLRBC-ASHHDVGLSA-N 2 1 224.348 0.997 20 0 BCADMP Cn1c[nH+]cc1CCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000314277342 633782998 /nfs/dbraw/zinc/78/29/98/633782998.db2.gz JKKZWQZLCIWYTP-YPMHNXCESA-N 2 1 234.347 0.646 20 0 BCADMP C(C1CC1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557683 634032886 /nfs/dbraw/zinc/03/28/86/634032886.db2.gz PXVRLAMLUDVDEG-QWHCGFSZSA-N 2 1 239.363 0.049 20 0 BCADMP C[C@@H]([NH2+]Cc1nnn(C)n1)C1CC[NH+](C)CC1 ZINC000396479291 634042615 /nfs/dbraw/zinc/04/26/15/634042615.db2.gz ZLICXEKTGJMNCB-SECBINFHSA-N 2 1 238.339 0.030 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925586607 634093862 /nfs/dbraw/zinc/09/38/62/634093862.db2.gz ZYAYIGXYNYHEFX-CMPLNLGQSA-N 2 1 234.347 0.997 20 0 BCADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC[NH+](C)CC1 ZINC000310338236 634127804 /nfs/dbraw/zinc/12/78/04/634127804.db2.gz LVWWWHMMRFCYDK-CMPLNLGQSA-N 2 1 239.363 0.727 20 0 BCADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925606981 634137052 /nfs/dbraw/zinc/13/70/52/634137052.db2.gz RDLNMENSXQLSAX-LBPRGKRZSA-N 2 1 229.368 0.295 20 0 BCADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310436071 634149267 /nfs/dbraw/zinc/14/92/67/634149267.db2.gz UGFLKUYJZDJYFA-NSHDSACASA-N 2 1 236.319 0.435 20 0 BCADMP Cn1ncc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925675896 634263485 /nfs/dbraw/zinc/26/34/85/634263485.db2.gz HDDLPSVBJZWECI-GFCCVEGCSA-N 2 1 249.362 0.622 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000925685098 634299823 /nfs/dbraw/zinc/29/98/23/634299823.db2.gz FRUWFNAAXQBVEJ-GARJFASQSA-N 2 1 225.336 0.243 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000925692956 634329626 /nfs/dbraw/zinc/32/96/26/634329626.db2.gz PQAGLFVTFNDLQW-NOOOWODRSA-N 2 1 212.337 0.878 20 0 BCADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696949 634358780 /nfs/dbraw/zinc/35/87/80/634358780.db2.gz CDQHNHQESCKAJB-FVCCEPFGSA-N 3 1 237.391 0.962 20 0 BCADMP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699329 634366589 /nfs/dbraw/zinc/36/65/89/634366589.db2.gz ODLKXBOCVIUWED-KBPBESRZSA-N 3 1 237.391 0.964 20 0 BCADMP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000857102796 634373342 /nfs/dbraw/zinc/37/33/42/634373342.db2.gz NKJKTMBQHJTQEU-HBNTYKKESA-N 2 1 242.367 0.506 20 0 BCADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258430176 635149903 /nfs/dbraw/zinc/14/99/03/635149903.db2.gz GZQNVTTWNSZKQA-ZIAGYGMSSA-N 2 1 234.343 0.871 20 0 BCADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000258430166 635150276 /nfs/dbraw/zinc/15/02/76/635150276.db2.gz GZQNVTTWNSZKQA-KBPBESRZSA-N 2 1 234.343 0.871 20 0 BCADMP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000925771070 635203205 /nfs/dbraw/zinc/20/32/05/635203205.db2.gz MJDHNKDWQOIAQI-KYXWUPHJSA-N 2 1 232.349 0.031 20 0 BCADMP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000925892870 635617957 /nfs/dbraw/zinc/61/79/57/635617957.db2.gz GZALUNNJLSNEJH-BXKDBHETSA-N 2 1 249.362 0.403 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983130 636397949 /nfs/dbraw/zinc/39/79/49/636397949.db2.gz SWDDEGQPUDOTFE-VXGBXAGGSA-N 2 1 239.363 0.537 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000067674772 636761117 /nfs/dbraw/zinc/76/11/17/636761117.db2.gz OCNLEWMAWNPQOZ-NSHDSACASA-N 2 1 225.336 0.150 20 0 BCADMP C[N@H+](CCC1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000085438601 636876698 /nfs/dbraw/zinc/87/66/98/636876698.db2.gz WADWZDMDORDIAP-UHFFFAOYSA-N 2 1 248.392 0.353 20 0 BCADMP C[N@@H+](CCC1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000085438601 636876702 /nfs/dbraw/zinc/87/67/02/636876702.db2.gz WADWZDMDORDIAP-UHFFFAOYSA-N 2 1 248.392 0.353 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)C[NH+](C)C ZINC000926962730 636972121 /nfs/dbraw/zinc/97/21/21/636972121.db2.gz LQFQVPMWRLVKFH-UMSGYPCISA-N 2 1 244.379 0.966 20 0 BCADMP CCO[C@H](C[NH2+][C@@H]1CCCOC1)C[NH+](C)C ZINC000926967001 636977179 /nfs/dbraw/zinc/97/71/79/636977179.db2.gz ZEVZIVSQBUXBLN-VXGBXAGGSA-N 2 1 230.352 0.722 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1C ZINC000927149437 637057572 /nfs/dbraw/zinc/05/75/72/637057572.db2.gz BYFRNULKXVIDHN-WISYIIOYSA-N 2 1 212.337 0.830 20 0 BCADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1C ZINC000927149437 637057579 /nfs/dbraw/zinc/05/75/79/637057579.db2.gz BYFRNULKXVIDHN-WISYIIOYSA-N 2 1 212.337 0.830 20 0 BCADMP Cn1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)cn1 ZINC000924751489 637078199 /nfs/dbraw/zinc/07/81/99/637078199.db2.gz LBHCRZDYVQAZMH-FUNVUKJBSA-N 2 1 234.347 0.850 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCOC1 ZINC000924779245 637230736 /nfs/dbraw/zinc/23/07/36/637230736.db2.gz YGWNEPVSQPYFGR-FKJOKYEKSA-N 2 1 224.348 0.953 20 0 BCADMP CC[N@H+]1CC[C@H]([NH2+]CCCON)[C@@H](C)C1 ZINC000902419718 637303210 /nfs/dbraw/zinc/30/32/10/637303210.db2.gz JSCIXWHMNKCZPG-QWRGUYRKSA-N 2 1 215.341 0.587 20 0 BCADMP OCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722807 637380438 /nfs/dbraw/zinc/38/04/38/637380438.db2.gz DNOMIDBNHDILNZ-QWHCGFSZSA-N 2 1 240.347 0.212 20 0 BCADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000903788863 637384501 /nfs/dbraw/zinc/38/45/01/637384501.db2.gz RTFQRLXYJABESV-MNOVXSKESA-N 2 1 237.351 0.715 20 0 BCADMP COC(=O)C1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000904444897 637414399 /nfs/dbraw/zinc/41/43/99/637414399.db2.gz VJLCDWHINKTKQZ-UHFFFAOYSA-N 2 1 226.320 0.799 20 0 BCADMP CC[N@@H+](CCC(=O)NC)CC(C)(C)[NH3+] ZINC000904469444 637422946 /nfs/dbraw/zinc/42/29/46/637422946.db2.gz MKQSBCNOTSWRGY-UHFFFAOYSA-N 2 1 201.314 0.182 20 0 BCADMP CC[N@@H+](CCC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000904468651 637423506 /nfs/dbraw/zinc/42/35/06/637423506.db2.gz DNVLNANEHBHMBO-LBPRGKRZSA-N 2 1 227.352 0.444 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)C1 ZINC000904477829 637427892 /nfs/dbraw/zinc/42/78/92/637427892.db2.gz YPZWYRPXJKSIJX-ZBAXXZLZSA-N 2 1 224.348 0.999 20 0 BCADMP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000904929093 637532146 /nfs/dbraw/zinc/53/21/46/637532146.db2.gz PIOLRPJZXDPYTQ-KCJUWKMLSA-N 2 1 249.305 0.569 20 0 BCADMP CC(C)[N@H+](C)Cc1cn([C@H](C)C[NH3+])nn1 ZINC000905057479 637592067 /nfs/dbraw/zinc/59/20/67/637592067.db2.gz QNZSHRYTMKDUAV-SECBINFHSA-N 2 1 211.313 0.638 20 0 BCADMP CC(C)[N@@H+](C)Cc1cn([C@H](C)C[NH3+])nn1 ZINC000905057479 637592072 /nfs/dbraw/zinc/59/20/72/637592072.db2.gz QNZSHRYTMKDUAV-SECBINFHSA-N 2 1 211.313 0.638 20 0 BCADMP [NH3+]C1(c2noc(CC[C@@H]3CC[NH2+]C3)n2)CC1 ZINC000905323560 637747933 /nfs/dbraw/zinc/74/79/33/637747933.db2.gz DSZVMXJXEMKUJW-MRVPVSSYSA-N 2 1 222.292 0.560 20 0 BCADMP [NH3+]C1(c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)CC1 ZINC000905326487 637756617 /nfs/dbraw/zinc/75/66/17/637756617.db2.gz DPAFJWWRPNHELM-GZMMTYOYSA-N 2 1 234.303 0.875 20 0 BCADMP [NH3+]C1(c2noc([C@H]3CCC[NH2+]CC3)n2)CC1 ZINC000905327786 637759317 /nfs/dbraw/zinc/75/93/17/637759317.db2.gz VBYQIVXFVDCLEN-QMMMGPOBSA-N 2 1 222.292 0.875 20 0 BCADMP CCC[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905585712 637855404 /nfs/dbraw/zinc/85/54/04/637855404.db2.gz AITSJCNQWVXHOD-QWHCGFSZSA-N 2 1 244.379 0.582 20 0 BCADMP CCC[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905585712 637855405 /nfs/dbraw/zinc/85/54/05/637855405.db2.gz AITSJCNQWVXHOD-QWHCGFSZSA-N 2 1 244.379 0.582 20 0 BCADMP Cc1cncc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000905705775 637890683 /nfs/dbraw/zinc/89/06/83/637890683.db2.gz LTTVIXXSWCOEHG-UHFFFAOYSA-N 2 1 235.335 0.620 20 0 BCADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000906507837 638179014 /nfs/dbraw/zinc/17/90/14/638179014.db2.gz FNEJTIDNWZORBC-HAQNSBGRSA-N 2 1 247.346 0.656 20 0 BCADMP CN(C)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906508376 638179626 /nfs/dbraw/zinc/17/96/26/638179626.db2.gz QAWJNAFLXFFFNV-MGCOHNPYSA-N 2 1 221.308 0.122 20 0 BCADMP CCCC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000906529672 638194716 /nfs/dbraw/zinc/19/47/16/638194716.db2.gz RLIJRGZUUXPLTF-GFCCVEGCSA-N 2 1 241.379 0.964 20 0 BCADMP CCCC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000906529673 638195094 /nfs/dbraw/zinc/19/50/94/638195094.db2.gz RLIJRGZUUXPLTF-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620055 639683422 /nfs/dbraw/zinc/68/34/22/639683422.db2.gz PAKMFVOTARARCR-UWVGGRQHSA-N 2 1 236.319 0.538 20 0 BCADMP [NH3+]Cc1ncc(C(=O)N[C@@H]2CCC[NH2+]C2)s1 ZINC000911672825 639707636 /nfs/dbraw/zinc/70/76/36/639707636.db2.gz ODQRYZFTICVXMG-SSDOTTSWSA-N 2 1 240.332 0.084 20 0 BCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652502 639709291 /nfs/dbraw/zinc/70/92/91/639709291.db2.gz UWDZUEDONHMGIC-MNOVXSKESA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000911654933 639710460 /nfs/dbraw/zinc/71/04/60/639710460.db2.gz DFKFLDQQWPFLFW-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP C[NH2+]CCCNC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000911677287 639716505 /nfs/dbraw/zinc/71/65/05/639716505.db2.gz ODASZPYYAMKCQS-ZETCQYMHSA-N 2 1 242.348 0.502 20 0 BCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000911696593 639730634 /nfs/dbraw/zinc/73/06/34/639730634.db2.gz XCMISXJZOZPTBX-QWRGUYRKSA-N 2 1 248.330 0.232 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725451 639750983 /nfs/dbraw/zinc/75/09/83/639750983.db2.gz UUOSCGQNCXCSDI-NWDGAFQWSA-N 2 1 239.363 0.680 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911731373 639785986 /nfs/dbraw/zinc/78/59/86/639785986.db2.gz UWDZUEDONHMGIC-WDEREUQCSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930600734 639816689 /nfs/dbraw/zinc/81/66/89/639816689.db2.gz AOXFBZVVUUFICA-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930600734 639816690 /nfs/dbraw/zinc/81/66/90/639816690.db2.gz AOXFBZVVUUFICA-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930600734 639816691 /nfs/dbraw/zinc/81/66/91/639816691.db2.gz AOXFBZVVUUFICA-AVGNSLFASA-N 2 1 242.363 0.146 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845143 639855414 /nfs/dbraw/zinc/85/54/14/639855414.db2.gz HLPYJKGEYROCPU-SNVBAGLBSA-N 2 1 227.352 0.713 20 0 BCADMP C[C@@H]([NH3+])c1nc(C(=O)NCC(C)(C)[NH3+])cs1 ZINC000911847442 639856035 /nfs/dbraw/zinc/85/60/35/639856035.db2.gz WQIIOWRMGHYXKM-ZCFIWIBFSA-N 2 1 242.348 0.630 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931276427 640126782 /nfs/dbraw/zinc/12/67/82/640126782.db2.gz HZJGHCXFGFSICP-CXYFJQCHSA-N 2 1 224.348 0.903 20 0 BCADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931276427 640126787 /nfs/dbraw/zinc/12/67/87/640126787.db2.gz HZJGHCXFGFSICP-CXYFJQCHSA-N 2 1 224.348 0.903 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000931278376 640129277 /nfs/dbraw/zinc/12/92/77/640129277.db2.gz ASKUUYMKPIJQJN-NNYUYHANSA-N 2 1 210.321 0.515 20 0 BCADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000931278376 640129281 /nfs/dbraw/zinc/12/92/81/640129281.db2.gz ASKUUYMKPIJQJN-NNYUYHANSA-N 2 1 210.321 0.515 20 0 BCADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000931355556 640167782 /nfs/dbraw/zinc/16/77/82/640167782.db2.gz RFLAIDZRQQAULV-GFCCVEGCSA-N 2 1 242.363 0.818 20 0 BCADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440674 640205621 /nfs/dbraw/zinc/20/56/21/640205621.db2.gz WKWFSFLALIRRHK-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440674 640205626 /nfs/dbraw/zinc/20/56/26/640205626.db2.gz WKWFSFLALIRRHK-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440674 640205629 /nfs/dbraw/zinc/20/56/29/640205629.db2.gz WKWFSFLALIRRHK-WOPDTQHZSA-N 2 1 237.347 0.149 20 0 BCADMP Cn1nccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931440510 640206522 /nfs/dbraw/zinc/20/65/22/640206522.db2.gz WACLQBBGVCRPKJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1nccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931440510 640206529 /nfs/dbraw/zinc/20/65/29/640206529.db2.gz WACLQBBGVCRPKJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1nccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931440510 640206532 /nfs/dbraw/zinc/20/65/32/640206532.db2.gz WACLQBBGVCRPKJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP Cn1nccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931440510 640206535 /nfs/dbraw/zinc/20/65/35/640206535.db2.gz WACLQBBGVCRPKJ-NEPJUHHUSA-N 2 1 234.347 0.804 20 0 BCADMP COCC(COC)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931548314 640268414 /nfs/dbraw/zinc/26/84/14/640268414.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931548314 640268431 /nfs/dbraw/zinc/26/84/31/640268431.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 2 1 242.363 0.674 20 0 BCADMP COCC(COC)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931548314 640268437 /nfs/dbraw/zinc/26/84/37/640268437.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 2 1 242.363 0.674 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156349889 640436564 /nfs/dbraw/zinc/43/65/64/640436564.db2.gz NBQQTYNYGSKULV-AXFHLTTASA-N 2 1 216.325 0.066 20 0 BCADMP CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000044651174 640447644 /nfs/dbraw/zinc/44/76/44/640447644.db2.gz IWKFRNVTSGSZKB-LLVKDONJSA-N 2 1 227.352 0.442 20 0 BCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224812 640603881 /nfs/dbraw/zinc/60/38/81/640603881.db2.gz KNYFZUFYSURANB-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224224812 640603884 /nfs/dbraw/zinc/60/38/84/640603884.db2.gz KNYFZUFYSURANB-QWRGUYRKSA-N 2 1 239.363 0.714 20 0 BCADMP O=C1C[N@@H+](CCC2CC[NH2+]CC2)CCCN1 ZINC000157617132 640695835 /nfs/dbraw/zinc/69/58/35/640695835.db2.gz JHAFMJPZNPFXOX-UHFFFAOYSA-N 2 1 225.336 0.198 20 0 BCADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891940 640712384 /nfs/dbraw/zinc/71/23/84/640712384.db2.gz MRFTYXKMWQVWNS-TUAOUCFPSA-N 2 1 212.337 0.831 20 0 BCADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732199 640755216 /nfs/dbraw/zinc/75/52/16/640755216.db2.gz MSIONPQQGXZBMB-GRYCIOLGSA-N 2 1 212.337 0.905 20 0 BCADMP Cn1cc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000933737218 640757273 /nfs/dbraw/zinc/75/72/73/640757273.db2.gz MWBHKQFQDPSNQF-KGLIPLIRSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000933737218 640757279 /nfs/dbraw/zinc/75/72/79/640757279.db2.gz MWBHKQFQDPSNQF-KGLIPLIRSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000933737218 640757285 /nfs/dbraw/zinc/75/72/85/640757285.db2.gz MWBHKQFQDPSNQF-KGLIPLIRSA-N 2 1 248.374 0.846 20 0 BCADMP Cn1cc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000933737218 640757292 /nfs/dbraw/zinc/75/72/92/640757292.db2.gz MWBHKQFQDPSNQF-KGLIPLIRSA-N 2 1 248.374 0.846 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399509 640760361 /nfs/dbraw/zinc/76/03/61/640760361.db2.gz JMOQNJYSCPWOTJ-BDAKNGLRSA-N 2 1 213.325 0.323 20 0 BCADMP CC[N@@H+](CCNC(=O)C[C@@H](C)[NH3+])C1CC1 ZINC000226398112 640760431 /nfs/dbraw/zinc/76/04/31/640760431.db2.gz HMEZVOKSHNFCRV-SECBINFHSA-N 2 1 213.325 0.324 20 0 BCADMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228531248 640878802 /nfs/dbraw/zinc/87/88/02/640878802.db2.gz BDBSWYVFPIZQOV-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@H]21 ZINC000228544689 640879834 /nfs/dbraw/zinc/87/98/34/640879834.db2.gz BYXUVDIVVTWQJG-GWOFURMSSA-N 2 1 224.304 0.361 20 0 BCADMP C[C@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121316 641134341 /nfs/dbraw/zinc/13/43/41/641134341.db2.gz KLQVBDPJFVJQGQ-JTQLQIEISA-N 2 1 200.326 0.641 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307930539 641194353 /nfs/dbraw/zinc/19/43/53/641194353.db2.gz BHOGBDRTFIGQOA-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307930539 641194356 /nfs/dbraw/zinc/19/43/56/641194356.db2.gz BHOGBDRTFIGQOA-DTWKUNHWSA-N 2 1 240.269 0.970 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929703803 641406830 /nfs/dbraw/zinc/40/68/30/641406830.db2.gz UPTIGGGAWNPIFD-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929703803 641406834 /nfs/dbraw/zinc/40/68/34/641406834.db2.gz UPTIGGGAWNPIFD-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703803 641406838 /nfs/dbraw/zinc/40/68/38/641406838.db2.gz UPTIGGGAWNPIFD-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929703805 641407623 /nfs/dbraw/zinc/40/76/23/641407623.db2.gz UPTIGGGAWNPIFD-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929703805 641407627 /nfs/dbraw/zinc/40/76/27/641407627.db2.gz UPTIGGGAWNPIFD-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP C[C@H](O)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929703805 641407631 /nfs/dbraw/zinc/40/76/31/641407631.db2.gz UPTIGGGAWNPIFD-TUAOUCFPSA-N 2 1 230.352 0.002 20 0 BCADMP O=C(C[NH+]1CCCC1)NC12CC[NH+](CC1)C2 ZINC000913631974 641429279 /nfs/dbraw/zinc/42/92/79/641429279.db2.gz LBUSVLPXXBAZLF-UHFFFAOYSA-N 2 1 223.320 0.047 20 0 BCADMP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)CC[C@H]21 ZINC000913760942 641467913 /nfs/dbraw/zinc/46/79/13/641467913.db2.gz UJWGLDYEHQOEMF-ZYHUDNBSSA-N 2 1 248.330 0.505 20 0 BCADMP C[NH+](C)CCSC[C@@H]1C[N@H+](C)CCO1 ZINC000566067787 641543271 /nfs/dbraw/zinc/54/32/71/641543271.db2.gz CVWVZWLRRVIHMB-JTQLQIEISA-N 2 1 218.366 0.612 20 0 BCADMP C[NH+](C)CCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000566067787 641543277 /nfs/dbraw/zinc/54/32/77/641543277.db2.gz CVWVZWLRRVIHMB-JTQLQIEISA-N 2 1 218.366 0.612 20 0 BCADMP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156104059 641594879 /nfs/dbraw/zinc/59/48/79/641594879.db2.gz JVLXHWZWFXBPOR-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000044538793 641605815 /nfs/dbraw/zinc/60/58/15/641605815.db2.gz YINDNJDQXBLLOU-LBPRGKRZSA-N 2 1 241.379 0.964 20 0 BCADMP COC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225468769 641710173 /nfs/dbraw/zinc/71/01/73/641710173.db2.gz ITYHMKRSPRLNGQ-GMTAPVOTSA-N 2 1 216.325 0.053 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225865718 641712356 /nfs/dbraw/zinc/71/23/56/641712356.db2.gz CISVCRYDICWQSD-QWRGUYRKSA-N 2 1 216.325 0.055 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000950490664 641924925 /nfs/dbraw/zinc/92/49/25/641924925.db2.gz CMZIULONAYBAOC-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950490664 641924933 /nfs/dbraw/zinc/92/49/33/641924933.db2.gz CMZIULONAYBAOC-GFCCVEGCSA-N 2 1 239.363 0.635 20 0 BCADMP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925433177 642002640 /nfs/dbraw/zinc/00/26/40/642002640.db2.gz WOIVUTNSUOJIFV-SNVBAGLBSA-N 2 1 242.367 0.330 20 0 BCADMP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031384659 642049949 /nfs/dbraw/zinc/04/99/49/642049949.db2.gz IKUNYDRKZXXQGS-LLVKDONJSA-N 2 1 239.363 0.395 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930001215 642139213 /nfs/dbraw/zinc/13/92/13/642139213.db2.gz SCIZLDVEADZFJO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930001215 642139220 /nfs/dbraw/zinc/13/92/20/642139220.db2.gz SCIZLDVEADZFJO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930001215 642139227 /nfs/dbraw/zinc/13/92/27/642139227.db2.gz SCIZLDVEADZFJO-SRVKXCTJSA-N 2 1 230.352 0.002 20 0 BCADMP CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577955 642331670 /nfs/dbraw/zinc/33/16/70/642331670.db2.gz RUNUVWWJAFLGNU-LBPRGKRZSA-N 2 1 239.363 0.539 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307940713 642350027 /nfs/dbraw/zinc/35/00/27/642350027.db2.gz NHKYRKWJFFPSFR-XHNCKOQMSA-N 2 1 240.269 0.969 20 0 BCADMP C[NH+](C)CCCNC(=S)N[C@@H]1CC[N@@H+](C)C1 ZINC000919717433 642380340 /nfs/dbraw/zinc/38/03/40/642380340.db2.gz HFWXJLXJTWDYAH-SNVBAGLBSA-N 2 1 244.408 0.106 20 0 BCADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021893449 642438918 /nfs/dbraw/zinc/43/89/18/642438918.db2.gz BFQQTCPVKABHKH-GRYCIOLGSA-N 2 1 239.363 0.727 20 0 BCADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000253267472 642632723 /nfs/dbraw/zinc/63/27/23/642632723.db2.gz YGDVMBHWLBSVPP-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000253267472 642632726 /nfs/dbraw/zinc/63/27/26/642632726.db2.gz YGDVMBHWLBSVPP-GHMZBOCLSA-N 2 1 239.363 0.524 20 0 BCADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961149882 642681103 /nfs/dbraw/zinc/68/11/03/642681103.db2.gz NNOVQZNCVQRYFL-PJXYFTJBSA-N 2 1 248.330 0.258 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961149882 642681107 /nfs/dbraw/zinc/68/11/07/642681107.db2.gz NNOVQZNCVQRYFL-PJXYFTJBSA-N 2 1 248.330 0.258 20 0 BCADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000233779468 642694613 /nfs/dbraw/zinc/69/46/13/642694613.db2.gz JYFCLNQRRADIEP-ZJUUUORDSA-N 2 1 200.326 0.999 20 0 BCADMP CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000961642830 642699480 /nfs/dbraw/zinc/69/94/80/642699480.db2.gz XDVQBQZXKSODKB-MCIGGMRASA-N 2 1 239.363 0.585 20 0 BCADMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962579183 642730538 /nfs/dbraw/zinc/73/05/38/642730538.db2.gz QUNWYFMTJWEQHT-PJXYFTJBSA-N 2 1 248.330 0.258 20 0 BCADMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962579183 642730545 /nfs/dbraw/zinc/73/05/45/642730545.db2.gz QUNWYFMTJWEQHT-PJXYFTJBSA-N 2 1 248.330 0.258 20 0 BCADMP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068808949 642802157 /nfs/dbraw/zinc/80/21/57/642802157.db2.gz XLRKMFULWHGXLB-LLVKDONJSA-N 2 1 241.383 0.002 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967923936 642805162 /nfs/dbraw/zinc/80/51/62/642805162.db2.gz CJVBALHJRRXTKT-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000068890905 642806295 /nfs/dbraw/zinc/80/62/95/642806295.db2.gz JRAGREYLGPEALV-VWYCJHECSA-N 2 1 216.325 0.195 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000068890905 642806298 /nfs/dbraw/zinc/80/62/98/642806298.db2.gz JRAGREYLGPEALV-VWYCJHECSA-N 2 1 216.325 0.195 20 0 BCADMP OC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000238713252 642832219 /nfs/dbraw/zinc/83/22/19/642832219.db2.gz UQSBAUOFSIBDTN-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC000252208577 642887975 /nfs/dbraw/zinc/88/79/75/642887975.db2.gz XPPADZHVTXIMON-WOPDTQHZSA-N 2 1 211.353 0.763 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC000252208577 642887979 /nfs/dbraw/zinc/88/79/79/642887979.db2.gz XPPADZHVTXIMON-WOPDTQHZSA-N 2 1 211.353 0.763 20 0 BCADMP Cc1nonc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000069795652 642906012 /nfs/dbraw/zinc/90/60/12/642906012.db2.gz GEVLHPRSGFQCQU-UHFFFAOYSA-N 2 1 224.308 0.939 20 0 BCADMP CN(CC1OCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000182343132 642999206 /nfs/dbraw/zinc/99/92/06/642999206.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 1 228.336 0.633 20 0 BCADMP COC(OC)[C@@H](C)NC1CC[NH+](C)CC1 ZINC000070622329 643049302 /nfs/dbraw/zinc/04/93/02/643049302.db2.gz NVHKGAPMKGWOJK-SECBINFHSA-N 2 1 216.325 0.678 20 0 BCADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946165 643086270 /nfs/dbraw/zinc/08/62/70/643086270.db2.gz XXQNMIJRLYJCMR-SNVBAGLBSA-N 2 1 227.352 0.714 20 0 BCADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000070967166 643089844 /nfs/dbraw/zinc/08/98/44/643089844.db2.gz FPBNURGFVNEMKH-NSHDSACASA-N 2 1 210.321 0.992 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304411154 643113864 /nfs/dbraw/zinc/11/38/64/643113864.db2.gz YATZHDPTWWWOLS-WDEREUQCSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NC1CC1)C(C)C ZINC000066246540 643164923 /nfs/dbraw/zinc/16/49/23/643164923.db2.gz DRANZZCAWWLIHK-UHFFFAOYSA-N 2 1 212.341 0.783 20 0 BCADMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245751 643165280 /nfs/dbraw/zinc/16/52/80/643165280.db2.gz OZIHSZJRWMEBFS-UWVGGRQHSA-N 2 1 228.340 0.020 20 0 BCADMP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969409524 643168138 /nfs/dbraw/zinc/16/81/38/643168138.db2.gz CKHKDTULTUFSEW-JQWIXIFHSA-N 2 1 239.363 0.537 20 0 BCADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020589756 643222319 /nfs/dbraw/zinc/22/23/19/643222319.db2.gz BITUELQICLHCJD-BJDJZHNGSA-N 2 1 239.363 0.441 20 0 BCADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCCOC ZINC000081781400 643292013 /nfs/dbraw/zinc/29/20/13/643292013.db2.gz BONAOJVMJPXMLG-UHFFFAOYSA-N 2 1 230.356 0.269 20 0 BCADMP CC[N@@H+](CCC(N)=O)CCn1cc[nH+]c1C ZINC000932480745 643304880 /nfs/dbraw/zinc/30/48/80/643304880.db2.gz ZCNVALLBCYXLLN-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CC[N@H+](CCC(N)=O)CCn1cc[nH+]c1C ZINC000932480745 643304887 /nfs/dbraw/zinc/30/48/87/643304887.db2.gz ZCNVALLBCYXLLN-UHFFFAOYSA-N 2 1 224.308 0.389 20 0 BCADMP CCS(=O)(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475088 643320001 /nfs/dbraw/zinc/32/00/01/643320001.db2.gz MVLZLBKIAKRACE-SNVBAGLBSA-N 2 1 248.392 0.480 20 0 BCADMP O=C1OCC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843386600 643362654 /nfs/dbraw/zinc/36/26/54/643362654.db2.gz AVUGDDLCZRXBMD-WOPDTQHZSA-N 2 1 238.331 0.623 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000068953487 643436804 /nfs/dbraw/zinc/43/68/04/643436804.db2.gz QQQRZAMGJOPCNA-LLVKDONJSA-N 2 1 216.325 0.068 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970482350 643442204 /nfs/dbraw/zinc/44/22/04/643442204.db2.gz UGUJUXRWJBIXGH-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000733868856 643475619 /nfs/dbraw/zinc/47/56/19/643475619.db2.gz CTIIUWRBHJATQY-NEPJUHHUSA-N 2 1 241.379 0.783 20 0 BCADMP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315805 643493819 /nfs/dbraw/zinc/49/38/19/643493819.db2.gz WYHGQZBBJZDLLP-SDDRHHMPSA-N 2 1 237.347 0.386 20 0 BCADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315805 643493822 /nfs/dbraw/zinc/49/38/22/643493822.db2.gz WYHGQZBBJZDLLP-SDDRHHMPSA-N 2 1 237.347 0.386 20 0 BCADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315805 643493824 /nfs/dbraw/zinc/49/38/24/643493824.db2.gz WYHGQZBBJZDLLP-SDDRHHMPSA-N 2 1 237.347 0.386 20 0 BCADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032315805 643493827 /nfs/dbraw/zinc/49/38/27/643493827.db2.gz WYHGQZBBJZDLLP-SDDRHHMPSA-N 2 1 237.347 0.386 20 0 BCADMP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000084216450 643551351 /nfs/dbraw/zinc/55/13/51/643551351.db2.gz COJMUPZLSYQHLP-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000084216450 643551362 /nfs/dbraw/zinc/55/13/62/643551362.db2.gz COJMUPZLSYQHLP-GRYCIOLGSA-N 2 1 211.353 0.798 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221658 643651991 /nfs/dbraw/zinc/65/19/91/643651991.db2.gz YBDKNCOPKSIPNA-NEPJUHHUSA-N 2 1 229.368 0.282 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221658 643651994 /nfs/dbraw/zinc/65/19/94/643651994.db2.gz YBDKNCOPKSIPNA-NEPJUHHUSA-N 2 1 229.368 0.282 20 0 BCADMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000085015152 643679104 /nfs/dbraw/zinc/67/91/04/643679104.db2.gz PDKHKNPAYGMGQI-PWSUYJOCSA-N 2 1 222.336 0.979 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000085014750 643679211 /nfs/dbraw/zinc/67/92/11/643679211.db2.gz VTUZOQUAWNNLKB-OUAUKWLOSA-N 2 1 246.376 0.233 20 0 BCADMP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998730866 643720560 /nfs/dbraw/zinc/72/05/60/643720560.db2.gz LDWIPRFEHBXQQK-NWDGAFQWSA-N 2 1 239.363 0.681 20 0 BCADMP CC[C@H](CO)[NH+]1CCC([NH+](C)C)CC1 ZINC000929264419 643865754 /nfs/dbraw/zinc/86/57/54/643865754.db2.gz SBWMGTLIEUNKRA-SNVBAGLBSA-N 2 1 200.326 0.783 20 0 BCADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922274380 643944303 /nfs/dbraw/zinc/94/43/03/643944303.db2.gz XVHAAFZHDFFRHX-UHFFFAOYSA-N 2 1 232.287 0.853 20 0 BCADMP CCO[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000922757767 644086950 /nfs/dbraw/zinc/08/69/50/644086950.db2.gz LSVRYJJIQSCPBN-XQQFMLRXSA-N 2 1 243.395 0.493 20 0 BCADMP CCO[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000922757766 644087863 /nfs/dbraw/zinc/08/78/63/644087863.db2.gz LSVRYJJIQSCPBN-UPJWGTAASA-N 2 1 243.395 0.493 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638472 644159040 /nfs/dbraw/zinc/15/90/40/644159040.db2.gz WAHPEFICSZQMIK-SNVBAGLBSA-N 2 1 218.341 0.301 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288970 644322981 /nfs/dbraw/zinc/32/29/81/644322981.db2.gz NGLNVBOQDKMGBI-OPRDCNLKSA-N 2 1 218.366 0.379 20 0 BCADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)CSC)C1 ZINC000923283740 644308465 /nfs/dbraw/zinc/30/84/65/644308465.db2.gz XVIOHBYCSXKVRS-MNOVXSKESA-N 2 1 232.393 0.642 20 0 BCADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)CSC)C1 ZINC000923283742 644310062 /nfs/dbraw/zinc/31/00/62/644310062.db2.gz XVIOHBYCSXKVRS-WDEREUQCSA-N 2 1 232.393 0.642 20 0 BCADMP CC(C)OCC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279385 644313010 /nfs/dbraw/zinc/31/30/10/644313010.db2.gz NDBAFFPQVXRXIJ-ZDUSSCGKSA-N 2 1 244.379 0.846 20 0 BCADMP CCOCCOCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923281033 644314821 /nfs/dbraw/zinc/31/48/21/644314821.db2.gz CMXUSLUOJLAXPV-ZDUSSCGKSA-N 2 1 244.379 0.971 20 0 BCADMP CCOCC[C@@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923285363 644318726 /nfs/dbraw/zinc/31/87/26/644318726.db2.gz AJHLEUICBIHZBQ-GFCCVEGCSA-N 2 1 230.352 0.458 20 0 BCADMP CCOCCOCC[NH+]1CCC([NH2+]C)CC1 ZINC000923286043 644321345 /nfs/dbraw/zinc/32/13/45/644321345.db2.gz GASPSLKTNLTPEI-UHFFFAOYSA-N 2 1 230.352 0.723 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000923289222 644322535 /nfs/dbraw/zinc/32/25/35/644322535.db2.gz HEXXVDRIOKCZHE-UWVGGRQHSA-N 2 1 218.366 0.252 20 0 BCADMP C[N@@H+](CCC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923290368 644322922 /nfs/dbraw/zinc/32/29/22/644322922.db2.gz IILKGGGTFSUHGM-CYBMUJFWSA-N 2 1 222.332 0.871 20 0 BCADMP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923288635 644324140 /nfs/dbraw/zinc/32/41/40/644324140.db2.gz LVKXYBAYCPBRGY-GMTAPVOTSA-N 2 1 232.393 0.770 20 0 BCADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923288635 644324146 /nfs/dbraw/zinc/32/41/46/644324146.db2.gz LVKXYBAYCPBRGY-GMTAPVOTSA-N 2 1 232.393 0.770 20 0 BCADMP C[NH2+]C1CC[NH+](C[C@@H](O)CCOC(C)C)CC1 ZINC000923288689 644324475 /nfs/dbraw/zinc/32/44/75/644324475.db2.gz ZUXAORCOKABWDL-ZDUSSCGKSA-N 2 1 244.379 0.846 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923290263 644324637 /nfs/dbraw/zinc/32/46/37/644324637.db2.gz DPOCFVICNWTLNE-LLVKDONJSA-N 2 1 218.341 0.301 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923290788 644327064 /nfs/dbraw/zinc/32/70/64/644327064.db2.gz NTEHMRKAPWVZID-LBPRGKRZSA-N 2 1 230.352 0.581 20 0 BCADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923291768 644328998 /nfs/dbraw/zinc/32/89/98/644328998.db2.gz UNJVEXFUSWMCFW-JHJVBQTASA-N 2 1 244.379 0.689 20 0 BCADMP CC(C)[C@@](C)(CN)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923295918 644331511 /nfs/dbraw/zinc/33/15/11/644331511.db2.gz KHRAEVZGERWZDI-NWDGAFQWSA-N 2 1 241.379 0.328 20 0 BCADMP O=C1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923297954 644334141 /nfs/dbraw/zinc/33/41/41/644334141.db2.gz QNYMBMRVODTNCP-YOGCLGLASA-N 2 1 237.347 0.339 20 0 BCADMP O=C1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923297954 644334145 /nfs/dbraw/zinc/33/41/45/644334145.db2.gz QNYMBMRVODTNCP-YOGCLGLASA-N 2 1 237.347 0.339 20 0 BCADMP COCCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308220 644337935 /nfs/dbraw/zinc/33/79/35/644337935.db2.gz AFAPWIOCAWGLEJ-NSHDSACASA-N 2 1 228.336 0.333 20 0 BCADMP CCO[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306891 644338140 /nfs/dbraw/zinc/33/81/40/644338140.db2.gz VSJXDFCYTBQJQW-BJDJZHNGSA-N 2 1 228.336 0.338 20 0 BCADMP OCCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923317106 644342933 /nfs/dbraw/zinc/34/29/33/644342933.db2.gz YTGGKYKSWZVJFI-GFCCVEGCSA-N 2 1 240.347 0.212 20 0 BCADMP C[C@H]1CSCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315292 644343663 /nfs/dbraw/zinc/34/36/63/644343663.db2.gz FWHFWNPRZMMCTG-QWRGUYRKSA-N 2 1 242.388 0.802 20 0 BCADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315736 644343686 /nfs/dbraw/zinc/34/36/86/644343686.db2.gz ZBSNNMLXIQOOCR-RYUDHWBXSA-N 2 1 240.347 0.333 20 0 BCADMP C[C@@H]1CSCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315290 644344323 /nfs/dbraw/zinc/34/43/23/644344323.db2.gz FWHFWNPRZMMCTG-GHMZBOCLSA-N 2 1 242.388 0.802 20 0 BCADMP CSC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329309 644345931 /nfs/dbraw/zinc/34/59/31/644345931.db2.gz RQGJGTIQINBVBK-AYLPWXGPSA-N 2 1 244.404 0.925 20 0 BCADMP C[N@@H+](CC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309947 644346034 /nfs/dbraw/zinc/34/60/34/644346034.db2.gz QEANIYVTOOVCIW-GUBZILKMSA-N 2 1 200.326 0.815 20 0 BCADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(C)(C)O1 ZINC000923309421 644346663 /nfs/dbraw/zinc/34/66/63/644346663.db2.gz VWMZINGGUCNAGR-NAKRPEOUSA-N 2 1 228.336 0.336 20 0 BCADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC(C)(C)O1 ZINC000923309421 644346666 /nfs/dbraw/zinc/34/66/66/644346666.db2.gz VWMZINGGUCNAGR-NAKRPEOUSA-N 2 1 228.336 0.336 20 0 BCADMP NC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923309177 644347067 /nfs/dbraw/zinc/34/70/67/644347067.db2.gz LWMPFMRHGYGPFR-LBPRGKRZSA-N 2 1 239.363 0.858 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328111 644347624 /nfs/dbraw/zinc/34/76/24/644347624.db2.gz KGMDMWMPEZVAGN-RWMBFGLXSA-N 2 1 242.363 0.458 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000923311053 644347760 /nfs/dbraw/zinc/34/77/60/644347760.db2.gz GDERFQOKEFEXQD-GHMZBOCLSA-N 2 1 226.320 0.086 20 0 BCADMP CC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923330812 644348638 /nfs/dbraw/zinc/34/86/38/644348638.db2.gz JRKYJWASPLVKPF-NSHDSACASA-N 2 1 212.337 0.833 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330678 644349841 /nfs/dbraw/zinc/34/98/41/644349841.db2.gz CDHSFNSYCXVAIF-WDEREUQCSA-N 2 1 230.377 0.396 20 0 BCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330355 644350477 /nfs/dbraw/zinc/35/04/77/644350477.db2.gz CSKWZPSFUATFIK-SDDRHHMPSA-N 3 1 239.363 0.034 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923333731 644353664 /nfs/dbraw/zinc/35/36/64/644353664.db2.gz RVMHUFRKEIJQNE-LNFKQOIKSA-N 2 1 230.377 0.379 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923333732 644354158 /nfs/dbraw/zinc/35/41/58/644354158.db2.gz RVMHUFRKEIJQNE-VLEAKVRGSA-N 2 1 230.377 0.379 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336168 644356589 /nfs/dbraw/zinc/35/65/89/644356589.db2.gz QXUKSJMTTMFRKX-OLZOCXBDSA-N 2 1 244.379 0.848 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336170 644357311 /nfs/dbraw/zinc/35/73/11/644357311.db2.gz QXUKSJMTTMFRKX-STQMWFEESA-N 2 1 244.379 0.848 20 0 BCADMP OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358141 644366199 /nfs/dbraw/zinc/36/61/99/644366199.db2.gz DJYIEIJVMHGTFV-RYUDHWBXSA-N 2 1 212.337 0.690 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923357680 644367230 /nfs/dbraw/zinc/36/72/30/644367230.db2.gz ZWCSCAWZYUGUBM-NWDGAFQWSA-N 2 1 230.352 0.445 20 0 BCADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923354254 644368914 /nfs/dbraw/zinc/36/89/14/644368914.db2.gz BAQUTOMSDNEPBH-QWHCGFSZSA-N 2 1 244.379 0.691 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923353988 644369656 /nfs/dbraw/zinc/36/96/56/644369656.db2.gz PHKFCGSEGGSLII-OLZOCXBDSA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923353990 644370363 /nfs/dbraw/zinc/37/03/63/644370363.db2.gz PHKFCGSEGGSLII-STQMWFEESA-N 2 1 244.379 0.977 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](CN)C1CC1 ZINC000923356276 644371864 /nfs/dbraw/zinc/37/18/64/644371864.db2.gz GPUXJJQUNMXSDF-VXGBXAGGSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](CN)C1CC1 ZINC000923356276 644371868 /nfs/dbraw/zinc/37/18/68/644371868.db2.gz GPUXJJQUNMXSDF-VXGBXAGGSA-N 2 1 239.363 0.034 20 0 BCADMP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356276 644371873 /nfs/dbraw/zinc/37/18/73/644371873.db2.gz GPUXJJQUNMXSDF-VXGBXAGGSA-N 3 1 239.363 0.034 20 0 BCADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356276 644371878 /nfs/dbraw/zinc/37/18/78/644371878.db2.gz GPUXJJQUNMXSDF-VXGBXAGGSA-N 3 1 239.363 0.034 20 0 BCADMP CSC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355103 644373149 /nfs/dbraw/zinc/37/31/49/644373149.db2.gz GSSSWCWRQOEIQZ-VHSXEESVSA-N 2 1 218.366 0.381 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356610 644375388 /nfs/dbraw/zinc/37/53/88/644375388.db2.gz SZVDZSMATJKDIH-LBPRGKRZSA-N 2 1 230.352 0.710 20 0 BCADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372580 644375701 /nfs/dbraw/zinc/37/57/01/644375701.db2.gz ILJMYGBYHKGLPD-ZDUSSCGKSA-N 2 1 247.342 0.892 20 0 BCADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363732 644376047 /nfs/dbraw/zinc/37/60/47/644376047.db2.gz DRUPOWOEFBIWQD-SDDRHHMPSA-N 2 1 212.337 0.831 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367591 644379458 /nfs/dbraw/zinc/37/94/58/644379458.db2.gz IJJDXAZJUWLRQY-NXEZZACHSA-N 2 1 218.341 0.347 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923369233 644380176 /nfs/dbraw/zinc/38/01/76/644380176.db2.gz IXZDQIISLITWSI-GWOFURMSSA-N 2 1 232.393 0.686 20 0 BCADMP CSC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923369236 644381856 /nfs/dbraw/zinc/38/18/56/644381856.db2.gz IXZDQIISLITWSI-UKKRHICBSA-N 2 1 232.393 0.686 20 0 BCADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369107 644381912 /nfs/dbraw/zinc/38/19/12/644381912.db2.gz VXSNTQOERVERFT-MNOVXSKESA-N 3 1 241.379 0.328 20 0 BCADMP CCOC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923371634 644384105 /nfs/dbraw/zinc/38/41/05/644384105.db2.gz CNYKXHAZTFZBLG-OLZOCXBDSA-N 2 1 244.379 0.881 20 0 BCADMP c1ncn([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923372304 644384196 /nfs/dbraw/zinc/38/41/96/644384196.db2.gz ZOHLYFYBBXTQKO-LBPRGKRZSA-N 2 1 235.335 0.667 20 0 BCADMP c1ncn([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923372304 644384203 /nfs/dbraw/zinc/38/42/03/644384203.db2.gz ZOHLYFYBBXTQKO-LBPRGKRZSA-N 2 1 235.335 0.667 20 0 BCADMP COC[C@@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362604 644387268 /nfs/dbraw/zinc/38/72/68/644387268.db2.gz PGRPNCQLTGEQDZ-UPJWGTAASA-N 2 1 242.363 0.315 20 0 BCADMP COC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923372975 644388709 /nfs/dbraw/zinc/38/87/09/644388709.db2.gz KQHLXIGDHVXCKO-NEPJUHHUSA-N 2 1 230.352 0.491 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375414 644389105 /nfs/dbraw/zinc/38/91/05/644389105.db2.gz LVOZQISSKGUXPM-CHWSQXEVSA-N 2 1 244.379 0.956 20 0 BCADMP CC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923373462 644389322 /nfs/dbraw/zinc/38/93/22/644389322.db2.gz NBBSDJCEPSTZPF-ZRUFSTJUSA-N 2 1 200.326 0.733 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375415 644389961 /nfs/dbraw/zinc/38/99/61/644389961.db2.gz LVOZQISSKGUXPM-OLZOCXBDSA-N 2 1 244.379 0.956 20 0 BCADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923385311 644393187 /nfs/dbraw/zinc/39/31/87/644393187.db2.gz ZXDYGVSBYTYWHV-WOPDTQHZSA-N 2 1 240.347 0.210 20 0 BCADMP COC[C@@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923381496 644394921 /nfs/dbraw/zinc/39/49/21/644394921.db2.gz DOXPAEPRWMTMOQ-WYUUTHIRSA-N 2 1 230.352 0.299 20 0 BCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCO)C1 ZINC000923389923 644395829 /nfs/dbraw/zinc/39/58/29/644395829.db2.gz AGBXOXRNBVBGAS-GRYCIOLGSA-N 2 1 228.336 0.340 20 0 BCADMP C[C@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383714 644397005 /nfs/dbraw/zinc/39/70/05/644397005.db2.gz LXEHUCBZHDWIRT-QWRGUYRKSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391257 644397301 /nfs/dbraw/zinc/39/73/01/644397301.db2.gz XBJHXTHLFJDJER-CMPLNLGQSA-N 2 1 240.347 0.210 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](CCF)C2)C1 ZINC000923387783 644398673 /nfs/dbraw/zinc/39/86/73/644398673.db2.gz FPBUGLHESLACMC-RHYQMDGZSA-N 2 1 230.327 0.909 20 0 BCADMP COC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392180 644399855 /nfs/dbraw/zinc/39/98/55/644399855.db2.gz IBVUDNMZAPJEOW-CXQJBGSLSA-N 2 1 228.336 0.197 20 0 BCADMP COC[C@@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392180 644399861 /nfs/dbraw/zinc/39/98/61/644399861.db2.gz IBVUDNMZAPJEOW-CXQJBGSLSA-N 2 1 228.336 0.197 20 0 BCADMP CSC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923388744 644402528 /nfs/dbraw/zinc/40/25/28/644402528.db2.gz UKMADBZACLNDDT-SRVKXCTJSA-N 2 1 244.404 0.771 20 0 BCADMP CCOCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399112 644404339 /nfs/dbraw/zinc/40/43/39/644404339.db2.gz ODNQMTQUPLGGJE-VXGBXAGGSA-N 2 1 242.363 0.648 20 0 BCADMP CSC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923400530 644406006 /nfs/dbraw/zinc/40/60/06/644406006.db2.gz ZCEZQDNTFGVHII-MXWKQRLJSA-N 2 1 230.377 0.524 20 0 BCADMP CSC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923400530 644406012 /nfs/dbraw/zinc/40/60/12/644406012.db2.gz ZCEZQDNTFGVHII-MXWKQRLJSA-N 2 1 230.377 0.524 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392860 644409072 /nfs/dbraw/zinc/40/90/72/644409072.db2.gz LLEZJMHFQWUGMC-NWDGAFQWSA-N 2 1 230.352 0.851 20 0 BCADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392861 644409733 /nfs/dbraw/zinc/40/97/33/644409733.db2.gz LLEZJMHFQWUGMC-RYUDHWBXSA-N 2 1 230.352 0.851 20 0 BCADMP CCOCC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412647 644413392 /nfs/dbraw/zinc/41/33/92/644413392.db2.gz RYRJGHWVBNMZKV-STQMWFEESA-N 2 1 244.379 0.977 20 0 BCADMP CCOCC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412647 644413397 /nfs/dbraw/zinc/41/33/97/644413397.db2.gz RYRJGHWVBNMZKV-STQMWFEESA-N 2 1 244.379 0.977 20 0 BCADMP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411391 644415274 /nfs/dbraw/zinc/41/52/74/644415274.db2.gz OMVYIVCOWAYJCX-JHJVBQTASA-N 2 1 244.379 0.547 20 0 BCADMP CSC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923413856 644416472 /nfs/dbraw/zinc/41/64/72/644416472.db2.gz IVUVMCWTZRPTIK-SNVBAGLBSA-N 2 1 232.393 0.784 20 0 BCADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000923413359 644417056 /nfs/dbraw/zinc/41/70/56/644417056.db2.gz FLZUREKSSDQJJN-HTFCKZLJSA-N 2 1 242.388 0.522 20 0 BCADMP CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@H+]1C ZINC000923415555 644417579 /nfs/dbraw/zinc/41/75/79/644417579.db2.gz QSWCJNSKLAESEJ-RVMXOQNASA-N 2 1 241.379 0.109 20 0 BCADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1noc(C[NH3+])n1 ZINC000923436855 644427991 /nfs/dbraw/zinc/42/79/91/644427991.db2.gz QHISKRRPJIVLEI-HRDYMLBCSA-N 2 1 239.323 0.099 20 0 BCADMP CCOC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485206 644461251 /nfs/dbraw/zinc/46/12/51/644461251.db2.gz QEHFKKBALIIGDO-JTQLQIEISA-N 2 1 214.309 0.610 20 0 BCADMP COC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493154 644468163 /nfs/dbraw/zinc/46/81/63/644468163.db2.gz DWFFJVLMIJHDLW-UWVGGRQHSA-N 2 1 214.309 0.466 20 0 BCADMP CN(C)C(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869801 644452427 /nfs/dbraw/zinc/45/24/27/644452427.db2.gz FBLVHXPJSQEDNQ-UHFFFAOYSA-N 2 1 227.352 0.666 20 0 BCADMP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)[nH]1 ZINC000923480591 644458847 /nfs/dbraw/zinc/45/88/47/644458847.db2.gz JNYGTTAVJSGOBN-SCZZXKLOSA-N 2 1 223.324 0.845 20 0 BCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000923480633 644458993 /nfs/dbraw/zinc/45/89/93/644458993.db2.gz ZAUNMGRVJPOVTL-NSHDSACASA-N 2 1 248.330 0.691 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000923480630 644459527 /nfs/dbraw/zinc/45/95/27/644459527.db2.gz ZAUNMGRVJPOVTL-LLVKDONJSA-N 2 1 248.330 0.691 20 0 BCADMP Nc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccn1 ZINC000923480872 644460045 /nfs/dbraw/zinc/46/00/45/644460045.db2.gz LROOFNPBQUESFS-JTQLQIEISA-N 2 1 220.320 0.835 20 0 BCADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923495493 644461977 /nfs/dbraw/zinc/46/19/77/644461977.db2.gz WHWDZLCVXLGYNU-JHJVBQTASA-N 3 1 225.380 0.903 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495339 644462023 /nfs/dbraw/zinc/46/20/23/644462023.db2.gz BPNQYPSAASZUQE-VWYCJHECSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495336 644462511 /nfs/dbraw/zinc/46/25/11/644462511.db2.gz BPNQYPSAASZUQE-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491826 644466805 /nfs/dbraw/zinc/46/68/05/644466805.db2.gz UJEUUPRKYVQCQP-OUAUKWLOSA-N 2 1 200.326 0.938 20 0 BCADMP Cc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923492283 644467395 /nfs/dbraw/zinc/46/73/95/644467395.db2.gz BHMKDQVRQRPMHV-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923492283 644467398 /nfs/dbraw/zinc/46/73/98/644467398.db2.gz BHMKDQVRQRPMHV-PSASIEDQSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923492286 644468093 /nfs/dbraw/zinc/46/80/93/644468093.db2.gz BHMKDQVRQRPMHV-WCBMZHEXSA-N 2 1 224.308 0.795 20 0 BCADMP Cc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923492286 644468096 /nfs/dbraw/zinc/46/80/96/644468096.db2.gz BHMKDQVRQRPMHV-WCBMZHEXSA-N 2 1 224.308 0.795 20 0 BCADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923498975 644473388 /nfs/dbraw/zinc/47/33/88/644473388.db2.gz JMKGHRBRNUOVJR-JQWIXIFHSA-N 2 1 222.336 0.837 20 0 BCADMP C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1C[NH3+] ZINC000923500796 644473828 /nfs/dbraw/zinc/47/38/28/644473828.db2.gz PEPPXHGLDJVVOO-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1C[NH3+] ZINC000923500796 644473833 /nfs/dbraw/zinc/47/38/33/644473833.db2.gz PEPPXHGLDJVVOO-NXEZZACHSA-N 2 1 223.324 0.232 20 0 BCADMP Cn1nccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516325 644479640 /nfs/dbraw/zinc/47/96/40/644479640.db2.gz ZCTNJHKENIHFJC-WDEREUQCSA-N 2 1 220.320 0.461 20 0 BCADMP Cn1nccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516325 644479644 /nfs/dbraw/zinc/47/96/44/644479644.db2.gz ZCTNJHKENIHFJC-WDEREUQCSA-N 2 1 220.320 0.461 20 0 BCADMP CCOCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515990 644479729 /nfs/dbraw/zinc/47/97/29/644479729.db2.gz PVBBUKKYVODMSD-YNEHKIRRSA-N 2 1 242.363 0.315 20 0 BCADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923517555 644481349 /nfs/dbraw/zinc/48/13/49/644481349.db2.gz DYCNTKLBTCVPQX-VHSXEESVSA-N 2 1 207.277 0.716 20 0 BCADMP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923517555 644481353 /nfs/dbraw/zinc/48/13/53/644481353.db2.gz DYCNTKLBTCVPQX-VHSXEESVSA-N 2 1 207.277 0.716 20 0 BCADMP CCOC(=O)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516589 644481508 /nfs/dbraw/zinc/48/15/08/644481508.db2.gz KWFZBROPKAWNFU-WDEREUQCSA-N 2 1 226.320 0.481 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515816 644481520 /nfs/dbraw/zinc/48/15/20/644481520.db2.gz NIOHVPMMCYKWEC-FRRDWIJNSA-N 3 1 223.364 0.527 20 0 BCADMP C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515816 644481523 /nfs/dbraw/zinc/48/15/23/644481523.db2.gz NIOHVPMMCYKWEC-FRRDWIJNSA-N 2 1 223.364 0.527 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000923531334 644486828 /nfs/dbraw/zinc/48/68/28/644486828.db2.gz OJTPXDXIBPFNRL-CFGSLIKFSA-N 2 1 237.347 0.324 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000923531334 644486833 /nfs/dbraw/zinc/48/68/33/644486833.db2.gz OJTPXDXIBPFNRL-CFGSLIKFSA-N 2 1 237.347 0.324 20 0 BCADMP CC[NH2+]CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164377 644512067 /nfs/dbraw/zinc/51/20/67/644512067.db2.gz UWYSNFWDZKHPLF-YOGCLGLASA-N 2 1 239.363 0.727 20 0 BCADMP COCC[N@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250005069 644745991 /nfs/dbraw/zinc/74/59/91/644745991.db2.gz SORSXPKQUKCVLV-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COCC[N@@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250005069 644745994 /nfs/dbraw/zinc/74/59/94/644745994.db2.gz SORSXPKQUKCVLV-STQMWFEESA-N 2 1 243.395 0.672 20 0 BCADMP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250486416 644759595 /nfs/dbraw/zinc/75/95/95/644759595.db2.gz ZDUNZHIDHANVMN-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250486416 644759601 /nfs/dbraw/zinc/75/96/01/644759601.db2.gz ZDUNZHIDHANVMN-UPJWGTAASA-N 2 1 242.363 0.600 20 0 BCADMP CCOC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250470030 644759902 /nfs/dbraw/zinc/75/99/02/644759902.db2.gz CLLYOQQSWSSCOH-HNGCFSAESA-N 2 1 242.363 0.599 20 0 BCADMP CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250465316 644760253 /nfs/dbraw/zinc/76/02/53/644760253.db2.gz BEJWFVPVESHPKU-RYUDHWBXSA-N 2 1 230.352 0.587 20 0 BCADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251115399 644794283 /nfs/dbraw/zinc/79/42/83/644794283.db2.gz VESSJJYNVOZTFD-DCAQKATOSA-N 2 1 200.326 0.959 20 0 BCADMP C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000251888211 644829928 /nfs/dbraw/zinc/82/99/28/644829928.db2.gz VICNZOXVPXNTNV-STQMWFEESA-N 2 1 241.379 0.235 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304411146 644905436 /nfs/dbraw/zinc/90/54/36/644905436.db2.gz YATZHDPTWWWOLS-GHMZBOCLSA-N 2 1 225.336 0.324 20 0 BCADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1OC ZINC000252785457 644906581 /nfs/dbraw/zinc/90/65/81/644906581.db2.gz PCOVWRHHOGRSDI-JHJVBQTASA-N 2 1 242.363 0.863 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252795134 644907629 /nfs/dbraw/zinc/90/76/29/644907629.db2.gz ZYFJCQAREHTESE-HBNTYKKESA-N 2 1 216.325 0.053 20 0 BCADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000304531093 644914959 /nfs/dbraw/zinc/91/49/59/644914959.db2.gz IRYSQZAIGVAAAF-NSHDSACASA-N 2 1 224.352 0.608 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@H+](C)C1 ZINC000252949447 644927151 /nfs/dbraw/zinc/92/71/51/644927151.db2.gz BZDGCWKDRHNOEM-GRYCIOLGSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](C)C1 ZINC000252949447 644927155 /nfs/dbraw/zinc/92/71/55/644927155.db2.gz BZDGCWKDRHNOEM-GRYCIOLGSA-N 2 1 227.352 0.047 20 0 BCADMP [NH3+]C[C@@H]1C[N@H+](CCF)CC12CCOCC2 ZINC000843388533 645288288 /nfs/dbraw/zinc/28/82/88/645288288.db2.gz QTUSLXDXTVTMQT-SNVBAGLBSA-N 2 1 216.300 0.643 20 0 BCADMP [NH3+]C[C@@H]1C[N@@H+](CCF)CC12CCOCC2 ZINC000843388533 645288292 /nfs/dbraw/zinc/28/82/92/645288292.db2.gz QTUSLXDXTVTMQT-SNVBAGLBSA-N 2 1 216.300 0.643 20 0 BCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000844187356 645316317 /nfs/dbraw/zinc/31/63/17/645316317.db2.gz GISIFHMDLBRPSI-ZYHUDNBSSA-N 2 1 239.363 0.572 20 0 BCADMP C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000844187009 645316415 /nfs/dbraw/zinc/31/64/15/645316415.db2.gz BEZPWUWLZMVXOA-WCQYABFASA-N 2 1 239.363 0.444 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000926768870 645414582 /nfs/dbraw/zinc/41/45/82/645414582.db2.gz FGIUZEPBBXSZNC-ZSLJRAHMSA-N 2 1 224.348 0.687 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C(F)F ZINC000926782442 645428905 /nfs/dbraw/zinc/42/89/05/645428905.db2.gz BEXRQGLHJLANNW-GZBOUJLJSA-N 2 1 248.317 0.932 20 0 BCADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(C(N)=O)C1 ZINC000926810619 645441734 /nfs/dbraw/zinc/44/17/34/645441734.db2.gz UOCHEZCRGXLUHI-MXSCYXCISA-N 2 1 237.347 0.180 20 0 BCADMP CNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849023914 645447660 /nfs/dbraw/zinc/44/76/60/645447660.db2.gz LUAZRTZYLFNYHO-SECBINFHSA-N 2 1 212.341 0.851 20 0 BCADMP CCO[C@@H](C[NH2+][C@H](C)CCO)C[NH+](C)C ZINC000926959969 645502756 /nfs/dbraw/zinc/50/27/56/645502756.db2.gz LJSVQOAZAAHWDN-MNOVXSKESA-N 2 1 218.341 0.314 20 0 BCADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425116 645741362 /nfs/dbraw/zinc/74/13/62/645741362.db2.gz HBSOCWRSQABMFL-GMTAPVOTSA-N 2 1 227.352 0.535 20 0 BCADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC000928427401 645743627 /nfs/dbraw/zinc/74/36/27/645743627.db2.gz JYPJTXNQMRDZSE-WDEREUQCSA-N 2 1 237.347 0.291 20 0 BCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+](C)C ZINC000928429758 645746789 /nfs/dbraw/zinc/74/67/89/645746789.db2.gz RVTLXEODLYPVEC-IVZWLZJFSA-N 2 1 213.325 0.145 20 0 BCADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371959 645792966 /nfs/dbraw/zinc/79/29/66/645792966.db2.gz SAALMCPXAWVECB-WCQYABFASA-N 2 1 248.330 0.259 20 0 BCADMP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C ZINC000928562919 645822836 /nfs/dbraw/zinc/82/28/36/645822836.db2.gz LTHZYNRCNYJXQZ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C ZINC000928562919 645822840 /nfs/dbraw/zinc/82/28/40/645822840.db2.gz LTHZYNRCNYJXQZ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928562919 645822843 /nfs/dbraw/zinc/82/28/43/645822843.db2.gz LTHZYNRCNYJXQZ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928562919 645822846 /nfs/dbraw/zinc/82/28/46/645822846.db2.gz LTHZYNRCNYJXQZ-SNVBAGLBSA-N 2 1 213.325 0.149 20 0 BCADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886839578 645891028 /nfs/dbraw/zinc/89/10/28/645891028.db2.gz HWDQSDCQHRMFPZ-NWDGAFQWSA-N 2 1 212.337 0.954 20 0 BCADMP CC[N@@H+](CCNC(=[NH2+])NC(C)C)C1CC1 ZINC000221887075 645893907 /nfs/dbraw/zinc/89/39/07/645893907.db2.gz ZIISKQARNXEIAY-UHFFFAOYSA-N 2 1 212.341 0.993 20 0 BCADMP Cn1nccc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924645522 646084916 /nfs/dbraw/zinc/08/49/16/646084916.db2.gz ZCJJJXHENMHULV-QYJAPNMZSA-N 2 1 234.347 0.850 20 0 BCADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000924653221 646086552 /nfs/dbraw/zinc/08/65/52/646086552.db2.gz HTXKVYOOYYFCHC-VXGBXAGGSA-N 2 1 230.352 0.579 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929750036 646280590 /nfs/dbraw/zinc/28/05/90/646280590.db2.gz RTSWHOFYHHYHAO-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)O)C1 ZINC000929750036 646280597 /nfs/dbraw/zinc/28/05/97/646280597.db2.gz RTSWHOFYHHYHAO-AVGNSLFASA-N 2 1 244.379 0.392 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1NCC[NH+]1CCSCC1 ZINC000925479522 646292982 /nfs/dbraw/zinc/29/29/82/646292982.db2.gz BUTIOLXRHWIFFW-LLVKDONJSA-N 2 1 243.420 0.765 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)CO)C1 ZINC000929762598 646294572 /nfs/dbraw/zinc/29/45/72/646294572.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929762598 646294575 /nfs/dbraw/zinc/29/45/75/646294575.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 1 242.363 0.003 20 0 BCADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CO)C1 ZINC000929762598 646294579 /nfs/dbraw/zinc/29/45/79/646294579.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC000929762598 646294581 /nfs/dbraw/zinc/29/45/81/646294581.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 1 242.363 0.003 20 0 BCADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC000929762598 646294583 /nfs/dbraw/zinc/29/45/83/646294583.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 1 242.363 0.003 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779150 646306841 /nfs/dbraw/zinc/30/68/41/646306841.db2.gz DUYZYUMDCAWYAI-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779150 646306845 /nfs/dbraw/zinc/30/68/45/646306845.db2.gz DUYZYUMDCAWYAI-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779150 646306849 /nfs/dbraw/zinc/30/68/49/646306849.db2.gz DUYZYUMDCAWYAI-SDDRHHMPSA-N 2 1 230.352 0.144 20 0 BCADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)CC[N@H+]1C ZINC000925515364 646310033 /nfs/dbraw/zinc/31/00/33/646310033.db2.gz HSMJNKFPKQBPJI-WOPDTQHZSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H](Cn1cncn1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925512076 646310902 /nfs/dbraw/zinc/31/09/02/646310902.db2.gz ZDHZQZIPHQQVNJ-HDLKOFKZSA-N 2 1 247.346 0.253 20 0 BCADMP COCC[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925543986 646318171 /nfs/dbraw/zinc/31/81/71/646318171.db2.gz PAIBTRIJKIWXJI-QWHCGFSZSA-N 2 1 243.395 0.685 20 0 BCADMP C1C[N@H+]2CCCC[C@H]2[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553550 646332142 /nfs/dbraw/zinc/33/21/42/646332142.db2.gz QQEUUUMSZQXQDS-AGIUHOORSA-N 2 1 239.363 0.191 20 0 BCADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565736 646332281 /nfs/dbraw/zinc/33/22/81/646332281.db2.gz XKHSXDNVUZCYFI-MNOVXSKESA-N 2 1 211.353 0.811 20 0 BCADMP C1C[C@@H]2C[C@H](N[C@@H]3C[NH2+]CCOC3)CC[N@H+]2C1 ZINC000925562851 646335485 /nfs/dbraw/zinc/33/54/85/646335485.db2.gz QWPOKLKRWPCWCI-JHJVBQTASA-N 2 1 239.363 0.191 20 0 BCADMP C[C@@H]1NCCC[C@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925566960 646337902 /nfs/dbraw/zinc/33/79/02/646337902.db2.gz MRABNFCORAJXKU-YNEHKIRRSA-N 2 1 242.363 0.770 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925607505 646349417 /nfs/dbraw/zinc/34/94/17/646349417.db2.gz CAHYBEOVINGGIT-WDEREUQCSA-N 2 1 228.336 0.258 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925610911 646360335 /nfs/dbraw/zinc/36/03/35/646360335.db2.gz ITLLZYCFIAPYFC-GXSJLCMTSA-N 2 1 216.325 0.114 20 0 BCADMP COC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925610912 646360677 /nfs/dbraw/zinc/36/06/77/646360677.db2.gz ITLLZYCFIAPYFC-KOLCDFICSA-N 2 1 216.325 0.114 20 0 BCADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925609880 646360921 /nfs/dbraw/zinc/36/09/21/646360921.db2.gz BCGNUBKZHMDHEE-HBNTYKKESA-N 2 1 244.404 0.973 20 0 BCADMP OCCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925612747 646363177 /nfs/dbraw/zinc/36/31/77/646363177.db2.gz UWHTZMGQGOKPQE-NSHDSACASA-N 2 1 228.336 0.260 20 0 BCADMP C[N@@H+]1CCO[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925620186 646367919 /nfs/dbraw/zinc/36/79/19/646367919.db2.gz FJSXZIHVNCPDRW-WDEREUQCSA-N 2 1 227.352 0.047 20 0 BCADMP C[N@H+]1CCO[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925620186 646367922 /nfs/dbraw/zinc/36/79/22/646367922.db2.gz FJSXZIHVNCPDRW-WDEREUQCSA-N 2 1 227.352 0.047 20 0 BCADMP C[C@H]1CCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925624409 646369458 /nfs/dbraw/zinc/36/94/58/646369458.db2.gz XBGYIQLYFDZRRI-RYUDHWBXSA-N 2 1 227.352 0.049 20 0 BCADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925624410 646369555 /nfs/dbraw/zinc/36/95/55/646369555.db2.gz XBGYIQLYFDZRRI-VXGBXAGGSA-N 2 1 227.352 0.049 20 0 BCADMP COC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925627114 646370344 /nfs/dbraw/zinc/37/03/44/646370344.db2.gz UBWRKIAJLPLHOP-WDEREUQCSA-N 2 1 228.336 0.258 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000925624000 646370673 /nfs/dbraw/zinc/37/06/73/646370673.db2.gz XIIIERAOQUGDPE-VHSXEESVSA-N 2 1 235.335 0.323 20 0 BCADMP Cn1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925640653 646381650 /nfs/dbraw/zinc/38/16/50/646381650.db2.gz UCJBILLVAMAXRE-LLVKDONJSA-N 2 1 222.336 0.693 20 0 BCADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925646881 646387335 /nfs/dbraw/zinc/38/73/35/646387335.db2.gz XXJWHFRGOJHASY-ZRHTZCORSA-N 2 1 224.348 0.996 20 0 BCADMP COCC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925654022 646391115 /nfs/dbraw/zinc/39/11/15/646391115.db2.gz KAXASDMZEDGXSG-QWRGUYRKSA-N 2 1 228.336 0.258 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000925656372 646393821 /nfs/dbraw/zinc/39/38/21/646393821.db2.gz NJNARIUYYAQZPA-CYDGBPFRSA-N 2 1 242.363 0.362 20 0 BCADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668421 646398439 /nfs/dbraw/zinc/39/84/39/646398439.db2.gz HDFUNAUXMWYPNP-OLZOCXBDSA-N 2 1 243.395 0.685 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000925676392 646405065 /nfs/dbraw/zinc/40/50/65/646405065.db2.gz IROVSSDCLGQEDR-CMPLNLGQSA-N 2 1 237.351 0.478 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925677653 646406780 /nfs/dbraw/zinc/40/67/80/646406780.db2.gz XXJWHFRGOJHASY-IATRAZAYSA-N 2 1 224.348 0.996 20 0 BCADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925677652 646407266 /nfs/dbraw/zinc/40/72/66/646407266.db2.gz XXJWHFRGOJHASY-GYSPKTFISA-N 2 1 224.348 0.996 20 0 BCADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925680671 646408751 /nfs/dbraw/zinc/40/87/51/646408751.db2.gz KJZOCNHEDYMRTJ-QNWHQSFQSA-N 2 1 242.363 0.768 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686351 646412961 /nfs/dbraw/zinc/41/29/61/646412961.db2.gz UNXGRQFNXGKKBG-MMWGEVLESA-N 2 1 225.336 0.371 20 0 BCADMP Cc1nccn1CCC[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000930060591 646415530 /nfs/dbraw/zinc/41/55/30/646415530.db2.gz MRSANTBWVXXTGZ-PWSUYJOCSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000930060591 646415532 /nfs/dbraw/zinc/41/55/32/646415532.db2.gz MRSANTBWVXXTGZ-PWSUYJOCSA-N 2 1 241.335 0.255 20 0 BCADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)[C@@H](C)O ZINC000930060591 646415533 /nfs/dbraw/zinc/41/55/33/646415533.db2.gz MRSANTBWVXXTGZ-PWSUYJOCSA-N 2 1 241.335 0.255 20 0 BCADMP [NH3+]CC(F)(F)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925699436 646423412 /nfs/dbraw/zinc/42/34/12/646423412.db2.gz OOVXONFJTAODRQ-VIFPVBQESA-N 2 1 233.306 0.845 20 0 BCADMP [NH3+]CC(F)(F)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925700598 646424825 /nfs/dbraw/zinc/42/48/25/646424825.db2.gz VRHMUGMKKVYXFT-HTQZYQBOSA-N 2 1 219.279 0.440 20 0 BCADMP N[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C12CCC2 ZINC000925702613 646427688 /nfs/dbraw/zinc/42/76/88/646427688.db2.gz PCQUJNPZHYDOIJ-GHMZBOCLSA-N 2 1 223.364 0.975 20 0 BCADMP N[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C12CCC2 ZINC000925702614 646427887 /nfs/dbraw/zinc/42/78/87/646427887.db2.gz PCQUJNPZHYDOIJ-MNOVXSKESA-N 2 1 223.364 0.975 20 0 BCADMP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000925704010 646429781 /nfs/dbraw/zinc/42/97/81/646429781.db2.gz FSHGCBAJXSEIIP-UTUOFQBUSA-N 3 1 241.379 0.470 20 0 BCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094515 646431364 /nfs/dbraw/zinc/43/13/64/646431364.db2.gz KIZGVWCBLMOUFH-VXGBXAGGSA-N 2 1 241.379 0.926 20 0 BCADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnnn1C ZINC000925710117 646434136 /nfs/dbraw/zinc/43/41/36/646434136.db2.gz WITNMNHLEPHJLU-JTQLQIEISA-N 2 1 235.335 0.728 20 0 BCADMP CCn1nncc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925721597 646446094 /nfs/dbraw/zinc/44/60/94/646446094.db2.gz OROYHMPXXPVXSU-MNOVXSKESA-N 2 1 235.335 0.658 20 0 BCADMP [NH3+][C@H]1C[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726965 646451646 /nfs/dbraw/zinc/45/16/46/646451646.db2.gz MERRBGXJKKGQAB-DCAQKATOSA-N 2 1 209.337 0.598 20 0 BCADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC000925725584 646451671 /nfs/dbraw/zinc/45/16/71/646451671.db2.gz AUGGSVRQKIQHNQ-NAKRPEOUSA-N 2 1 209.337 0.583 20 0 BCADMP NC(=O)C1CC([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925727497 646451776 /nfs/dbraw/zinc/45/17/76/646451776.db2.gz GIJFQRDGHMGUKI-ILDUYXDCSA-N 2 1 237.347 0.515 20 0 BCADMP [NH3+]C1CC(CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925729806 646454246 /nfs/dbraw/zinc/45/42/46/646454246.db2.gz MERRBGXJKKGQAB-ILDUYXDCSA-N 2 1 209.337 0.598 20 0 BCADMP C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767080 646468028 /nfs/dbraw/zinc/46/80/28/646468028.db2.gz MIDIEEFMMYDYOQ-LOWDOPEQSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767086 646468906 /nfs/dbraw/zinc/46/89/06/646468906.db2.gz MIDIEEFMMYDYOQ-ZDEQEGDKSA-N 2 1 242.363 0.647 20 0 BCADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925770776 646471464 /nfs/dbraw/zinc/47/14/64/646471464.db2.gz JAFYJVDBEZUCMK-JOYOIKCWSA-N 2 1 220.320 0.704 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170625 646472131 /nfs/dbraw/zinc/47/21/31/646472131.db2.gz CBHKLPHIBFBKNF-NWDGAFQWSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170625 646472129 /nfs/dbraw/zinc/47/21/29/646472129.db2.gz CBHKLPHIBFBKNF-NWDGAFQWSA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000925781848 646479642 /nfs/dbraw/zinc/47/96/42/646479642.db2.gz GTVSMFXSQJUOEP-LYIQGSDWSA-N 2 1 223.364 0.667 20 0 BCADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925787861 646482845 /nfs/dbraw/zinc/48/28/45/646482845.db2.gz VXKBNWLCCUVJIU-GMTAPVOTSA-N 2 1 200.326 0.855 20 0 BCADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)(C)n1cncn1 ZINC000925787128 646483401 /nfs/dbraw/zinc/48/34/01/646483401.db2.gz XGMKFRGHEOBRNN-OUAUKWLOSA-N 2 1 237.351 0.599 20 0 BCADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnnn1C ZINC000925814540 646491722 /nfs/dbraw/zinc/49/17/22/646491722.db2.gz NCAUMUCOEHGFGJ-NXEZZACHSA-N 2 1 246.318 0.677 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925829842 646499011 /nfs/dbraw/zinc/49/90/11/646499011.db2.gz AFWKXTFBTZVCHW-NOOOWODRSA-N 2 1 240.347 0.520 20 0 BCADMP O=C1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1 ZINC000925840956 646505669 /nfs/dbraw/zinc/50/56/69/646505669.db2.gz XVVCTOUQFQSHEO-WDEREUQCSA-N 2 1 237.347 0.387 20 0 BCADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNOC1 ZINC000925865433 646518730 /nfs/dbraw/zinc/51/87/30/646518730.db2.gz QVZOJLFUAZUDGM-WOPDTQHZSA-N 2 1 227.352 0.790 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926174496 646589431 /nfs/dbraw/zinc/58/94/31/646589431.db2.gz SCIVQGSGWSIJFF-MROQNXINSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926174496 646589435 /nfs/dbraw/zinc/58/94/35/646589435.db2.gz SCIVQGSGWSIJFF-MROQNXINSA-N 2 1 242.363 0.314 20 0 BCADMP C[C@@H](O)CCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926316920 646615779 /nfs/dbraw/zinc/61/57/79/646615779.db2.gz YVULTQDYWKTSMF-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H](O)CCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926316920 646615781 /nfs/dbraw/zinc/61/57/81/646615781.db2.gz YVULTQDYWKTSMF-GRYCIOLGSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@H](C[NH2+][C@H]1C(=O)NCC1(C)C)C[NH+](C)C ZINC000926476370 646654071 /nfs/dbraw/zinc/65/40/71/646654071.db2.gz ZZQWQVVTRCLJTL-ZJUUUORDSA-N 2 1 227.352 0.298 20 0 BCADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000723885831 711543558 /nfs/dbraw/zinc/54/35/58/711543558.db2.gz CSJHWKPIWLINQA-MXWKQRLJSA-N 2 1 225.336 0.134 20 0 BCADMP Cc1cn(C)nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000724001346 711554195 /nfs/dbraw/zinc/55/41/95/711554195.db2.gz LWDIILIHWFCFFO-NSHDSACASA-N 2 1 222.336 0.899 20 0 BCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724923858 711629155 /nfs/dbraw/zinc/62/91/55/711629155.db2.gz FOUHIIOQPNCCAI-XQQFMLRXSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)O ZINC000396582851 711702279 /nfs/dbraw/zinc/70/22/79/711702279.db2.gz PXXWJIZICXOCQT-NXEZZACHSA-N 2 1 200.326 0.878 20 0 BCADMP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722149851 711712132 /nfs/dbraw/zinc/71/21/32/711712132.db2.gz OLMRIPAKNPOBNV-QWRGUYRKSA-N 2 1 225.336 0.149 20 0 BCADMP COCCOCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908459 711731228 /nfs/dbraw/zinc/73/12/28/711731228.db2.gz IKFUVCVQTQHMRL-VXGBXAGGSA-N 2 1 230.352 0.566 20 0 BCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724914139 711743744 /nfs/dbraw/zinc/74/37/44/711743744.db2.gz JGMZBHJEWQXMMM-RYUDHWBXSA-N 2 1 228.336 0.463 20 0 BCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054207 711805689 /nfs/dbraw/zinc/80/56/89/711805689.db2.gz MBXBAMCLOBOTPZ-UWVGGRQHSA-N 2 1 225.336 0.324 20 0 BCADMP CC(=O)N[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000160347861 711807202 /nfs/dbraw/zinc/80/72/02/711807202.db2.gz HMJTYBZJBGMYEB-GFCCVEGCSA-N 2 1 225.336 0.339 20 0 BCADMP CC(=O)N[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000160347861 711807203 /nfs/dbraw/zinc/80/72/03/711807203.db2.gz HMJTYBZJBGMYEB-GFCCVEGCSA-N 2 1 225.336 0.339 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030398 711829947 /nfs/dbraw/zinc/82/99/47/711829947.db2.gz WOUNUJHSEBOHDR-QJPTWQEYSA-N 2 1 230.352 0.443 20 0 BCADMP COC(=O)N(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000701694181 712027895 /nfs/dbraw/zinc/02/78/95/712027895.db2.gz VNILOWRRUZUUII-ZJUUUORDSA-N 2 1 229.324 0.415 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000702271747 712044425 /nfs/dbraw/zinc/04/44/25/712044425.db2.gz BQXPQDBNANOUDB-HBNTYKKESA-N 2 1 230.377 0.585 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702627333 712057488 /nfs/dbraw/zinc/05/74/88/712057488.db2.gz YJUOIYHLAFUWLY-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702627333 712057489 /nfs/dbraw/zinc/05/74/89/712057489.db2.gz YJUOIYHLAFUWLY-UTUOFQBUSA-N 2 1 228.336 0.210 20 0 BCADMP COC(=O)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703618893 712081421 /nfs/dbraw/zinc/08/14/21/712081421.db2.gz IJRDZASIYFYARO-CMPLNLGQSA-N 2 1 226.320 0.481 20 0 BCADMP COC(=O)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703618893 712081424 /nfs/dbraw/zinc/08/14/24/712081424.db2.gz IJRDZASIYFYARO-CMPLNLGQSA-N 2 1 226.320 0.481 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000703753618 712085153 /nfs/dbraw/zinc/08/51/53/712085153.db2.gz SHHAXPORZXNUDU-XQQFMLRXSA-N 2 1 242.363 0.146 20 0 BCADMP COC1CC(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000703875466 712091861 /nfs/dbraw/zinc/09/18/61/712091861.db2.gz PDIOWLQCLUSYNN-YYJSSNLHSA-N 2 1 228.336 0.459 20 0 BCADMP COC1CC(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000703875466 712091865 /nfs/dbraw/zinc/09/18/65/712091865.db2.gz PDIOWLQCLUSYNN-YYJSSNLHSA-N 2 1 228.336 0.459 20 0 BCADMP COC(=O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705682240 712134132 /nfs/dbraw/zinc/13/41/32/712134132.db2.gz VPBLHZWTXZIHRL-BETUJISGSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705682240 712134133 /nfs/dbraw/zinc/13/41/33/712134133.db2.gz VPBLHZWTXZIHRL-BETUJISGSA-N 2 1 240.347 0.823 20 0 BCADMP COC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705682240 712134134 /nfs/dbraw/zinc/13/41/34/712134134.db2.gz VPBLHZWTXZIHRL-BETUJISGSA-N 2 1 240.347 0.823 20 0 BCADMP C[C@H](O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461484 712222315 /nfs/dbraw/zinc/22/23/15/712222315.db2.gz IYUMLAFRSRPJGU-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@H](O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000709461484 712222319 /nfs/dbraw/zinc/22/23/19/712222319.db2.gz IYUMLAFRSRPJGU-WCQYABFASA-N 2 1 242.363 0.288 20 0 BCADMP CC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996064 712238850 /nfs/dbraw/zinc/23/88/50/712238850.db2.gz LNKSSCJEVLGRSD-RYUDHWBXSA-N 2 1 212.337 0.833 20 0 BCADMP CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710867538 712260067 /nfs/dbraw/zinc/26/00/67/712260067.db2.gz FNZBKUXHAHJUPC-HAQNSBGRSA-N 2 1 239.363 0.668 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308649 712294044 /nfs/dbraw/zinc/29/40/44/712294044.db2.gz AWDXRIUKKSEMHF-QWRGUYRKSA-N 2 1 239.363 0.442 20 0 BCADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711472577 712303330 /nfs/dbraw/zinc/30/33/30/712303330.db2.gz XUGZLAIKHFYQKL-GHMZBOCLSA-N 2 1 218.316 0.590 20 0 BCADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711472577 712303331 /nfs/dbraw/zinc/30/33/31/712303331.db2.gz XUGZLAIKHFYQKL-GHMZBOCLSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711472577 712303332 /nfs/dbraw/zinc/30/33/32/712303332.db2.gz XUGZLAIKHFYQKL-GHMZBOCLSA-N 2 1 218.316 0.590 20 0 BCADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711472577 712303334 /nfs/dbraw/zinc/30/33/34/712303334.db2.gz XUGZLAIKHFYQKL-GHMZBOCLSA-N 2 1 218.316 0.590 20 0 BCADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000711658474 712314740 /nfs/dbraw/zinc/31/47/40/712314740.db2.gz YXPQYWRPVOHXSS-AAEUAGOBSA-N 2 1 224.348 0.997 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000711658474 712314741 /nfs/dbraw/zinc/31/47/41/712314741.db2.gz YXPQYWRPVOHXSS-AAEUAGOBSA-N 2 1 224.348 0.997 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOC1CC1)C2 ZINC000711681398 712316629 /nfs/dbraw/zinc/31/66/29/712316629.db2.gz NYHQLWIMNMZQRX-DCAQKATOSA-N 2 1 210.321 0.977 20 0 BCADMP C[N@H+]1CCN(C(=O)C2([NH3+])CC2)CCC1(C)C ZINC000712667975 712439898 /nfs/dbraw/zinc/43/98/98/712439898.db2.gz GJYIZUCQXSILOJ-UHFFFAOYSA-N 2 1 225.336 0.420 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037484893 712650675 /nfs/dbraw/zinc/65/06/75/712650675.db2.gz HPIAPYGMKSRFAB-NSHDSACASA-N 2 1 227.352 0.573 20 0 BCADMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010062 712735967 /nfs/dbraw/zinc/73/59/67/712735967.db2.gz CNPKJGIHSUCRNO-GRYCIOLGSA-N 2 1 239.363 0.714 20 0 BCADMP CC(C)[N@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719252807 712801437 /nfs/dbraw/zinc/80/14/37/712801437.db2.gz LVGBEFSBBLFDTQ-YOGCLGLASA-N 2 1 239.363 0.713 20 0 BCADMP C[C@@H]1[C@@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000719477862 712808503 /nfs/dbraw/zinc/80/85/03/712808503.db2.gz YEHIJRDAXVDQPU-MNOVXSKESA-N 2 1 241.379 0.973 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720808363 712866776 /nfs/dbraw/zinc/86/67/76/712866776.db2.gz WCKOWHCNDWYGGR-AGIUHOORSA-N 2 1 242.363 0.851 20 0 BCADMP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000720893622 712875881 /nfs/dbraw/zinc/87/58/81/712875881.db2.gz OJWXEDZOSYKUIN-FVCCEPFGSA-N 2 1 224.348 0.974 20 0 BCADMP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720896711 712876310 /nfs/dbraw/zinc/87/63/10/712876310.db2.gz DHSIGCVARHPOKH-QJPTWQEYSA-N 2 1 239.363 0.665 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896458 712876429 /nfs/dbraw/zinc/87/64/29/712876429.db2.gz DGHKLVVFSITYJB-VHSXEESVSA-N 2 1 225.336 0.419 20 0 BCADMP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720904915 712877528 /nfs/dbraw/zinc/87/75/28/712877528.db2.gz XSTFVFIQPBRWPL-SDDRHHMPSA-N 2 1 239.363 0.537 20 0 BCADMP COC[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721963045 710694295 /nfs/dbraw/zinc/69/42/95/710694295.db2.gz RGWOZDNKRCTXTQ-AVGNSLFASA-N 2 1 244.379 0.953 20 0 BCADMP COC[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721963045 710694300 /nfs/dbraw/zinc/69/43/00/710694300.db2.gz RGWOZDNKRCTXTQ-AVGNSLFASA-N 2 1 244.379 0.953 20 0 BCADMP C[C@@H](O)CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380455273 712900880 /nfs/dbraw/zinc/90/08/80/712900880.db2.gz HQFQRYRXSTUXGT-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[C@@H](O)CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380455273 712900881 /nfs/dbraw/zinc/90/08/81/712900881.db2.gz HQFQRYRXSTUXGT-NEPJUHHUSA-N 2 1 230.352 0.146 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000380456195 712900945 /nfs/dbraw/zinc/90/09/45/712900945.db2.gz JSPTWZTWXVAEHI-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000380456195 712900946 /nfs/dbraw/zinc/90/09/46/712900946.db2.gz JSPTWZTWXVAEHI-NEPJUHHUSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCSC1 ZINC000380456199 712901132 /nfs/dbraw/zinc/90/11/32/712901132.db2.gz JSPTWZTWXVAEHI-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCSC1 ZINC000380456199 712901133 /nfs/dbraw/zinc/90/11/33/712901133.db2.gz JSPTWZTWXVAEHI-RYUDHWBXSA-N 2 1 244.404 0.880 20 0 BCADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000381823829 710723863 /nfs/dbraw/zinc/72/38/63/710723863.db2.gz KXIRYSGIJDPNSZ-MNOVXSKESA-N 2 1 216.325 0.332 20 0 BCADMP C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CC[NH3+] ZINC000723909366 710734834 /nfs/dbraw/zinc/73/48/34/710734834.db2.gz NBGDLWDJCCEFQM-RKDXNWHRSA-N 2 1 226.349 0.955 20 0 BCADMP C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CC[NH3+] ZINC000723909366 710734835 /nfs/dbraw/zinc/73/48/35/710734835.db2.gz NBGDLWDJCCEFQM-RKDXNWHRSA-N 2 1 226.349 0.955 20 0 BCADMP C[N@H+](CCO[C@H]1CCOC1)[C@@H](CN)C1CC1 ZINC000724917215 710748597 /nfs/dbraw/zinc/74/85/97/710748597.db2.gz XGZIVSVPEQMUSL-RYUDHWBXSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)[C@@H](CN)C1CC1 ZINC000724917215 710748599 /nfs/dbraw/zinc/74/85/99/710748599.db2.gz XGZIVSVPEQMUSL-RYUDHWBXSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CCO[C@H]1CCOC1)[C@@H](C[NH3+])C1CC1 ZINC000724917215 710748603 /nfs/dbraw/zinc/74/86/03/710748603.db2.gz XGZIVSVPEQMUSL-RYUDHWBXSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@H]1CCOC1)[C@@H](C[NH3+])C1CC1 ZINC000724917215 710748604 /nfs/dbraw/zinc/74/86/04/710748604.db2.gz XGZIVSVPEQMUSL-RYUDHWBXSA-N 2 1 228.336 0.461 20 0 BCADMP CC[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724920737 710749201 /nfs/dbraw/zinc/74/92/01/710749201.db2.gz HTWJUYHROWBMPN-JHJVBQTASA-N 2 1 242.363 0.851 20 0 BCADMP C[N@H+](CCO[C@@H]1CCOC1)[C@H](CN)C1CC1 ZINC000724917216 710749605 /nfs/dbraw/zinc/74/96/05/710749605.db2.gz XGZIVSVPEQMUSL-VXGBXAGGSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)[C@H](CN)C1CC1 ZINC000724917216 710749609 /nfs/dbraw/zinc/74/96/09/710749609.db2.gz XGZIVSVPEQMUSL-VXGBXAGGSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@H+](CCO[C@@H]1CCOC1)[C@H](C[NH3+])C1CC1 ZINC000724917216 710749612 /nfs/dbraw/zinc/74/96/12/710749612.db2.gz XGZIVSVPEQMUSL-VXGBXAGGSA-N 2 1 228.336 0.461 20 0 BCADMP C[N@@H+](CCO[C@@H]1CCOC1)[C@H](C[NH3+])C1CC1 ZINC000724917216 710749618 /nfs/dbraw/zinc/74/96/18/710749618.db2.gz XGZIVSVPEQMUSL-VXGBXAGGSA-N 2 1 228.336 0.461 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000380525867 712901417 /nfs/dbraw/zinc/90/14/17/712901417.db2.gz WCFDAODIURFZIU-RHYQMDGZSA-N 2 1 212.337 0.951 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000380525867 712901418 /nfs/dbraw/zinc/90/14/18/712901418.db2.gz WCFDAODIURFZIU-RHYQMDGZSA-N 2 1 212.337 0.951 20 0 BCADMP C1=CO[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000393821318 710804515 /nfs/dbraw/zinc/80/45/15/710804515.db2.gz KYEDBGWKYYWGBX-GRYCIOLGSA-N 2 1 208.305 0.830 20 0 BCADMP CC(C)[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044296858 710823095 /nfs/dbraw/zinc/82/30/95/710823095.db2.gz OJJOBDOFWNCMSW-UHFFFAOYSA-N 2 1 239.363 0.633 20 0 BCADMP Cn1cnnc1C[N@H+](C)CCCCCC[NH3+] ZINC000380561955 712901620 /nfs/dbraw/zinc/90/16/20/712901620.db2.gz MIPLSEKKMFSTQF-UHFFFAOYSA-N 2 1 225.340 0.766 20 0 BCADMP Cn1cnnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000380561955 712901621 /nfs/dbraw/zinc/90/16/21/712901621.db2.gz MIPLSEKKMFSTQF-UHFFFAOYSA-N 2 1 225.340 0.766 20 0 BCADMP CCOCC[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000383775070 710915940 /nfs/dbraw/zinc/91/59/40/710915940.db2.gz IKZVMBWQEUTCRQ-CYBMUJFWSA-N 2 1 244.379 0.802 20 0 BCADMP CN(C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000383796272 710944491 /nfs/dbraw/zinc/94/44/91/710944491.db2.gz SAIDBGBMGASEHM-WDEREUQCSA-N 2 1 237.347 0.149 20 0 BCADMP CN(C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000383796272 710944494 /nfs/dbraw/zinc/94/44/94/710944494.db2.gz SAIDBGBMGASEHM-WDEREUQCSA-N 2 1 237.347 0.149 20 0 BCADMP COC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000382549469 710973069 /nfs/dbraw/zinc/97/30/69/710973069.db2.gz FJXUYXBUDJPMPE-PSEXLTFBSA-N 2 1 242.363 0.599 20 0 BCADMP OC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382629951 710973395 /nfs/dbraw/zinc/97/33/95/710973395.db2.gz QHKGPVBDRKQDQX-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP OC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382629951 710973398 /nfs/dbraw/zinc/97/33/98/710973398.db2.gz QHKGPVBDRKQDQX-QWHCGFSZSA-N 2 1 242.363 0.147 20 0 BCADMP CC(C)C[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383587908 710983534 /nfs/dbraw/zinc/98/35/34/710983534.db2.gz NGYSLWNQTLOVRS-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP CC(C)C[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383587908 710983536 /nfs/dbraw/zinc/98/35/36/710983536.db2.gz NGYSLWNQTLOVRS-OLZOCXBDSA-N 2 1 244.379 0.438 20 0 BCADMP COCCOCCOCC[N@@H+](C)C1CC([NH3+])C1 ZINC000385234494 711008030 /nfs/dbraw/zinc/00/80/30/711008030.db2.gz UMQSQGADZQPDKR-UHFFFAOYSA-N 2 1 246.351 0.088 20 0 BCADMP Cn1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000385495219 711014932 /nfs/dbraw/zinc/01/49/32/711014932.db2.gz JBBCGMWCKQRTMC-GOCOPAARSA-N 2 1 246.358 0.549 20 0 BCADMP COC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000385851877 711018675 /nfs/dbraw/zinc/01/86/75/711018675.db2.gz PZCPJZATYPJLEP-UHFFFAOYSA-N 2 1 202.298 0.610 20 0 BCADMP COC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000385851877 711018679 /nfs/dbraw/zinc/01/86/79/711018679.db2.gz PZCPJZATYPJLEP-UHFFFAOYSA-N 2 1 202.298 0.610 20 0 BCADMP CN1CCC[NH+]=C1NCC[N@H+](C)C1CC1 ZINC000386155470 711023258 /nfs/dbraw/zinc/02/32/58/711023258.db2.gz SYGXYOLSEVWMMN-UHFFFAOYSA-N 2 1 210.325 0.362 20 0 BCADMP CN1CCC[NH+]=C1NCC[N@@H+](C)C1CC1 ZINC000386155470 711023262 /nfs/dbraw/zinc/02/32/62/711023262.db2.gz SYGXYOLSEVWMMN-UHFFFAOYSA-N 2 1 210.325 0.362 20 0 BCADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183631 711025609 /nfs/dbraw/zinc/02/56/09/711025609.db2.gz YMMVWWHRWSOOEM-SDDRHHMPSA-N 2 1 211.353 0.811 20 0 BCADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000389985829 711102441 /nfs/dbraw/zinc/10/24/41/711102441.db2.gz LZVHFUCVNDBHJO-NWDGAFQWSA-N 2 1 212.337 0.831 20 0 BCADMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)C2)N1 ZINC000389312927 711075520 /nfs/dbraw/zinc/07/55/20/711075520.db2.gz CMMAYJBHLROIND-ZJUUUORDSA-N 2 1 210.325 0.266 20 0 BCADMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)C2)N1 ZINC000389312919 711076253 /nfs/dbraw/zinc/07/62/53/711076253.db2.gz CMMAYJBHLROIND-NXEZZACHSA-N 2 1 210.325 0.266 20 0 BCADMP C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1C[NH3+] ZINC000390583753 711127089 /nfs/dbraw/zinc/12/70/89/711127089.db2.gz QBGVHQAQPSIVHG-GHMZBOCLSA-N 2 1 223.324 0.195 20 0 BCADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000390612198 711128507 /nfs/dbraw/zinc/12/85/07/711128507.db2.gz FKYIJWXKILMTGJ-ADEWGFFLSA-N 3 1 211.353 0.831 20 0 BCADMP CN1CCC[NH+]=C1NCC1=CC[N@@H+](C)CC1 ZINC000392816629 711152567 /nfs/dbraw/zinc/15/25/67/711152567.db2.gz APENGQXPAOJKBN-UHFFFAOYSA-N 2 1 222.336 0.529 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000392888330 711152898 /nfs/dbraw/zinc/15/28/98/711152898.db2.gz RKLZJNYPHDTNBZ-UHFFFAOYSA-N 2 1 210.325 0.771 20 0 BCADMP CC(C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000392888330 711152903 /nfs/dbraw/zinc/15/29/03/711152903.db2.gz RKLZJNYPHDTNBZ-UHFFFAOYSA-N 2 1 210.325 0.771 20 0 BCADMP C[C@H](Cn1cccn1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000394148266 711185950 /nfs/dbraw/zinc/18/59/50/711185950.db2.gz LYAIZMVKTVVTIM-QQOHENMQSA-N 2 1 246.358 0.858 20 0 BCADMP CC[N@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000394158171 711187625 /nfs/dbraw/zinc/18/76/25/711187625.db2.gz UBYUUEVJJPOSPE-MNQBEEPXSA-N 2 1 249.402 0.914 20 0 BCADMP CN1CCC[NH+]=C1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000395132320 711203820 /nfs/dbraw/zinc/20/38/20/711203820.db2.gz QVEDFKKPVKIGTO-NSHDSACASA-N 2 1 236.363 0.752 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396626854 711361689 /nfs/dbraw/zinc/36/16/89/711361689.db2.gz WKRSIRJFYUDHBT-NXEZZACHSA-N 2 1 227.352 0.489 20 0 BCADMP CC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396543558 711354235 /nfs/dbraw/zinc/35/42/35/711354235.db2.gz BJVKNPYJUDKIHP-DCAQKATOSA-N 2 1 200.326 0.878 20 0 BCADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccnn1C ZINC000396727025 711368810 /nfs/dbraw/zinc/36/88/10/711368810.db2.gz WTLJJZRKZJOAHI-CMPLNLGQSA-N 2 1 222.336 0.693 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399486302 711430852 /nfs/dbraw/zinc/43/08/52/711430852.db2.gz RRRGJNIWXMPFAF-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399486302 711430854 /nfs/dbraw/zinc/43/08/54/711430854.db2.gz RRRGJNIWXMPFAF-JHJVBQTASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000399486303 711430062 /nfs/dbraw/zinc/43/00/62/711430062.db2.gz RRRGJNIWXMPFAF-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000399486303 711430065 /nfs/dbraw/zinc/43/00/65/711430065.db2.gz RRRGJNIWXMPFAF-UPJWGTAASA-N 2 1 242.363 0.288 20 0 BCADMP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381022285 710596563 /nfs/dbraw/zinc/59/65/63/710596563.db2.gz WRHZSLXDXRCTFC-ZJUUUORDSA-N 2 1 225.336 0.324 20 0 BCADMP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381011988 710597190 /nfs/dbraw/zinc/59/71/90/710597190.db2.gz SRCRCWCNGLICBM-MNOVXSKESA-N 2 1 227.352 0.524 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC000381390741 710630923 /nfs/dbraw/zinc/63/09/23/710630923.db2.gz NPZWQURFRFJSDO-YOGCLGLASA-N 2 1 235.335 0.622 20 0 BCADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC000381390741 710630927 /nfs/dbraw/zinc/63/09/27/710630927.db2.gz NPZWQURFRFJSDO-YOGCLGLASA-N 2 1 235.335 0.622 20 0 BCADMP COCC(COC)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000385010346 711002836 /nfs/dbraw/zinc/00/28/36/711002836.db2.gz XRUUXXHKVMFZTE-GHMZBOCLSA-N 2 1 230.352 0.565 20 0 BCADMP COC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396721562 711366200 /nfs/dbraw/zinc/36/62/00/711366200.db2.gz UFJWACCRMWEOMW-GARJFASQSA-N 2 1 216.325 0.114 20 0 BCADMP COCCOCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396675449 711363024 /nfs/dbraw/zinc/36/30/24/711363024.db2.gz SQCGAVCLFMYBJR-VXGBXAGGSA-N 2 1 230.352 0.770 20 0 BCADMP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000397304906 711381299 /nfs/dbraw/zinc/38/12/99/711381299.db2.gz HKACEPXHFIFNHG-SNIKSBKOSA-N 2 1 236.359 0.997 20 0 BCADMP c1cn(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cn1 ZINC000383203545 711466392 /nfs/dbraw/zinc/46/63/92/711466392.db2.gz VUBGMQYZGHRDDZ-NWBUJAPZSA-N 2 1 232.331 0.469 20 0 BCADMP C[N@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673666 711483112 /nfs/dbraw/zinc/48/31/12/711483112.db2.gz UVUFYUSEOFSNRX-LLVKDONJSA-N 2 1 227.352 0.716 20 0 BCADMP C[N@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673665 711483484 /nfs/dbraw/zinc/48/34/84/711483484.db2.gz UVUFYUSEOFSNRX-NSHDSACASA-N 2 1 227.352 0.716 20 0 BCADMP C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032406 711495998 /nfs/dbraw/zinc/49/59/98/711495998.db2.gz LDFZTECUQOVUFR-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032406 711496000 /nfs/dbraw/zinc/49/60/00/711496000.db2.gz LDFZTECUQOVUFR-STQMWFEESA-N 2 1 242.363 0.290 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000723671249 711533442 /nfs/dbraw/zinc/53/34/42/711533442.db2.gz YVEBWIIWPUWJEX-LLVKDONJSA-N 2 1 245.330 0.900 20 0 BCADMP NC(=O)c1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723669409 711533528 /nfs/dbraw/zinc/53/35/28/711533528.db2.gz JCIDHFOQSICVEX-NSHDSACASA-N 2 1 247.342 0.956 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000723712509 711536038 /nfs/dbraw/zinc/53/60/38/711536038.db2.gz IBKFXSJDEMCVFD-SECBINFHSA-N 2 1 236.323 0.179 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000723712509 711536040 /nfs/dbraw/zinc/53/60/40/711536040.db2.gz IBKFXSJDEMCVFD-SECBINFHSA-N 2 1 236.323 0.179 20 0 BCADMP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887573 711543124 /nfs/dbraw/zinc/54/31/24/711543124.db2.gz VIGCELKHKXCNNV-OUAUKWLOSA-N 2 1 227.352 0.380 20 0 BCADMP COC[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)OC ZINC000723891383 711544000 /nfs/dbraw/zinc/54/40/00/711544000.db2.gz NVZJSCUSUBCAQH-UTUOFQBUSA-N 2 1 230.352 0.565 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723909436 711544888 /nfs/dbraw/zinc/54/48/88/711544888.db2.gz OLYMYBCWYNNIIU-HLTSFMKQSA-N 2 1 240.269 0.826 20 0 BCADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCOC1 ZINC000723994562 711552334 /nfs/dbraw/zinc/55/23/34/711552334.db2.gz RTRQNAQWAXEZQS-AVGNSLFASA-N 2 1 244.379 0.704 20 0 BCADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000724158545 711565348 /nfs/dbraw/zinc/56/53/48/711565348.db2.gz YCOQJZMRIKSZOY-GRYCIOLGSA-N 2 1 240.347 0.617 20 0 BCADMP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000724563303 711592501 /nfs/dbraw/zinc/59/25/01/711592501.db2.gz MEFGOYIAKIYWIL-VOAKCMCISA-N 2 1 240.347 0.459 20 0 BCADMP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000724563303 711592503 /nfs/dbraw/zinc/59/25/03/711592503.db2.gz MEFGOYIAKIYWIL-VOAKCMCISA-N 2 1 240.347 0.459 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@H]1[NH3+] ZINC000724564920 711592835 /nfs/dbraw/zinc/59/28/35/711592835.db2.gz WLBXHMPYPIPPTJ-UJPOAAIJSA-N 2 1 240.347 0.459 20 0 BCADMP C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000724584929 711595846 /nfs/dbraw/zinc/59/58/46/711595846.db2.gz ITLCFVNUYPZIFX-QWQWKMKNSA-N 2 1 240.347 0.520 20 0 BCADMP Cc1[nH]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)[nH+]1 ZINC000724786437 711615279 /nfs/dbraw/zinc/61/52/79/711615279.db2.gz CCCAVDRCPAWLIF-PHIMTYICSA-N 2 1 220.320 0.678 20 0 BCADMP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000724919790 711628198 /nfs/dbraw/zinc/62/81/98/711628198.db2.gz AOPNVQTUQMVAIB-QWHCGFSZSA-N 2 1 240.347 0.477 20 0 BCADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000724919790 711628199 /nfs/dbraw/zinc/62/81/99/711628199.db2.gz AOPNVQTUQMVAIB-QWHCGFSZSA-N 2 1 240.347 0.477 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCOC2)CC[N@H+]1C ZINC000724934683 711631090 /nfs/dbraw/zinc/63/10/90/711631090.db2.gz DPFRHHFHQNJYLL-JHJVBQTASA-N 2 1 242.363 0.864 20 0 BCADMP CC[NH+](CC)CCNC(=O)c1ncoc1C[NH3+] ZINC000721379334 711653606 /nfs/dbraw/zinc/65/36/06/711653606.db2.gz PIYGPSOQESILTF-UHFFFAOYSA-N 2 1 240.307 0.205 20 0 BCADMP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720904005 711686946 /nfs/dbraw/zinc/68/69/46/711686946.db2.gz WBSXLBUSQIVWNG-GHMZBOCLSA-N 2 1 225.336 0.291 20 0 BCADMP COCC(COC)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000395417516 711694626 /nfs/dbraw/zinc/69/46/26/711694626.db2.gz XWGUOEZEPXJHRH-UHFFFAOYSA-N 2 1 218.341 0.565 20 0 BCADMP CC[C@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000309473294 711698511 /nfs/dbraw/zinc/69/85/11/711698511.db2.gz REPAYSLQNAMSGE-LBPRGKRZSA-N 2 1 230.352 0.458 20 0 BCADMP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925604787 711705005 /nfs/dbraw/zinc/70/50/05/711705005.db2.gz BFEMCQYKDZKWPX-JTQLQIEISA-N 2 1 239.363 0.633 20 0 BCADMP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722149852 711712206 /nfs/dbraw/zinc/71/22/06/711712206.db2.gz OLMRIPAKNPOBNV-WDEREUQCSA-N 2 1 225.336 0.149 20 0 BCADMP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000722150252 711712223 /nfs/dbraw/zinc/71/22/23/711712223.db2.gz UDHZZRJOOYEEDY-VXGBXAGGSA-N 2 1 239.363 0.539 20 0 BCADMP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000722184858 711717793 /nfs/dbraw/zinc/71/77/93/711717793.db2.gz XHRDUMOTYLRLPR-RYUDHWBXSA-N 2 1 239.363 0.539 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335071568 711720142 /nfs/dbraw/zinc/72/01/42/711720142.db2.gz VDHOSVCYHFYJOG-ZDUSSCGKSA-N 2 1 239.363 0.681 20 0 BCADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709695615 711756291 /nfs/dbraw/zinc/75/62/91/711756291.db2.gz GNRCNHFSSXZJLZ-MNOVXSKESA-N 2 1 244.379 0.832 20 0 BCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335071567 711769848 /nfs/dbraw/zinc/76/98/48/711769848.db2.gz VDHOSVCYHFYJOG-CYBMUJFWSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928565794 711779218 /nfs/dbraw/zinc/77/92/18/711779218.db2.gz MPBRLNSVSGTXPM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928565794 711779219 /nfs/dbraw/zinc/77/92/19/711779219.db2.gz MPBRLNSVSGTXPM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928565794 711779220 /nfs/dbraw/zinc/77/92/20/711779220.db2.gz MPBRLNSVSGTXPM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928565794 711779221 /nfs/dbraw/zinc/77/92/21/711779221.db2.gz MPBRLNSVSGTXPM-RYUDHWBXSA-N 2 1 239.363 0.681 20 0 BCADMP CC(C)CNC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160054688 711805723 /nfs/dbraw/zinc/80/57/23/711805723.db2.gz JFMKNSGSWVSQHH-LLVKDONJSA-N 2 1 227.352 0.429 20 0 BCADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000925474153 711879691 /nfs/dbraw/zinc/87/96/91/711879691.db2.gz AAVMOJJZLGFJFV-SNVBAGLBSA-N 2 1 241.335 0.559 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044297409 711967362 /nfs/dbraw/zinc/96/73/62/711967362.db2.gz GYLJWJSDTMAHTF-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044297409 711967364 /nfs/dbraw/zinc/96/73/64/711967364.db2.gz GYLJWJSDTMAHTF-LLVKDONJSA-N 2 1 239.363 0.491 20 0 BCADMP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700406901 711992414 /nfs/dbraw/zinc/99/24/14/711992414.db2.gz YVMYMKLGQDFFPE-YPMHNXCESA-N 2 1 239.363 0.573 20 0 BCADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](CCF)C2)C1 ZINC000700588750 711998806 /nfs/dbraw/zinc/99/88/06/711998806.db2.gz VSKSRRMKVUERFI-AXFHLTTASA-N 2 1 216.300 0.784 20 0 BCADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000700894908 712009985 /nfs/dbraw/zinc/00/99/85/712009985.db2.gz UIYXQKLIKMVUII-NEPJUHHUSA-N 2 1 242.363 0.506 20 0 BCADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660924 712011560 /nfs/dbraw/zinc/01/15/60/712011560.db2.gz JKYQINTUBTVIKB-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660924 712011561 /nfs/dbraw/zinc/01/15/61/712011561.db2.gz JKYQINTUBTVIKB-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660924 712011562 /nfs/dbraw/zinc/01/15/62/712011562.db2.gz JKYQINTUBTVIKB-RYUDHWBXSA-N 2 1 239.363 0.491 20 0 BCADMP C[NH+]1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000701385907 712021981 /nfs/dbraw/zinc/02/19/81/712021981.db2.gz UOIQKSPLUNVEAX-UHFFFAOYSA-N 2 1 242.363 0.866 20 0 BCADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000702097511 712039082 /nfs/dbraw/zinc/03/90/82/712039082.db2.gz NWROSCDBXGFYKK-RWMBFGLXSA-N 2 1 224.348 0.954 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047531 /nfs/dbraw/zinc/04/75/31/712047531.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 2 1 237.391 0.870 20 0 BCADMP C[N@H+]1C[C@@H]2CN(C[C@H]([NH3+])CC(F)F)C[C@]2(C)C1 ZINC000702470202 712054022 /nfs/dbraw/zinc/05/40/22/712054022.db2.gz NBFYVALJWLVAOB-FOGDFJRCSA-N 2 1 247.333 0.852 20 0 BCADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702628731 712056983 /nfs/dbraw/zinc/05/69/83/712056983.db2.gz OSVAOBDNALVGBY-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702628731 712056984 /nfs/dbraw/zinc/05/69/84/712056984.db2.gz OSVAOBDNALVGBY-GRYCIOLGSA-N 2 1 228.336 0.068 20 0 BCADMP FCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000702655350 712058715 /nfs/dbraw/zinc/05/87/15/712058715.db2.gz WZDRATYDLZLDSX-RNWYCLNJSA-N 2 1 228.311 0.559 20 0 BCADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC(OC)C2)C1 ZINC000703166000 712067346 /nfs/dbraw/zinc/06/73/46/712067346.db2.gz CICSJOIRALYWPP-VOMCLLRMSA-N 2 1 212.337 0.953 20 0 BCADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703519639 712077809 /nfs/dbraw/zinc/07/78/09/712077809.db2.gz NCZIHFBJKYGNRM-ZNSHCXBVSA-N 2 1 225.336 0.310 20 0 BCADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(C)(O)CC1 ZINC000703548572 712078727 /nfs/dbraw/zinc/07/87/27/712078727.db2.gz MIRMRLIGFDWVMG-MOENNCHZSA-N 2 1 230.352 0.192 20 0 BCADMP Cn1nccc1CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703557699 712078781 /nfs/dbraw/zinc/07/87/81/712078781.db2.gz HFLKXJGTWBIHHM-WCQYABFASA-N 2 1 234.347 0.504 20 0 BCADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[NH+](C)C1 ZINC000705147704 712123479 /nfs/dbraw/zinc/12/34/79/712123479.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[N@H+](C)C1 ZINC000705147704 712123480 /nfs/dbraw/zinc/12/34/80/712123480.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705147704 712123481 /nfs/dbraw/zinc/12/34/81/712123481.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 3 1 225.380 0.997 20 0 BCADMP CN1CCC[C@H](C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705147704 712123482 /nfs/dbraw/zinc/12/34/82/712123482.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 2 1 225.380 0.997 20 0 BCADMP CN1CCC[C@H](C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705147704 712123483 /nfs/dbraw/zinc/12/34/83/712123483.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 2 1 225.380 0.997 20 0 BCADMP COC(=O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705682240 712134131 /nfs/dbraw/zinc/13/41/31/712134131.db2.gz VPBLHZWTXZIHRL-BETUJISGSA-N 2 1 240.347 0.823 20 0 BCADMP COC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000705805151 712135735 /nfs/dbraw/zinc/13/57/35/712135735.db2.gz BTHYYTNSOBZSFT-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N)[nH+]1 ZINC000706984259 712160436 /nfs/dbraw/zinc/16/04/36/712160436.db2.gz SZKCMZDZJSEAHM-AOOOYVTPSA-N 2 1 233.319 0.365 20 0 BCADMP COC(=O)CCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000707526441 712171513 /nfs/dbraw/zinc/17/15/13/712171513.db2.gz XWNTXWPGEUSMCK-SECBINFHSA-N 2 1 202.298 0.609 20 0 BCADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000708095399 712181412 /nfs/dbraw/zinc/18/14/12/712181412.db2.gz DHVCJGQMNRYDOQ-KKOKHZNYSA-N 2 1 212.337 0.938 20 0 BCADMP CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000708111148 712181744 /nfs/dbraw/zinc/18/17/44/712181744.db2.gz GQABFKPXGLKIEZ-GMTAPVOTSA-N 2 1 225.336 0.134 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000708120397 712182352 /nfs/dbraw/zinc/18/23/52/712182352.db2.gz LUCCYQFTMYCSNU-IJLUTSLNSA-N 2 1 212.337 0.940 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000708120396 712182360 /nfs/dbraw/zinc/18/23/60/712182360.db2.gz LUCCYQFTMYCSNU-GRYCIOLGSA-N 2 1 212.337 0.940 20 0 BCADMP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708322103 712186385 /nfs/dbraw/zinc/18/63/85/712186385.db2.gz CHUXBZJUNWTBST-NXEZZACHSA-N 2 1 216.325 0.053 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708322103 712186387 /nfs/dbraw/zinc/18/63/87/712186387.db2.gz CHUXBZJUNWTBST-NXEZZACHSA-N 2 1 216.325 0.053 20 0 BCADMP CC1(C)CO[C@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000708338016 712188797 /nfs/dbraw/zinc/18/87/97/712188797.db2.gz QPODSSTYFZIEIV-RYUDHWBXSA-N 2 1 242.363 0.851 20 0 BCADMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000708847657 712200624 /nfs/dbraw/zinc/20/06/24/712200624.db2.gz DBWXPQICAKVENR-IWSPIJDZSA-N 2 1 240.269 0.826 20 0 BCADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000709038787 712206203 /nfs/dbraw/zinc/20/62/03/712206203.db2.gz CICSJOIRALYWPP-SDDRHHMPSA-N 2 1 212.337 0.953 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@H+](C)C1)[NH2+]2 ZINC000709430418 712221650 /nfs/dbraw/zinc/22/16/50/712221650.db2.gz AJSODDFUPLXUCR-MLGHIDQZSA-N 2 1 223.364 0.809 20 0 BCADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@@H+](C)C1)[NH2+]2 ZINC000709430418 712221654 /nfs/dbraw/zinc/22/16/54/712221654.db2.gz AJSODDFUPLXUCR-MLGHIDQZSA-N 2 1 223.364 0.809 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2 ZINC000709825392 712228923 /nfs/dbraw/zinc/22/89/23/712228923.db2.gz XNMIWBROHLETTH-SRVKXCTJSA-N 2 1 220.320 0.695 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOCC1)C2 ZINC000709845527 712229413 /nfs/dbraw/zinc/22/94/13/712229413.db2.gz UHPFFSAIDYNDBH-XQQFMLRXSA-N 2 1 239.363 0.130 20 0 BCADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOCC1)C2 ZINC000709845525 712229428 /nfs/dbraw/zinc/22/94/28/712229428.db2.gz UHPFFSAIDYNDBH-AVGNSLFASA-N 2 1 239.363 0.130 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCCC1=O)C2 ZINC000709886922 712231256 /nfs/dbraw/zinc/23/12/56/712231256.db2.gz GNXUSHNRCLQEIO-TUAOUCFPSA-N 2 1 237.347 0.420 20 0 BCADMP COC[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)OC ZINC000709890644 712231269 /nfs/dbraw/zinc/23/12/69/712231269.db2.gz RZPGRQKYIZQBBE-LBPRGKRZSA-N 2 1 242.363 0.723 20 0 BCADMP COC[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)OC ZINC000710687532 712254168 /nfs/dbraw/zinc/25/41/68/712254168.db2.gz HGJAMHHSUYYNDW-MCIGGMRASA-N 2 1 230.352 0.850 20 0 BCADMP CC[C@H](C(N)=O)[N@@H+](C)CCCCCC[NH3+] ZINC000710713327 712254592 /nfs/dbraw/zinc/25/45/92/712254592.db2.gz GVXKFURKCWKMMA-SNVBAGLBSA-N 2 1 215.341 0.701 20 0 BCADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1COCCO1 ZINC000710832093 712257946 /nfs/dbraw/zinc/25/79/46/712257946.db2.gz GYXGVESRQJGXSR-LBPRGKRZSA-N 2 1 230.352 0.853 20 0 BCADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710967087 712269540 /nfs/dbraw/zinc/26/95/40/712269540.db2.gz FMPLEPWAGZJQFT-HAQNSBGRSA-N 2 1 241.379 0.960 20 0 BCADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874984 712282396 /nfs/dbraw/zinc/28/23/96/712282396.db2.gz QFVUUGYHWIZUQM-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874984 712282398 /nfs/dbraw/zinc/28/23/98/712282398.db2.gz QFVUUGYHWIZUQM-NEPJUHHUSA-N 2 1 244.379 0.534 20 0 BCADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303126 /nfs/dbraw/zinc/30/31/26/712303126.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@H+](C[C@H](O)CN1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303128 /nfs/dbraw/zinc/30/31/28/712303128.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 1 230.327 0.733 20 0 BCADMP C[N@@H+](C[C@H](O)CN1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303130 /nfs/dbraw/zinc/30/31/30/712303130.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 1 230.327 0.733 20 0 BCADMP FC[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454070 712304362 /nfs/dbraw/zinc/30/43/62/712304362.db2.gz MKTZCSNJYGBCNV-MNOVXSKESA-N 2 1 228.311 0.799 20 0 BCADMP [NH3+]C[C@H]1C[N@H+](CCOC2CC2)CCCO1 ZINC000711777294 712328760 /nfs/dbraw/zinc/32/87/60/712328760.db2.gz QJLMIMWVCKSEOR-NSHDSACASA-N 2 1 214.309 0.215 20 0 BCADMP [NH3+]C[C@H]1C[N@@H+](CCOC2CC2)CCCO1 ZINC000711777294 712328761 /nfs/dbraw/zinc/32/87/61/712328761.db2.gz QJLMIMWVCKSEOR-NSHDSACASA-N 2 1 214.309 0.215 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480266 712334196 /nfs/dbraw/zinc/33/41/96/712334196.db2.gz HBJJNOKOLSQSMZ-VXGBXAGGSA-N 3 1 239.363 0.178 20 0 BCADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000923479432 712334245 /nfs/dbraw/zinc/33/42/45/712334245.db2.gz OVQOEJILRCUWCI-MNOVXSKESA-N 2 1 235.335 0.436 20 0 BCADMP COC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705672251 712372451 /nfs/dbraw/zinc/37/24/51/712372451.db2.gz TUOWLQSKFWRSDS-AGIUHOORSA-N 2 1 242.363 0.267 20 0 BCADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000379712538 712392663 /nfs/dbraw/zinc/39/26/63/712392663.db2.gz SKSVYVNTSUJTGU-LBPRGKRZSA-N 2 1 212.337 0.785 20 0 BCADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712500052 712432245 /nfs/dbraw/zinc/43/22/45/712432245.db2.gz AKBXXALXQGAYGD-LBPRGKRZSA-N 2 1 242.363 0.995 20 0 BCADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)CC[N@H+]1C ZINC000712611928 712437270 /nfs/dbraw/zinc/43/72/70/712437270.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 1 211.353 0.763 20 0 BCADMP CC1(C)CC[NH2+]CC[N@@H+]1CCn1cncn1 ZINC000712550551 712444162 /nfs/dbraw/zinc/44/41/62/712444162.db2.gz PUTGIJVXFDWKLG-UHFFFAOYSA-N 2 1 223.324 0.352 20 0 BCADMP CC1(C)CC[NH2+]CC[N@H+]1CCn1cncn1 ZINC000712550551 712444163 /nfs/dbraw/zinc/44/41/63/712444163.db2.gz PUTGIJVXFDWKLG-UHFFFAOYSA-N 2 1 223.324 0.352 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000713183926 712453914 /nfs/dbraw/zinc/45/39/14/712453914.db2.gz AVSHTCXFNBAIKX-ICUOPCATSA-N 2 1 249.358 0.467 20 0 BCADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227165 712455688 /nfs/dbraw/zinc/45/56/88/712455688.db2.gz UMNKBBYNROUINI-NOHGZBONSA-N 2 1 237.347 0.182 20 0 BCADMP CCOC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000713373503 712459686 /nfs/dbraw/zinc/45/96/86/712459686.db2.gz MJVWZHRDGNGYAN-GFCCVEGCSA-N 2 1 244.379 0.977 20 0 BCADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713687992 712469673 /nfs/dbraw/zinc/46/96/73/712469673.db2.gz XPVIIOLKMDIJPQ-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713687992 712469675 /nfs/dbraw/zinc/46/96/75/712469675.db2.gz XPVIIOLKMDIJPQ-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000713687992 712469677 /nfs/dbraw/zinc/46/96/77/712469677.db2.gz XPVIIOLKMDIJPQ-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000713687992 712469679 /nfs/dbraw/zinc/46/96/79/712469679.db2.gz XPVIIOLKMDIJPQ-FRRDWIJNSA-N 2 1 244.379 0.533 20 0 BCADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCOC1=O)C2 ZINC000714579737 712487820 /nfs/dbraw/zinc/48/78/20/712487820.db2.gz UIGXZQULFPODAY-AXFHLTTASA-N 2 1 239.319 0.250 20 0 BCADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)C[NH3+] ZINC000714848084 712501777 /nfs/dbraw/zinc/50/17/77/712501777.db2.gz OSQDRJORONGQFM-UTUOFQBUSA-N 2 1 212.337 0.674 20 0 BCADMP CCOC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714994937 712503102 /nfs/dbraw/zinc/50/31/02/712503102.db2.gz MBHFHWVIILXGOG-YNEHKIRRSA-N 2 1 242.363 0.458 20 0 BCADMP CC(C)[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037612331 712679317 /nfs/dbraw/zinc/67/93/17/712679317.db2.gz DCGPAWQMRVIRLN-UHFFFAOYSA-N 2 1 239.363 0.539 20 0 BCADMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717974275 712734499 /nfs/dbraw/zinc/73/44/99/712734499.db2.gz JDAQXNRYFTVBHO-OUAUKWLOSA-N 2 1 225.336 0.324 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717984395 712735151 /nfs/dbraw/zinc/73/51/51/712735151.db2.gz LGWUUPXPMHYVPF-AXFHLTTASA-N 2 1 227.352 0.428 20 0 BCADMP C[C@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCC[NH2+]C1 ZINC000718159289 712749739 /nfs/dbraw/zinc/74/97/39/712749739.db2.gz IOYYOKLJHAJOGY-XQQFMLRXSA-N 2 1 224.348 0.954 20 0 BCADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719364739 712806272 /nfs/dbraw/zinc/80/62/72/712806272.db2.gz GSOXXUXUIXEJAH-DTWKUNHWSA-N 2 1 221.308 0.872 20 0 BCADMP C[C@@H]1[C@H](NC[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000719640690 712818961 /nfs/dbraw/zinc/81/89/61/712818961.db2.gz KYFVFYGXQDJKKD-FRRDWIJNSA-N 2 1 241.379 0.125 20 0 BCADMP COC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720743310 712863032 /nfs/dbraw/zinc/86/30/32/712863032.db2.gz WMELVIOMOZDENZ-NXEZZACHSA-N 2 1 200.326 0.938 20 0 BCADMP COC[C@H](C)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720743310 712863034 /nfs/dbraw/zinc/86/30/34/712863034.db2.gz WMELVIOMOZDENZ-NXEZZACHSA-N 2 1 200.326 0.938 20 0 BCADMP COCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720871891 712872662 /nfs/dbraw/zinc/87/26/62/712872662.db2.gz MSPBVRRTILOCAD-YUMQZZPRSA-N 2 1 226.242 0.702 20 0 BCADMP COCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720871891 712872666 /nfs/dbraw/zinc/87/26/66/712872666.db2.gz MSPBVRRTILOCAD-YUMQZZPRSA-N 2 1 226.242 0.702 20 0 BCADMP COCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720871886 712872817 /nfs/dbraw/zinc/87/28/17/712872817.db2.gz MSPBVRRTILOCAD-JGVFFNPUSA-N 2 1 226.242 0.702 20 0 BCADMP COCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720871886 712872818 /nfs/dbraw/zinc/87/28/18/712872818.db2.gz MSPBVRRTILOCAD-JGVFFNPUSA-N 2 1 226.242 0.702 20 0 BCADMP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720900788 712875156 /nfs/dbraw/zinc/87/51/56/712875156.db2.gz QTKCCNNRRIXYSY-VWYCJHECSA-N 2 1 225.336 0.419 20 0 BCADMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720898673 712875444 /nfs/dbraw/zinc/87/54/44/712875444.db2.gz KQCQDSXKIWEKQG-QJPTWQEYSA-N 2 1 239.363 0.809 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901577 712876103 /nfs/dbraw/zinc/87/61/03/712876103.db2.gz SKBYMJGOXKRRLJ-JHJVBQTASA-N 2 1 249.358 0.729 20 0 BCADMP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720897467 712876517 /nfs/dbraw/zinc/87/65/17/712876517.db2.gz HSURDQRJWJVYGB-RYUDHWBXSA-N 2 1 239.363 0.680 20 0 BCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907456 712877450 /nfs/dbraw/zinc/87/74/50/712877450.db2.gz OYVWUNCLFJCTCI-QWRGUYRKSA-N 2 1 237.347 0.563 20 0 BCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907457 712877572 /nfs/dbraw/zinc/87/75/72/712877572.db2.gz OYVWUNCLFJCTCI-WDEREUQCSA-N 2 1 237.347 0.563 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CC(N)=O)C1CCCC1 ZINC000721039564 712887902 /nfs/dbraw/zinc/88/79/02/712887902.db2.gz IRMVHWNSAIBRIN-MNOVXSKESA-N 2 1 239.363 0.572 20 0 BCADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000721039564 712887904 /nfs/dbraw/zinc/88/79/04/712887904.db2.gz IRMVHWNSAIBRIN-MNOVXSKESA-N 2 1 239.363 0.572 20 0 BCADMP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063960 712889506 /nfs/dbraw/zinc/88/95/06/712889506.db2.gz QPKXUGUJSUGLLP-VWYCJHECSA-N 2 1 227.352 0.156 20 0 BCADMP Cc1nonc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000384004271 712891406 /nfs/dbraw/zinc/89/14/06/712891406.db2.gz NHLRJZZJEATCHC-PHIMTYICSA-N 2 1 236.319 0.809 20 0 BCADMP